data_18728 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18728 _Entry.PDB_ID 2LYV save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 18728 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 5 5 GLU N N 5 122.509 122.509 125.669 -3.160 18728 2 1 1 . 1 1 5 5 GLU HA H 5 4.345 4.345 4.610 -0.265 18728 3 1 1 . 1 1 5 5 GLU C C 5 176.240 176.240 174.864 1.376 18728 4 1 1 . 1 1 5 5 GLU CA C 5 56.190 56.190 56.130 0.060 18728 5 1 1 . 1 1 5 5 GLU CB C 5 30.611 30.611 32.357 -1.746 18728 6 1 1 . 1 1 5 5 GLU H H 5 8.321 8.321 7.885 0.436 18728 7 1 1 . 1 1 6 6 SER N N 6 118.728 118.728 118.905 -0.177 18728 8 1 1 . 1 1 6 6 SER HA H 6 4.342 4.342 4.892 -0.550 18728 9 1 1 . 1 1 6 6 SER CA C 6 56.305 56.305 56.409 -0.104 18728 10 1 1 . 1 1 6 6 SER CB C 6 63.241 63.241 64.070 -0.829 18728 11 1 1 . 1 1 6 6 SER H H 6 8.349 8.349 8.382 -0.033 18728 12 1 1 . 1 1 7 7 PRO HA H 7 4.427 4.427 4.663 -0.236 18728 13 1 1 . 1 1 7 7 PRO C C 7 177.027 177.027 175.914 1.113 18728 14 1 1 . 1 1 7 7 PRO CA C 7 63.271 63.271 62.886 0.385 18728 15 1 1 . 1 1 7 7 PRO CB C 7 32.111 32.111 33.347 -1.236 18728 16 1 1 . 1 1 8 8 LYS N N 8 121.819 121.819 121.095 0.724 18728 17 1 1 . 1 1 8 8 LYS HA H 8 4.290 4.290 4.393 -0.103 18728 18 1 1 . 1 1 8 8 LYS C C 8 177.015 177.015 176.096 0.919 18728 19 1 1 . 1 1 8 8 LYS CA C 8 56.455 56.455 56.691 -0.236 18728 20 1 1 . 1 1 8 8 LYS CB C 8 33.341 33.341 33.154 0.187 18728 21 1 1 . 1 1 8 8 LYS H H 8 8.445 8.445 8.594 -0.149 18728 22 1 1 . 1 1 9 9 GLU N N 9 121.243 121.243 120.949 0.294 18728 23 1 1 . 1 1 9 9 GLU HA H 9 4.606 4.606 4.655 -0.049 18728 24 1 1 . 1 1 9 9 GLU CA C 9 54.480 54.480 53.755 0.725 18728 25 1 1 . 1 1 9 9 GLU CB C 9 29.572 29.572 29.589 -0.017 18728 26 1 1 . 1 1 9 9 GLU H H 9 8.313 8.313 7.827 0.486 18728 27 1 1 . 1 1 10 10 PRO HA H 10 4.335 4.335 4.388 -0.053 18728 28 1 1 . 1 1 10 10 PRO C C 10 177.491 177.491 178.126 -0.635 18728 29 1 1 . 1 1 10 10 PRO CA C 10 63.587 63.587 62.712 0.875 18728 30 1 1 . 1 1 10 10 PRO CB C 10 32.374 32.374 32.810 -0.436 18728 31 1 1 . 1 1 11 11 GLU N N 11 123.071 123.071 120.894 2.177 18728 32 1 1 . 1 1 11 11 GLU HA H 11 3.686 3.686 3.873 -0.187 18728 33 1 1 . 1 1 11 11 GLU C C 11 177.984 177.984 178.044 -0.060 18728 34 1 1 . 1 1 11 11 GLU CA C 11 59.651 59.651 59.693 -0.042 18728 35 1 1 . 1 1 11 11 GLU CB C 11 29.819 29.819 28.849 0.970 18728 36 1 1 . 1 1 11 11 GLU H H 11 8.692 8.692 8.804 -0.112 18728 37 1 1 . 1 1 12 12 GLN N N 12 116.079 116.079 116.980 -0.901 18728 38 1 1 . 1 1 12 12 GLN HA H 12 3.979 3.979 4.193 -0.214 18728 39 1 1 . 1 1 12 12 GLN C C 12 177.579 177.579 177.803 -0.224 18728 40 1 1 . 1 1 12 12 GLN CA C 12 58.526 58.526 58.104 0.422 18728 41 1 1 . 1 1 12 12 GLN CB C 12 28.112 28.112 28.173 -0.061 18728 42 1 1 . 1 1 12 12 GLN H H 12 8.647 8.647 8.539 0.108 18728 43 1 1 . 1 1 13 13 LEU N N 13 116.530 116.530 118.898 -2.368 18728 44 1 1 . 1 1 13 13 LEU HA H 13 4.264 4.264 4.438 -0.174 18728 45 1 1 . 1 1 13 13 LEU C C 13 177.080 177.080 176.421 0.659 18728 46 1 1 . 1 1 13 13 LEU CA C 13 55.945 55.945 55.701 0.244 18728 47 1 1 . 1 1 13 13 LEU CB C 13 42.317 42.317 42.427 -0.110 18728 48 1 1 . 1 1 13 13 LEU H H 13 7.471 7.471 7.833 -0.362 18728 49 1 1 . 1 1 14 14 ARG N N 14 116.981 116.981 113.967 3.014 18728 50 1 1 . 1 1 14 14 ARG HA H 14 4.417 4.417 4.513 -0.096 18728 51 1 1 . 1 1 14 14 ARG C C 14 172.996 172.996 175.706 -2.710 18728 52 1 1 . 1 1 14 14 ARG CA C 14 56.067 56.067 55.737 0.330 18728 53 1 1 . 1 1 14 14 ARG CB C 14 29.944 29.944 31.518 -1.574 18728 54 1 1 . 1 1 14 14 ARG H H 14 7.576 7.576 7.640 -0.064 18728 55 1 1 . 1 1 15 15 LYS N N 15 119.990 119.990 122.457 -2.467 18728 56 1 1 . 1 1 15 15 LYS HA H 15 5.198 5.198 5.149 0.049 18728 57 1 1 . 1 1 15 15 LYS CA C 15 55.301 55.301 55.425 -0.124 18728 58 1 1 . 1 1 15 15 LYS CB C 15 35.888 35.888 35.352 0.536 18728 59 1 1 . 1 1 15 15 LYS H H 15 6.946 6.946 8.112 -1.166 18728 60 1 1 . 1 1 16 16 LEU N N 16 126.081 126.081 124.138 1.943 18728 61 1 1 . 1 1 16 16 LEU HA H 16 5.016 5.016 5.255 -0.239 18728 62 1 1 . 1 1 16 16 LEU C C 16 176.309 176.309 175.678 0.631 18728 63 1 1 . 1 1 16 16 LEU CA C 16 53.334 53.334 53.096 0.237 18728 64 1 1 . 1 1 16 16 LEU CB C 16 45.062 45.062 45.515 -0.453 18728 65 1 1 . 1 1 16 16 LEU H H 16 9.605 9.605 9.080 0.525 18728 66 1 1 . 1 1 17 17 PHE N N 17 123.569 123.569 124.810 -1.241 18728 67 1 1 . 1 1 17 17 PHE HA H 17 4.585 4.585 5.225 -0.640 18728 68 1 1 . 1 1 17 17 PHE C C 17 174.362 174.362 173.986 0.376 18728 69 1 1 . 1 1 17 17 PHE CA C 17 57.153 57.153 56.016 1.137 18728 70 1 1 . 1 1 17 17 PHE CB C 17 40.603 40.603 41.303 -0.700 18728 71 1 1 . 1 1 17 17 PHE H H 17 9.023 9.023 9.365 -0.342 18728 72 1 1 . 1 1 18 18 ILE N N 18 126.932 126.932 128.042 -1.110 18728 73 1 1 . 1 1 18 18 ILE HA H 18 4.029 4.029 4.303 -0.274 18728 74 1 1 . 1 1 18 18 ILE C C 18 173.832 173.832 174.848 -1.016 18728 75 1 1 . 1 1 18 18 ILE CA C 18 59.156 59.156 58.002 1.154 18728 76 1 1 . 1 1 18 18 ILE CB C 18 36.909 36.909 37.001 -0.092 18728 77 1 1 . 1 1 18 18 ILE H H 18 8.486 8.486 8.668 -0.182 18728 78 1 1 . 1 1 19 19 GLY N N 19 112.953 112.953 112.510 0.443 18728 79 1 1 . 1 1 19 19 GLY C C 19 174.426 174.426 173.864 0.562 18728 80 1 1 . 1 1 19 19 GLY CA C 19 43.611 43.611 43.105 0.506 18728 81 1 1 . 1 1 19 19 GLY H H 19 7.948 7.948 8.653 -0.705 18728 82 1 1 . 1 1 20 20 GLY N N 20 107.584 107.584 110.724 -3.140 18728 83 1 1 . 1 1 20 20 GLY C C 20 175.563 175.563 174.494 1.069 18728 84 1 1 . 1 1 20 20 GLY CA C 20 46.530 46.530 45.162 1.368 18728 85 1 1 . 1 1 20 20 GLY H H 20 8.542 8.542 8.141 0.401 18728 86 1 1 . 1 1 21 21 LEU N N 21 115.232 115.232 119.340 -4.108 18728 87 1 1 . 1 1 21 21 LEU HA H 21 4.025 4.025 4.220 -0.195 18728 88 1 1 . 1 1 21 21 LEU C C 21 179.121 179.121 176.613 2.508 18728 89 1 1 . 1 1 21 21 LEU CA C 21 54.192 54.192 54.438 -0.246 18728 90 1 1 . 1 1 21 21 LEU CB C 21 42.892 42.892 42.605 0.287 18728 91 1 1 . 1 1 21 21 LEU H H 21 7.472 7.472 8.135 -0.663 18728 92 1 1 . 1 1 22 22 SER N N 22 114.737 114.737 114.415 0.322 18728 93 1 1 . 1 1 22 22 SER HA H 22 4.125 4.125 4.521 -0.396 18728 94 1 1 . 1 1 22 22 SER C C 22 177.842 177.842 176.289 1.553 18728 95 1 1 . 1 1 22 22 SER CA C 22 57.635 57.635 56.883 0.752 18728 96 1 1 . 1 1 22 22 SER CB C 22 63.106 63.106 64.353 -1.247 18728 97 1 1 . 1 1 22 22 SER H H 22 9.136 9.136 8.016 1.120 18728 98 1 1 . 1 1 23 23 PHE N N 23 128.194 128.194 123.533 4.661 18728 99 1 1 . 1 1 23 23 PHE HA H 23 4.307 4.307 4.535 -0.228 18728 100 1 1 . 1 1 23 23 PHE C C 23 175.626 175.626 175.127 0.499 18728 101 1 1 . 1 1 23 23 PHE CA C 23 60.205 60.205 59.579 0.626 18728 102 1 1 . 1 1 23 23 PHE CB C 23 37.570 37.570 39.424 -1.854 18728 103 1 1 . 1 1 23 23 PHE H H 23 9.034 9.034 9.123 -0.089 18728 104 1 1 . 1 1 24 24 GLU N N 24 116.093 116.093 115.639 0.454 18728 105 1 1 . 1 1 24 24 GLU HA H 24 4.255 4.255 4.483 -0.228 18728 106 1 1 . 1 1 24 24 GLU C C 24 177.429 177.429 175.285 2.144 18728 107 1 1 . 1 1 24 24 GLU CA C 24 56.522 56.522 54.901 1.621 18728 108 1 1 . 1 1 24 24 GLU CB C 24 29.980 29.980 30.554 -0.574 18728 109 1 1 . 1 1 24 24 GLU H H 24 8.295 8.295 7.517 0.778 18728 110 1 1 . 1 1 25 25 THR N N 25 118.836 118.836 117.820 1.016 18728 111 1 1 . 1 1 25 25 THR HA H 25 4.091 4.091 4.390 -0.299 18728 112 1 1 . 1 1 25 25 THR C C 25 174.238 174.238 174.249 -0.011 18728 113 1 1 . 1 1 25 25 THR CA C 25 64.862 64.862 64.538 0.324 18728 114 1 1 . 1 1 25 25 THR CB C 25 68.584 68.584 69.347 -0.763 18728 115 1 1 . 1 1 25 25 THR H H 25 7.280 7.280 7.363 -0.083 18728 116 1 1 . 1 1 26 26 THR N N 26 119.434 119.434 117.983 1.451 18728 117 1 1 . 1 1 26 26 THR HA H 26 4.484 4.484 4.544 -0.060 18728 118 1 1 . 1 1 26 26 THR C C 26 174.563 174.563 175.304 -0.741 18728 119 1 1 . 1 1 26 26 THR CA C 26 59.361 59.361 59.389 -0.028 18728 120 1 1 . 1 1 26 26 THR CB C 26 72.727 72.727 71.633 1.094 18728 121 1 1 . 1 1 26 26 THR H H 26 8.447 8.447 8.050 0.397 18728 122 1 1 . 1 1 27 27 ASP N N 27 120.342 120.342 121.923 -1.581 18728 123 1 1 . 1 1 27 27 ASP HA H 27 3.920 3.920 4.306 -0.386 18728 124 1 1 . 1 1 27 27 ASP C C 27 178.347 178.347 177.800 0.547 18728 125 1 1 . 1 1 27 27 ASP CA C 27 58.148 58.148 57.203 0.945 18728 126 1 1 . 1 1 27 27 ASP CB C 27 39.954 39.954 40.403 -0.449 18728 127 1 1 . 1 1 27 27 ASP H H 27 8.794 8.794 8.836 -0.042 18728 128 1 1 . 1 1 28 28 GLU N N 28 116.494 116.494 119.708 -3.214 18728 129 1 1 . 1 1 28 28 GLU HA H 28 3.993 3.993 4.026 -0.033 18728 130 1 1 . 1 1 28 28 GLU C C 28 178.987 178.987 178.612 0.375 18728 131 1 1 . 1 1 28 28 GLU CA C 28 60.281 60.281 59.157 1.123 18728 132 1 1 . 1 1 28 28 GLU CB C 28 29.193 29.193 28.850 0.343 18728 133 1 1 . 1 1 28 28 GLU H H 28 8.444 8.444 8.753 -0.309 18728 134 1 1 . 1 1 29 29 SER N N 29 120.532 120.532 116.059 4.473 18728 135 1 1 . 1 1 29 29 SER HA H 29 4.333 4.333 4.291 0.042 18728 136 1 1 . 1 1 29 29 SER C C 29 178.125 178.125 176.720 1.405 18728 137 1 1 . 1 1 29 29 SER CA C 29 61.720 61.720 60.777 0.943 18728 138 1 1 . 1 1 29 29 SER H H 29 8.384 8.384 7.424 0.960 18728 139 1 1 . 1 1 30 30 LEU N N 30 126.754 126.754 123.610 3.144 18728 140 1 1 . 1 1 30 30 LEU HA H 30 4.080 4.080 4.177 -0.097 18728 141 1 1 . 1 1 30 30 LEU C C 30 178.341 178.341 177.901 0.440 18728 142 1 1 . 1 1 30 30 LEU CA C 30 58.073 58.073 57.802 0.271 18728 143 1 1 . 1 1 30 30 LEU CB C 30 42.524 42.524 41.692 0.832 18728 144 1 1 . 1 1 30 30 LEU H H 30 8.487 8.487 8.162 0.325 18728 145 1 1 . 1 1 31 31 ARG N N 31 121.192 121.192 119.359 1.833 18728 146 1 1 . 1 1 31 31 ARG HA H 31 3.863 3.863 3.886 -0.023 18728 147 1 1 . 1 1 31 31 ARG C C 31 177.765 177.765 178.271 -0.506 18728 148 1 1 . 1 1 31 31 ARG CA C 31 59.706 59.706 60.116 -0.410 18728 149 1 1 . 1 1 31 31 ARG CB C 31 30.648 30.648 30.042 0.606 18728 150 1 1 . 1 1 31 31 ARG H H 31 7.980 7.980 8.559 -0.579 18728 151 1 1 . 1 1 32 32 SER N N 32 112.868 112.868 113.505 -0.637 18728 152 1 1 . 1 1 32 32 SER HA H 32 4.104 4.104 4.223 -0.119 18728 153 1 1 . 1 1 32 32 SER C C 32 176.416 176.416 175.934 0.482 18728 154 1 1 . 1 1 32 32 SER CA C 32 61.437 61.437 61.631 -0.194 18728 155 1 1 . 1 1 32 32 SER CB C 32 62.933 62.933 62.832 0.101 18728 156 1 1 . 1 1 32 32 SER H H 32 8.295 8.295 7.972 0.323 18728 157 1 1 . 1 1 33 33 HIS N N 33 115.910 115.910 120.023 -4.113 18728 158 1 1 . 1 1 33 33 HIS HA H 33 4.346 4.346 4.406 -0.060 18728 159 1 1 . 1 1 33 33 HIS C C 33 177.510 177.510 178.167 -0.657 18728 160 1 1 . 1 1 33 33 HIS CA C 33 60.373 60.373 59.618 0.755 18728 161 1 1 . 1 1 33 33 HIS CB C 33 30.776 30.776 30.425 0.351 18728 162 1 1 . 1 1 33 33 HIS H H 33 7.406 7.406 7.764 -0.358 18728 163 1 1 . 1 1 34 34 PHE N N 34 113.562 113.562 119.093 -5.531 18728 164 1 1 . 1 1 34 34 PHE HA H 34 4.526 4.526 4.808 -0.282 18728 165 1 1 . 1 1 34 34 PHE C C 34 179.061 179.061 178.189 0.872 18728 166 1 1 . 1 1 34 34 PHE CA C 34 64.104 64.104 61.562 2.542 18728 167 1 1 . 1 1 34 34 PHE CB C 34 38.379 38.379 39.052 -0.673 18728 168 1 1 . 1 1 34 34 PHE H H 34 8.227 8.227 8.278 -0.051 18728 169 1 1 . 1 1 35 35 GLU N N 35 124.490 124.490 120.274 4.216 18728 170 1 1 . 1 1 35 35 GLU HA H 35 4.962 4.962 4.447 0.515 18728 171 1 1 . 1 1 35 35 GLU C C 35 176.476 176.476 177.606 -1.130 18728 172 1 1 . 1 1 35 35 GLU CA C 35 57.950 57.950 58.017 -0.066 18728 173 1 1 . 1 1 35 35 GLU CB C 35 28.690 28.690 29.236 -0.546 18728 174 1 1 . 1 1 35 35 GLU H H 35 9.219 9.219 8.635 0.584 18728 175 1 1 . 1 1 36 36 GLN N N 36 116.596 116.596 117.542 -0.946 18728 176 1 1 . 1 1 36 36 GLN HA H 36 3.706 3.706 3.950 -0.244 18728 177 1 1 . 1 1 36 36 GLN C C 36 176.486 176.486 177.293 -0.807 18728 178 1 1 . 1 1 36 36 GLN CA C 36 58.206 58.206 57.711 0.495 18728 179 1 1 . 1 1 36 36 GLN CB C 36 27.731 27.731 28.262 -0.531 18728 180 1 1 . 1 1 36 36 GLN H H 36 7.011 7.011 7.557 -0.546 18728 181 1 1 . 1 1 37 37 TRP N N 37 114.690 114.690 117.227 -2.537 18728 182 1 1 . 1 1 37 37 TRP HA H 37 4.481 4.481 4.867 -0.386 18728 183 1 1 . 1 1 37 37 TRP C C 37 173.662 173.662 176.447 -2.785 18728 184 1 1 . 1 1 37 37 TRP CA C 37 61.557 61.557 58.512 3.045 18728 185 1 1 . 1 1 37 37 TRP CB C 37 29.074 29.074 31.280 -2.206 18728 186 1 1 . 1 1 37 37 TRP H H 37 7.017 7.017 7.939 -0.922 18728 187 1 1 . 1 1 38 38 GLY N N 38 105.060 105.060 104.062 0.998 18728 188 1 1 . 1 1 38 38 GLY C C 38 171.596 171.596 172.358 -0.762 18728 189 1 1 . 1 1 38 38 GLY CA C 38 45.545 45.545 44.908 0.637 18728 190 1 1 . 1 1 38 38 GLY H H 38 7.294 7.294 7.632 -0.338 18728 191 1 1 . 1 1 39 39 THR N N 39 117.179 117.179 117.907 -0.728 18728 192 1 1 . 1 1 39 39 THR HA H 39 4.231 4.231 4.247 -0.016 18728 193 1 1 . 1 1 39 39 THR C C 39 173.760 173.760 174.039 -0.279 18728 194 1 1 . 1 1 39 39 THR CA C 39 62.904 62.904 64.216 -1.312 18728 195 1 1 . 1 1 39 39 THR CB C 39 69.813 69.813 68.775 1.038 18728 196 1 1 . 1 1 39 39 THR H H 39 8.770 8.770 8.467 0.303 18728 197 1 1 . 1 1 40 40 LEU N N 40 126.702 126.702 128.625 -1.923 18728 198 1 1 . 1 1 40 40 LEU HA H 40 4.943 4.943 4.670 0.273 18728 199 1 1 . 1 1 40 40 LEU C C 40 178.358 178.358 178.105 0.253 18728 200 1 1 . 1 1 40 40 LEU CA C 40 52.969 52.969 54.192 -1.223 18728 201 1 1 . 1 1 40 40 LEU CB C 40 41.893 41.893 42.607 -0.714 18728 202 1 1 . 1 1 40 40 LEU H H 40 8.831 8.831 8.665 0.166 18728 203 1 1 . 1 1 41 41 THR N N 41 117.175 117.175 115.757 1.418 18728 204 1 1 . 1 1 41 41 THR HA H 41 4.197 4.197 4.323 -0.126 18728 205 1 1 . 1 1 41 41 THR C C 41 175.050 175.050 174.501 0.549 18728 206 1 1 . 1 1 41 41 THR CA C 41 62.668 62.668 62.677 -0.009 18728 207 1 1 . 1 1 41 41 THR CB C 41 67.618 67.618 69.683 -2.066 18728 208 1 1 . 1 1 41 41 THR H H 41 8.926 8.926 8.960 -0.034 18728 209 1 1 . 1 1 42 42 ASP N N 42 118.764 118.764 120.978 -2.214 18728 210 1 1 . 1 1 42 42 ASP HA H 42 4.620 4.620 4.812 -0.192 18728 211 1 1 . 1 1 42 42 ASP C C 42 174.637 174.637 173.777 0.860 18728 212 1 1 . 1 1 42 42 ASP CA C 42 54.235 54.235 54.238 -0.003 18728 213 1 1 . 1 1 42 42 ASP CB C 42 44.253 44.253 44.074 0.179 18728 214 1 1 . 1 1 42 42 ASP H H 42 7.513 7.513 7.829 -0.316 18728 215 1 1 . 1 1 43 43 CYS N N 43 123.632 123.632 122.271 1.361 18728 216 1 1 . 1 1 43 43 CYS HA H 43 4.842 4.842 5.418 -0.577 18728 217 1 1 . 1 1 43 43 CYS C C 43 171.885 171.885 172.496 -0.611 18728 218 1 1 . 1 1 43 43 CYS CA C 43 59.376 59.376 57.681 1.696 18728 219 1 1 . 1 1 43 43 CYS CB C 43 26.377 26.377 30.318 -3.941 18728 220 1 1 . 1 1 43 43 CYS H H 43 8.436 8.436 8.527 -0.091 18728 221 1 1 . 1 1 44 44 VAL N N 44 126.787 126.787 127.526 -0.739 18728 222 1 1 . 1 1 44 44 VAL HA H 44 4.576 4.576 4.482 0.094 18728 223 1 1 . 1 1 44 44 VAL C C 44 173.371 173.371 173.541 -0.170 18728 224 1 1 . 1 1 44 44 VAL CA C 44 60.151 60.151 60.703 -0.552 18728 225 1 1 . 1 1 44 44 VAL CB C 44 36.424 36.424 36.147 0.278 18728 226 1 1 . 1 1 44 44 VAL H H 44 8.737 8.737 9.187 -0.450 18728 227 1 1 . 1 1 45 45 VAL N N 45 125.522 125.522 129.068 -3.546 18728 228 1 1 . 1 1 45 45 VAL HA H 45 3.711 3.711 3.882 -0.171 18728 229 1 1 . 1 1 45 45 VAL C C 45 176.674 176.674 175.368 1.306 18728 230 1 1 . 1 1 45 45 VAL CA C 45 62.509 62.509 62.386 0.123 18728 231 1 1 . 1 1 45 45 VAL CB C 45 33.175 33.175 32.477 0.698 18728 232 1 1 . 1 1 45 45 VAL H H 45 8.269 8.269 8.444 -0.175 18728 233 1 1 . 1 1 46 46 MET N N 46 126.833 126.833 127.635 -0.802 18728 234 1 1 . 1 1 46 46 MET HA H 46 4.441 4.441 4.264 0.177 18728 235 1 1 . 1 1 46 46 MET C C 46 175.413 175.413 174.975 0.438 18728 236 1 1 . 1 1 46 46 MET CA C 46 54.852 54.852 54.555 0.297 18728 237 1 1 . 1 1 46 46 MET CB C 46 30.454 30.454 29.759 0.696 18728 238 1 1 . 1 1 46 46 MET H H 46 8.445 8.445 8.229 0.216 18728 239 1 1 . 1 1 47 47 ARG N N 47 120.697 120.697 123.311 -2.614 18728 240 1 1 . 1 1 47 47 ARG HA H 47 4.838 4.838 4.733 0.105 18728 241 1 1 . 1 1 47 47 ARG CA C 47 54.308 54.308 54.486 -0.178 18728 242 1 1 . 1 1 47 47 ARG CB C 47 34.048 34.048 32.401 1.647 18728 243 1 1 . 1 1 47 47 ARG H H 47 8.308 8.308 7.857 0.451 18728 244 1 1 . 1 1 48 48 ASP N N 48 125.146 125.146 122.180 2.966 18728 245 1 1 . 1 1 48 48 ASP HA H 48 4.686 4.686 4.841 -0.155 18728 246 1 1 . 1 1 48 48 ASP C C 48 176.046 176.046 175.994 0.052 18728 247 1 1 . 1 1 48 48 ASP CA C 48 52.106 52.106 51.671 0.435 18728 248 1 1 . 1 1 48 48 ASP CB C 48 42.878 42.878 41.787 1.091 18728 249 1 1 . 1 1 48 48 ASP H H 48 8.577 8.577 8.529 0.048 18728 250 1 1 . 1 1 49 49 PRO HA H 49 4.310 4.310 4.362 -0.052 18728 251 1 1 . 1 1 49 49 PRO C C 49 177.166 177.166 176.549 0.617 18728 252 1 1 . 1 1 49 49 PRO CA C 49 64.584 64.584 63.916 0.668 18728 253 1 1 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.063 0.073 18728 254 1 1 . 1 1 50 50 ASN N N 50 115.474 115.474 115.687 -0.213 18728 255 1 1 . 1 1 50 50 ASN HA H 50 4.723 4.723 4.647 0.076 18728 256 1 1 . 1 1 50 50 ASN C C 50 176.642 176.642 176.358 0.284 18728 257 1 1 . 1 1 50 50 ASN CA C 50 55.444 55.444 54.966 0.478 18728 258 1 1 . 1 1 50 50 ASN CB C 50 39.455 39.455 39.557 -0.102 18728 259 1 1 . 1 1 50 50 ASN H H 50 8.560 8.560 8.241 0.319 18728 260 1 1 . 1 1 51 51 THR N N 51 108.788 108.788 112.419 -3.631 18728 261 1 1 . 1 1 51 51 THR HA H 51 4.264 4.264 4.506 -0.242 18728 262 1 1 . 1 1 51 51 THR C C 51 176.018 176.018 173.825 2.193 18728 263 1 1 . 1 1 51 51 THR CA C 51 62.063 62.063 62.285 -0.222 18728 264 1 1 . 1 1 51 51 THR CB C 51 70.768 70.768 70.439 0.329 18728 265 1 1 . 1 1 51 51 THR H H 51 8.277 8.277 8.799 -0.522 18728 266 1 1 . 1 1 52 52 LYS N N 52 114.615 114.615 117.405 -2.790 18728 267 1 1 . 1 1 52 52 LYS HA H 52 3.917 3.917 4.114 -0.197 18728 268 1 1 . 1 1 52 52 LYS C C 52 175.376 175.376 175.191 0.185 18728 269 1 1 . 1 1 52 52 LYS CA C 52 57.902 57.902 56.966 0.936 18728 270 1 1 . 1 1 52 52 LYS CB C 52 29.293 29.293 29.745 -0.452 18728 271 1 1 . 1 1 52 52 LYS H H 52 8.091 8.091 7.989 0.102 18728 272 1 1 . 1 1 53 53 ARG N N 53 120.395 120.395 116.600 3.795 18728 273 1 1 . 1 1 53 53 ARG HA H 53 4.169 4.169 4.370 -0.201 18728 274 1 1 . 1 1 53 53 ARG C C 53 176.619 176.619 175.696 0.923 18728 275 1 1 . 1 1 53 53 ARG CA C 53 56.233 56.233 52.898 3.335 18728 276 1 1 . 1 1 53 53 ARG CB C 53 31.045 31.045 32.216 -1.171 18728 277 1 1 . 1 1 53 53 ARG H H 53 7.847 7.847 7.573 0.274 18728 278 1 1 . 1 1 54 54 SER N N 54 116.987 116.987 116.765 0.222 18728 279 1 1 . 1 1 54 54 SER HA H 54 4.186 4.186 4.278 -0.092 18728 280 1 1 . 1 1 54 54 SER C C 54 175.755 175.755 175.017 0.738 18728 281 1 1 . 1 1 54 54 SER CA C 54 58.559 58.559 59.262 -0.703 18728 282 1 1 . 1 1 54 54 SER CB C 54 63.922 63.922 63.276 0.646 18728 283 1 1 . 1 1 54 54 SER H H 54 8.810 8.810 7.789 1.021 18728 284 1 1 . 1 1 55 55 ARG N N 55 123.427 123.427 125.371 -1.944 18728 285 1 1 . 1 1 55 55 ARG HA H 55 4.403 4.403 4.331 0.072 18728 286 1 1 . 1 1 55 55 ARG C C 55 177.962 177.962 176.687 1.275 18728 287 1 1 . 1 1 55 55 ARG CA C 55 56.096 56.096 56.085 0.011 18728 288 1 1 . 1 1 55 55 ARG CB C 55 31.294 31.294 30.178 1.116 18728 289 1 1 . 1 1 55 55 ARG H H 55 8.976 8.976 8.542 0.434 18728 290 1 1 . 1 1 56 56 GLY N N 56 107.308 107.308 106.330 0.978 18728 291 1 1 . 1 1 56 56 GLY C C 56 171.856 171.856 173.777 -1.921 18728 292 1 1 . 1 1 56 56 GLY CA C 56 45.669 45.669 45.251 0.418 18728 293 1 1 . 1 1 56 56 GLY H H 56 9.375 9.375 8.543 0.832 18728 294 1 1 . 1 1 57 57 PHE N N 57 112.537 112.537 114.897 -2.360 18728 295 1 1 . 1 1 57 57 PHE HA H 57 5.201 5.201 5.425 -0.224 18728 296 1 1 . 1 1 57 57 PHE C C 57 172.646 172.646 173.056 -0.410 18728 297 1 1 . 1 1 57 57 PHE CA C 57 54.918 54.918 55.283 -0.365 18728 298 1 1 . 1 1 57 57 PHE CB C 57 41.743 41.743 40.986 0.757 18728 299 1 1 . 1 1 57 57 PHE H H 57 7.044 7.044 7.145 -0.101 18728 300 1 1 . 1 1 58 58 GLY N N 58 106.816 106.816 106.627 0.189 18728 301 1 1 . 1 1 58 58 GLY C C 58 169.931 169.931 171.165 -1.234 18728 302 1 1 . 1 1 58 58 GLY CA C 58 45.304 45.304 44.632 0.672 18728 303 1 1 . 1 1 58 58 GLY H H 58 8.345 8.345 8.324 0.021 18728 304 1 1 . 1 1 59 59 PHE N N 59 115.179 115.179 115.330 -0.151 18728 305 1 1 . 1 1 59 59 PHE HA H 59 5.645 5.645 5.590 0.055 18728 306 1 1 . 1 1 59 59 PHE C C 59 174.929 174.929 174.244 0.685 18728 307 1 1 . 1 1 59 59 PHE CA C 59 56.541 56.541 56.269 0.272 18728 308 1 1 . 1 1 59 59 PHE CB C 59 43.984 43.984 43.761 0.223 18728 309 1 1 . 1 1 59 59 PHE H H 59 8.903 8.903 8.763 0.140 18728 310 1 1 . 1 1 60 60 VAL N N 60 115.310 115.310 116.333 -1.023 18728 311 1 1 . 1 1 60 60 VAL HA H 60 4.540 4.540 4.873 -0.333 18728 312 1 1 . 1 1 60 60 VAL C C 60 173.246 173.246 174.810 -1.564 18728 313 1 1 . 1 1 60 60 VAL CA C 60 59.421 59.421 60.072 -0.651 18728 314 1 1 . 1 1 60 60 VAL CB C 60 34.678 34.678 33.621 1.057 18728 315 1 1 . 1 1 60 60 VAL H H 60 8.569 8.569 8.937 -0.368 18728 316 1 1 . 1 1 61 61 THR N N 61 120.158 120.158 123.374 -3.216 18728 317 1 1 . 1 1 61 61 THR HA H 61 5.068 5.068 4.920 0.148 18728 318 1 1 . 1 1 61 61 THR C C 61 173.985 173.985 173.975 0.010 18728 319 1 1 . 1 1 61 61 THR CA C 61 61.033 61.033 62.017 -0.984 18728 320 1 1 . 1 1 61 61 THR CB C 61 70.114 70.114 69.883 0.231 18728 321 1 1 . 1 1 61 61 THR H H 61 8.180 8.180 8.990 -0.810 18728 322 1 1 . 1 1 62 62 TYR N N 62 125.280 125.280 127.270 -1.990 18728 323 1 1 . 1 1 62 62 TYR HA H 62 5.357 5.357 4.820 0.537 18728 324 1 1 . 1 1 62 62 TYR C C 62 176.696 176.696 176.059 0.637 18728 325 1 1 . 1 1 62 62 TYR CA C 62 58.297 58.297 58.606 -0.309 18728 326 1 1 . 1 1 62 62 TYR CB C 62 42.217 42.217 40.222 1.995 18728 327 1 1 . 1 1 62 62 TYR H H 62 8.407 8.407 8.908 -0.501 18728 328 1 1 . 1 1 63 63 ALA N N 63 121.648 121.648 122.539 -0.891 18728 329 1 1 . 1 1 63 63 ALA HA H 63 4.052 4.052 4.252 -0.200 18728 330 1 1 . 1 1 63 63 ALA C C 63 178.252 178.252 177.493 0.759 18728 331 1 1 . 1 1 63 63 ALA CA C 63 55.269 55.269 54.375 0.894 18728 332 1 1 . 1 1 63 63 ALA CB C 63 19.068 19.068 19.672 -0.604 18728 333 1 1 . 1 1 63 63 ALA H H 63 8.749 8.749 9.000 -0.251 18728 334 1 1 . 1 1 64 64 THR N N 64 105.238 105.238 111.564 -6.326 18728 335 1 1 . 1 1 64 64 THR HA H 64 4.902 4.902 4.716 0.186 18728 336 1 1 . 1 1 64 64 THR C C 64 174.667 174.667 174.489 0.178 18728 337 1 1 . 1 1 64 64 THR CA C 64 59.184 59.184 60.916 -1.732 18728 338 1 1 . 1 1 64 64 THR CB C 64 73.193 73.193 72.325 0.868 18728 339 1 1 . 1 1 64 64 THR H H 64 7.992 7.992 7.721 0.271 18728 340 1 1 . 1 1 65 65 VAL N N 65 120.939 120.939 123.732 -2.793 18728 341 1 1 . 1 1 65 65 VAL HA H 65 3.670 3.670 3.682 -0.012 18728 342 1 1 . 1 1 65 65 VAL C C 65 177.446 177.446 177.059 0.387 18728 343 1 1 . 1 1 65 65 VAL CA C 65 65.535 65.535 66.231 -0.696 18728 344 1 1 . 1 1 65 65 VAL CB C 65 31.538 31.538 32.074 -0.536 18728 345 1 1 . 1 1 65 65 VAL H H 65 8.968 8.968 8.515 0.453 18728 346 1 1 . 1 1 66 66 GLU N N 66 120.818 120.818 119.115 1.703 18728 347 1 1 . 1 1 66 66 GLU HA H 66 4.045 4.045 3.880 0.165 18728 348 1 1 . 1 1 66 66 GLU C C 66 180.056 180.056 178.801 1.255 18728 349 1 1 . 1 1 66 66 GLU CA C 66 60.430 60.430 60.100 0.330 18728 350 1 1 . 1 1 66 66 GLU CB C 66 28.909 28.909 28.857 0.052 18728 351 1 1 . 1 1 66 66 GLU H H 66 8.686 8.686 8.765 -0.079 18728 352 1 1 . 1 1 67 67 GLU N N 67 120.729 120.729 117.936 2.793 18728 353 1 1 . 1 1 67 67 GLU HA H 67 3.853 3.853 4.060 -0.207 18728 354 1 1 . 1 1 67 67 GLU C C 67 177.040 177.040 178.549 -1.509 18728 355 1 1 . 1 1 67 67 GLU CA C 67 59.391 59.391 59.217 0.174 18728 356 1 1 . 1 1 67 67 GLU CB C 67 29.590 29.590 29.121 0.469 18728 357 1 1 . 1 1 67 67 GLU H H 67 7.487 7.487 7.835 -0.348 18728 358 1 1 . 1 1 68 68 VAL N N 68 118.408 118.408 119.896 -1.488 18728 359 1 1 . 1 1 68 68 VAL HA H 68 3.165 3.165 2.888 0.277 18728 360 1 1 . 1 1 68 68 VAL C C 68 178.293 178.293 177.367 0.926 18728 361 1 1 . 1 1 68 68 VAL CA C 68 66.391 66.391 66.876 -0.485 18728 362 1 1 . 1 1 68 68 VAL CB C 68 31.092 31.092 31.489 -0.397 18728 363 1 1 . 1 1 68 68 VAL H H 68 6.882 6.882 7.095 -0.213 18728 364 1 1 . 1 1 69 69 ASP N N 69 119.356 119.356 119.915 -0.559 18728 365 1 1 . 1 1 69 69 ASP HA H 69 4.128 4.128 4.203 -0.075 18728 366 1 1 . 1 1 69 69 ASP C C 69 178.765 178.765 178.419 0.346 18728 367 1 1 . 1 1 69 69 ASP CA C 69 57.394 57.394 58.008 -0.614 18728 368 1 1 . 1 1 69 69 ASP CB C 69 39.879 39.879 40.548 -0.669 18728 369 1 1 . 1 1 69 69 ASP H H 69 8.109 8.109 8.080 0.029 18728 370 1 1 . 1 1 70 70 ALA N N 70 123.031 123.031 120.839 2.192 18728 371 1 1 . 1 1 70 70 ALA HA H 70 4.070 4.070 4.108 -0.038 18728 372 1 1 . 1 1 70 70 ALA C C 70 180.518 180.518 179.275 1.243 18728 373 1 1 . 1 1 70 70 ALA CA C 70 55.209 55.209 54.957 0.252 18728 374 1 1 . 1 1 70 70 ALA CB C 70 18.104 18.104 18.390 -0.285 18728 375 1 1 . 1 1 70 70 ALA H H 70 7.736 7.736 7.894 -0.158 18728 376 1 1 . 1 1 71 71 ALA N N 71 121.446 121.446 120.483 0.963 18728 377 1 1 . 1 1 71 71 ALA HA H 71 3.034 3.034 3.646 -0.612 18728 378 1 1 . 1 1 71 71 ALA C C 71 182.248 182.248 179.489 2.759 18728 379 1 1 . 1 1 71 71 ALA CA C 71 55.251 55.251 54.261 0.990 18728 380 1 1 . 1 1 71 71 ALA CB C 71 17.976 17.976 18.444 -0.468 18728 381 1 1 . 1 1 71 71 ALA H H 71 8.101 8.101 7.410 0.691 18728 382 1 1 . 1 1 72 72 MET N N 72 118.027 118.027 118.799 -0.772 18728 383 1 1 . 1 1 72 72 MET HA H 72 4.430 4.430 4.137 0.293 18728 384 1 1 . 1 1 72 72 MET C C 72 179.409 179.409 178.936 0.473 18728 385 1 1 . 1 1 72 72 MET CA C 72 56.379 56.379 58.633 -2.254 18728 386 1 1 . 1 1 72 72 MET CB C 72 30.498 30.498 32.042 -1.544 18728 387 1 1 . 1 1 72 72 MET H H 72 8.681 8.681 8.442 0.239 18728 388 1 1 . 1 1 73 73 ASN N N 73 119.415 119.415 117.872 1.543 18728 389 1 1 . 1 1 73 73 ASN HA H 73 4.627 4.627 4.562 0.065 18728 390 1 1 . 1 1 73 73 ASN C C 73 175.014 175.014 176.666 -1.652 18728 391 1 1 . 1 1 73 73 ASN CA C 73 54.323 54.323 55.462 -1.139 18728 392 1 1 . 1 1 73 73 ASN CB C 73 38.468 38.468 38.341 0.127 18728 393 1 1 . 1 1 73 73 ASN H H 73 8.096 8.096 8.625 -0.529 18728 394 1 1 . 1 1 74 74 ALA N N 74 122.253 122.253 121.303 0.950 18728 395 1 1 . 1 1 74 74 ALA HA H 74 4.299 4.299 4.177 0.122 18728 396 1 1 . 1 1 74 74 ALA C C 74 175.305 175.305 177.231 -1.926 18728 397 1 1 . 1 1 74 74 ALA CA C 74 51.273 51.273 51.998 -0.725 18728 398 1 1 . 1 1 74 74 ALA CB C 74 18.922 18.922 18.753 0.169 18728 399 1 1 . 1 1 74 74 ALA H H 74 6.966 6.966 7.332 -0.366 18728 400 1 1 . 1 1 75 75 ARG N N 75 116.833 116.833 119.992 -3.159 18728 401 1 1 . 1 1 75 75 ARG HA H 75 3.608 3.608 4.133 -0.525 18728 402 1 1 . 1 1 75 75 ARG CA C 75 55.086 55.086 54.953 0.133 18728 403 1 1 . 1 1 75 75 ARG CB C 75 30.199 30.199 29.843 0.356 18728 404 1 1 . 1 1 75 75 ARG H H 75 6.749 6.749 7.136 -0.387 18728 405 1 1 . 1 1 76 76 PRO HA H 76 4.434 4.434 4.551 -0.117 18728 406 1 1 . 1 1 76 76 PRO C C 76 175.590 175.590 175.672 -0.082 18728 407 1 1 . 1 1 76 76 PRO CA C 76 61.614 61.614 62.601 -0.987 18728 408 1 1 . 1 1 76 76 PRO CB C 76 34.982 34.982 33.653 1.329 18728 409 1 1 . 1 1 77 77 HIS N N 77 122.039 122.039 118.285 3.754 18728 410 1 1 . 1 1 77 77 HIS HA H 77 4.559 4.559 4.942 -0.383 18728 411 1 1 . 1 1 77 77 HIS C C 77 173.137 173.137 174.375 -1.238 18728 412 1 1 . 1 1 77 77 HIS CA C 77 56.231 56.231 55.580 0.651 18728 413 1 1 . 1 1 77 77 HIS CB C 77 32.909 32.909 34.258 -1.349 18728 414 1 1 . 1 1 77 77 HIS H H 77 9.384 9.384 8.292 1.092 18728 415 1 1 . 1 1 78 78 LYS N N 78 125.607 125.607 123.445 2.162 18728 416 1 1 . 1 1 78 78 LYS HA H 78 4.939 4.939 5.206 -0.267 18728 417 1 1 . 1 1 78 78 LYS C C 78 174.858 174.858 174.190 0.668 18728 418 1 1 . 1 1 78 78 LYS CA C 78 54.755 54.755 55.681 -0.926 18728 419 1 1 . 1 1 78 78 LYS CB C 78 33.475 33.475 34.287 -0.812 18728 420 1 1 . 1 1 78 78 LYS H H 78 8.485 8.485 8.718 -0.233 18728 421 1 1 . 1 1 79 79 VAL N N 79 124.596 124.596 125.221 -0.625 18728 422 1 1 . 1 1 79 79 VAL HA H 79 3.955 3.955 3.733 0.222 18728 423 1 1 . 1 1 79 79 VAL C C 79 176.295 176.295 175.346 0.949 18728 424 1 1 . 1 1 79 79 VAL CA C 79 60.737 60.737 61.241 -0.504 18728 425 1 1 . 1 1 79 79 VAL CB C 79 33.249 33.249 33.379 -0.130 18728 426 1 1 . 1 1 79 79 VAL H H 79 8.581 8.581 8.161 0.420 18728 427 1 1 . 1 1 80 80 ASP N N 80 128.668 128.668 124.619 4.049 18728 428 1 1 . 1 1 80 80 ASP HA H 80 4.228 4.228 4.280 -0.052 18728 429 1 1 . 1 1 80 80 ASP C C 80 175.744 175.744 176.158 -0.414 18728 430 1 1 . 1 1 80 80 ASP CA C 80 55.882 55.882 55.307 0.575 18728 431 1 1 . 1 1 80 80 ASP CB C 80 39.692 39.692 40.112 -0.420 18728 432 1 1 . 1 1 80 80 ASP H H 80 9.553 9.553 9.158 0.395 18728 433 1 1 . 1 1 81 81 GLY N N 81 101.527 101.527 103.187 -1.660 18728 434 1 1 . 1 1 81 81 GLY C C 81 173.560 173.560 173.427 0.133 18728 435 1 1 . 1 1 81 81 GLY CA C 81 45.445 45.445 45.450 -0.006 18728 436 1 1 . 1 1 81 81 GLY H H 81 8.488 8.488 8.604 -0.116 18728 437 1 1 . 1 1 82 82 ARG N N 82 120.493 120.493 119.845 0.648 18728 438 1 1 . 1 1 82 82 ARG HA H 82 4.640 4.640 4.684 -0.044 18728 439 1 1 . 1 1 82 82 ARG C C 82 174.512 174.512 174.874 -0.362 18728 440 1 1 . 1 1 82 82 ARG CA C 82 53.161 53.161 54.085 -0.924 18728 441 1 1 . 1 1 82 82 ARG CB C 82 32.507 32.507 32.916 -0.409 18728 442 1 1 . 1 1 82 82 ARG H H 82 7.555 7.555 7.409 0.146 18728 443 1 1 . 1 1 83 83 VAL N N 83 124.855 124.855 127.460 -2.605 18728 444 1 1 . 1 1 83 83 VAL HA H 83 4.501 4.501 4.434 0.067 18728 445 1 1 . 1 1 83 83 VAL C C 83 176.701 176.701 175.546 1.155 18728 446 1 1 . 1 1 83 83 VAL CA C 83 63.290 63.290 62.264 1.026 18728 447 1 1 . 1 1 83 83 VAL CB C 83 30.867 30.867 30.899 -0.032 18728 448 1 1 . 1 1 83 83 VAL H H 83 8.633 8.633 8.648 -0.015 18728 449 1 1 . 1 1 84 84 VAL N N 84 122.944 122.944 124.482 -1.538 18728 450 1 1 . 1 1 84 84 VAL HA H 84 4.667 4.667 4.899 -0.232 18728 451 1 1 . 1 1 84 84 VAL C C 84 174.969 174.969 174.616 0.353 18728 452 1 1 . 1 1 84 84 VAL CA C 84 59.499 59.499 59.324 0.175 18728 453 1 1 . 1 1 84 84 VAL CB C 84 32.761 32.761 34.835 -2.074 18728 454 1 1 . 1 1 84 84 VAL H H 84 8.391 8.391 8.442 -0.051 18728 455 1 1 . 1 1 85 85 GLU N N 85 120.907 120.907 123.715 -2.808 18728 456 1 1 . 1 1 85 85 GLU HA H 85 5.087 5.087 4.971 0.116 18728 457 1 1 . 1 1 85 85 GLU CA C 85 52.949 52.949 52.333 0.616 18728 458 1 1 . 1 1 85 85 GLU CB C 85 31.367 31.367 31.026 0.341 18728 459 1 1 . 1 1 85 85 GLU H H 85 8.681 8.681 9.095 -0.414 18728 460 1 1 . 1 1 86 86 PRO HA H 86 5.383 5.383 4.953 0.430 18728 461 1 1 . 1 1 86 86 PRO C C 86 175.908 175.908 175.985 -0.077 18728 462 1 1 . 1 1 86 86 PRO CA C 86 61.444 61.444 62.528 -1.084 18728 463 1 1 . 1 1 86 86 PRO CB C 86 32.657 32.657 32.546 0.111 18728 464 1 1 . 1 1 87 87 LYS N N 87 121.252 121.252 120.679 0.573 18728 465 1 1 . 1 1 87 87 LYS HA H 87 4.688 4.688 5.046 -0.358 18728 466 1 1 . 1 1 87 87 LYS C C 87 175.676 175.676 175.991 -0.315 18728 467 1 1 . 1 1 87 87 LYS CA C 87 55.101 55.101 53.971 1.130 18728 468 1 1 . 1 1 87 87 LYS CB C 87 36.608 36.608 37.018 -0.410 18728 469 1 1 . 1 1 87 87 LYS H H 87 9.397 9.397 8.807 0.590 18728 470 1 1 . 1 1 88 88 ARG N N 88 123.272 123.272 121.063 2.209 18728 471 1 1 . 1 1 88 88 ARG HA H 88 4.375 4.375 4.449 -0.074 18728 472 1 1 . 1 1 88 88 ARG C C 88 177.011 177.011 176.710 0.301 18728 473 1 1 . 1 1 88 88 ARG CA C 88 57.209 57.209 55.771 1.438 18728 474 1 1 . 1 1 88 88 ARG CB C 88 30.452 30.452 30.778 -0.326 18728 475 1 1 . 1 1 88 88 ARG H H 88 8.940 8.940 8.915 0.025 18728 476 1 1 . 1 1 89 89 ALA N N 89 126.260 126.260 130.817 -4.557 18728 477 1 1 . 1 1 89 89 ALA HA H 89 4.259 4.259 4.457 -0.198 18728 478 1 1 . 1 1 89 89 ALA C C 89 177.452 177.452 176.820 0.632 18728 479 1 1 . 1 1 89 89 ALA CA C 89 53.712 53.712 52.080 1.632 18728 480 1 1 . 1 1 89 89 ALA CB C 89 18.824 18.824 18.450 0.374 18728 481 1 1 . 1 1 89 89 ALA H H 89 8.424 8.424 8.036 0.388 18728 482 1 1 . 1 1 90 90 VAL N N 90 115.835 115.835 124.037 -8.202 18728 483 1 1 . 1 1 90 90 VAL HA H 90 4.182 4.182 3.938 0.244 18728 484 1 1 . 1 1 90 90 VAL C C 90 175.397 175.397 176.670 -1.273 18728 485 1 1 . 1 1 90 90 VAL CA C 90 61.516 61.516 63.353 -1.837 18728 486 1 1 . 1 1 90 90 VAL CB C 90 33.448 33.448 32.047 1.401 18728 487 1 1 . 1 1 90 90 VAL H H 90 7.892 7.892 7.690 0.202 18728 488 1 1 . 1 1 91 91 SER N N 91 119.224 119.224 122.656 -3.432 18728 489 1 1 . 1 1 91 91 SER HA H 91 4.420 4.420 4.326 0.094 18728 490 1 1 . 1 1 91 91 SER CA C 91 57.888 57.888 59.094 -1.206 18728 491 1 1 . 1 1 91 91 SER CB C 91 63.788 63.788 64.125 -0.337 18728 492 1 1 . 1 1 91 91 SER H H 91 8.327 8.327 8.549 -0.222 18728 493 1 1 . 1 1 92 92 ARG HA H 92 4.231 4.231 4.066 0.165 18728 494 1 1 . 1 1 92 92 ARG C C 92 176.651 176.651 177.631 -0.980 18728 495 1 1 . 1 1 92 92 ARG CA C 92 56.671 56.671 58.157 -1.486 18728 496 1 1 . 1 1 92 92 ARG CB C 92 30.776 30.776 29.900 0.876 18728 497 1 1 . 1 1 92 92 ARG H H 92 8.425 8.425 8.830 -0.405 18728 498 1 1 . 1 1 93 93 GLU N N 93 121.483 121.483 117.694 3.789 18728 499 1 1 . 1 1 93 93 GLU HA H 93 4.181 4.181 4.175 0.006 18728 500 1 1 . 1 1 93 93 GLU C C 93 176.605 176.605 177.921 -1.316 18728 501 1 1 . 1 1 93 93 GLU CA C 93 57.185 57.185 58.717 -1.532 18728 502 1 1 . 1 1 93 93 GLU CB C 93 30.015 30.015 29.273 0.742 18728 503 1 1 . 1 1 93 93 GLU H H 93 8.503 8.503 8.217 0.286 18728 504 1 1 . 1 1 94 94 ASP N N 94 121.305 121.305 118.970 2.335 18728 505 1 1 . 1 1 94 94 ASP HA H 94 4.540 4.540 4.583 -0.043 18728 506 1 1 . 1 1 94 94 ASP C C 94 176.744 176.744 178.352 -1.608 18728 507 1 1 . 1 1 94 94 ASP CA C 94 54.678 54.678 56.155 -1.477 18728 508 1 1 . 1 1 94 94 ASP CB C 94 41.183 41.183 41.282 -0.099 18728 509 1 1 . 1 1 94 94 ASP H H 94 8.229 8.229 7.779 0.450 18728 510 1 1 . 1 1 95 95 SER N N 95 115.787 115.787 114.422 1.365 18728 511 1 1 . 1 1 95 95 SER HA H 95 4.286 4.286 4.134 0.152 18728 512 1 1 . 1 1 95 95 SER C C 95 174.602 174.602 174.856 -0.254 18728 513 1 1 . 1 1 95 95 SER CA C 95 58.957 58.957 59.405 -0.448 18728 514 1 1 . 1 1 95 95 SER CB C 95 64.524 64.524 62.907 1.617 18728 515 1 1 . 1 1 95 95 SER H H 95 8.109 8.109 8.187 -0.078 18728 516 1 1 . 1 1 96 96 GLN N N 96 120.796 120.796 118.847 1.949 18728 517 1 1 . 1 1 96 96 GLN HA H 96 4.297 4.297 4.265 0.032 18728 518 1 1 . 1 1 96 96 GLN C C 96 175.742 175.742 175.844 -0.102 18728 519 1 1 . 1 1 96 96 GLN CA C 96 55.721 55.721 56.174 -0.453 18728 520 1 1 . 1 1 96 96 GLN CB C 96 29.313 29.313 29.370 -0.057 18728 521 1 1 . 1 1 96 96 GLN H H 96 8.161 8.161 7.219 0.942 18728 522 1 1 . 1 1 97 97 ARG N N 97 122.462 122.462 120.447 2.015 18728 523 1 1 . 1 1 97 97 ARG HA H 97 4.552 4.552 4.703 -0.151 18728 524 1 1 . 1 1 97 97 ARG CA C 97 54.096 54.096 52.453 1.643 18728 525 1 1 . 1 1 97 97 ARG CB C 97 30.115 30.115 29.233 0.882 18728 526 1 1 . 1 1 97 97 ARG H H 97 8.029 8.029 7.647 0.382 18728 527 1 1 . 1 1 98 98 PRO HA H 98 4.362 4.362 4.314 0.048 18728 528 1 1 . 1 1 98 98 PRO C C 98 177.715 177.715 177.518 0.197 18728 529 1 1 . 1 1 98 98 PRO CA C 98 63.592 63.592 63.562 0.030 18728 530 1 1 . 1 1 98 98 PRO CB C 98 31.955 31.955 31.422 0.533 18728 531 1 1 . 1 1 99 99 GLY N N 99 109.572 109.572 112.551 -2.979 18728 532 1 1 . 1 1 99 99 GLY C C 99 174.356 174.356 173.760 0.596 18728 533 1 1 . 1 1 99 99 GLY CA C 99 45.395 45.395 44.959 0.436 18728 534 1 1 . 1 1 99 99 GLY H H 99 8.516 8.516 8.719 -0.203 18728 535 1 1 . 1 1 100 100 ALA N N 100 123.418 123.418 120.397 3.021 18728 536 1 1 . 1 1 100 100 ALA HA H 100 4.141 4.141 4.092 0.049 18728 537 1 1 . 1 1 100 100 ALA CA C 100 53.160 53.160 53.149 0.011 18728 538 1 1 . 1 1 100 100 ALA CB C 100 19.185 19.185 19.880 -0.695 18728 539 1 1 . 1 1 100 100 ALA H H 100 8.015 8.015 7.562 0.453 18728 540 1 1 . 1 1 101 101 HIS HA H 101 4.502 4.502 4.401 0.101 18728 541 1 1 . 1 1 101 101 HIS C C 101 175.102 175.102 174.574 0.528 18728 542 1 1 . 1 1 101 101 HIS CA C 101 56.309 56.309 55.526 0.783 18728 543 1 1 . 1 1 101 101 HIS CB C 101 30.450 30.450 29.272 1.178 18728 544 1 1 . 1 1 102 102 LEU N N 102 122.495 122.495 120.850 1.645 18728 545 1 1 . 1 1 102 102 LEU HA H 102 4.263 4.263 4.432 -0.169 18728 546 1 1 . 1 1 102 102 LEU C C 102 177.020 177.020 177.069 -0.049 18728 547 1 1 . 1 1 102 102 LEU CA C 102 54.934 54.934 54.578 0.356 18728 548 1 1 . 1 1 102 102 LEU CB C 102 42.414 42.414 43.092 -0.678 18728 549 1 1 . 1 1 102 102 LEU H H 102 7.774 7.774 7.562 0.212 18728 550 1 1 . 1 1 103 103 THR N N 103 115.720 115.720 118.484 -2.764 18728 551 1 1 . 1 1 103 103 THR HA H 103 4.220 4.220 4.166 0.054 18728 552 1 1 . 1 1 103 103 THR C C 103 174.185 174.185 174.091 0.094 18728 553 1 1 . 1 1 103 103 THR CA C 103 60.917 60.917 62.879 -1.962 18728 554 1 1 . 1 1 103 103 THR CB C 103 69.340 69.340 67.871 1.469 18728 555 1 1 . 1 1 103 103 THR H H 103 8.001 8.001 8.307 -0.306 18728 556 1 1 . 1 1 104 104 VAL N N 104 122.004 122.004 126.520 -4.516 18728 557 1 1 . 1 1 104 104 VAL HA H 104 4.330 4.330 4.331 -0.001 18728 558 1 1 . 1 1 104 104 VAL C C 104 175.294 175.294 175.467 -0.173 18728 559 1 1 . 1 1 104 104 VAL CA C 104 61.877 61.877 61.616 0.261 18728 560 1 1 . 1 1 104 104 VAL CB C 104 34.220 34.220 33.139 1.081 18728 561 1 1 . 1 1 104 104 VAL H H 104 8.191 8.191 7.966 0.225 18728 562 1 1 . 1 1 105 105 LYS N N 105 121.406 121.406 125.821 -4.415 18728 563 1 1 . 1 1 105 105 LYS HA H 105 4.498 4.498 4.584 -0.086 18728 564 1 1 . 1 1 105 105 LYS C C 105 173.482 173.482 175.577 -2.095 18728 565 1 1 . 1 1 105 105 LYS CA C 105 56.433 56.433 55.828 0.605 18728 566 1 1 . 1 1 105 105 LYS CB C 105 33.245 33.245 32.849 0.396 18728 567 1 1 . 1 1 105 105 LYS H H 105 8.672 8.672 8.804 -0.132 18728 568 1 1 . 1 1 106 106 LYS N N 106 121.756 121.756 119.590 2.166 18728 569 1 1 . 1 1 106 106 LYS HA H 106 5.623 5.623 5.588 0.035 18728 570 1 1 . 1 1 106 106 LYS C C 106 175.153 175.153 175.501 -0.348 18728 571 1 1 . 1 1 106 106 LYS CA C 106 54.537 54.537 54.786 -0.249 18728 572 1 1 . 1 1 106 106 LYS CB C 106 37.407 37.407 36.261 1.145 18728 573 1 1 . 1 1 106 106 LYS H H 106 7.134 7.134 7.790 -0.656 18728 574 1 1 . 1 1 107 107 ILE N N 107 115.982 115.982 118.469 -2.487 18728 575 1 1 . 1 1 107 107 ILE HA H 107 5.110 5.110 5.300 -0.190 18728 576 1 1 . 1 1 107 107 ILE C C 107 174.525 174.525 174.085 0.440 18728 577 1 1 . 1 1 107 107 ILE CA C 107 59.009 59.009 58.963 0.046 18728 578 1 1 . 1 1 107 107 ILE CB C 107 40.552 40.552 41.644 -1.092 18728 579 1 1 . 1 1 107 107 ILE H H 107 8.948 8.948 8.803 0.145 18728 580 1 1 . 1 1 108 108 PHE N N 108 124.182 124.182 123.833 0.349 18728 581 1 1 . 1 1 108 108 PHE HA H 108 4.696 4.696 4.834 -0.138 18728 582 1 1 . 1 1 108 108 PHE C C 108 173.422 173.422 173.441 -0.019 18728 583 1 1 . 1 1 108 108 PHE CA C 108 56.567 56.567 55.611 0.956 18728 584 1 1 . 1 1 108 108 PHE CB C 108 41.596 41.596 42.050 -0.454 18728 585 1 1 . 1 1 108 108 PHE H H 108 9.103 9.103 8.875 0.228 18728 586 1 1 . 1 1 109 109 VAL N N 109 126.956 126.956 125.986 0.970 18728 587 1 1 . 1 1 109 109 VAL HA H 109 4.497 4.497 4.901 -0.404 18728 588 1 1 . 1 1 109 109 VAL C C 109 174.097 174.097 174.188 -0.091 18728 589 1 1 . 1 1 109 109 VAL CA C 109 60.493 60.493 60.137 0.356 18728 590 1 1 . 1 1 109 109 VAL CB C 109 33.266 33.266 33.342 -0.076 18728 591 1 1 . 1 1 109 109 VAL H H 109 8.338 8.338 8.407 -0.069 18728 592 1 1 . 1 1 110 110 GLY N N 110 113.617 113.617 112.898 0.719 18728 593 1 1 . 1 1 110 110 GLY C C 110 174.325 174.325 173.499 0.826 18728 594 1 1 . 1 1 110 110 GLY CA C 110 44.011 44.011 43.234 0.777 18728 595 1 1 . 1 1 110 110 GLY H H 110 9.173 9.173 8.593 0.580 18728 596 1 1 . 1 1 111 111 GLY N N 111 106.411 106.411 109.888 -3.477 18728 597 1 1 . 1 1 111 111 GLY CA C 111 46.359 46.359 45.207 1.152 18728 598 1 1 . 1 1 111 111 GLY H H 111 8.221 8.221 8.206 0.015 18728 599 1 1 . 1 1 116 116 THR HA H 116 4.322 4.322 4.760 -0.438 18728 600 1 1 . 1 1 116 116 THR C C 116 173.380 173.380 173.565 -0.185 18728 601 1 1 . 1 1 116 116 THR CA C 116 63.000 63.000 61.772 1.228 18728 602 1 1 . 1 1 117 117 GLU N N 117 130.298 130.298 125.287 5.011 18728 603 1 1 . 1 1 117 117 GLU HA H 117 4.632 4.632 4.502 0.130 18728 604 1 1 . 1 1 117 117 GLU C C 117 177.632 177.632 176.736 0.896 18728 605 1 1 . 1 1 117 117 GLU CA C 117 53.853 53.853 54.492 -0.639 18728 606 1 1 . 1 1 117 117 GLU CB C 117 32.977 32.977 31.097 1.880 18728 607 1 1 . 1 1 117 117 GLU H H 117 11.190 11.190 8.524 2.666 18728 608 1 1 . 1 1 118 118 GLU N N 118 122.126 122.126 123.398 -1.272 18728 609 1 1 . 1 1 118 118 GLU HA H 118 3.627 3.627 3.910 -0.283 18728 610 1 1 . 1 1 118 118 GLU C C 118 179.294 179.294 177.986 1.308 18728 611 1 1 . 1 1 118 118 GLU CA C 118 61.689 61.689 60.454 1.235 18728 612 1 1 . 1 1 118 118 GLU CB C 118 29.075 29.075 29.375 -0.300 18728 613 1 1 . 1 1 118 118 GLU H H 118 9.339 9.339 8.993 0.346 18728 614 1 1 . 1 1 119 119 HIS N N 119 113.514 113.514 115.225 -1.711 18728 615 1 1 . 1 1 119 119 HIS HA H 119 4.265 4.265 4.321 -0.056 18728 616 1 1 . 1 1 119 119 HIS C C 119 176.566 176.566 178.171 -1.605 18728 617 1 1 . 1 1 119 119 HIS CA C 119 58.917 58.917 59.655 -0.738 18728 618 1 1 . 1 1 119 119 HIS CB C 119 28.187 28.187 28.992 -0.805 18728 619 1 1 . 1 1 119 119 HIS H H 119 8.240 8.240 8.749 -0.509 18728 620 1 1 . 1 1 120 120 HIS N N 120 118.629 118.629 118.369 0.260 18728 621 1 1 . 1 1 120 120 HIS HA H 120 4.332 4.332 4.290 0.042 18728 622 1 1 . 1 1 120 120 HIS C C 120 179.713 179.713 177.375 2.338 18728 623 1 1 . 1 1 120 120 HIS CA C 120 60.310 60.310 58.640 1.670 18728 624 1 1 . 1 1 120 120 HIS CB C 120 32.233 32.233 30.163 2.070 18728 625 1 1 . 1 1 120 120 HIS H H 120 6.474 6.474 7.262 -0.788 18728 626 1 1 . 1 1 121 121 LEU N N 121 117.249 117.249 116.244 1.005 18728 627 1 1 . 1 1 121 121 LEU HA H 121 4.179 4.179 4.364 -0.185 18728 628 1 1 . 1 1 121 121 LEU C C 121 178.020 178.020 178.547 -0.527 18728 629 1 1 . 1 1 121 121 LEU CA C 121 57.924 57.924 57.570 0.354 18728 630 1 1 . 1 1 121 121 LEU CB C 121 42.577 42.577 41.416 1.161 18728 631 1 1 . 1 1 121 121 LEU H H 121 7.132 7.132 7.681 -0.549 18728 632 1 1 . 1 1 122 122 ARG N N 122 121.766 121.766 121.286 0.480 18728 633 1 1 . 1 1 122 122 ARG HA H 122 3.741 3.741 4.019 -0.278 18728 634 1 1 . 1 1 122 122 ARG C C 122 177.023 177.023 178.021 -0.998 18728 635 1 1 . 1 1 122 122 ARG CA C 122 60.508 60.508 59.918 0.590 18728 636 1 1 . 1 1 122 122 ARG CB C 122 30.256 30.256 29.758 0.498 18728 637 1 1 . 1 1 122 122 ARG H H 122 8.759 8.759 8.937 -0.178 18728 638 1 1 . 1 1 123 123 ASP N N 123 116.299 116.299 117.793 -1.494 18728 639 1 1 . 1 1 123 123 ASP HA H 123 4.294 4.294 4.447 -0.153 18728 640 1 1 . 1 1 123 123 ASP C C 123 178.057 178.057 178.235 -0.178 18728 641 1 1 . 1 1 123 123 ASP CA C 123 57.076 57.076 57.108 -0.032 18728 642 1 1 . 1 1 123 123 ASP CB C 123 40.572 40.572 40.906 -0.334 18728 643 1 1 . 1 1 123 123 ASP H H 123 8.423 8.423 7.899 0.524 18728 644 1 1 . 1 1 124 124 TYR N N 124 115.172 115.172 119.978 -4.806 18728 645 1 1 . 1 1 124 124 TYR HA H 124 4.338 4.338 4.275 0.063 18728 646 1 1 . 1 1 124 124 TYR C C 124 177.688 177.688 177.750 -0.062 18728 647 1 1 . 1 1 124 124 TYR CA C 124 61.660 61.660 61.190 0.470 18728 648 1 1 . 1 1 124 124 TYR CB C 124 39.847 39.847 38.902 0.945 18728 649 1 1 . 1 1 124 124 TYR H H 124 7.212 7.212 7.453 -0.241 18728 650 1 1 . 1 1 125 125 PHE N N 125 113.932 113.932 117.865 -3.933 18728 651 1 1 . 1 1 125 125 PHE HA H 125 4.515 4.515 4.212 0.303 18728 652 1 1 . 1 1 125 125 PHE C C 125 178.209 178.209 178.392 -0.183 18728 653 1 1 . 1 1 125 125 PHE CA C 125 63.404 63.404 61.023 2.381 18728 654 1 1 . 1 1 125 125 PHE CB C 125 38.614 38.614 38.428 0.186 18728 655 1 1 . 1 1 125 125 PHE H H 125 8.802 8.802 8.908 -0.106 18728 656 1 1 . 1 1 126 126 GLU N N 126 120.515 120.515 119.128 1.387 18728 657 1 1 . 1 1 126 126 GLU HA H 126 4.884 4.884 4.578 0.306 18728 658 1 1 . 1 1 126 126 GLU C C 126 177.936 177.936 177.417 0.519 18728 659 1 1 . 1 1 126 126 GLU CA C 126 58.560 58.560 58.099 0.461 18728 660 1 1 . 1 1 126 126 GLU CB C 126 28.516 28.516 29.334 -0.818 18728 661 1 1 . 1 1 126 126 GLU H H 126 8.869 8.869 8.255 0.614 18728 662 1 1 . 1 1 127 127 GLN N N 127 115.855 115.855 116.773 -0.918 18728 663 1 1 . 1 1 127 127 GLN HA H 127 4.055 4.055 4.027 0.028 18728 664 1 1 . 1 1 127 127 GLN C C 127 176.656 176.656 177.688 -1.032 18728 665 1 1 . 1 1 127 127 GLN CA C 127 57.566 57.566 57.925 -0.359 18728 666 1 1 . 1 1 127 127 GLN CB C 127 29.047 29.047 28.630 0.418 18728 667 1 1 . 1 1 127 127 GLN H H 127 7.105 7.105 7.753 -0.648 18728 668 1 1 . 1 1 128 128 TYR N N 128 116.626 116.626 116.538 0.088 18728 669 1 1 . 1 1 128 128 TYR HA H 128 4.328 4.328 4.449 -0.121 18728 670 1 1 . 1 1 128 128 TYR C C 128 175.596 175.596 175.587 0.009 18728 671 1 1 . 1 1 128 128 TYR CA C 128 59.492 59.492 58.895 0.598 18728 672 1 1 . 1 1 128 128 TYR CB C 128 39.539 39.539 39.671 -0.132 18728 673 1 1 . 1 1 128 128 TYR H H 128 7.950 7.950 7.945 0.005 18728 674 1 1 . 1 1 129 129 GLY N N 129 107.386 107.386 103.492 3.894 18728 675 1 1 . 1 1 129 129 GLY C C 129 170.407 170.407 172.143 -1.736 18728 676 1 1 . 1 1 129 129 GLY CA C 129 44.819 44.819 45.125 -0.306 18728 677 1 1 . 1 1 129 129 GLY H H 129 7.492 7.492 7.599 -0.107 18728 678 1 1 . 1 1 130 130 LYS N N 130 117.786 117.786 120.975 -3.189 18728 679 1 1 . 1 1 130 130 LYS HA H 130 4.315 4.315 4.463 -0.148 18728 680 1 1 . 1 1 130 130 LYS C C 130 177.097 177.097 175.403 1.694 18728 681 1 1 . 1 1 130 130 LYS CA C 130 56.938 56.938 56.668 0.270 18728 682 1 1 . 1 1 130 130 LYS CB C 130 33.199 33.199 33.372 -0.173 18728 683 1 1 . 1 1 130 130 LYS H H 130 8.135 8.135 8.614 -0.479 18728 684 1 1 . 1 1 131 131 ILE N N 131 127.829 127.829 126.440 1.389 18728 685 1 1 . 1 1 131 131 ILE HA H 131 3.681 3.681 4.031 -0.350 18728 686 1 1 . 1 1 131 131 ILE C C 131 175.841 175.841 176.047 -0.206 18728 687 1 1 . 1 1 131 131 ILE CA C 131 61.625 61.625 60.491 1.134 18728 688 1 1 . 1 1 131 131 ILE CB C 131 40.441 40.441 39.597 0.844 18728 689 1 1 . 1 1 131 131 ILE H H 131 8.917 8.917 8.525 0.392 18728 690 1 1 . 1 1 132 132 GLU N N 132 128.437 128.437 127.702 0.735 18728 691 1 1 . 1 1 132 132 GLU HA H 132 4.320 4.320 4.315 0.005 18728 692 1 1 . 1 1 132 132 GLU C C 132 176.192 176.192 175.909 0.283 18728 693 1 1 . 1 1 132 132 GLU CA C 132 57.816 57.816 58.141 -0.325 18728 694 1 1 . 1 1 132 132 GLU CB C 132 31.670 31.670 31.180 0.490 18728 695 1 1 . 1 1 132 132 GLU H H 132 9.136 9.136 8.694 0.442 18728 696 1 1 . 1 1 133 133 VAL N N 133 115.096 115.096 117.265 -2.169 18728 697 1 1 . 1 1 133 133 VAL HA H 133 4.316 4.316 4.252 0.064 18728 698 1 1 . 1 1 133 133 VAL C C 133 172.860 172.860 173.710 -0.850 18728 699 1 1 . 1 1 133 133 VAL CA C 133 61.258 61.258 60.563 0.695 18728 700 1 1 . 1 1 133 133 VAL CB C 133 35.526 35.526 35.336 0.191 18728 701 1 1 . 1 1 133 133 VAL H H 133 7.272 7.272 7.424 -0.152 18728 702 1 1 . 1 1 134 134 ILE N N 134 126.870 126.870 124.832 2.038 18728 703 1 1 . 1 1 134 134 ILE HA H 134 4.464 4.464 4.287 0.177 18728 704 1 1 . 1 1 134 134 ILE C C 134 174.004 174.004 175.050 -1.046 18728 705 1 1 . 1 1 134 134 ILE CA C 134 60.904 60.904 60.253 0.651 18728 706 1 1 . 1 1 134 134 ILE CB C 134 40.408 40.408 39.799 0.609 18728 707 1 1 . 1 1 134 134 ILE H H 134 8.566 8.566 8.428 0.138 18728 708 1 1 . 1 1 135 135 GLU N N 135 128.037 128.037 128.721 -0.684 18728 709 1 1 . 1 1 135 135 GLU HA H 135 4.642 4.642 4.613 0.029 18728 710 1 1 . 1 1 135 135 GLU C C 135 174.883 174.883 175.209 -0.326 18728 711 1 1 . 1 1 135 135 GLU CA C 135 54.640 54.640 55.252 -0.612 18728 712 1 1 . 1 1 135 135 GLU CB C 135 33.259 33.259 30.604 2.655 18728 713 1 1 . 1 1 135 135 GLU H H 135 9.019 9.019 8.702 0.317 18728 714 1 1 . 1 1 136 136 ILE N N 136 126.668 126.668 125.725 0.943 18728 715 1 1 . 1 1 136 136 ILE HA H 136 3.898 3.898 4.354 -0.456 18728 716 1 1 . 1 1 136 136 ILE C C 136 176.157 176.157 175.420 0.737 18728 717 1 1 . 1 1 136 136 ILE CA C 136 61.336 61.336 59.571 1.765 18728 718 1 1 . 1 1 136 136 ILE CB C 136 37.397 37.397 37.868 -0.471 18728 719 1 1 . 1 1 136 136 ILE H H 136 8.967 8.967 8.505 0.462 18728 720 1 1 . 1 1 137 137 MET N N 137 126.115 126.115 127.506 -1.391 18728 721 1 1 . 1 1 137 137 MET HA H 137 4.679 4.679 4.659 0.020 18728 722 1 1 . 1 1 137 137 MET C C 137 176.723 176.723 175.546 1.177 18728 723 1 1 . 1 1 137 137 MET CA C 137 55.163 55.163 53.188 1.975 18728 724 1 1 . 1 1 137 137 MET CB C 137 30.841 30.841 32.000 -1.159 18728 725 1 1 . 1 1 137 137 MET H H 137 7.656 7.656 8.121 -0.465 18728 726 1 1 . 1 1 138 138 THR N N 138 116.735 116.735 117.973 -1.238 18728 727 1 1 . 1 1 138 138 THR HA H 138 4.746 4.746 4.487 0.259 18728 728 1 1 . 1 1 138 138 THR C C 138 173.642 173.642 173.891 -0.249 18728 729 1 1 . 1 1 138 138 THR CA C 138 60.385 60.385 61.448 -1.063 18728 730 1 1 . 1 1 138 138 THR CB C 138 72.028 72.028 69.951 2.077 18728 731 1 1 . 1 1 138 138 THR H H 138 8.551 8.551 8.365 0.186 18728 732 1 1 . 1 1 139 139 ASP N N 139 123.899 123.899 123.137 0.762 18728 733 1 1 . 1 1 139 139 ASP HA H 139 4.677 4.677 4.678 -0.001 18728 734 1 1 . 1 1 139 139 ASP CA C 139 53.728 53.728 54.175 -0.447 18728 735 1 1 . 1 1 139 139 ASP CB C 139 42.270 42.270 43.058 -0.788 18728 736 1 1 . 1 1 139 139 ASP H H 139 8.818 8.818 8.635 0.183 18728 737 1 1 . 1 1 140 140 ARG HA H 140 4.037 4.037 4.301 -0.264 18728 738 1 1 . 1 1 140 140 ARG C C 140 177.886 177.886 177.219 0.667 18728 739 1 1 . 1 1 140 140 ARG CB C 140 29.886 29.886 30.355 -0.469 18728 740 1 1 . 1 1 141 141 GLY N N 141 107.951 107.951 106.666 1.285 18728 741 1 1 . 1 1 141 141 GLY C C 141 174.861 174.861 175.531 -0.670 18728 742 1 1 . 1 1 141 141 GLY CA C 141 46.490 46.490 45.749 0.741 18728 743 1 1 . 1 1 141 141 GLY H H 141 8.635 8.635 8.274 0.361 18728 744 1 1 . 1 1 142 142 SER N N 142 114.044 114.044 116.175 -2.131 18728 745 1 1 . 1 1 142 142 SER HA H 142 4.533 4.533 4.524 0.009 18728 746 1 1 . 1 1 142 142 SER C C 142 176.080 176.080 174.771 1.309 18728 747 1 1 . 1 1 142 142 SER CA C 142 58.429 58.429 58.364 0.065 18728 748 1 1 . 1 1 142 142 SER CB C 142 65.439 65.439 64.345 1.094 18728 749 1 1 . 1 1 142 142 SER H H 142 8.034 8.034 8.698 -0.664 18728 750 1 1 . 1 1 143 143 GLY N N 143 112.348 112.348 107.928 4.420 18728 751 1 1 . 1 1 143 143 GLY C C 143 173.949 173.949 173.789 0.160 18728 752 1 1 . 1 1 143 143 GLY CA C 143 45.703 45.703 45.506 0.197 18728 753 1 1 . 1 1 143 143 GLY H H 143 8.363 8.363 7.750 0.613 18728 754 1 1 . 1 1 144 144 LYS N N 144 119.966 119.966 119.011 0.955 18728 755 1 1 . 1 1 144 144 LYS HA H 144 4.273 4.273 4.440 -0.167 18728 756 1 1 . 1 1 144 144 LYS C C 144 176.969 176.969 176.241 0.728 18728 757 1 1 . 1 1 144 144 LYS CA C 144 56.145 56.145 54.257 1.888 18728 758 1 1 . 1 1 144 144 LYS CB C 144 33.378 33.378 33.209 0.169 18728 759 1 1 . 1 1 144 144 LYS H H 144 7.786 7.786 7.840 -0.054 18728 760 1 1 . 1 1 145 145 LYS N N 145 123.668 123.668 122.286 1.382 18728 761 1 1 . 1 1 145 145 LYS HA H 145 4.187 4.187 4.337 -0.150 18728 762 1 1 . 1 1 145 145 LYS C C 145 177.498 177.498 175.660 1.838 18728 763 1 1 . 1 1 145 145 LYS CA C 145 57.392 57.392 55.958 1.434 18728 764 1 1 . 1 1 145 145 LYS CB C 145 32.577 32.577 30.972 1.605 18728 765 1 1 . 1 1 145 145 LYS H H 145 8.968 8.968 8.667 0.301 18728 766 1 1 . 1 1 146 146 ARG N N 146 119.700 119.700 119.171 0.529 18728 767 1 1 . 1 1 146 146 ARG HA H 146 4.294 4.294 4.498 -0.204 18728 768 1 1 . 1 1 146 146 ARG CA C 146 56.365 56.365 54.973 1.392 18728 769 1 1 . 1 1 146 146 ARG CB C 146 30.786 30.786 32.946 -2.160 18728 770 1 1 . 1 1 146 146 ARG H H 146 8.095 8.095 7.767 0.328 18728 771 1 1 . 1 1 147 147 GLY N N 147 110.572 110.572 107.609 2.963 18728 772 1 1 . 1 1 147 147 GLY C C 147 173.384 173.384 173.111 0.273 18728 773 1 1 . 1 1 147 147 GLY CA C 147 45.440 45.440 46.349 -0.909 18728 774 1 1 . 1 1 147 147 GLY H H 147 8.401 8.401 8.753 -0.352 18728 775 1 1 . 1 1 148 148 PHE N N 148 114.199 114.199 116.148 -1.949 18728 776 1 1 . 1 1 148 148 PHE HA H 148 5.194 5.194 5.303 -0.109 18728 777 1 1 . 1 1 148 148 PHE C C 148 172.409 172.409 172.718 -0.309 18728 778 1 1 . 1 1 148 148 PHE CA C 148 55.282 55.282 55.812 -0.530 18728 779 1 1 . 1 1 148 148 PHE CB C 148 41.869 41.869 40.348 1.521 18728 780 1 1 . 1 1 148 148 PHE H H 148 7.255 7.255 7.376 -0.121 18728 781 1 1 . 1 1 149 149 ALA N N 149 121.427 121.427 120.500 0.927 18728 782 1 1 . 1 1 149 149 ALA HA H 149 4.966 4.966 4.735 0.231 18728 783 1 1 . 1 1 149 149 ALA C C 149 174.084 174.084 174.488 -0.404 18728 784 1 1 . 1 1 149 149 ALA CA C 149 49.755 49.755 50.528 -0.773 18728 785 1 1 . 1 1 149 149 ALA CB C 149 25.094 25.094 22.713 2.381 18728 786 1 1 . 1 1 149 149 ALA H H 149 8.786 8.786 8.770 0.016 18728 787 1 1 . 1 1 150 150 PHE N N 150 114.425 114.425 116.022 -1.597 18728 788 1 1 . 1 1 150 150 PHE HA H 150 5.874 5.874 5.515 0.359 18728 789 1 1 . 1 1 150 150 PHE C C 150 176.196 176.196 174.403 1.793 18728 790 1 1 . 1 1 150 150 PHE CA C 150 56.070 56.070 57.052 -0.982 18728 791 1 1 . 1 1 150 150 PHE CB C 150 43.251 43.251 44.246 -0.995 18728 792 1 1 . 1 1 150 150 PHE H H 150 8.689 8.689 9.071 -0.382 18728 793 1 1 . 1 1 151 151 VAL N N 151 122.489 122.489 121.975 0.514 18728 794 1 1 . 1 1 151 151 VAL HA H 151 4.375 4.375 4.337 0.038 18728 795 1 1 . 1 1 151 151 VAL C C 151 173.932 173.932 174.928 -0.996 18728 796 1 1 . 1 1 151 151 VAL CA C 151 61.454 61.454 61.423 0.031 18728 797 1 1 . 1 1 151 151 VAL CB C 151 33.869 33.869 34.693 -0.824 18728 798 1 1 . 1 1 151 151 VAL H H 151 8.559 8.559 8.954 -0.395 18728 799 1 1 . 1 1 152 152 THR N N 152 123.112 123.112 123.234 -0.122 18728 800 1 1 . 1 1 152 152 THR HA H 152 4.995 4.995 4.898 0.097 18728 801 1 1 . 1 1 152 152 THR C C 152 174.047 174.047 173.531 0.516 18728 802 1 1 . 1 1 152 152 THR CA C 152 61.931 61.931 61.995 -0.064 18728 803 1 1 . 1 1 152 152 THR CB C 152 69.689 69.689 69.417 0.272 18728 804 1 1 . 1 1 152 152 THR H H 152 8.723 8.723 8.538 0.185 18728 805 1 1 . 1 1 153 153 PHE N N 153 127.746 127.746 126.272 1.474 18728 806 1 1 . 1 1 153 153 PHE HA H 153 4.840 4.840 4.644 0.196 18728 807 1 1 . 1 1 153 153 PHE C C 153 174.720 174.720 175.165 -0.445 18728 808 1 1 . 1 1 153 153 PHE CA C 153 58.098 58.098 58.205 -0.107 18728 809 1 1 . 1 1 153 153 PHE CB C 153 41.706 41.706 41.675 0.031 18728 810 1 1 . 1 1 153 153 PHE H H 153 9.368 9.368 9.126 0.242 18728 811 1 1 . 1 1 154 154 ASP N N 154 118.371 118.371 120.182 -1.811 18728 812 1 1 . 1 1 154 154 ASP HA H 154 4.486 4.486 4.590 -0.104 18728 813 1 1 . 1 1 154 154 ASP C C 154 175.668 175.668 175.445 0.223 18728 814 1 1 . 1 1 154 154 ASP CA C 154 56.114 56.114 56.400 -0.286 18728 815 1 1 . 1 1 154 154 ASP CB C 154 42.576 42.576 42.635 -0.059 18728 816 1 1 . 1 1 154 154 ASP H H 154 8.196 8.196 8.977 -0.781 18728 817 1 1 . 1 1 155 155 ASP N N 155 117.144 117.144 115.197 1.947 18728 818 1 1 . 1 1 155 155 ASP HA H 155 4.909 4.909 4.841 0.068 18728 819 1 1 . 1 1 155 155 ASP C C 155 176.392 176.392 175.917 0.475 18728 820 1 1 . 1 1 155 155 ASP CA C 155 52.615 52.615 52.059 0.556 18728 821 1 1 . 1 1 155 155 ASP CB C 155 44.471 44.471 44.009 0.462 18728 822 1 1 . 1 1 155 155 ASP H H 155 8.323 8.323 7.952 0.371 18728 823 1 1 . 1 1 156 156 HIS N N 156 121.508 121.508 119.971 1.537 18728 824 1 1 . 1 1 156 156 HIS HA H 156 4.336 4.336 4.626 -0.290 18728 825 1 1 . 1 1 156 156 HIS C C 156 176.855 176.855 176.508 0.347 18728 826 1 1 . 1 1 156 156 HIS CA C 156 58.593 58.593 57.495 1.098 18728 827 1 1 . 1 1 156 156 HIS CB C 156 29.703 29.703 30.105 -0.402 18728 828 1 1 . 1 1 156 156 HIS H H 156 8.492 8.492 8.446 0.046 18728 829 1 1 . 1 1 157 157 ASP N N 157 122.539 122.539 120.042 2.497 18728 830 1 1 . 1 1 157 157 ASP HA H 157 4.254 4.254 4.323 -0.069 18728 831 1 1 . 1 1 157 157 ASP C C 157 178.233 178.233 178.189 0.044 18728 832 1 1 . 1 1 157 157 ASP CA C 157 57.047 57.047 57.704 -0.657 18728 833 1 1 . 1 1 157 157 ASP CB C 157 40.875 40.875 40.502 0.373 18728 834 1 1 . 1 1 157 157 ASP H H 157 8.345 8.345 8.320 0.025 18728 835 1 1 . 1 1 158 158 SER N N 158 113.623 113.623 114.214 -0.591 18728 836 1 1 . 1 1 158 158 SER HA H 158 3.899 3.899 4.054 -0.155 18728 837 1 1 . 1 1 158 158 SER C C 158 174.750 174.750 175.989 -1.239 18728 838 1 1 . 1 1 158 158 SER CA C 158 61.914 61.914 61.565 0.349 18728 839 1 1 . 1 1 158 158 SER CB C 158 63.088 63.088 62.338 0.750 18728 840 1 1 . 1 1 158 158 SER H H 158 7.424 7.424 7.997 -0.573 18728 841 1 1 . 1 1 159 159 VAL N N 159 118.448 118.448 122.313 -3.865 18728 842 1 1 . 1 1 159 159 VAL HA H 159 2.913 2.913 3.476 -0.563 18728 843 1 1 . 1 1 159 159 VAL C C 159 177.269 177.269 177.562 -0.293 18728 844 1 1 . 1 1 159 159 VAL CA C 159 66.512 66.512 65.987 0.525 18728 845 1 1 . 1 1 159 159 VAL CB C 159 31.395 31.395 31.415 -0.020 18728 846 1 1 . 1 1 159 159 VAL H H 159 6.484 6.484 6.926 -0.442 18728 847 1 1 . 1 1 160 160 ASP N N 160 119.064 119.064 119.970 -0.906 18728 848 1 1 . 1 1 160 160 ASP HA H 160 4.275 4.275 4.366 -0.091 18728 849 1 1 . 1 1 160 160 ASP C C 160 178.284 178.284 178.517 -0.233 18728 850 1 1 . 1 1 160 160 ASP CA C 160 57.798 57.798 57.857 -0.059 18728 851 1 1 . 1 1 160 160 ASP CB C 160 40.288 40.288 40.810 -0.522 18728 852 1 1 . 1 1 160 160 ASP H H 160 7.663 7.663 8.273 -0.610 18728 853 1 1 . 1 1 161 161 LYS N N 161 116.568 116.568 118.781 -2.213 18728 854 1 1 . 1 1 161 161 LYS HA H 161 4.030 4.030 4.063 -0.033 18728 855 1 1 . 1 1 161 161 LYS C C 161 178.205 178.205 178.383 -0.178 18728 856 1 1 . 1 1 161 161 LYS CA C 161 58.796 58.796 59.523 -0.727 18728 857 1 1 . 1 1 161 161 LYS CB C 161 33.298 33.298 32.675 0.623 18728 858 1 1 . 1 1 161 161 LYS H H 161 7.465 7.465 7.959 -0.494 18728 859 1 1 . 1 1 162 162 ILE N N 162 119.457 119.457 116.785 2.672 18728 860 1 1 . 1 1 162 162 ILE HA H 162 3.241 3.241 3.900 -0.659 18728 861 1 1 . 1 1 162 162 ILE C C 162 179.129 179.129 177.942 1.187 18728 862 1 1 . 1 1 162 162 ILE CA C 162 65.201 65.201 64.499 0.702 18728 863 1 1 . 1 1 162 162 ILE CB C 162 39.170 39.170 38.170 1.000 18728 864 1 1 . 1 1 162 162 ILE H H 162 7.367 7.367 7.077 0.290 18728 865 1 1 . 1 1 163 163 VAL N N 163 109.705 109.705 118.391 -8.686 18728 866 1 1 . 1 1 163 163 VAL HA H 163 4.093 4.093 3.954 0.139 18728 867 1 1 . 1 1 163 163 VAL C C 163 176.685 176.685 177.020 -0.335 18728 868 1 1 . 1 1 163 163 VAL CA C 163 64.137 64.137 64.332 -0.195 18728 869 1 1 . 1 1 163 163 VAL CB C 163 30.720 30.720 30.385 0.335 18728 870 1 1 . 1 1 163 163 VAL H H 163 7.814 7.814 7.865 -0.051 18728 871 1 1 . 1 1 164 164 ILE N N 164 118.885 118.885 119.167 -0.282 18728 872 1 1 . 1 1 164 164 ILE HA H 164 3.968 3.968 3.857 0.111 18728 873 1 1 . 1 1 164 164 ILE C C 164 176.006 176.006 176.715 -0.709 18728 874 1 1 . 1 1 164 164 ILE CA C 164 63.328 63.328 63.813 -0.485 18728 875 1 1 . 1 1 164 164 ILE CB C 164 38.136 38.136 38.165 -0.029 18728 876 1 1 . 1 1 164 164 ILE H H 164 6.979 6.979 7.272 -0.293 18728 877 1 1 . 1 1 165 165 GLN N N 165 120.509 120.509 117.583 2.926 18728 878 1 1 . 1 1 165 165 GLN HA H 165 4.472 4.472 4.488 -0.016 18728 879 1 1 . 1 1 165 165 GLN C C 165 174.808 174.808 174.978 -0.170 18728 880 1 1 . 1 1 165 165 GLN CA C 165 54.743 54.743 54.421 0.322 18728 881 1 1 . 1 1 165 165 GLN CB C 165 30.183 30.183 28.980 1.203 18728 882 1 1 . 1 1 165 165 GLN H H 165 7.490 7.490 7.775 -0.285 18728 883 1 1 . 1 1 166 166 LYS N N 166 122.953 122.953 124.166 -1.213 18728 884 1 1 . 1 1 166 166 LYS HA H 166 3.992 3.992 4.062 -0.070 18728 885 1 1 . 1 1 166 166 LYS C C 166 175.496 175.496 175.390 0.106 18728 886 1 1 . 1 1 166 166 LYS CA C 166 59.718 59.718 58.960 0.758 18728 887 1 1 . 1 1 166 166 LYS CB C 166 33.115 33.115 33.020 0.095 18728 888 1 1 . 1 1 166 166 LYS H H 166 8.085 8.085 8.768 -0.683 18728 889 1 1 . 1 1 167 167 TYR N N 167 114.210 114.210 114.369 -0.159 18728 890 1 1 . 1 1 167 167 TYR HA H 167 5.457 5.457 5.433 0.024 18728 891 1 1 . 1 1 167 167 TYR C C 167 175.593 175.593 175.792 -0.199 18728 892 1 1 . 1 1 167 167 TYR CA C 167 56.417 56.417 56.898 -0.481 18728 893 1 1 . 1 1 167 167 TYR CB C 167 40.057 40.057 40.943 -0.886 18728 894 1 1 . 1 1 167 167 TYR H H 167 7.740 7.740 7.649 0.091 18728 895 1 1 . 1 1 168 168 HIS N N 168 122.617 122.617 121.777 0.840 18728 896 1 1 . 1 1 168 168 HIS HA H 168 4.526 4.526 5.023 -0.497 18728 897 1 1 . 1 1 168 168 HIS C C 168 174.213 174.213 174.427 -0.214 18728 898 1 1 . 1 1 168 168 HIS CA C 168 55.233 55.233 55.077 0.157 18728 899 1 1 . 1 1 168 168 HIS CB C 168 34.906 34.906 34.358 0.548 18728 900 1 1 . 1 1 168 168 HIS H H 168 9.035 9.035 9.232 -0.197 18728 901 1 1 . 1 1 169 169 THR N N 169 121.981 121.981 119.355 2.626 18728 902 1 1 . 1 1 169 169 THR HA H 169 4.722 4.722 4.720 0.002 18728 903 1 1 . 1 1 169 169 THR C C 169 172.973 172.973 173.629 -0.656 18728 904 1 1 . 1 1 169 169 THR CA C 169 61.620 61.620 62.341 -0.721 18728 905 1 1 . 1 1 169 169 THR CB C 169 68.692 68.692 68.612 0.080 18728 906 1 1 . 1 1 169 169 THR H H 169 8.784 8.784 8.688 0.096 18728 907 1 1 . 1 1 170 170 VAL N N 170 125.540 125.540 126.186 -0.646 18728 908 1 1 . 1 1 170 170 VAL HA H 170 3.751 3.751 3.816 -0.065 18728 909 1 1 . 1 1 170 170 VAL C C 170 175.997 175.997 175.947 0.050 18728 910 1 1 . 1 1 170 170 VAL CA C 170 60.770 60.770 59.497 1.273 18728 911 1 1 . 1 1 170 170 VAL CB C 170 34.216 34.216 33.235 0.981 18728 912 1 1 . 1 1 170 170 VAL H H 170 8.268 8.268 8.875 -0.607 18728 913 1 1 . 1 1 171 171 ASN N N 171 126.811 126.811 125.492 1.319 18728 914 1 1 . 1 1 171 171 ASN HA H 171 4.065 4.065 4.235 -0.170 18728 915 1 1 . 1 1 171 171 ASN C C 171 174.266 174.266 175.093 -0.827 18728 916 1 1 . 1 1 171 171 ASN CA C 171 53.184 53.184 53.686 -0.502 18728 917 1 1 . 1 1 171 171 ASN CB C 171 37.436 37.436 37.684 -0.248 18728 918 1 1 . 1 1 171 171 ASN H H 171 9.437 9.437 9.014 0.423 18728 919 1 1 . 1 1 172 172 GLY N N 172 100.629 100.629 104.070 -3.441 18728 920 1 1 . 1 1 172 172 GLY C C 172 173.335 173.335 173.787 -0.452 18728 921 1 1 . 1 1 172 172 GLY CA C 172 45.154 45.154 45.536 -0.383 18728 922 1 1 . 1 1 172 172 GLY H H 172 8.194 8.194 8.385 -0.191 18728 923 1 1 . 1 1 173 173 HIS N N 173 119.555 119.555 118.645 0.910 18728 924 1 1 . 1 1 173 173 HIS HA H 173 4.860 4.860 4.665 0.195 18728 925 1 1 . 1 1 173 173 HIS CA C 173 53.723 53.723 55.134 -1.411 18728 926 1 1 . 1 1 173 173 HIS CB C 173 31.589 31.589 32.956 -1.367 18728 927 1 1 . 1 1 173 173 HIS H H 173 7.657 7.657 7.720 -0.063 18728 928 1 1 . 1 1 174 174 ASN N N 174 122.936 122.936 126.017 -3.081 18728 929 1 1 . 1 1 174 174 ASN HA H 174 4.794 4.794 5.193 -0.399 18728 930 1 1 . 1 1 174 174 ASN C C 174 174.918 174.918 174.758 0.160 18728 931 1 1 . 1 1 174 174 ASN CA C 174 53.748 53.748 54.197 -0.449 18728 932 1 1 . 1 1 174 174 ASN CB C 174 38.185 38.185 38.541 -0.356 18728 933 1 1 . 1 1 174 174 ASN H H 174 8.828 8.828 8.249 0.579 18728 934 1 1 . 1 1 175 175 CYS N N 175 126.425 126.425 122.788 3.637 18728 935 1 1 . 1 1 175 175 CYS HA H 175 4.872 4.872 4.734 0.138 18728 936 1 1 . 1 1 175 175 CYS C C 175 173.853 173.853 173.758 0.095 18728 937 1 1 . 1 1 175 175 CYS CA C 175 59.380 59.380 56.502 2.878 18728 938 1 1 . 1 1 175 175 CYS CB C 175 29.966 29.966 30.687 -0.721 18728 939 1 1 . 1 1 175 175 CYS H H 175 9.078 9.078 8.987 0.091 18728 940 1 1 . 1 1 176 176 GLU N N 176 124.488 124.488 121.576 2.912 18728 941 1 1 . 1 1 176 176 GLU HA H 176 4.661 4.661 4.750 -0.089 18728 942 1 1 . 1 1 176 176 GLU C C 176 175.343 175.343 175.424 -0.081 18728 943 1 1 . 1 1 176 176 GLU CA C 176 55.296 55.296 55.580 -0.284 18728 944 1 1 . 1 1 176 176 GLU CB C 176 31.550 31.550 31.552 -0.002 18728 945 1 1 . 1 1 176 176 GLU H H 176 8.161 8.161 8.666 -0.505 18728 946 1 1 . 1 1 177 177 VAL N N 177 122.521 122.521 120.972 1.549 18728 947 1 1 . 1 1 177 177 VAL HA H 177 5.628 5.628 5.680 -0.052 18728 948 1 1 . 1 1 177 177 VAL C C 177 175.720 175.720 174.228 1.492 18728 949 1 1 . 1 1 177 177 VAL CA C 177 59.713 59.713 58.950 0.763 18728 950 1 1 . 1 1 177 177 VAL CB C 177 34.523 34.523 36.370 -1.847 18728 951 1 1 . 1 1 177 177 VAL H H 177 8.684 8.684 9.014 -0.330 18728 952 1 1 . 1 1 178 178 ARG N N 178 119.915 119.915 117.403 2.512 18728 953 1 1 . 1 1 178 178 ARG HA H 178 4.746 4.746 4.615 0.131 18728 954 1 1 . 1 1 178 178 ARG C C 178 175.689 175.689 174.762 0.927 18728 955 1 1 . 1 1 178 178 ARG CA C 178 54.212 54.212 55.144 -0.932 18728 956 1 1 . 1 1 178 178 ARG CB C 178 34.184 34.184 32.428 1.756 18728 957 1 1 . 1 1 178 178 ARG H H 178 8.701 8.701 8.257 0.444 18728 958 1 1 . 1 1 179 179 LYS N N 179 121.001 121.001 120.871 0.130 18728 959 1 1 . 1 1 179 179 LYS HA H 179 4.098 4.098 4.284 -0.186 18728 960 1 1 . 1 1 179 179 LYS C C 179 176.026 176.026 176.169 -0.143 18728 961 1 1 . 1 1 179 179 LYS CA C 179 59.027 59.027 56.558 2.469 18728 962 1 1 . 1 1 179 179 LYS CB C 179 33.377 33.377 31.931 1.446 18728 963 1 1 . 1 1 179 179 LYS H H 179 8.990 8.990 8.277 0.713 18728 964 1 1 . 1 1 180 180 ALA N N 180 126.810 126.810 128.710 -1.900 18728 965 1 1 . 1 1 180 180 ALA HA H 180 4.565 4.565 4.749 -0.184 18728 966 1 1 . 1 1 180 180 ALA C C 180 175.318 175.318 175.498 -0.180 18728 967 1 1 . 1 1 180 180 ALA CA C 180 51.432 51.432 50.843 0.589 18728 968 1 1 . 1 1 180 180 ALA CB C 180 19.201 19.201 21.052 -1.851 18728 969 1 1 . 1 1 180 180 ALA H H 180 8.378 8.378 8.689 -0.311 18728 970 1 1 . 1 1 181 181 LEU N N 181 122.300 122.300 124.478 -2.178 18728 971 1 1 . 1 1 181 181 LEU HA H 181 4.401 4.401 4.494 -0.093 18728 972 1 1 . 1 1 181 181 LEU CA C 181 54.737 54.737 54.021 0.716 18728 973 1 1 . 1 1 181 181 LEU CB C 181 43.199 43.199 42.728 0.471 18728 974 1 1 . 1 1 181 181 LEU H H 181 8.001 8.001 8.563 -0.562 18728 975 1 1 . 1 1 182 182 SER HA H 182 4.406 4.406 4.321 0.085 18728 976 1 1 . 1 1 182 182 SER CA C 182 58.100 58.100 58.056 0.044 18728 977 1 1 . 1 1 182 182 SER CB C 182 64.440 64.440 64.091 0.349 18728 978 1 1 . 1 1 183 183 LYS HA H 183 4.101 4.101 3.988 0.113 18728 979 1 1 . 1 1 183 183 LYS C C 183 177.343 177.343 178.961 -1.618 18728 980 1 1 . 1 1 183 183 LYS CA C 183 57.744 57.744 59.314 -1.570 18728 981 1 1 . 1 1 183 183 LYS CB C 183 32.586 32.586 31.953 0.633 18728 982 1 1 . 1 1 184 184 GLN N N 184 120.056 120.056 119.937 0.119 18728 983 1 1 . 1 1 184 184 GLN HA H 184 4.167 4.167 4.063 0.104 18728 984 1 1 . 1 1 184 184 GLN C C 184 176.718 176.718 177.732 -1.014 18728 985 1 1 . 1 1 184 184 GLN CA C 184 56.981 56.981 59.581 -2.600 18728 986 1 1 . 1 1 184 184 GLN CB C 184 28.990 28.990 28.034 0.956 18728 987 1 1 . 1 1 184 184 GLN H H 184 8.320 8.320 8.756 -0.436 18728 988 1 1 . 1 1 185 185 GLU N N 185 121.610 121.610 119.872 1.738 18728 989 1 1 . 1 1 185 185 GLU HA H 185 4.132 4.132 4.071 0.061 18728 990 1 1 . 1 1 185 185 GLU C C 185 177.117 177.117 179.276 -2.159 18728 991 1 1 . 1 1 185 185 GLU CA C 185 57.234 57.234 59.391 -2.157 18728 992 1 1 . 1 1 185 185 GLU CB C 185 30.235 30.235 28.878 1.357 18728 993 1 1 . 1 1 185 185 GLU H H 185 8.143 8.143 8.670 -0.527 18728 994 1 1 . 1 1 186 186 MET N N 186 120.092 120.092 118.265 1.827 18728 995 1 1 . 1 1 186 186 MET HA H 186 4.289 4.289 4.180 0.109 18728 996 1 1 . 1 1 186 186 MET C C 186 176.438 176.438 178.257 -1.819 18728 997 1 1 . 1 1 186 186 MET CA C 186 56.069 56.069 58.614 -2.546 18728 998 1 1 . 1 1 186 186 MET CB C 186 32.847 32.847 32.590 0.257 18728 999 1 1 . 1 1 186 186 MET H H 186 8.195 8.195 8.441 -0.246 18728 1000 1 1 . 1 1 187 187 ALA N N 187 124.104 124.104 121.622 2.482 18728 1001 1 1 . 1 1 187 187 ALA HA H 187 4.297 4.297 4.183 0.114 18728 1002 1 1 . 1 1 187 187 ALA C C 187 178.107 178.107 178.352 -0.245 18728 1003 1 1 . 1 1 187 187 ALA CA C 187 52.912 52.912 53.260 -0.348 18728 1004 1 1 . 1 1 187 187 ALA CB C 187 19.060 19.060 19.369 -0.309 18728 1005 1 1 . 1 1 187 187 ALA H H 187 8.060 8.060 7.784 0.276 18728 1006 1 1 . 1 1 188 188 SER N N 188 114.374 114.374 113.075 1.299 18728 1007 1 1 . 1 1 188 188 SER HA H 188 4.357 4.357 4.082 0.275 18728 1008 1 1 . 1 1 188 188 SER C C 188 174.757 174.757 173.917 0.840 18728 1009 1 1 . 1 1 188 188 SER CA C 188 58.598 58.598 59.300 -0.702 18728 1010 1 1 . 1 1 188 188 SER CB C 188 63.734 63.734 61.484 2.250 18728 1011 1 1 . 1 1 188 188 SER H H 188 8.173 8.173 8.397 -0.224 18728 1012 1 1 . 1 1 189 189 ALA N N 189 125.637 125.637 121.672 3.965 18728 1013 1 1 . 1 1 189 189 ALA HA H 189 4.246 4.246 4.540 -0.294 18728 1014 1 1 . 1 1 189 189 ALA CA C 189 53.015 53.015 50.950 2.065 18728 1015 1 1 . 1 1 189 189 ALA CB C 189 19.069 19.069 20.458 -1.389 18728 1016 1 1 . 1 1 189 189 ALA H H 189 8.207 8.207 7.796 0.411 18728 1017 1 2 . 1 1 5 5 GLU N N 5 122.509 122.509 124.742 -2.233 18728 1018 1 2 . 1 1 5 5 GLU HA H 5 4.345 4.345 4.650 -0.305 18728 1019 1 2 . 1 1 5 5 GLU C C 5 176.240 176.240 175.708 0.532 18728 1020 1 2 . 1 1 5 5 GLU CA C 5 56.190 56.190 56.089 0.101 18728 1021 1 2 . 1 1 5 5 GLU CB C 5 30.611 30.611 30.602 0.009 18728 1022 1 2 . 1 1 5 5 GLU H H 5 8.321 8.321 8.544 -0.223 18728 1023 1 2 . 1 1 6 6 SER N N 6 118.728 118.728 116.602 2.126 18728 1024 1 2 . 1 1 6 6 SER HA H 6 4.342 4.342 4.800 -0.458 18728 1025 1 2 . 1 1 6 6 SER CA C 6 56.305 56.305 55.833 0.472 18728 1026 1 2 . 1 1 6 6 SER CB C 6 63.241 63.241 63.937 -0.696 18728 1027 1 2 . 1 1 6 6 SER H H 6 8.349 8.349 7.768 0.581 18728 1028 1 2 . 1 1 7 7 PRO HA H 7 4.427 4.427 4.880 -0.453 18728 1029 1 2 . 1 1 7 7 PRO C C 7 177.027 177.027 176.028 0.999 18728 1030 1 2 . 1 1 7 7 PRO CA C 7 63.271 63.271 62.416 0.855 18728 1031 1 2 . 1 1 7 7 PRO CB C 7 32.111 32.111 33.064 -0.953 18728 1032 1 2 . 1 1 8 8 LYS N N 8 121.819 121.819 116.710 5.109 18728 1033 1 2 . 1 1 8 8 LYS HA H 8 4.290 4.290 4.366 -0.076 18728 1034 1 2 . 1 1 8 8 LYS C C 8 177.015 177.015 176.226 0.789 18728 1035 1 2 . 1 1 8 8 LYS CA C 8 56.455 56.455 56.542 -0.087 18728 1036 1 2 . 1 1 8 8 LYS CB C 8 33.341 33.341 32.335 1.006 18728 1037 1 2 . 1 1 8 8 LYS H H 8 8.445 8.445 8.409 0.036 18728 1038 1 2 . 1 1 9 9 GLU N N 9 121.243 121.243 124.071 -2.828 18728 1039 1 2 . 1 1 9 9 GLU HA H 9 4.606 4.606 4.545 0.061 18728 1040 1 2 . 1 1 9 9 GLU CA C 9 54.480 54.480 54.545 -0.065 18728 1041 1 2 . 1 1 9 9 GLU CB C 9 29.572 29.572 29.230 0.342 18728 1042 1 2 . 1 1 9 9 GLU H H 9 8.313 8.313 8.343 -0.030 18728 1043 1 2 . 1 1 10 10 PRO HA H 10 4.335 4.335 4.390 -0.055 18728 1044 1 2 . 1 1 10 10 PRO C C 10 177.491 177.491 177.943 -0.452 18728 1045 1 2 . 1 1 10 10 PRO CA C 10 63.587 63.587 62.519 1.068 18728 1046 1 2 . 1 1 10 10 PRO CB C 10 32.374 32.374 33.010 -0.635 18728 1047 1 2 . 1 1 11 11 GLU N N 11 123.071 123.071 120.982 2.089 18728 1048 1 2 . 1 1 11 11 GLU HA H 11 3.686 3.686 3.861 -0.175 18728 1049 1 2 . 1 1 11 11 GLU C C 11 177.984 177.984 178.119 -0.135 18728 1050 1 2 . 1 1 11 11 GLU CA C 11 59.651 59.651 59.860 -0.209 18728 1051 1 2 . 1 1 11 11 GLU CB C 11 29.819 29.819 28.800 1.019 18728 1052 1 2 . 1 1 11 11 GLU H H 11 8.692 8.692 8.803 -0.111 18728 1053 1 2 . 1 1 12 12 GLN N N 12 116.079 116.079 115.666 0.413 18728 1054 1 2 . 1 1 12 12 GLN HA H 12 3.979 3.979 4.174 -0.195 18728 1055 1 2 . 1 1 12 12 GLN C C 12 177.579 177.579 176.895 0.684 18728 1056 1 2 . 1 1 12 12 GLN CA C 12 58.526 58.526 58.224 0.302 18728 1057 1 2 . 1 1 12 12 GLN CB C 12 28.112 28.112 28.328 -0.216 18728 1058 1 2 . 1 1 12 12 GLN H H 12 8.647 8.647 8.401 0.246 18728 1059 1 2 . 1 1 13 13 LEU N N 13 116.530 116.530 117.868 -1.338 18728 1060 1 2 . 1 1 13 13 LEU HA H 13 4.264 4.264 4.470 -0.206 18728 1061 1 2 . 1 1 13 13 LEU C C 13 177.080 177.080 177.509 -0.429 18728 1062 1 2 . 1 1 13 13 LEU CA C 13 55.945 55.945 55.773 0.172 18728 1063 1 2 . 1 1 13 13 LEU CB C 13 42.317 42.317 42.615 -0.298 18728 1064 1 2 . 1 1 13 13 LEU H H 13 7.471 7.471 7.863 -0.392 18728 1065 1 2 . 1 1 14 14 ARG N N 14 116.981 116.981 116.775 0.206 18728 1066 1 2 . 1 1 14 14 ARG HA H 14 4.417 4.417 4.610 -0.193 18728 1067 1 2 . 1 1 14 14 ARG C C 14 172.996 172.996 176.151 -3.155 18728 1068 1 2 . 1 1 14 14 ARG CA C 14 56.067 56.067 55.854 0.213 18728 1069 1 2 . 1 1 14 14 ARG CB C 14 29.944 29.944 31.478 -1.534 18728 1070 1 2 . 1 1 14 14 ARG H H 14 7.576 7.576 7.708 -0.132 18728 1071 1 2 . 1 1 15 15 LYS N N 15 119.990 119.990 122.202 -2.212 18728 1072 1 2 . 1 1 15 15 LYS HA H 15 5.198 5.198 4.964 0.234 18728 1073 1 2 . 1 1 15 15 LYS CA C 15 55.301 55.301 55.676 -0.375 18728 1074 1 2 . 1 1 15 15 LYS CB C 15 35.888 35.888 35.164 0.724 18728 1075 1 2 . 1 1 15 15 LYS H H 15 6.946 6.946 8.177 -1.231 18728 1076 1 2 . 1 1 16 16 LEU N N 16 126.081 126.081 123.467 2.614 18728 1077 1 2 . 1 1 16 16 LEU HA H 16 5.016 5.016 5.173 -0.157 18728 1078 1 2 . 1 1 16 16 LEU C C 16 176.309 176.309 175.481 0.828 18728 1079 1 2 . 1 1 16 16 LEU CA C 16 53.334 53.334 53.185 0.149 18728 1080 1 2 . 1 1 16 16 LEU CB C 16 45.062 45.062 45.837 -0.776 18728 1081 1 2 . 1 1 16 16 LEU H H 16 9.605 9.605 9.008 0.597 18728 1082 1 2 . 1 1 17 17 PHE N N 17 123.569 123.569 124.223 -0.654 18728 1083 1 2 . 1 1 17 17 PHE HA H 17 4.585 4.585 5.159 -0.574 18728 1084 1 2 . 1 1 17 17 PHE C C 17 174.362 174.362 173.713 0.649 18728 1085 1 2 . 1 1 17 17 PHE CA C 17 57.153 57.153 56.081 1.071 18728 1086 1 2 . 1 1 17 17 PHE CB C 17 40.603 40.603 41.722 -1.119 18728 1087 1 2 . 1 1 17 17 PHE H H 17 9.023 9.023 9.367 -0.344 18728 1088 1 2 . 1 1 18 18 ILE N N 18 126.932 126.932 126.970 -0.038 18728 1089 1 2 . 1 1 18 18 ILE HA H 18 4.029 4.029 4.296 -0.267 18728 1090 1 2 . 1 1 18 18 ILE C C 18 173.832 173.832 174.757 -0.925 18728 1091 1 2 . 1 1 18 18 ILE CA C 18 59.156 59.156 57.876 1.280 18728 1092 1 2 . 1 1 18 18 ILE CB C 18 36.909 36.909 37.095 -0.186 18728 1093 1 2 . 1 1 18 18 ILE H H 18 8.486 8.486 8.461 0.025 18728 1094 1 2 . 1 1 19 19 GLY N N 19 112.953 112.953 112.579 0.374 18728 1095 1 2 . 1 1 19 19 GLY C C 19 174.426 174.426 173.819 0.607 18728 1096 1 2 . 1 1 19 19 GLY CA C 19 43.611 43.611 43.212 0.399 18728 1097 1 2 . 1 1 19 19 GLY H H 19 7.948 7.948 8.726 -0.778 18728 1098 1 2 . 1 1 20 20 GLY N N 20 107.584 107.584 110.936 -3.352 18728 1099 1 2 . 1 1 20 20 GLY C C 20 175.563 175.563 174.249 1.314 18728 1100 1 2 . 1 1 20 20 GLY CA C 20 46.530 46.530 45.094 1.436 18728 1101 1 2 . 1 1 20 20 GLY H H 20 8.542 8.542 8.122 0.420 18728 1102 1 2 . 1 1 21 21 LEU N N 21 115.232 115.232 120.126 -4.894 18728 1103 1 2 . 1 1 21 21 LEU HA H 21 4.025 4.025 4.183 -0.158 18728 1104 1 2 . 1 1 21 21 LEU C C 21 179.121 179.121 176.467 2.654 18728 1105 1 2 . 1 1 21 21 LEU CA C 21 54.192 54.192 54.184 0.008 18728 1106 1 2 . 1 1 21 21 LEU CB C 21 42.892 42.892 42.739 0.153 18728 1107 1 2 . 1 1 21 21 LEU H H 21 7.472 7.472 7.851 -0.379 18728 1108 1 2 . 1 1 22 22 SER N N 22 114.737 114.737 113.676 1.061 18728 1109 1 2 . 1 1 22 22 SER HA H 22 4.125 4.125 4.307 -0.182 18728 1110 1 2 . 1 1 22 22 SER C C 22 177.842 177.842 175.816 2.026 18728 1111 1 2 . 1 1 22 22 SER CA C 22 57.635 57.635 57.299 0.336 18728 1112 1 2 . 1 1 22 22 SER CB C 22 63.106 63.106 64.909 -1.803 18728 1113 1 2 . 1 1 22 22 SER H H 22 9.136 9.136 8.032 1.104 18728 1114 1 2 . 1 1 23 23 PHE N N 23 128.194 128.194 117.804 10.390 18728 1115 1 2 . 1 1 23 23 PHE HA H 23 4.307 4.307 4.567 -0.260 18728 1116 1 2 . 1 1 23 23 PHE C C 23 175.626 175.626 177.031 -1.405 18728 1117 1 2 . 1 1 23 23 PHE CA C 23 60.205 60.205 59.983 0.222 18728 1118 1 2 . 1 1 23 23 PHE CB C 23 37.570 37.570 38.912 -1.342 18728 1119 1 2 . 1 1 23 23 PHE H H 23 9.034 9.034 8.672 0.362 18728 1120 1 2 . 1 1 24 24 GLU N N 24 116.093 116.093 114.401 1.692 18728 1121 1 2 . 1 1 24 24 GLU HA H 24 4.255 4.255 4.530 -0.275 18728 1122 1 2 . 1 1 24 24 GLU C C 24 177.429 177.429 176.080 1.349 18728 1123 1 2 . 1 1 24 24 GLU CA C 24 56.522 56.522 55.910 0.612 18728 1124 1 2 . 1 1 24 24 GLU CB C 24 29.980 29.980 29.783 0.197 18728 1125 1 2 . 1 1 24 24 GLU H H 24 8.295 8.295 8.524 -0.229 18728 1126 1 2 . 1 1 25 25 THR N N 25 118.836 118.836 119.177 -0.341 18728 1127 1 2 . 1 1 25 25 THR HA H 25 4.091 4.091 4.219 -0.128 18728 1128 1 2 . 1 1 25 25 THR C C 25 174.238 174.238 174.399 -0.161 18728 1129 1 2 . 1 1 25 25 THR CA C 25 64.862 64.862 64.382 0.480 18728 1130 1 2 . 1 1 25 25 THR CB C 25 68.584 68.584 69.165 -0.581 18728 1131 1 2 . 1 1 25 25 THR H H 25 7.280 7.280 7.366 -0.086 18728 1132 1 2 . 1 1 26 26 THR N N 26 119.434 119.434 118.685 0.749 18728 1133 1 2 . 1 1 26 26 THR HA H 26 4.484 4.484 4.531 -0.047 18728 1134 1 2 . 1 1 26 26 THR C C 26 174.563 174.563 174.817 -0.254 18728 1135 1 2 . 1 1 26 26 THR CA C 26 59.361 59.361 59.854 -0.493 18728 1136 1 2 . 1 1 26 26 THR CB C 26 72.727 72.727 71.507 1.220 18728 1137 1 2 . 1 1 26 26 THR H H 26 8.447 8.447 8.228 0.219 18728 1138 1 2 . 1 1 27 27 ASP N N 27 120.342 120.342 121.706 -1.364 18728 1139 1 2 . 1 1 27 27 ASP HA H 27 3.920 3.920 4.311 -0.391 18728 1140 1 2 . 1 1 27 27 ASP C C 27 178.347 178.347 177.528 0.819 18728 1141 1 2 . 1 1 27 27 ASP CA C 27 58.148 58.148 57.448 0.700 18728 1142 1 2 . 1 1 27 27 ASP CB C 27 39.954 39.954 40.286 -0.332 18728 1143 1 2 . 1 1 27 27 ASP H H 27 8.794 8.794 8.861 -0.067 18728 1144 1 2 . 1 1 28 28 GLU N N 28 116.494 116.494 117.924 -1.430 18728 1145 1 2 . 1 1 28 28 GLU HA H 28 3.993 3.993 4.098 -0.105 18728 1146 1 2 . 1 1 28 28 GLU C C 28 178.987 178.987 178.420 0.567 18728 1147 1 2 . 1 1 28 28 GLU CA C 28 60.281 60.281 59.078 1.203 18728 1148 1 2 . 1 1 28 28 GLU CB C 28 29.193 29.193 28.782 0.412 18728 1149 1 2 . 1 1 28 28 GLU H H 28 8.444 8.444 8.660 -0.216 18728 1150 1 2 . 1 1 29 29 SER N N 29 120.532 120.532 117.256 3.276 18728 1151 1 2 . 1 1 29 29 SER HA H 29 4.333 4.333 4.307 0.026 18728 1152 1 2 . 1 1 29 29 SER C C 29 178.125 178.125 176.326 1.799 18728 1153 1 2 . 1 1 29 29 SER CA C 29 61.720 61.720 61.602 0.118 18728 1154 1 2 . 1 1 29 29 SER H H 29 8.384 8.384 7.792 0.592 18728 1155 1 2 . 1 1 30 30 LEU N N 30 126.754 126.754 123.860 2.894 18728 1156 1 2 . 1 1 30 30 LEU HA H 30 4.080 4.080 4.130 -0.050 18728 1157 1 2 . 1 1 30 30 LEU C C 30 178.341 178.341 177.704 0.637 18728 1158 1 2 . 1 1 30 30 LEU CA C 30 58.073 58.073 57.792 0.281 18728 1159 1 2 . 1 1 30 30 LEU CB C 30 42.524 42.524 41.737 0.787 18728 1160 1 2 . 1 1 30 30 LEU H H 30 8.487 8.487 8.094 0.393 18728 1161 1 2 . 1 1 31 31 ARG N N 31 121.192 121.192 119.178 2.014 18728 1162 1 2 . 1 1 31 31 ARG HA H 31 3.863 3.863 3.859 0.004 18728 1163 1 2 . 1 1 31 31 ARG C C 31 177.765 177.765 178.320 -0.555 18728 1164 1 2 . 1 1 31 31 ARG CA C 31 59.706 59.706 60.086 -0.380 18728 1165 1 2 . 1 1 31 31 ARG CB C 31 30.648 30.648 29.992 0.656 18728 1166 1 2 . 1 1 31 31 ARG H H 31 7.980 7.980 8.170 -0.190 18728 1167 1 2 . 1 1 32 32 SER N N 32 112.868 112.868 113.577 -0.709 18728 1168 1 2 . 1 1 32 32 SER HA H 32 4.104 4.104 4.179 -0.075 18728 1169 1 2 . 1 1 32 32 SER C C 32 176.416 176.416 176.951 -0.535 18728 1170 1 2 . 1 1 32 32 SER CA C 32 61.437 61.437 61.667 -0.230 18728 1171 1 2 . 1 1 32 32 SER CB C 32 62.933 62.933 62.959 -0.026 18728 1172 1 2 . 1 1 32 32 SER H H 32 8.295 8.295 8.032 0.263 18728 1173 1 2 . 1 1 33 33 HIS N N 33 115.910 115.910 122.066 -6.156 18728 1174 1 2 . 1 1 33 33 HIS HA H 33 4.346 4.346 4.340 0.006 18728 1175 1 2 . 1 1 33 33 HIS C C 33 177.510 177.510 177.953 -0.443 18728 1176 1 2 . 1 1 33 33 HIS CA C 33 60.373 60.373 59.932 0.441 18728 1177 1 2 . 1 1 33 33 HIS CB C 33 30.776 30.776 30.050 0.726 18728 1178 1 2 . 1 1 33 33 HIS H H 33 7.406 7.406 7.810 -0.404 18728 1179 1 2 . 1 1 34 34 PHE N N 34 113.562 113.562 118.925 -5.363 18728 1180 1 2 . 1 1 34 34 PHE HA H 34 4.526 4.526 4.792 -0.266 18728 1181 1 2 . 1 1 34 34 PHE C C 34 179.061 179.061 178.403 0.658 18728 1182 1 2 . 1 1 34 34 PHE CA C 34 64.104 64.104 62.035 2.069 18728 1183 1 2 . 1 1 34 34 PHE CB C 34 38.379 38.379 39.196 -0.816 18728 1184 1 2 . 1 1 34 34 PHE H H 34 8.227 8.227 8.378 -0.151 18728 1185 1 2 . 1 1 35 35 GLU N N 35 124.490 124.490 120.468 4.022 18728 1186 1 2 . 1 1 35 35 GLU HA H 35 4.962 4.962 4.508 0.454 18728 1187 1 2 . 1 1 35 35 GLU C C 35 176.476 176.476 177.571 -1.095 18728 1188 1 2 . 1 1 35 35 GLU CA C 35 57.950 57.950 58.334 -0.384 18728 1189 1 2 . 1 1 35 35 GLU CB C 35 28.690 28.690 29.357 -0.667 18728 1190 1 2 . 1 1 35 35 GLU H H 35 9.219 9.219 8.650 0.569 18728 1191 1 2 . 1 1 36 36 GLN N N 36 116.596 116.596 117.094 -0.498 18728 1192 1 2 . 1 1 36 36 GLN HA H 36 3.706 3.706 3.969 -0.263 18728 1193 1 2 . 1 1 36 36 GLN C C 36 176.486 176.486 177.315 -0.829 18728 1194 1 2 . 1 1 36 36 GLN CA C 36 58.206 58.206 57.693 0.513 18728 1195 1 2 . 1 1 36 36 GLN CB C 36 27.731 27.731 28.250 -0.519 18728 1196 1 2 . 1 1 36 36 GLN H H 36 7.011 7.011 7.529 -0.518 18728 1197 1 2 . 1 1 37 37 TRP N N 37 114.690 114.690 117.216 -2.526 18728 1198 1 2 . 1 1 37 37 TRP HA H 37 4.481 4.481 4.872 -0.391 18728 1199 1 2 . 1 1 37 37 TRP C C 37 173.662 173.662 176.448 -2.786 18728 1200 1 2 . 1 1 37 37 TRP CA C 37 61.557 61.557 58.384 3.173 18728 1201 1 2 . 1 1 37 37 TRP CB C 37 29.074 29.074 31.467 -2.393 18728 1202 1 2 . 1 1 37 37 TRP H H 37 7.017 7.017 7.863 -0.846 18728 1203 1 2 . 1 1 38 38 GLY N N 38 105.060 105.060 104.406 0.654 18728 1204 1 2 . 1 1 38 38 GLY C C 38 171.596 171.596 172.406 -0.810 18728 1205 1 2 . 1 1 38 38 GLY CA C 38 45.545 45.545 45.041 0.504 18728 1206 1 2 . 1 1 38 38 GLY H H 38 7.294 7.294 7.723 -0.429 18728 1207 1 2 . 1 1 39 39 THR N N 39 117.179 117.179 118.613 -1.434 18728 1208 1 2 . 1 1 39 39 THR HA H 39 4.231 4.231 4.263 -0.032 18728 1209 1 2 . 1 1 39 39 THR C C 39 173.760 173.760 174.158 -0.398 18728 1210 1 2 . 1 1 39 39 THR CA C 39 62.904 62.904 64.423 -1.519 18728 1211 1 2 . 1 1 39 39 THR CB C 39 69.813 69.813 68.923 0.890 18728 1212 1 2 . 1 1 39 39 THR H H 39 8.770 8.770 8.480 0.290 18728 1213 1 2 . 1 1 40 40 LEU N N 40 126.702 126.702 128.005 -1.303 18728 1214 1 2 . 1 1 40 40 LEU HA H 40 4.943 4.943 4.542 0.401 18728 1215 1 2 . 1 1 40 40 LEU C C 40 178.358 178.358 177.561 0.797 18728 1216 1 2 . 1 1 40 40 LEU CA C 40 52.969 52.969 54.654 -1.685 18728 1217 1 2 . 1 1 40 40 LEU CB C 40 41.893 41.893 42.462 -0.569 18728 1218 1 2 . 1 1 40 40 LEU H H 40 8.831 8.831 8.585 0.246 18728 1219 1 2 . 1 1 41 41 THR N N 41 117.175 117.175 116.653 0.522 18728 1220 1 2 . 1 1 41 41 THR HA H 41 4.197 4.197 4.420 -0.223 18728 1221 1 2 . 1 1 41 41 THR C C 41 175.050 175.050 174.424 0.626 18728 1222 1 2 . 1 1 41 41 THR CA C 41 62.668 62.668 62.037 0.631 18728 1223 1 2 . 1 1 41 41 THR CB C 41 67.618 67.618 69.901 -2.283 18728 1224 1 2 . 1 1 41 41 THR H H 41 8.926 8.926 8.988 -0.062 18728 1225 1 2 . 1 1 42 42 ASP N N 42 118.764 118.764 120.395 -1.631 18728 1226 1 2 . 1 1 42 42 ASP HA H 42 4.620 4.620 4.863 -0.243 18728 1227 1 2 . 1 1 42 42 ASP C C 42 174.637 174.637 173.463 1.174 18728 1228 1 2 . 1 1 42 42 ASP CA C 42 54.235 54.235 53.805 0.430 18728 1229 1 2 . 1 1 42 42 ASP CB C 42 44.253 44.253 43.881 0.372 18728 1230 1 2 . 1 1 42 42 ASP H H 42 7.513 7.513 7.836 -0.323 18728 1231 1 2 . 1 1 43 43 CYS N N 43 123.632 123.632 122.310 1.322 18728 1232 1 2 . 1 1 43 43 CYS HA H 43 4.842 4.842 5.402 -0.560 18728 1233 1 2 . 1 1 43 43 CYS C C 43 171.885 171.885 172.507 -0.622 18728 1234 1 2 . 1 1 43 43 CYS CA C 43 59.376 59.376 58.057 1.319 18728 1235 1 2 . 1 1 43 43 CYS CB C 43 26.377 26.377 29.948 -3.571 18728 1236 1 2 . 1 1 43 43 CYS H H 43 8.436 8.436 8.606 -0.170 18728 1237 1 2 . 1 1 44 44 VAL N N 44 126.787 126.787 125.800 0.987 18728 1238 1 2 . 1 1 44 44 VAL HA H 44 4.576 4.576 4.509 0.067 18728 1239 1 2 . 1 1 44 44 VAL C C 44 173.371 173.371 173.267 0.104 18728 1240 1 2 . 1 1 44 44 VAL CA C 44 60.151 60.151 60.794 -0.643 18728 1241 1 2 . 1 1 44 44 VAL CB C 44 36.424 36.424 35.682 0.742 18728 1242 1 2 . 1 1 44 44 VAL H H 44 8.737 8.737 8.910 -0.173 18728 1243 1 2 . 1 1 45 45 VAL N N 45 125.522 125.522 127.237 -1.715 18728 1244 1 2 . 1 1 45 45 VAL HA H 45 3.711 3.711 4.090 -0.379 18728 1245 1 2 . 1 1 45 45 VAL C C 45 176.674 176.674 174.708 1.966 18728 1246 1 2 . 1 1 45 45 VAL CA C 45 62.509 62.509 61.833 0.676 18728 1247 1 2 . 1 1 45 45 VAL CB C 45 33.175 33.175 33.288 -0.113 18728 1248 1 2 . 1 1 45 45 VAL H H 45 8.269 8.269 8.454 -0.185 18728 1249 1 2 . 1 1 46 46 MET N N 46 126.833 126.833 129.107 -2.274 18728 1250 1 2 . 1 1 46 46 MET HA H 46 4.441 4.441 4.338 0.103 18728 1251 1 2 . 1 1 46 46 MET C C 46 175.413 175.413 174.954 0.459 18728 1252 1 2 . 1 1 46 46 MET CA C 46 54.852 54.852 54.455 0.397 18728 1253 1 2 . 1 1 46 46 MET CB C 46 30.454 30.454 29.698 0.756 18728 1254 1 2 . 1 1 46 46 MET H H 46 8.445 8.445 8.320 0.125 18728 1255 1 2 . 1 1 47 47 ARG N N 47 120.697 120.697 123.453 -2.756 18728 1256 1 2 . 1 1 47 47 ARG HA H 47 4.838 4.838 4.765 0.073 18728 1257 1 2 . 1 1 47 47 ARG CA C 47 54.308 54.308 54.483 -0.175 18728 1258 1 2 . 1 1 47 47 ARG CB C 47 34.048 34.048 32.492 1.556 18728 1259 1 2 . 1 1 47 47 ARG H H 47 8.308 8.308 7.920 0.388 18728 1260 1 2 . 1 1 48 48 ASP N N 48 125.146 125.146 121.564 3.582 18728 1261 1 2 . 1 1 48 48 ASP HA H 48 4.686 4.686 4.908 -0.222 18728 1262 1 2 . 1 1 48 48 ASP C C 48 176.046 176.046 176.032 0.014 18728 1263 1 2 . 1 1 48 48 ASP CA C 48 52.106 52.106 51.877 0.229 18728 1264 1 2 . 1 1 48 48 ASP CB C 48 42.878 42.878 42.106 0.772 18728 1265 1 2 . 1 1 48 48 ASP H H 48 8.577 8.577 8.448 0.129 18728 1266 1 2 . 1 1 49 49 PRO HA H 49 4.310 4.310 4.276 0.034 18728 1267 1 2 . 1 1 49 49 PRO C C 49 177.166 177.166 177.900 -0.734 18728 1268 1 2 . 1 1 49 49 PRO CA C 49 64.584 64.584 64.796 -0.212 18728 1269 1 2 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.163 -0.026 18728 1270 1 2 . 1 1 50 50 ASN N N 50 115.474 115.474 117.970 -2.496 18728 1271 1 2 . 1 1 50 50 ASN HA H 50 4.723 4.723 4.682 0.041 18728 1272 1 2 . 1 1 50 50 ASN C C 50 176.642 176.642 177.275 -0.633 18728 1273 1 2 . 1 1 50 50 ASN CA C 50 55.444 55.444 56.030 -0.586 18728 1274 1 2 . 1 1 50 50 ASN CB C 50 39.455 39.455 39.595 -0.140 18728 1275 1 2 . 1 1 50 50 ASN H H 50 8.560 8.560 8.439 0.121 18728 1276 1 2 . 1 1 51 51 THR N N 51 108.788 108.788 113.937 -5.149 18728 1277 1 2 . 1 1 51 51 THR HA H 51 4.264 4.264 4.394 -0.130 18728 1278 1 2 . 1 1 51 51 THR C C 51 176.018 176.018 174.314 1.704 18728 1279 1 2 . 1 1 51 51 THR CA C 51 62.063 62.063 62.794 -0.731 18728 1280 1 2 . 1 1 51 51 THR CB C 51 70.768 70.768 69.680 1.088 18728 1281 1 2 . 1 1 51 51 THR H H 51 8.277 8.277 8.638 -0.361 18728 1282 1 2 . 1 1 52 52 LYS N N 52 114.615 114.615 116.598 -1.983 18728 1283 1 2 . 1 1 52 52 LYS HA H 52 3.917 3.917 4.083 -0.166 18728 1284 1 2 . 1 1 52 52 LYS C C 52 175.376 175.376 175.058 0.318 18728 1285 1 2 . 1 1 52 52 LYS CA C 52 57.902 57.902 57.004 0.898 18728 1286 1 2 . 1 1 52 52 LYS CB C 52 29.293 29.293 29.967 -0.674 18728 1287 1 2 . 1 1 52 52 LYS H H 52 8.091 8.091 8.031 0.060 18728 1288 1 2 . 1 1 53 53 ARG N N 53 120.395 120.395 116.627 3.768 18728 1289 1 2 . 1 1 53 53 ARG HA H 53 4.169 4.169 4.598 -0.429 18728 1290 1 2 . 1 1 53 53 ARG C C 53 176.619 176.619 176.378 0.241 18728 1291 1 2 . 1 1 53 53 ARG CA C 53 56.233 56.233 53.486 2.748 18728 1292 1 2 . 1 1 53 53 ARG CB C 53 31.045 31.045 31.965 -0.920 18728 1293 1 2 . 1 1 53 53 ARG H H 53 7.847 7.847 7.478 0.369 18728 1294 1 2 . 1 1 54 54 SER N N 54 116.987 116.987 116.417 0.570 18728 1295 1 2 . 1 1 54 54 SER HA H 54 4.186 4.186 4.393 -0.207 18728 1296 1 2 . 1 1 54 54 SER C C 54 175.755 175.755 175.582 0.173 18728 1297 1 2 . 1 1 54 54 SER CA C 54 58.559 58.559 58.469 0.090 18728 1298 1 2 . 1 1 54 54 SER CB C 54 63.922 63.922 63.798 0.124 18728 1299 1 2 . 1 1 54 54 SER H H 54 8.810 8.810 8.319 0.491 18728 1300 1 2 . 1 1 55 55 ARG N N 55 123.427 123.427 128.332 -4.905 18728 1301 1 2 . 1 1 55 55 ARG HA H 55 4.403 4.403 4.334 0.069 18728 1302 1 2 . 1 1 55 55 ARG C C 55 177.962 177.962 176.828 1.134 18728 1303 1 2 . 1 1 55 55 ARG CA C 55 56.096 56.096 55.993 0.103 18728 1304 1 2 . 1 1 55 55 ARG CB C 55 31.294 31.294 30.175 1.119 18728 1305 1 2 . 1 1 55 55 ARG H H 55 8.976 8.976 8.704 0.272 18728 1306 1 2 . 1 1 56 56 GLY N N 56 107.308 107.308 106.888 0.420 18728 1307 1 2 . 1 1 56 56 GLY C C 56 171.856 171.856 173.587 -1.731 18728 1308 1 2 . 1 1 56 56 GLY CA C 56 45.669 45.669 45.123 0.546 18728 1309 1 2 . 1 1 56 56 GLY H H 56 9.375 9.375 7.932 1.443 18728 1310 1 2 . 1 1 57 57 PHE N N 57 112.537 112.537 115.063 -2.526 18728 1311 1 2 . 1 1 57 57 PHE HA H 57 5.201 5.201 5.377 -0.176 18728 1312 1 2 . 1 1 57 57 PHE C C 57 172.646 172.646 173.005 -0.359 18728 1313 1 2 . 1 1 57 57 PHE CA C 57 54.918 54.918 55.254 -0.336 18728 1314 1 2 . 1 1 57 57 PHE CB C 57 41.743 41.743 40.926 0.817 18728 1315 1 2 . 1 1 57 57 PHE H H 57 7.044 7.044 7.077 -0.033 18728 1316 1 2 . 1 1 58 58 GLY N N 58 106.816 106.816 106.312 0.504 18728 1317 1 2 . 1 1 58 58 GLY C C 58 169.931 169.931 171.141 -1.210 18728 1318 1 2 . 1 1 58 58 GLY CA C 58 45.304 45.304 44.510 0.794 18728 1319 1 2 . 1 1 58 58 GLY H H 58 8.345 8.345 8.115 0.230 18728 1320 1 2 . 1 1 59 59 PHE N N 59 115.179 115.179 115.331 -0.152 18728 1321 1 2 . 1 1 59 59 PHE HA H 59 5.645 5.645 5.438 0.207 18728 1322 1 2 . 1 1 59 59 PHE C C 59 174.929 174.929 173.996 0.933 18728 1323 1 2 . 1 1 59 59 PHE CA C 59 56.541 56.541 56.434 0.107 18728 1324 1 2 . 1 1 59 59 PHE CB C 59 43.984 43.984 43.724 0.260 18728 1325 1 2 . 1 1 59 59 PHE H H 59 8.903 8.903 8.814 0.089 18728 1326 1 2 . 1 1 60 60 VAL N N 60 115.310 115.310 116.774 -1.464 18728 1327 1 2 . 1 1 60 60 VAL HA H 60 4.540 4.540 4.815 -0.275 18728 1328 1 2 . 1 1 60 60 VAL C C 60 173.246 173.246 175.011 -1.765 18728 1329 1 2 . 1 1 60 60 VAL CA C 60 59.421 59.421 60.373 -0.952 18728 1330 1 2 . 1 1 60 60 VAL CB C 60 34.678 34.678 33.433 1.245 18728 1331 1 2 . 1 1 60 60 VAL H H 60 8.569 8.569 8.926 -0.357 18728 1332 1 2 . 1 1 61 61 THR N N 61 120.158 120.158 123.875 -3.717 18728 1333 1 2 . 1 1 61 61 THR HA H 61 5.068 5.068 4.675 0.393 18728 1334 1 2 . 1 1 61 61 THR C C 61 173.985 173.985 173.798 0.187 18728 1335 1 2 . 1 1 61 61 THR CA C 61 61.033 61.033 61.923 -0.890 18728 1336 1 2 . 1 1 61 61 THR CB C 61 70.114 70.114 69.821 0.293 18728 1337 1 2 . 1 1 61 61 THR H H 61 8.180 8.180 8.863 -0.683 18728 1338 1 2 . 1 1 62 62 TYR N N 62 125.280 125.280 127.586 -2.306 18728 1339 1 2 . 1 1 62 62 TYR HA H 62 5.357 5.357 4.732 0.625 18728 1340 1 2 . 1 1 62 62 TYR C C 62 176.696 176.696 175.293 1.403 18728 1341 1 2 . 1 1 62 62 TYR CA C 62 58.297 58.297 59.132 -0.835 18728 1342 1 2 . 1 1 62 62 TYR CB C 62 42.217 42.217 39.944 2.273 18728 1343 1 2 . 1 1 62 62 TYR H H 62 8.407 8.407 8.827 -0.420 18728 1344 1 2 . 1 1 63 63 ALA N N 63 121.648 121.648 122.418 -0.770 18728 1345 1 2 . 1 1 63 63 ALA HA H 63 4.052 4.052 4.248 -0.196 18728 1346 1 2 . 1 1 63 63 ALA C C 63 178.252 178.252 177.254 0.998 18728 1347 1 2 . 1 1 63 63 ALA CA C 63 55.269 55.269 53.719 1.550 18728 1348 1 2 . 1 1 63 63 ALA CB C 63 19.068 19.068 19.775 -0.707 18728 1349 1 2 . 1 1 63 63 ALA H H 63 8.749 8.749 8.816 -0.067 18728 1350 1 2 . 1 1 64 64 THR N N 64 105.238 105.238 110.486 -5.248 18728 1351 1 2 . 1 1 64 64 THR HA H 64 4.902 4.902 4.630 0.272 18728 1352 1 2 . 1 1 64 64 THR C C 64 174.667 174.667 174.476 0.191 18728 1353 1 2 . 1 1 64 64 THR CA C 64 59.184 59.184 61.266 -2.082 18728 1354 1 2 . 1 1 64 64 THR CB C 64 73.193 73.193 72.403 0.790 18728 1355 1 2 . 1 1 64 64 THR H H 64 7.992 7.992 7.615 0.377 18728 1356 1 2 . 1 1 65 65 VAL N N 65 120.939 120.939 124.390 -3.451 18728 1357 1 2 . 1 1 65 65 VAL HA H 65 3.670 3.670 3.696 -0.026 18728 1358 1 2 . 1 1 65 65 VAL C C 65 177.446 177.446 176.808 0.638 18728 1359 1 2 . 1 1 65 65 VAL CA C 65 65.535 65.535 66.107 -0.572 18728 1360 1 2 . 1 1 65 65 VAL CB C 65 31.538 31.538 32.175 -0.637 18728 1361 1 2 . 1 1 65 65 VAL H H 65 8.968 8.968 8.934 0.034 18728 1362 1 2 . 1 1 66 66 GLU N N 66 120.818 120.818 118.421 2.397 18728 1363 1 2 . 1 1 66 66 GLU HA H 66 4.045 4.045 3.880 0.165 18728 1364 1 2 . 1 1 66 66 GLU C C 66 180.056 180.056 179.029 1.027 18728 1365 1 2 . 1 1 66 66 GLU CA C 66 60.430 60.430 59.718 0.712 18728 1366 1 2 . 1 1 66 66 GLU CB C 66 28.909 28.909 28.541 0.368 18728 1367 1 2 . 1 1 66 66 GLU H H 66 8.686 8.686 8.731 -0.045 18728 1368 1 2 . 1 1 67 67 GLU N N 67 120.729 120.729 118.794 1.935 18728 1369 1 2 . 1 1 67 67 GLU HA H 67 3.853 3.853 4.059 -0.206 18728 1370 1 2 . 1 1 67 67 GLU C C 67 177.040 177.040 178.749 -1.709 18728 1371 1 2 . 1 1 67 67 GLU CA C 67 59.391 59.391 58.913 0.478 18728 1372 1 2 . 1 1 67 67 GLU CB C 67 29.590 29.590 29.157 0.433 18728 1373 1 2 . 1 1 67 67 GLU H H 67 7.487 7.487 7.652 -0.165 18728 1374 1 2 . 1 1 68 68 VAL N N 68 118.408 118.408 119.834 -1.426 18728 1375 1 2 . 1 1 68 68 VAL HA H 68 3.165 3.165 3.068 0.097 18728 1376 1 2 . 1 1 68 68 VAL C C 68 178.293 178.293 177.561 0.732 18728 1377 1 2 . 1 1 68 68 VAL CA C 68 66.391 66.391 66.653 -0.263 18728 1378 1 2 . 1 1 68 68 VAL CB C 68 31.092 31.092 31.717 -0.625 18728 1379 1 2 . 1 1 68 68 VAL H H 68 6.882 6.882 7.023 -0.141 18728 1380 1 2 . 1 1 69 69 ASP N N 69 119.356 119.356 119.725 -0.369 18728 1381 1 2 . 1 1 69 69 ASP HA H 69 4.128 4.128 4.260 -0.132 18728 1382 1 2 . 1 1 69 69 ASP C C 69 178.765 178.765 178.165 0.600 18728 1383 1 2 . 1 1 69 69 ASP CA C 69 57.394 57.394 57.580 -0.186 18728 1384 1 2 . 1 1 69 69 ASP CB C 69 39.879 39.879 40.834 -0.955 18728 1385 1 2 . 1 1 69 69 ASP H H 69 8.109 8.109 8.028 0.081 18728 1386 1 2 . 1 1 70 70 ALA N N 70 123.031 123.031 121.189 1.842 18728 1387 1 2 . 1 1 70 70 ALA HA H 70 4.070 4.070 4.051 0.019 18728 1388 1 2 . 1 1 70 70 ALA C C 70 180.518 180.518 179.450 1.068 18728 1389 1 2 . 1 1 70 70 ALA CA C 70 55.209 55.209 55.021 0.188 18728 1390 1 2 . 1 1 70 70 ALA CB C 70 18.104 18.104 18.303 -0.199 18728 1391 1 2 . 1 1 70 70 ALA H H 70 7.736 7.736 7.960 -0.224 18728 1392 1 2 . 1 1 71 71 ALA N N 71 121.446 121.446 119.950 1.496 18728 1393 1 2 . 1 1 71 71 ALA HA H 71 3.034 3.034 3.771 -0.737 18728 1394 1 2 . 1 1 71 71 ALA C C 71 182.248 182.248 179.561 2.687 18728 1395 1 2 . 1 1 71 71 ALA CA C 71 55.251 55.251 54.562 0.689 18728 1396 1 2 . 1 1 71 71 ALA CB C 71 17.976 17.976 18.449 -0.473 18728 1397 1 2 . 1 1 71 71 ALA H H 71 8.101 8.101 7.472 0.629 18728 1398 1 2 . 1 1 72 72 MET N N 72 118.027 118.027 117.253 0.774 18728 1399 1 2 . 1 1 72 72 MET HA H 72 4.430 4.430 4.293 0.137 18728 1400 1 2 . 1 1 72 72 MET C C 72 179.409 179.409 178.707 0.702 18728 1401 1 2 . 1 1 72 72 MET CA C 72 56.379 56.379 57.083 -0.704 18728 1402 1 2 . 1 1 72 72 MET CB C 72 30.498 30.498 31.863 -1.365 18728 1403 1 2 . 1 1 72 72 MET H H 72 8.681 8.681 7.978 0.703 18728 1404 1 2 . 1 1 73 73 ASN N N 73 119.415 119.415 117.712 1.703 18728 1405 1 2 . 1 1 73 73 ASN HA H 73 4.627 4.627 4.587 0.040 18728 1406 1 2 . 1 1 73 73 ASN C C 73 175.014 175.014 176.278 -1.264 18728 1407 1 2 . 1 1 73 73 ASN CA C 73 54.323 54.323 55.079 -0.756 18728 1408 1 2 . 1 1 73 73 ASN CB C 73 38.468 38.468 37.796 0.672 18728 1409 1 2 . 1 1 73 73 ASN H H 73 8.096 8.096 8.373 -0.277 18728 1410 1 2 . 1 1 74 74 ALA N N 74 122.253 122.253 121.300 0.953 18728 1411 1 2 . 1 1 74 74 ALA HA H 74 4.299 4.299 4.264 0.035 18728 1412 1 2 . 1 1 74 74 ALA C C 74 175.305 175.305 176.991 -1.686 18728 1413 1 2 . 1 1 74 74 ALA CA C 74 51.273 51.273 51.322 -0.049 18728 1414 1 2 . 1 1 74 74 ALA CB C 74 18.922 18.922 18.871 0.051 18728 1415 1 2 . 1 1 74 74 ALA H H 74 6.966 6.966 7.298 -0.332 18728 1416 1 2 . 1 1 75 75 ARG N N 75 116.833 116.833 120.462 -3.629 18728 1417 1 2 . 1 1 75 75 ARG HA H 75 3.608 3.608 4.120 -0.512 18728 1418 1 2 . 1 1 75 75 ARG CA C 75 55.086 55.086 55.647 -0.561 18728 1419 1 2 . 1 1 75 75 ARG CB C 75 30.199 30.199 29.893 0.305 18728 1420 1 2 . 1 1 75 75 ARG H H 75 6.749 6.749 7.166 -0.417 18728 1421 1 2 . 1 1 76 76 PRO HA H 76 4.434 4.434 4.518 -0.084 18728 1422 1 2 . 1 1 76 76 PRO C C 76 175.590 175.590 175.654 -0.064 18728 1423 1 2 . 1 1 76 76 PRO CA C 76 61.614 61.614 62.558 -0.944 18728 1424 1 2 . 1 1 76 76 PRO CB C 76 34.982 34.982 32.618 2.364 18728 1425 1 2 . 1 1 77 77 HIS N N 77 122.039 122.039 118.435 3.604 18728 1426 1 2 . 1 1 77 77 HIS HA H 77 4.559 4.559 4.910 -0.351 18728 1427 1 2 . 1 1 77 77 HIS C C 77 173.137 173.137 174.268 -1.131 18728 1428 1 2 . 1 1 77 77 HIS CA C 77 56.231 56.231 55.578 0.653 18728 1429 1 2 . 1 1 77 77 HIS CB C 77 32.909 32.909 34.151 -1.242 18728 1430 1 2 . 1 1 77 77 HIS H H 77 9.384 9.384 8.366 1.018 18728 1431 1 2 . 1 1 78 78 LYS N N 78 125.607 125.607 123.316 2.291 18728 1432 1 2 . 1 1 78 78 LYS HA H 78 4.939 4.939 5.137 -0.198 18728 1433 1 2 . 1 1 78 78 LYS C C 78 174.858 174.858 174.750 0.108 18728 1434 1 2 . 1 1 78 78 LYS CA C 78 54.755 54.755 55.400 -0.645 18728 1435 1 2 . 1 1 78 78 LYS CB C 78 33.475 33.475 34.457 -0.982 18728 1436 1 2 . 1 1 78 78 LYS H H 78 8.485 8.485 8.625 -0.140 18728 1437 1 2 . 1 1 79 79 VAL N N 79 124.596 124.596 125.262 -0.666 18728 1438 1 2 . 1 1 79 79 VAL HA H 79 3.955 3.955 4.053 -0.098 18728 1439 1 2 . 1 1 79 79 VAL C C 79 176.295 176.295 175.939 0.356 18728 1440 1 2 . 1 1 79 79 VAL CA C 79 60.737 60.737 60.786 -0.049 18728 1441 1 2 . 1 1 79 79 VAL CB C 79 33.249 33.249 32.656 0.593 18728 1442 1 2 . 1 1 79 79 VAL H H 79 8.581 8.581 8.300 0.281 18728 1443 1 2 . 1 1 80 80 ASP N N 80 128.668 128.668 127.576 1.092 18728 1444 1 2 . 1 1 80 80 ASP HA H 80 4.228 4.228 4.336 -0.108 18728 1445 1 2 . 1 1 80 80 ASP C C 80 175.744 175.744 176.386 -0.642 18728 1446 1 2 . 1 1 80 80 ASP CA C 80 55.882 55.882 54.831 1.051 18728 1447 1 2 . 1 1 80 80 ASP CB C 80 39.692 39.692 40.500 -0.808 18728 1448 1 2 . 1 1 80 80 ASP H H 80 9.553 9.553 9.233 0.320 18728 1449 1 2 . 1 1 81 81 GLY N N 81 101.527 101.527 103.920 -2.393 18728 1450 1 2 . 1 1 81 81 GLY C C 81 173.560 173.560 173.699 -0.139 18728 1451 1 2 . 1 1 81 81 GLY CA C 81 45.445 45.445 45.459 -0.014 18728 1452 1 2 . 1 1 81 81 GLY H H 81 8.488 8.488 8.565 -0.077 18728 1453 1 2 . 1 1 82 82 ARG N N 82 120.493 120.493 119.993 0.500 18728 1454 1 2 . 1 1 82 82 ARG HA H 82 4.640 4.640 4.640 0.000 18728 1455 1 2 . 1 1 82 82 ARG C C 82 174.512 174.512 174.846 -0.334 18728 1456 1 2 . 1 1 82 82 ARG CA C 82 53.161 53.161 54.070 -0.909 18728 1457 1 2 . 1 1 82 82 ARG CB C 82 32.507 32.507 33.149 -0.642 18728 1458 1 2 . 1 1 82 82 ARG H H 82 7.555 7.555 7.489 0.066 18728 1459 1 2 . 1 1 83 83 VAL N N 83 124.855 124.855 127.310 -2.455 18728 1460 1 2 . 1 1 83 83 VAL HA H 83 4.501 4.501 4.319 0.182 18728 1461 1 2 . 1 1 83 83 VAL C C 83 176.701 176.701 175.223 1.478 18728 1462 1 2 . 1 1 83 83 VAL CA C 83 63.290 63.290 62.979 0.311 18728 1463 1 2 . 1 1 83 83 VAL CB C 83 30.867 30.867 31.621 -0.754 18728 1464 1 2 . 1 1 83 83 VAL H H 83 8.633 8.633 8.608 0.025 18728 1465 1 2 . 1 1 84 84 VAL N N 84 122.944 122.944 124.861 -1.917 18728 1466 1 2 . 1 1 84 84 VAL HA H 84 4.667 4.667 4.909 -0.242 18728 1467 1 2 . 1 1 84 84 VAL C C 84 174.969 174.969 174.096 0.873 18728 1468 1 2 . 1 1 84 84 VAL CA C 84 59.499 59.499 59.138 0.361 18728 1469 1 2 . 1 1 84 84 VAL CB C 84 32.761 32.761 35.018 -2.257 18728 1470 1 2 . 1 1 84 84 VAL H H 84 8.391 8.391 8.319 0.072 18728 1471 1 2 . 1 1 85 85 GLU N N 85 120.907 120.907 123.555 -2.648 18728 1472 1 2 . 1 1 85 85 GLU HA H 85 5.087 5.087 4.974 0.113 18728 1473 1 2 . 1 1 85 85 GLU CA C 85 52.949 52.949 52.467 0.482 18728 1474 1 2 . 1 1 85 85 GLU CB C 85 31.367 31.367 32.463 -1.096 18728 1475 1 2 . 1 1 85 85 GLU H H 85 8.681 8.681 9.009 -0.328 18728 1476 1 2 . 1 1 86 86 PRO HA H 86 5.383 5.383 5.015 0.368 18728 1477 1 2 . 1 1 86 86 PRO C C 86 175.908 175.908 175.960 -0.052 18728 1478 1 2 . 1 1 86 86 PRO CA C 86 61.444 61.444 62.717 -1.273 18728 1479 1 2 . 1 1 86 86 PRO CB C 86 32.657 32.657 32.541 0.116 18728 1480 1 2 . 1 1 87 87 LYS N N 87 121.252 121.252 120.909 0.343 18728 1481 1 2 . 1 1 87 87 LYS HA H 87 4.688 4.688 5.068 -0.380 18728 1482 1 2 . 1 1 87 87 LYS C C 87 175.676 175.676 176.016 -0.340 18728 1483 1 2 . 1 1 87 87 LYS CA C 87 55.101 55.101 53.709 1.393 18728 1484 1 2 . 1 1 87 87 LYS CB C 87 36.608 36.608 36.868 -0.260 18728 1485 1 2 . 1 1 87 87 LYS H H 87 9.397 9.397 8.884 0.513 18728 1486 1 2 . 1 1 88 88 ARG N N 88 123.272 123.272 121.522 1.750 18728 1487 1 2 . 1 1 88 88 ARG HA H 88 4.375 4.375 4.344 0.031 18728 1488 1 2 . 1 1 88 88 ARG C C 88 177.011 177.011 176.832 0.179 18728 1489 1 2 . 1 1 88 88 ARG CA C 88 57.209 57.209 56.354 0.855 18728 1490 1 2 . 1 1 88 88 ARG CB C 88 30.452 30.452 30.625 -0.173 18728 1491 1 2 . 1 1 88 88 ARG H H 88 8.940 8.940 8.941 -0.001 18728 1492 1 2 . 1 1 89 89 ALA N N 89 126.260 126.260 130.537 -4.277 18728 1493 1 2 . 1 1 89 89 ALA HA H 89 4.259 4.259 4.470 -0.211 18728 1494 1 2 . 1 1 89 89 ALA C C 89 177.452 177.452 176.535 0.917 18728 1495 1 2 . 1 1 89 89 ALA CA C 89 53.712 53.712 52.071 1.641 18728 1496 1 2 . 1 1 89 89 ALA CB C 89 18.824 18.824 18.420 0.404 18728 1497 1 2 . 1 1 89 89 ALA H H 89 8.424 8.424 8.261 0.163 18728 1498 1 2 . 1 1 90 90 VAL N N 90 115.835 115.835 123.644 -7.809 18728 1499 1 2 . 1 1 90 90 VAL HA H 90 4.182 4.182 4.004 0.178 18728 1500 1 2 . 1 1 90 90 VAL C C 90 175.397 175.397 176.449 -1.052 18728 1501 1 2 . 1 1 90 90 VAL CA C 90 61.516 61.516 62.921 -1.405 18728 1502 1 2 . 1 1 90 90 VAL CB C 90 33.448 33.448 32.797 0.651 18728 1503 1 2 . 1 1 90 90 VAL H H 90 7.892 7.892 7.884 0.008 18728 1504 1 2 . 1 1 91 91 SER N N 91 119.224 119.224 119.684 -0.460 18728 1505 1 2 . 1 1 91 91 SER HA H 91 4.420 4.420 4.388 0.032 18728 1506 1 2 . 1 1 91 91 SER CA C 91 57.888 57.888 59.000 -1.112 18728 1507 1 2 . 1 1 91 91 SER CB C 91 63.788 63.788 64.400 -0.612 18728 1508 1 2 . 1 1 91 91 SER H H 91 8.327 8.327 8.615 -0.288 18728 1509 1 2 . 1 1 92 92 ARG HA H 92 4.231 4.231 4.157 0.074 18728 1510 1 2 . 1 1 92 92 ARG C C 92 176.651 176.651 178.387 -1.736 18728 1511 1 2 . 1 1 92 92 ARG CA C 92 56.671 56.671 58.354 -1.683 18728 1512 1 2 . 1 1 92 92 ARG CB C 92 30.776 30.776 30.096 0.680 18728 1513 1 2 . 1 1 92 92 ARG H H 92 8.425 8.425 8.824 -0.399 18728 1514 1 2 . 1 1 93 93 GLU N N 93 121.483 121.483 118.351 3.132 18728 1515 1 2 . 1 1 93 93 GLU HA H 93 4.181 4.181 4.064 0.117 18728 1516 1 2 . 1 1 93 93 GLU C C 93 176.605 176.605 178.234 -1.629 18728 1517 1 2 . 1 1 93 93 GLU CA C 93 57.185 57.185 59.273 -2.088 18728 1518 1 2 . 1 1 93 93 GLU CB C 93 30.015 30.015 29.259 0.756 18728 1519 1 2 . 1 1 93 93 GLU H H 93 8.503 8.503 8.188 0.315 18728 1520 1 2 . 1 1 94 94 ASP N N 94 121.305 121.305 118.203 3.102 18728 1521 1 2 . 1 1 94 94 ASP HA H 94 4.540 4.540 4.458 0.082 18728 1522 1 2 . 1 1 94 94 ASP C C 94 176.744 176.744 178.571 -1.827 18728 1523 1 2 . 1 1 94 94 ASP CA C 94 54.678 54.678 56.780 -2.102 18728 1524 1 2 . 1 1 94 94 ASP CB C 94 41.183 41.183 40.647 0.536 18728 1525 1 2 . 1 1 94 94 ASP H H 94 8.229 8.229 7.800 0.429 18728 1526 1 2 . 1 1 95 95 SER N N 95 115.787 115.787 114.003 1.784 18728 1527 1 2 . 1 1 95 95 SER HA H 95 4.286 4.286 4.000 0.286 18728 1528 1 2 . 1 1 95 95 SER C C 95 174.602 174.602 175.592 -0.990 18728 1529 1 2 . 1 1 95 95 SER CA C 95 58.957 58.957 60.051 -1.094 18728 1530 1 2 . 1 1 95 95 SER CB C 95 64.524 64.524 62.825 1.699 18728 1531 1 2 . 1 1 95 95 SER H H 95 8.109 8.109 7.829 0.280 18728 1532 1 2 . 1 1 96 96 GLN N N 96 120.796 120.796 119.712 1.084 18728 1533 1 2 . 1 1 96 96 GLN HA H 96 4.297 4.297 4.210 0.087 18728 1534 1 2 . 1 1 96 96 GLN C C 96 175.742 175.742 176.405 -0.663 18728 1535 1 2 . 1 1 96 96 GLN CA C 96 55.721 55.721 56.737 -1.016 18728 1536 1 2 . 1 1 96 96 GLN CB C 96 29.313 29.313 29.152 0.161 18728 1537 1 2 . 1 1 96 96 GLN H H 96 8.161 8.161 7.417 0.744 18728 1538 1 2 . 1 1 97 97 ARG N N 97 122.462 122.462 120.607 1.855 18728 1539 1 2 . 1 1 97 97 ARG HA H 97 4.552 4.552 4.488 0.064 18728 1540 1 2 . 1 1 97 97 ARG CA C 97 54.096 54.096 53.623 0.473 18728 1541 1 2 . 1 1 97 97 ARG CB C 97 30.115 30.115 29.722 0.393 18728 1542 1 2 . 1 1 97 97 ARG H H 97 8.029 8.029 7.606 0.423 18728 1543 1 2 . 1 1 98 98 PRO HA H 98 4.362 4.362 4.381 -0.019 18728 1544 1 2 . 1 1 98 98 PRO C C 98 177.715 177.715 177.150 0.565 18728 1545 1 2 . 1 1 98 98 PRO CA C 98 63.592 63.592 63.360 0.232 18728 1546 1 2 . 1 1 98 98 PRO CB C 98 31.955 31.955 32.000 -0.045 18728 1547 1 2 . 1 1 99 99 GLY N N 99 109.572 109.572 112.260 -2.688 18728 1548 1 2 . 1 1 99 99 GLY C C 99 174.356 174.356 175.086 -0.730 18728 1549 1 2 . 1 1 99 99 GLY CA C 99 45.395 45.395 45.235 0.160 18728 1550 1 2 . 1 1 99 99 GLY H H 99 8.516 8.516 8.563 -0.047 18728 1551 1 2 . 1 1 100 100 ALA N N 100 123.418 123.418 122.386 1.032 18728 1552 1 2 . 1 1 100 100 ALA HA H 100 4.141 4.141 3.966 0.175 18728 1553 1 2 . 1 1 100 100 ALA CA C 100 53.160 53.160 53.697 -0.537 18728 1554 1 2 . 1 1 100 100 ALA CB C 100 19.185 19.185 19.054 0.131 18728 1555 1 2 . 1 1 100 100 ALA H H 100 8.015 8.015 7.549 0.466 18728 1556 1 2 . 1 1 101 101 HIS HA H 101 4.502 4.502 4.526 -0.024 18728 1557 1 2 . 1 1 101 101 HIS C C 101 175.102 175.102 174.171 0.931 18728 1558 1 2 . 1 1 101 101 HIS CA C 101 56.309 56.309 54.170 2.139 18728 1559 1 2 . 1 1 101 101 HIS CB C 101 30.450 30.450 28.646 1.804 18728 1560 1 2 . 1 1 102 102 LEU N N 102 122.495 122.495 119.130 3.365 18728 1561 1 2 . 1 1 102 102 LEU HA H 102 4.263 4.263 4.529 -0.266 18728 1562 1 2 . 1 1 102 102 LEU C C 102 177.020 177.020 176.795 0.225 18728 1563 1 2 . 1 1 102 102 LEU CA C 102 54.934 54.934 53.517 1.417 18728 1564 1 2 . 1 1 102 102 LEU CB C 102 42.414 42.414 43.883 -1.469 18728 1565 1 2 . 1 1 102 102 LEU H H 102 7.774 7.774 6.989 0.785 18728 1566 1 2 . 1 1 103 103 THR N N 103 115.720 115.720 117.255 -1.535 18728 1567 1 2 . 1 1 103 103 THR HA H 103 4.220 4.220 4.070 0.150 18728 1568 1 2 . 1 1 103 103 THR C C 103 174.185 174.185 173.948 0.237 18728 1569 1 2 . 1 1 103 103 THR CA C 103 60.917 60.917 62.657 -1.740 18728 1570 1 2 . 1 1 103 103 THR CB C 103 69.340 69.340 68.495 0.845 18728 1571 1 2 . 1 1 103 103 THR H H 103 8.001 8.001 8.344 -0.343 18728 1572 1 2 . 1 1 104 104 VAL N N 104 122.004 122.004 126.898 -4.894 18728 1573 1 2 . 1 1 104 104 VAL HA H 104 4.330 4.330 4.365 -0.035 18728 1574 1 2 . 1 1 104 104 VAL C C 104 175.294 175.294 175.299 -0.005 18728 1575 1 2 . 1 1 104 104 VAL CA C 104 61.877 61.877 61.755 0.122 18728 1576 1 2 . 1 1 104 104 VAL CB C 104 34.220 34.220 33.188 1.032 18728 1577 1 2 . 1 1 104 104 VAL H H 104 8.191 8.191 8.004 0.187 18728 1578 1 2 . 1 1 105 105 LYS N N 105 121.406 121.406 125.796 -4.390 18728 1579 1 2 . 1 1 105 105 LYS HA H 105 4.498 4.498 4.653 -0.155 18728 1580 1 2 . 1 1 105 105 LYS C C 105 173.482 173.482 175.231 -1.749 18728 1581 1 2 . 1 1 105 105 LYS CA C 105 56.433 56.433 55.306 1.127 18728 1582 1 2 . 1 1 105 105 LYS CB C 105 33.245 33.245 32.993 0.252 18728 1583 1 2 . 1 1 105 105 LYS H H 105 8.672 8.672 8.917 -0.245 18728 1584 1 2 . 1 1 106 106 LYS N N 106 121.756 121.756 119.092 2.664 18728 1585 1 2 . 1 1 106 106 LYS HA H 106 5.623 5.623 5.447 0.176 18728 1586 1 2 . 1 1 106 106 LYS C C 106 175.153 175.153 175.286 -0.133 18728 1587 1 2 . 1 1 106 106 LYS CA C 106 54.537 54.537 54.768 -0.231 18728 1588 1 2 . 1 1 106 106 LYS CB C 106 37.407 37.407 36.819 0.588 18728 1589 1 2 . 1 1 106 106 LYS H H 106 7.134 7.134 7.631 -0.497 18728 1590 1 2 . 1 1 107 107 ILE N N 107 115.982 115.982 117.615 -1.633 18728 1591 1 2 . 1 1 107 107 ILE HA H 107 5.110 5.110 5.220 -0.110 18728 1592 1 2 . 1 1 107 107 ILE C C 107 174.525 174.525 174.093 0.432 18728 1593 1 2 . 1 1 107 107 ILE CA C 107 59.009 59.009 59.028 -0.019 18728 1594 1 2 . 1 1 107 107 ILE CB C 107 40.552 40.552 41.566 -1.014 18728 1595 1 2 . 1 1 107 107 ILE H H 107 8.948 8.948 8.642 0.306 18728 1596 1 2 . 1 1 108 108 PHE N N 108 124.182 124.182 123.828 0.354 18728 1597 1 2 . 1 1 108 108 PHE HA H 108 4.696 4.696 4.714 -0.018 18728 1598 1 2 . 1 1 108 108 PHE C C 108 173.422 173.422 173.425 -0.003 18728 1599 1 2 . 1 1 108 108 PHE CA C 108 56.567 56.567 55.917 0.650 18728 1600 1 2 . 1 1 108 108 PHE CB C 108 41.596 41.596 41.952 -0.356 18728 1601 1 2 . 1 1 108 108 PHE H H 108 9.103 9.103 8.897 0.206 18728 1602 1 2 . 1 1 109 109 VAL N N 109 126.956 126.956 125.432 1.524 18728 1603 1 2 . 1 1 109 109 VAL HA H 109 4.497 4.497 4.706 -0.209 18728 1604 1 2 . 1 1 109 109 VAL C C 109 174.097 174.097 173.871 0.226 18728 1605 1 2 . 1 1 109 109 VAL CA C 109 60.493 60.493 60.317 0.176 18728 1606 1 2 . 1 1 109 109 VAL CB C 109 33.266 33.266 33.575 -0.309 18728 1607 1 2 . 1 1 109 109 VAL H H 109 8.338 8.338 8.201 0.137 18728 1608 1 2 . 1 1 110 110 GLY N N 110 113.617 113.617 112.833 0.784 18728 1609 1 2 . 1 1 110 110 GLY C C 110 174.325 174.325 173.070 1.255 18728 1610 1 2 . 1 1 110 110 GLY CA C 110 44.011 44.011 43.605 0.406 18728 1611 1 2 . 1 1 110 110 GLY H H 110 9.173 9.173 8.570 0.603 18728 1612 1 2 . 1 1 111 111 GLY N N 111 106.411 106.411 108.025 -1.614 18728 1613 1 2 . 1 1 111 111 GLY CA C 111 46.359 46.359 45.064 1.295 18728 1614 1 2 . 1 1 111 111 GLY H H 111 8.221 8.221 8.118 0.103 18728 1615 1 2 . 1 1 116 116 THR HA H 116 4.322 4.322 4.901 -0.579 18728 1616 1 2 . 1 1 116 116 THR C C 116 173.380 173.380 174.219 -0.839 18728 1617 1 2 . 1 1 116 116 THR CA C 116 63.000 63.000 61.956 1.044 18728 1618 1 2 . 1 1 117 117 GLU N N 117 130.298 130.298 125.007 5.291 18728 1619 1 2 . 1 1 117 117 GLU HA H 117 4.632 4.632 4.518 0.114 18728 1620 1 2 . 1 1 117 117 GLU C C 117 177.632 177.632 176.925 0.707 18728 1621 1 2 . 1 1 117 117 GLU CA C 117 53.853 53.853 54.882 -1.029 18728 1622 1 2 . 1 1 117 117 GLU CB C 117 32.977 32.977 31.700 1.277 18728 1623 1 2 . 1 1 117 117 GLU H H 117 11.190 11.190 8.814 2.376 18728 1624 1 2 . 1 1 118 118 GLU N N 118 122.126 122.126 122.203 -0.077 18728 1625 1 2 . 1 1 118 118 GLU HA H 118 3.627 3.627 3.974 -0.347 18728 1626 1 2 . 1 1 118 118 GLU C C 118 179.294 179.294 178.312 0.982 18728 1627 1 2 . 1 1 118 118 GLU CA C 118 61.689 61.689 60.357 1.332 18728 1628 1 2 . 1 1 118 118 GLU CB C 118 29.075 29.075 29.477 -0.402 18728 1629 1 2 . 1 1 118 118 GLU H H 118 9.339 9.339 8.898 0.441 18728 1630 1 2 . 1 1 119 119 HIS N N 119 113.514 113.514 115.432 -1.918 18728 1631 1 2 . 1 1 119 119 HIS HA H 119 4.265 4.265 4.354 -0.089 18728 1632 1 2 . 1 1 119 119 HIS C C 119 176.566 176.566 178.131 -1.565 18728 1633 1 2 . 1 1 119 119 HIS CA C 119 58.917 58.917 59.715 -0.798 18728 1634 1 2 . 1 1 119 119 HIS CB C 119 28.187 28.187 29.044 -0.857 18728 1635 1 2 . 1 1 119 119 HIS H H 119 8.240 8.240 8.617 -0.377 18728 1636 1 2 . 1 1 120 120 HIS N N 120 118.629 118.629 118.162 0.467 18728 1637 1 2 . 1 1 120 120 HIS HA H 120 4.332 4.332 4.309 0.023 18728 1638 1 2 . 1 1 120 120 HIS C C 120 179.713 179.713 177.266 2.447 18728 1639 1 2 . 1 1 120 120 HIS CA C 120 60.310 60.310 59.132 1.178 18728 1640 1 2 . 1 1 120 120 HIS CB C 120 32.233 32.233 30.144 2.089 18728 1641 1 2 . 1 1 120 120 HIS H H 120 6.474 6.474 7.346 -0.872 18728 1642 1 2 . 1 1 121 121 LEU N N 121 117.249 117.249 115.839 1.410 18728 1643 1 2 . 1 1 121 121 LEU HA H 121 4.179 4.179 4.471 -0.292 18728 1644 1 2 . 1 1 121 121 LEU C C 121 178.020 178.020 178.429 -0.409 18728 1645 1 2 . 1 1 121 121 LEU CA C 121 57.924 57.924 57.669 0.255 18728 1646 1 2 . 1 1 121 121 LEU CB C 121 42.577 42.577 41.093 1.484 18728 1647 1 2 . 1 1 121 121 LEU H H 121 7.132 7.132 7.707 -0.575 18728 1648 1 2 . 1 1 122 122 ARG N N 122 121.766 121.766 121.452 0.314 18728 1649 1 2 . 1 1 122 122 ARG HA H 122 3.741 3.741 4.043 -0.302 18728 1650 1 2 . 1 1 122 122 ARG C C 122 177.023 177.023 177.969 -0.946 18728 1651 1 2 . 1 1 122 122 ARG CA C 122 60.508 60.508 60.004 0.504 18728 1652 1 2 . 1 1 122 122 ARG CB C 122 30.256 30.256 29.784 0.472 18728 1653 1 2 . 1 1 122 122 ARG H H 122 8.759 8.759 8.896 -0.137 18728 1654 1 2 . 1 1 123 123 ASP N N 123 116.299 116.299 117.716 -1.417 18728 1655 1 2 . 1 1 123 123 ASP HA H 123 4.294 4.294 4.469 -0.175 18728 1656 1 2 . 1 1 123 123 ASP C C 123 178.057 178.057 177.789 0.268 18728 1657 1 2 . 1 1 123 123 ASP CA C 123 57.076 57.076 56.998 0.078 18728 1658 1 2 . 1 1 123 123 ASP CB C 123 40.572 40.572 40.752 -0.180 18728 1659 1 2 . 1 1 123 123 ASP H H 123 8.423 8.423 7.908 0.515 18728 1660 1 2 . 1 1 124 124 TYR N N 124 115.172 115.172 119.411 -4.239 18728 1661 1 2 . 1 1 124 124 TYR HA H 124 4.338 4.338 4.305 0.033 18728 1662 1 2 . 1 1 124 124 TYR C C 124 177.688 177.688 177.779 -0.091 18728 1663 1 2 . 1 1 124 124 TYR CA C 124 61.660 61.660 61.177 0.483 18728 1664 1 2 . 1 1 124 124 TYR CB C 124 39.847 39.847 39.115 0.731 18728 1665 1 2 . 1 1 124 124 TYR H H 124 7.212 7.212 7.480 -0.268 18728 1666 1 2 . 1 1 125 125 PHE N N 125 113.932 113.932 118.289 -4.357 18728 1667 1 2 . 1 1 125 125 PHE HA H 125 4.515 4.515 4.418 0.097 18728 1668 1 2 . 1 1 125 125 PHE C C 125 178.209 178.209 178.332 -0.123 18728 1669 1 2 . 1 1 125 125 PHE CA C 125 63.404 63.404 61.428 1.976 18728 1670 1 2 . 1 1 125 125 PHE CB C 125 38.614 38.614 38.622 -0.008 18728 1671 1 2 . 1 1 125 125 PHE H H 125 8.802 8.802 8.993 -0.191 18728 1672 1 2 . 1 1 126 126 GLU N N 126 120.515 120.515 119.077 1.438 18728 1673 1 2 . 1 1 126 126 GLU HA H 126 4.884 4.884 4.464 0.420 18728 1674 1 2 . 1 1 126 126 GLU C C 126 177.936 177.936 177.338 0.598 18728 1675 1 2 . 1 1 126 126 GLU CA C 126 58.560 58.560 58.078 0.482 18728 1676 1 2 . 1 1 126 126 GLU CB C 126 28.516 28.516 29.253 -0.737 18728 1677 1 2 . 1 1 126 126 GLU H H 126 8.869 8.869 8.318 0.551 18728 1678 1 2 . 1 1 127 127 GLN N N 127 115.855 115.855 115.858 -0.003 18728 1679 1 2 . 1 1 127 127 GLN HA H 127 4.055 4.055 4.018 0.037 18728 1680 1 2 . 1 1 127 127 GLN C C 127 176.656 176.656 177.479 -0.823 18728 1681 1 2 . 1 1 127 127 GLN CA C 127 57.566 57.566 57.562 0.004 18728 1682 1 2 . 1 1 127 127 GLN CB C 127 29.047 29.047 28.821 0.226 18728 1683 1 2 . 1 1 127 127 GLN H H 127 7.105 7.105 7.625 -0.520 18728 1684 1 2 . 1 1 128 128 TYR N N 128 116.626 116.626 116.682 -0.056 18728 1685 1 2 . 1 1 128 128 TYR HA H 128 4.328 4.328 4.455 -0.127 18728 1686 1 2 . 1 1 128 128 TYR C C 128 175.596 175.596 175.348 0.248 18728 1687 1 2 . 1 1 128 128 TYR CA C 128 59.492 59.492 59.486 0.006 18728 1688 1 2 . 1 1 128 128 TYR CB C 128 39.539 39.539 40.249 -0.710 18728 1689 1 2 . 1 1 128 128 TYR H H 128 7.950 7.950 8.031 -0.081 18728 1690 1 2 . 1 1 129 129 GLY N N 129 107.386 107.386 102.937 4.449 18728 1691 1 2 . 1 1 129 129 GLY C C 129 170.407 170.407 171.996 -1.589 18728 1692 1 2 . 1 1 129 129 GLY CA C 129 44.819 44.819 45.335 -0.516 18728 1693 1 2 . 1 1 129 129 GLY H H 129 7.492 7.492 7.657 -0.165 18728 1694 1 2 . 1 1 130 130 LYS N N 130 117.786 117.786 121.226 -3.440 18728 1695 1 2 . 1 1 130 130 LYS HA H 130 4.315 4.315 4.418 -0.103 18728 1696 1 2 . 1 1 130 130 LYS C C 130 177.097 177.097 175.340 1.757 18728 1697 1 2 . 1 1 130 130 LYS CA C 130 56.938 56.938 56.344 0.594 18728 1698 1 2 . 1 1 130 130 LYS CB C 130 33.199 33.199 33.294 -0.094 18728 1699 1 2 . 1 1 130 130 LYS H H 130 8.135 8.135 8.605 -0.470 18728 1700 1 2 . 1 1 131 131 ILE N N 131 127.829 127.829 126.531 1.298 18728 1701 1 2 . 1 1 131 131 ILE HA H 131 3.681 3.681 3.879 -0.198 18728 1702 1 2 . 1 1 131 131 ILE C C 131 175.841 175.841 176.034 -0.193 18728 1703 1 2 . 1 1 131 131 ILE CA C 131 61.625 61.625 60.499 1.126 18728 1704 1 2 . 1 1 131 131 ILE CB C 131 40.441 40.441 39.527 0.914 18728 1705 1 2 . 1 1 131 131 ILE H H 131 8.917 8.917 8.520 0.397 18728 1706 1 2 . 1 1 132 132 GLU N N 132 128.437 128.437 127.556 0.881 18728 1707 1 2 . 1 1 132 132 GLU HA H 132 4.320 4.320 4.336 -0.016 18728 1708 1 2 . 1 1 132 132 GLU C C 132 176.192 176.192 175.884 0.308 18728 1709 1 2 . 1 1 132 132 GLU CA C 132 57.816 57.816 58.231 -0.415 18728 1710 1 2 . 1 1 132 132 GLU CB C 132 31.670 31.670 31.176 0.494 18728 1711 1 2 . 1 1 132 132 GLU H H 132 9.136 9.136 8.745 0.391 18728 1712 1 2 . 1 1 133 133 VAL N N 133 115.096 115.096 116.629 -1.533 18728 1713 1 2 . 1 1 133 133 VAL HA H 133 4.316 4.316 4.249 0.067 18728 1714 1 2 . 1 1 133 133 VAL C C 133 172.860 172.860 173.493 -0.633 18728 1715 1 2 . 1 1 133 133 VAL CA C 133 61.258 61.258 60.889 0.369 18728 1716 1 2 . 1 1 133 133 VAL CB C 133 35.526 35.526 34.632 0.894 18728 1717 1 2 . 1 1 133 133 VAL H H 133 7.272 7.272 7.392 -0.120 18728 1718 1 2 . 1 1 134 134 ILE N N 134 126.870 126.870 124.184 2.686 18728 1719 1 2 . 1 1 134 134 ILE HA H 134 4.464 4.464 4.382 0.082 18728 1720 1 2 . 1 1 134 134 ILE C C 134 174.004 174.004 174.856 -0.852 18728 1721 1 2 . 1 1 134 134 ILE CA C 134 60.904 60.904 60.534 0.370 18728 1722 1 2 . 1 1 134 134 ILE CB C 134 40.408 40.408 39.747 0.661 18728 1723 1 2 . 1 1 134 134 ILE H H 134 8.566 8.566 8.368 0.198 18728 1724 1 2 . 1 1 135 135 GLU N N 135 128.037 128.037 128.566 -0.529 18728 1725 1 2 . 1 1 135 135 GLU HA H 135 4.642 4.642 4.655 -0.013 18728 1726 1 2 . 1 1 135 135 GLU C C 135 174.883 174.883 175.153 -0.270 18728 1727 1 2 . 1 1 135 135 GLU CA C 135 54.640 54.640 55.161 -0.521 18728 1728 1 2 . 1 1 135 135 GLU CB C 135 33.259 33.259 30.807 2.452 18728 1729 1 2 . 1 1 135 135 GLU H H 135 9.019 9.019 8.879 0.140 18728 1730 1 2 . 1 1 136 136 ILE N N 136 126.668 126.668 126.224 0.444 18728 1731 1 2 . 1 1 136 136 ILE HA H 136 3.898 3.898 4.260 -0.362 18728 1732 1 2 . 1 1 136 136 ILE C C 136 176.157 176.157 174.886 1.271 18728 1733 1 2 . 1 1 136 136 ILE CA C 136 61.336 61.336 59.715 1.621 18728 1734 1 2 . 1 1 136 136 ILE CB C 136 37.397 37.397 37.536 -0.139 18728 1735 1 2 . 1 1 136 136 ILE H H 136 8.967 8.967 8.713 0.254 18728 1736 1 2 . 1 1 137 137 MET N N 137 126.115 126.115 128.109 -1.994 18728 1737 1 2 . 1 1 137 137 MET HA H 137 4.679 4.679 4.624 0.055 18728 1738 1 2 . 1 1 137 137 MET C C 137 176.723 176.723 175.626 1.097 18728 1739 1 2 . 1 1 137 137 MET CA C 137 55.163 55.163 53.509 1.654 18728 1740 1 2 . 1 1 137 137 MET CB C 137 30.841 30.841 31.791 -0.950 18728 1741 1 2 . 1 1 137 137 MET H H 137 7.656 7.656 7.920 -0.264 18728 1742 1 2 . 1 1 138 138 THR N N 138 116.735 116.735 116.966 -0.231 18728 1743 1 2 . 1 1 138 138 THR HA H 138 4.746 4.746 4.413 0.333 18728 1744 1 2 . 1 1 138 138 THR C C 138 173.642 173.642 173.936 -0.294 18728 1745 1 2 . 1 1 138 138 THR CA C 138 60.385 60.385 61.741 -1.356 18728 1746 1 2 . 1 1 138 138 THR CB C 138 72.028 72.028 69.873 2.155 18728 1747 1 2 . 1 1 138 138 THR H H 138 8.551 8.551 8.234 0.317 18728 1748 1 2 . 1 1 139 139 ASP N N 139 123.899 123.899 123.596 0.303 18728 1749 1 2 . 1 1 139 139 ASP HA H 139 4.677 4.677 4.856 -0.179 18728 1750 1 2 . 1 1 139 139 ASP CA C 139 53.728 53.728 52.981 0.747 18728 1751 1 2 . 1 1 139 139 ASP CB C 139 42.270 42.270 42.830 -0.560 18728 1752 1 2 . 1 1 139 139 ASP H H 139 8.818 8.818 8.569 0.249 18728 1753 1 2 . 1 1 140 140 ARG HA H 140 4.037 4.037 4.163 -0.126 18728 1754 1 2 . 1 1 140 140 ARG C C 140 177.886 177.886 177.148 0.738 18728 1755 1 2 . 1 1 140 140 ARG CB C 140 29.886 29.886 30.250 -0.364 18728 1756 1 2 . 1 1 141 141 GLY N N 141 107.951 107.951 106.381 1.570 18728 1757 1 2 . 1 1 141 141 GLY C C 141 174.861 174.861 175.800 -0.939 18728 1758 1 2 . 1 1 141 141 GLY CA C 141 46.490 46.490 45.697 0.793 18728 1759 1 2 . 1 1 141 141 GLY H H 141 8.635 8.635 7.883 0.752 18728 1760 1 2 . 1 1 142 142 SER N N 142 114.044 114.044 116.394 -2.350 18728 1761 1 2 . 1 1 142 142 SER HA H 142 4.533 4.533 4.364 0.169 18728 1762 1 2 . 1 1 142 142 SER C C 142 176.080 176.080 175.711 0.369 18728 1763 1 2 . 1 1 142 142 SER CA C 142 58.429 58.429 59.355 -0.926 18728 1764 1 2 . 1 1 142 142 SER CB C 142 65.439 65.439 63.947 1.492 18728 1765 1 2 . 1 1 142 142 SER H H 142 8.034 8.034 8.633 -0.599 18728 1766 1 2 . 1 1 143 143 GLY N N 143 112.348 112.348 108.370 3.978 18728 1767 1 2 . 1 1 143 143 GLY C C 143 173.949 173.949 173.763 0.186 18728 1768 1 2 . 1 1 143 143 GLY CA C 143 45.703 45.703 45.743 -0.040 18728 1769 1 2 . 1 1 143 143 GLY H H 143 8.363 8.363 8.150 0.213 18728 1770 1 2 . 1 1 144 144 LYS N N 144 119.966 119.966 120.053 -0.087 18728 1771 1 2 . 1 1 144 144 LYS HA H 144 4.273 4.273 4.544 -0.271 18728 1772 1 2 . 1 1 144 144 LYS C C 144 176.969 176.969 176.034 0.935 18728 1773 1 2 . 1 1 144 144 LYS CA C 144 56.145 56.145 53.769 2.376 18728 1774 1 2 . 1 1 144 144 LYS CB C 144 33.378 33.378 33.951 -0.573 18728 1775 1 2 . 1 1 144 144 LYS H H 144 7.786 7.786 7.780 0.006 18728 1776 1 2 . 1 1 145 145 LYS N N 145 123.668 123.668 122.948 0.720 18728 1777 1 2 . 1 1 145 145 LYS HA H 145 4.187 4.187 4.224 -0.037 18728 1778 1 2 . 1 1 145 145 LYS C C 145 177.498 177.498 175.717 1.781 18728 1779 1 2 . 1 1 145 145 LYS CA C 145 57.392 57.392 56.421 0.971 18728 1780 1 2 . 1 1 145 145 LYS CB C 145 32.577 32.577 31.881 0.696 18728 1781 1 2 . 1 1 145 145 LYS H H 145 8.968 8.968 8.644 0.324 18728 1782 1 2 . 1 1 146 146 ARG N N 146 119.700 119.700 124.022 -4.322 18728 1783 1 2 . 1 1 146 146 ARG HA H 146 4.294 4.294 4.383 -0.089 18728 1784 1 2 . 1 1 146 146 ARG CA C 146 56.365 56.365 55.601 0.764 18728 1785 1 2 . 1 1 146 146 ARG CB C 146 30.786 30.786 32.802 -2.016 18728 1786 1 2 . 1 1 146 146 ARG H H 146 8.095 8.095 7.735 0.360 18728 1787 1 2 . 1 1 147 147 GLY N N 147 110.572 110.572 109.327 1.245 18728 1788 1 2 . 1 1 147 147 GLY C C 147 173.384 173.384 173.020 0.364 18728 1789 1 2 . 1 1 147 147 GLY CA C 147 45.440 45.440 45.299 0.141 18728 1790 1 2 . 1 1 147 147 GLY H H 147 8.401 8.401 8.847 -0.446 18728 1791 1 2 . 1 1 148 148 PHE N N 148 114.199 114.199 116.122 -1.923 18728 1792 1 2 . 1 1 148 148 PHE HA H 148 5.194 5.194 5.282 -0.088 18728 1793 1 2 . 1 1 148 148 PHE C C 148 172.409 172.409 172.730 -0.321 18728 1794 1 2 . 1 1 148 148 PHE CA C 148 55.282 55.282 55.850 -0.568 18728 1795 1 2 . 1 1 148 148 PHE CB C 148 41.869 41.869 40.215 1.654 18728 1796 1 2 . 1 1 148 148 PHE H H 148 7.255 7.255 7.294 -0.039 18728 1797 1 2 . 1 1 149 149 ALA N N 149 121.427 121.427 120.031 1.396 18728 1798 1 2 . 1 1 149 149 ALA HA H 149 4.966 4.966 4.827 0.139 18728 1799 1 2 . 1 1 149 149 ALA C C 149 174.084 174.084 174.414 -0.330 18728 1800 1 2 . 1 1 149 149 ALA CA C 149 49.755 49.755 50.642 -0.887 18728 1801 1 2 . 1 1 149 149 ALA CB C 149 25.094 25.094 22.734 2.360 18728 1802 1 2 . 1 1 149 149 ALA H H 149 8.786 8.786 8.871 -0.085 18728 1803 1 2 . 1 1 150 150 PHE N N 150 114.425 114.425 115.844 -1.419 18728 1804 1 2 . 1 1 150 150 PHE HA H 150 5.874 5.874 5.326 0.548 18728 1805 1 2 . 1 1 150 150 PHE C C 150 176.196 176.196 174.237 1.959 18728 1806 1 2 . 1 1 150 150 PHE CA C 150 56.070 56.070 57.112 -1.042 18728 1807 1 2 . 1 1 150 150 PHE CB C 150 43.251 43.251 44.267 -1.016 18728 1808 1 2 . 1 1 150 150 PHE H H 150 8.689 8.689 9.182 -0.493 18728 1809 1 2 . 1 1 151 151 VAL N N 151 122.489 122.489 121.972 0.517 18728 1810 1 2 . 1 1 151 151 VAL HA H 151 4.375 4.375 4.418 -0.043 18728 1811 1 2 . 1 1 151 151 VAL C C 151 173.932 173.932 174.916 -0.984 18728 1812 1 2 . 1 1 151 151 VAL CA C 151 61.454 61.454 61.605 -0.151 18728 1813 1 2 . 1 1 151 151 VAL CB C 151 33.869 33.869 34.391 -0.522 18728 1814 1 2 . 1 1 151 151 VAL H H 151 8.559 8.559 8.790 -0.231 18728 1815 1 2 . 1 1 152 152 THR N N 152 123.112 123.112 123.734 -0.622 18728 1816 1 2 . 1 1 152 152 THR HA H 152 4.995 4.995 4.759 0.236 18728 1817 1 2 . 1 1 152 152 THR C C 152 174.047 174.047 173.538 0.509 18728 1818 1 2 . 1 1 152 152 THR CA C 152 61.931 61.931 62.491 -0.560 18728 1819 1 2 . 1 1 152 152 THR CB C 152 69.689 69.689 69.685 0.004 18728 1820 1 2 . 1 1 152 152 THR H H 152 8.723 8.723 8.587 0.136 18728 1821 1 2 . 1 1 153 153 PHE N N 153 127.746 127.746 127.431 0.315 18728 1822 1 2 . 1 1 153 153 PHE HA H 153 4.840 4.840 4.773 0.067 18728 1823 1 2 . 1 1 153 153 PHE C C 153 174.720 174.720 175.631 -0.911 18728 1824 1 2 . 1 1 153 153 PHE CA C 153 58.098 58.098 57.545 0.553 18728 1825 1 2 . 1 1 153 153 PHE CB C 153 41.706 41.706 41.882 -0.176 18728 1826 1 2 . 1 1 153 153 PHE H H 153 9.368 9.368 9.394 -0.026 18728 1827 1 2 . 1 1 154 154 ASP N N 154 118.371 118.371 120.881 -2.510 18728 1828 1 2 . 1 1 154 154 ASP HA H 154 4.486 4.486 4.628 -0.142 18728 1829 1 2 . 1 1 154 154 ASP C C 154 175.668 175.668 175.025 0.643 18728 1830 1 2 . 1 1 154 154 ASP CA C 154 56.114 56.114 55.769 0.345 18728 1831 1 2 . 1 1 154 154 ASP CB C 154 42.576 42.576 42.314 0.262 18728 1832 1 2 . 1 1 154 154 ASP H H 154 8.196 8.196 8.945 -0.749 18728 1833 1 2 . 1 1 155 155 ASP N N 155 117.144 117.144 116.715 0.429 18728 1834 1 2 . 1 1 155 155 ASP HA H 155 4.909 4.909 4.852 0.057 18728 1835 1 2 . 1 1 155 155 ASP C C 155 176.392 176.392 175.434 0.958 18728 1836 1 2 . 1 1 155 155 ASP CA C 155 52.615 52.615 52.683 -0.068 18728 1837 1 2 . 1 1 155 155 ASP CB C 155 44.471 44.471 44.224 0.247 18728 1838 1 2 . 1 1 155 155 ASP H H 155 8.323 8.323 7.585 0.738 18728 1839 1 2 . 1 1 156 156 HIS N N 156 121.508 121.508 119.869 1.639 18728 1840 1 2 . 1 1 156 156 HIS HA H 156 4.336 4.336 4.671 -0.335 18728 1841 1 2 . 1 1 156 156 HIS C C 156 176.855 176.855 176.004 0.851 18728 1842 1 2 . 1 1 156 156 HIS CA C 156 58.593 58.593 57.100 1.493 18728 1843 1 2 . 1 1 156 156 HIS CB C 156 29.703 29.703 29.964 -0.261 18728 1844 1 2 . 1 1 156 156 HIS H H 156 8.492 8.492 8.393 0.099 18728 1845 1 2 . 1 1 157 157 ASP N N 157 122.539 122.539 119.686 2.853 18728 1846 1 2 . 1 1 157 157 ASP HA H 157 4.254 4.254 4.429 -0.175 18728 1847 1 2 . 1 1 157 157 ASP C C 157 178.233 178.233 178.289 -0.056 18728 1848 1 2 . 1 1 157 157 ASP CA C 157 57.047 57.047 57.228 -0.181 18728 1849 1 2 . 1 1 157 157 ASP CB C 157 40.875 40.875 40.524 0.351 18728 1850 1 2 . 1 1 157 157 ASP H H 157 8.345 8.345 8.386 -0.041 18728 1851 1 2 . 1 1 158 158 SER N N 158 113.623 113.623 114.772 -1.149 18728 1852 1 2 . 1 1 158 158 SER HA H 158 3.899 3.899 4.161 -0.262 18728 1853 1 2 . 1 1 158 158 SER C C 158 174.750 174.750 175.686 -0.936 18728 1854 1 2 . 1 1 158 158 SER CA C 158 61.914 61.914 61.672 0.242 18728 1855 1 2 . 1 1 158 158 SER CB C 158 63.088 63.088 63.045 0.043 18728 1856 1 2 . 1 1 158 158 SER H H 158 7.424 7.424 7.786 -0.362 18728 1857 1 2 . 1 1 159 159 VAL N N 159 118.448 118.448 121.878 -3.430 18728 1858 1 2 . 1 1 159 159 VAL HA H 159 2.913 2.913 3.324 -0.411 18728 1859 1 2 . 1 1 159 159 VAL C C 159 177.269 177.269 177.192 0.077 18728 1860 1 2 . 1 1 159 159 VAL CA C 159 66.512 66.512 65.456 1.056 18728 1861 1 2 . 1 1 159 159 VAL CB C 159 31.395 31.395 31.700 -0.305 18728 1862 1 2 . 1 1 159 159 VAL H H 159 6.484 6.484 6.923 -0.439 18728 1863 1 2 . 1 1 160 160 ASP N N 160 119.064 119.064 120.171 -1.107 18728 1864 1 2 . 1 1 160 160 ASP HA H 160 4.275 4.275 4.293 -0.018 18728 1865 1 2 . 1 1 160 160 ASP C C 160 178.284 178.284 178.349 -0.065 18728 1866 1 2 . 1 1 160 160 ASP CA C 160 57.798 57.798 57.736 0.062 18728 1867 1 2 . 1 1 160 160 ASP CB C 160 40.288 40.288 40.910 -0.623 18728 1868 1 2 . 1 1 160 160 ASP H H 160 7.663 7.663 8.110 -0.447 18728 1869 1 2 . 1 1 161 161 LYS N N 161 116.568 116.568 118.455 -1.887 18728 1870 1 2 . 1 1 161 161 LYS HA H 161 4.030 4.030 4.042 -0.012 18728 1871 1 2 . 1 1 161 161 LYS C C 161 178.205 178.205 178.429 -0.224 18728 1872 1 2 . 1 1 161 161 LYS CA C 161 58.796 58.796 59.398 -0.602 18728 1873 1 2 . 1 1 161 161 LYS CB C 161 33.298 33.298 32.602 0.696 18728 1874 1 2 . 1 1 161 161 LYS H H 161 7.465 7.465 7.731 -0.266 18728 1875 1 2 . 1 1 162 162 ILE N N 162 119.457 119.457 116.776 2.681 18728 1876 1 2 . 1 1 162 162 ILE HA H 162 3.241 3.241 3.602 -0.361 18728 1877 1 2 . 1 1 162 162 ILE C C 162 179.129 179.129 177.785 1.344 18728 1878 1 2 . 1 1 162 162 ILE CA C 162 65.201 65.201 64.352 0.849 18728 1879 1 2 . 1 1 162 162 ILE CB C 162 39.170 39.170 37.931 1.239 18728 1880 1 2 . 1 1 162 162 ILE H H 162 7.367 7.367 6.963 0.404 18728 1881 1 2 . 1 1 163 163 VAL N N 163 109.705 109.705 116.592 -6.887 18728 1882 1 2 . 1 1 163 163 VAL HA H 163 4.093 4.093 3.978 0.115 18728 1883 1 2 . 1 1 163 163 VAL C C 163 176.685 176.685 176.659 0.026 18728 1884 1 2 . 1 1 163 163 VAL CA C 163 64.137 64.137 64.675 -0.538 18728 1885 1 2 . 1 1 163 163 VAL CB C 163 30.720 30.720 31.121 -0.401 18728 1886 1 2 . 1 1 163 163 VAL H H 163 7.814 7.814 7.623 0.191 18728 1887 1 2 . 1 1 164 164 ILE N N 164 118.885 118.885 118.636 0.249 18728 1888 1 2 . 1 1 164 164 ILE HA H 164 3.968 3.968 3.844 0.124 18728 1889 1 2 . 1 1 164 164 ILE C C 164 176.006 176.006 176.094 -0.088 18728 1890 1 2 . 1 1 164 164 ILE CA C 164 63.328 63.328 63.449 -0.121 18728 1891 1 2 . 1 1 164 164 ILE CB C 164 38.136 38.136 38.239 -0.103 18728 1892 1 2 . 1 1 164 164 ILE H H 164 6.979 6.979 7.201 -0.222 18728 1893 1 2 . 1 1 165 165 GLN N N 165 120.509 120.509 117.235 3.274 18728 1894 1 2 . 1 1 165 165 GLN HA H 165 4.472 4.472 4.527 -0.055 18728 1895 1 2 . 1 1 165 165 GLN C C 165 174.808 174.808 175.304 -0.496 18728 1896 1 2 . 1 1 165 165 GLN CA C 165 54.743 54.743 54.661 0.082 18728 1897 1 2 . 1 1 165 165 GLN CB C 165 30.183 30.183 29.341 0.842 18728 1898 1 2 . 1 1 165 165 GLN H H 165 7.490 7.490 7.742 -0.252 18728 1899 1 2 . 1 1 166 166 LYS N N 166 122.953 122.953 124.379 -1.426 18728 1900 1 2 . 1 1 166 166 LYS HA H 166 3.992 3.992 3.972 0.020 18728 1901 1 2 . 1 1 166 166 LYS C C 166 175.496 175.496 175.577 -0.081 18728 1902 1 2 . 1 1 166 166 LYS CA C 166 59.718 59.718 59.202 0.516 18728 1903 1 2 . 1 1 166 166 LYS CB C 166 33.115 33.115 33.072 0.043 18728 1904 1 2 . 1 1 166 166 LYS H H 166 8.085 8.085 8.842 -0.757 18728 1905 1 2 . 1 1 167 167 TYR N N 167 114.210 114.210 114.129 0.081 18728 1906 1 2 . 1 1 167 167 TYR HA H 167 5.457 5.457 5.441 0.016 18728 1907 1 2 . 1 1 167 167 TYR C C 167 175.593 175.593 175.822 -0.229 18728 1908 1 2 . 1 1 167 167 TYR CA C 167 56.417 56.417 56.981 -0.564 18728 1909 1 2 . 1 1 167 167 TYR CB C 167 40.057 40.057 41.335 -1.278 18728 1910 1 2 . 1 1 167 167 TYR H H 167 7.740 7.740 7.740 0.000 18728 1911 1 2 . 1 1 168 168 HIS N N 168 122.617 122.617 121.835 0.782 18728 1912 1 2 . 1 1 168 168 HIS HA H 168 4.526 4.526 5.057 -0.531 18728 1913 1 2 . 1 1 168 168 HIS C C 168 174.213 174.213 174.563 -0.350 18728 1914 1 2 . 1 1 168 168 HIS CA C 168 55.233 55.233 55.155 0.078 18728 1915 1 2 . 1 1 168 168 HIS CB C 168 34.906 34.906 34.183 0.723 18728 1916 1 2 . 1 1 168 168 HIS H H 168 9.035 9.035 9.453 -0.418 18728 1917 1 2 . 1 1 169 169 THR N N 169 121.981 121.981 120.991 0.990 18728 1918 1 2 . 1 1 169 169 THR HA H 169 4.722 4.722 4.407 0.315 18728 1919 1 2 . 1 1 169 169 THR C C 169 172.973 172.973 173.835 -0.862 18728 1920 1 2 . 1 1 169 169 THR CA C 169 61.620 61.620 62.523 -0.903 18728 1921 1 2 . 1 1 169 169 THR CB C 169 68.692 68.692 68.763 -0.071 18728 1922 1 2 . 1 1 169 169 THR H H 169 8.784 8.784 8.608 0.176 18728 1923 1 2 . 1 1 170 170 VAL N N 170 125.540 125.540 127.219 -1.679 18728 1924 1 2 . 1 1 170 170 VAL HA H 170 3.751 3.751 3.793 -0.042 18728 1925 1 2 . 1 1 170 170 VAL C C 170 175.997 175.997 175.994 0.003 18728 1926 1 2 . 1 1 170 170 VAL CA C 170 60.770 60.770 60.132 0.638 18728 1927 1 2 . 1 1 170 170 VAL CB C 170 34.216 34.216 33.480 0.736 18728 1928 1 2 . 1 1 170 170 VAL H H 170 8.268 8.268 8.737 -0.469 18728 1929 1 2 . 1 1 171 171 ASN N N 171 126.811 126.811 127.123 -0.312 18728 1930 1 2 . 1 1 171 171 ASN HA H 171 4.065 4.065 4.265 -0.200 18728 1931 1 2 . 1 1 171 171 ASN C C 171 174.266 174.266 175.306 -1.040 18728 1932 1 2 . 1 1 171 171 ASN CA C 171 53.184 53.184 53.888 -0.704 18728 1933 1 2 . 1 1 171 171 ASN CB C 171 37.436 37.436 37.668 -0.232 18728 1934 1 2 . 1 1 171 171 ASN H H 171 9.437 9.437 9.134 0.303 18728 1935 1 2 . 1 1 172 172 GLY N N 172 100.629 100.629 103.597 -2.968 18728 1936 1 2 . 1 1 172 172 GLY C C 172 173.335 173.335 173.728 -0.393 18728 1937 1 2 . 1 1 172 172 GLY CA C 172 45.154 45.154 45.294 -0.140 18728 1938 1 2 . 1 1 172 172 GLY H H 172 8.194 8.194 8.394 -0.200 18728 1939 1 2 . 1 1 173 173 HIS N N 173 119.555 119.555 122.251 -2.696 18728 1940 1 2 . 1 1 173 173 HIS HA H 173 4.860 4.860 4.766 0.094 18728 1941 1 2 . 1 1 173 173 HIS CA C 173 53.723 53.723 54.230 -0.507 18728 1942 1 2 . 1 1 173 173 HIS CB C 173 31.589 31.589 31.562 0.027 18728 1943 1 2 . 1 1 173 173 HIS H H 173 7.657 7.657 7.933 -0.276 18728 1944 1 2 . 1 1 174 174 ASN N N 174 122.936 122.936 125.127 -2.191 18728 1945 1 2 . 1 1 174 174 ASN HA H 174 4.794 4.794 4.901 -0.107 18728 1946 1 2 . 1 1 174 174 ASN C C 174 174.918 174.918 174.889 0.029 18728 1947 1 2 . 1 1 174 174 ASN CA C 174 53.748 53.748 52.275 1.473 18728 1948 1 2 . 1 1 174 174 ASN CB C 174 38.185 38.185 38.206 -0.021 18728 1949 1 2 . 1 1 174 174 ASN H H 174 8.828 8.828 8.269 0.559 18728 1950 1 2 . 1 1 175 175 CYS N N 175 126.425 126.425 120.461 5.964 18728 1951 1 2 . 1 1 175 175 CYS HA H 175 4.872 4.872 4.861 0.011 18728 1952 1 2 . 1 1 175 175 CYS C C 175 173.853 173.853 173.968 -0.115 18728 1953 1 2 . 1 1 175 175 CYS CA C 175 59.380 59.380 56.088 3.292 18728 1954 1 2 . 1 1 175 175 CYS CB C 175 29.966 29.966 30.821 -0.855 18728 1955 1 2 . 1 1 175 175 CYS H H 175 9.078 9.078 8.886 0.192 18728 1956 1 2 . 1 1 176 176 GLU N N 176 124.488 124.488 121.256 3.232 18728 1957 1 2 . 1 1 176 176 GLU HA H 176 4.661 4.661 4.867 -0.206 18728 1958 1 2 . 1 1 176 176 GLU C C 176 175.343 175.343 175.759 -0.416 18728 1959 1 2 . 1 1 176 176 GLU CA C 176 55.296 55.296 55.322 -0.025 18728 1960 1 2 . 1 1 176 176 GLU CB C 176 31.550 31.550 31.187 0.363 18728 1961 1 2 . 1 1 176 176 GLU H H 176 8.161 8.161 8.866 -0.705 18728 1962 1 2 . 1 1 177 177 VAL N N 177 122.521 122.521 119.792 2.729 18728 1963 1 2 . 1 1 177 177 VAL HA H 177 5.628 5.628 5.551 0.077 18728 1964 1 2 . 1 1 177 177 VAL C C 177 175.720 175.720 174.206 1.514 18728 1965 1 2 . 1 1 177 177 VAL CA C 177 59.713 59.713 58.824 0.889 18728 1966 1 2 . 1 1 177 177 VAL CB C 177 34.523 34.523 35.937 -1.414 18728 1967 1 2 . 1 1 177 177 VAL H H 177 8.684 8.684 8.887 -0.203 18728 1968 1 2 . 1 1 178 178 ARG N N 178 119.915 119.915 116.746 3.169 18728 1969 1 2 . 1 1 178 178 ARG HA H 178 4.746 4.746 4.584 0.162 18728 1970 1 2 . 1 1 178 178 ARG C C 178 175.689 175.689 174.768 0.921 18728 1971 1 2 . 1 1 178 178 ARG CA C 178 54.212 54.212 55.279 -1.067 18728 1972 1 2 . 1 1 178 178 ARG CB C 178 34.184 34.184 32.467 1.717 18728 1973 1 2 . 1 1 178 178 ARG H H 178 8.701 8.701 8.104 0.597 18728 1974 1 2 . 1 1 179 179 LYS N N 179 121.001 121.001 120.920 0.081 18728 1975 1 2 . 1 1 179 179 LYS HA H 179 4.098 4.098 4.247 -0.149 18728 1976 1 2 . 1 1 179 179 LYS C C 179 176.026 176.026 176.114 -0.088 18728 1977 1 2 . 1 1 179 179 LYS CA C 179 59.027 59.027 56.585 2.442 18728 1978 1 2 . 1 1 179 179 LYS CB C 179 33.377 33.377 32.005 1.371 18728 1979 1 2 . 1 1 179 179 LYS H H 179 8.990 8.990 8.131 0.859 18728 1980 1 2 . 1 1 180 180 ALA N N 180 126.810 126.810 127.434 -0.624 18728 1981 1 2 . 1 1 180 180 ALA HA H 180 4.565 4.565 4.803 -0.238 18728 1982 1 2 . 1 1 180 180 ALA C C 180 175.318 175.318 175.747 -0.429 18728 1983 1 2 . 1 1 180 180 ALA CA C 180 51.432 51.432 50.815 0.617 18728 1984 1 2 . 1 1 180 180 ALA CB C 180 19.201 19.201 21.643 -2.442 18728 1985 1 2 . 1 1 180 180 ALA H H 180 8.378 8.378 8.549 -0.171 18728 1986 1 2 . 1 1 181 181 LEU N N 181 122.300 122.300 125.318 -3.018 18728 1987 1 2 . 1 1 181 181 LEU HA H 181 4.401 4.401 4.636 -0.235 18728 1988 1 2 . 1 1 181 181 LEU CA C 181 54.737 54.737 53.816 0.920 18728 1989 1 2 . 1 1 181 181 LEU CB C 181 43.199 43.199 42.189 1.010 18728 1990 1 2 . 1 1 181 181 LEU H H 181 8.001 8.001 8.556 -0.555 18728 1991 1 2 . 1 1 182 182 SER HA H 182 4.406 4.406 4.301 0.105 18728 1992 1 2 . 1 1 182 182 SER CA C 182 58.100 58.100 58.673 -0.574 18728 1993 1 2 . 1 1 182 182 SER CB C 182 64.440 64.440 63.935 0.505 18728 1994 1 2 . 1 1 183 183 LYS HA H 183 4.101 4.101 3.970 0.131 18728 1995 1 2 . 1 1 183 183 LYS C C 183 177.343 177.343 179.117 -1.774 18728 1996 1 2 . 1 1 183 183 LYS CA C 183 57.744 57.744 59.692 -1.948 18728 1997 1 2 . 1 1 183 183 LYS CB C 183 32.586 32.586 32.069 0.517 18728 1998 1 2 . 1 1 184 184 GLN N N 184 120.056 120.056 119.261 0.795 18728 1999 1 2 . 1 1 184 184 GLN HA H 184 4.167 4.167 4.113 0.054 18728 2000 1 2 . 1 1 184 184 GLN C C 184 176.718 176.718 178.492 -1.774 18728 2001 1 2 . 1 1 184 184 GLN CA C 184 56.981 56.981 59.243 -2.262 18728 2002 1 2 . 1 1 184 184 GLN CB C 184 28.990 28.990 28.213 0.777 18728 2003 1 2 . 1 1 184 184 GLN H H 184 8.320 8.320 8.605 -0.285 18728 2004 1 2 . 1 1 185 185 GLU N N 185 121.610 121.610 120.182 1.428 18728 2005 1 2 . 1 1 185 185 GLU HA H 185 4.132 4.132 4.076 0.056 18728 2006 1 2 . 1 1 185 185 GLU C C 185 177.117 177.117 179.320 -2.203 18728 2007 1 2 . 1 1 185 185 GLU CA C 185 57.234 57.234 59.241 -2.007 18728 2008 1 2 . 1 1 185 185 GLU CB C 185 30.235 30.235 29.295 0.940 18728 2009 1 2 . 1 1 185 185 GLU H H 185 8.143 8.143 8.524 -0.381 18728 2010 1 2 . 1 1 186 186 MET N N 186 120.092 120.092 118.389 1.703 18728 2011 1 2 . 1 1 186 186 MET HA H 186 4.289 4.289 4.258 0.031 18728 2012 1 2 . 1 1 186 186 MET C C 186 176.438 176.438 177.576 -1.138 18728 2013 1 2 . 1 1 186 186 MET CA C 186 56.069 56.069 58.326 -2.257 18728 2014 1 2 . 1 1 186 186 MET CB C 186 32.847 32.847 32.714 0.133 18728 2015 1 2 . 1 1 186 186 MET H H 186 8.195 8.195 8.673 -0.478 18728 2016 1 2 . 1 1 187 187 ALA N N 187 124.104 124.104 119.419 4.685 18728 2017 1 2 . 1 1 187 187 ALA HA H 187 4.297 4.297 4.460 -0.163 18728 2018 1 2 . 1 1 187 187 ALA C C 187 178.107 178.107 177.309 0.798 18728 2019 1 2 . 1 1 187 187 ALA CA C 187 52.912 52.912 51.810 1.102 18728 2020 1 2 . 1 1 187 187 ALA CB C 187 19.060 19.060 18.947 0.113 18728 2021 1 2 . 1 1 187 187 ALA H H 187 8.060 8.060 7.539 0.521 18728 2022 1 2 . 1 1 188 188 SER N N 188 114.374 114.374 116.906 -2.532 18728 2023 1 2 . 1 1 188 188 SER HA H 188 4.357 4.357 4.418 -0.061 18728 2024 1 2 . 1 1 188 188 SER C C 188 174.757 174.757 173.956 0.801 18728 2025 1 2 . 1 1 188 188 SER CA C 188 58.598 58.598 58.442 0.156 18728 2026 1 2 . 1 1 188 188 SER CB C 188 63.734 63.734 61.932 1.802 18728 2027 1 2 . 1 1 188 188 SER H H 188 8.173 8.173 7.401 0.772 18728 2028 1 2 . 1 1 189 189 ALA N N 189 125.637 125.637 127.225 -1.588 18728 2029 1 2 . 1 1 189 189 ALA HA H 189 4.246 4.246 4.445 -0.199 18728 2030 1 2 . 1 1 189 189 ALA CA C 189 53.015 53.015 51.231 1.784 18728 2031 1 2 . 1 1 189 189 ALA CB C 189 19.069 19.069 20.180 -1.111 18728 2032 1 2 . 1 1 189 189 ALA H H 189 8.207 8.207 7.913 0.294 18728 2033 1 3 . 1 1 5 5 GLU N N 5 122.509 122.509 122.195 0.314 18728 2034 1 3 . 1 1 5 5 GLU HA H 5 4.345 4.345 4.454 -0.109 18728 2035 1 3 . 1 1 5 5 GLU C C 5 176.240 176.240 175.807 0.433 18728 2036 1 3 . 1 1 5 5 GLU CA C 5 56.190 56.190 55.682 0.508 18728 2037 1 3 . 1 1 5 5 GLU CB C 5 30.611 30.611 30.770 -0.159 18728 2038 1 3 . 1 1 5 5 GLU H H 5 8.321 8.321 7.749 0.572 18728 2039 1 3 . 1 1 6 6 SER N N 6 118.728 118.728 120.433 -1.705 18728 2040 1 3 . 1 1 6 6 SER HA H 6 4.342 4.342 4.793 -0.451 18728 2041 1 3 . 1 1 6 6 SER CA C 6 56.305 56.305 56.387 -0.082 18728 2042 1 3 . 1 1 6 6 SER CB C 6 63.241 63.241 63.487 -0.246 18728 2043 1 3 . 1 1 6 6 SER H H 6 8.349 8.349 8.442 -0.093 18728 2044 1 3 . 1 1 7 7 PRO HA H 7 4.427 4.427 4.622 -0.195 18728 2045 1 3 . 1 1 7 7 PRO C C 7 177.027 177.027 176.436 0.591 18728 2046 1 3 . 1 1 7 7 PRO CA C 7 63.271 63.271 62.931 0.340 18728 2047 1 3 . 1 1 7 7 PRO CB C 7 32.111 32.111 32.579 -0.468 18728 2048 1 3 . 1 1 8 8 LYS N N 8 121.819 121.819 121.532 0.287 18728 2049 1 3 . 1 1 8 8 LYS HA H 8 4.290 4.290 4.461 -0.171 18728 2050 1 3 . 1 1 8 8 LYS C C 8 177.015 177.015 176.072 0.943 18728 2051 1 3 . 1 1 8 8 LYS CA C 8 56.455 56.455 56.717 -0.262 18728 2052 1 3 . 1 1 8 8 LYS CB C 8 33.341 33.341 32.936 0.405 18728 2053 1 3 . 1 1 8 8 LYS H H 8 8.445 8.445 8.620 -0.175 18728 2054 1 3 . 1 1 9 9 GLU N N 9 121.243 121.243 120.624 0.619 18728 2055 1 3 . 1 1 9 9 GLU HA H 9 4.606 4.606 4.687 -0.081 18728 2056 1 3 . 1 1 9 9 GLU CA C 9 54.480 54.480 53.464 1.016 18728 2057 1 3 . 1 1 9 9 GLU CB C 9 29.572 29.572 30.121 -0.549 18728 2058 1 3 . 1 1 9 9 GLU H H 9 8.313 8.313 7.784 0.529 18728 2059 1 3 . 1 1 10 10 PRO HA H 10 4.335 4.335 4.430 -0.095 18728 2060 1 3 . 1 1 10 10 PRO C C 10 177.491 177.491 177.917 -0.426 18728 2061 1 3 . 1 1 10 10 PRO CA C 10 63.587 63.587 62.519 1.068 18728 2062 1 3 . 1 1 10 10 PRO CB C 10 32.374 32.374 32.660 -0.285 18728 2063 1 3 . 1 1 11 11 GLU N N 11 123.071 123.071 120.786 2.285 18728 2064 1 3 . 1 1 11 11 GLU HA H 11 3.686 3.686 3.871 -0.185 18728 2065 1 3 . 1 1 11 11 GLU C C 11 177.984 177.984 177.982 0.002 18728 2066 1 3 . 1 1 11 11 GLU CA C 11 59.651 59.651 59.625 0.026 18728 2067 1 3 . 1 1 11 11 GLU CB C 11 29.819 29.819 28.956 0.863 18728 2068 1 3 . 1 1 11 11 GLU H H 11 8.692 8.692 8.791 -0.099 18728 2069 1 3 . 1 1 12 12 GLN N N 12 116.079 116.079 116.164 -0.085 18728 2070 1 3 . 1 1 12 12 GLN HA H 12 3.979 3.979 4.198 -0.219 18728 2071 1 3 . 1 1 12 12 GLN C C 12 177.579 177.579 178.065 -0.486 18728 2072 1 3 . 1 1 12 12 GLN CA C 12 58.526 58.526 58.266 0.260 18728 2073 1 3 . 1 1 12 12 GLN CB C 12 28.112 28.112 28.266 -0.154 18728 2074 1 3 . 1 1 12 12 GLN H H 12 8.647 8.647 8.483 0.164 18728 2075 1 3 . 1 1 13 13 LEU N N 13 116.530 116.530 118.942 -2.412 18728 2076 1 3 . 1 1 13 13 LEU HA H 13 4.264 4.264 4.433 -0.169 18728 2077 1 3 . 1 1 13 13 LEU C C 13 177.080 177.080 176.750 0.330 18728 2078 1 3 . 1 1 13 13 LEU CA C 13 55.945 55.945 55.969 -0.025 18728 2079 1 3 . 1 1 13 13 LEU CB C 13 42.317 42.317 42.435 -0.118 18728 2080 1 3 . 1 1 13 13 LEU H H 13 7.471 7.471 7.805 -0.334 18728 2081 1 3 . 1 1 14 14 ARG N N 14 116.981 116.981 113.018 3.963 18728 2082 1 3 . 1 1 14 14 ARG HA H 14 4.417 4.417 4.519 -0.102 18728 2083 1 3 . 1 1 14 14 ARG C C 14 172.996 172.996 175.566 -2.570 18728 2084 1 3 . 1 1 14 14 ARG CA C 14 56.067 56.067 55.456 0.611 18728 2085 1 3 . 1 1 14 14 ARG CB C 14 29.944 29.944 31.241 -1.297 18728 2086 1 3 . 1 1 14 14 ARG H H 14 7.576 7.576 7.431 0.145 18728 2087 1 3 . 1 1 15 15 LYS N N 15 119.990 119.990 122.068 -2.078 18728 2088 1 3 . 1 1 15 15 LYS HA H 15 5.198 5.198 4.972 0.226 18728 2089 1 3 . 1 1 15 15 LYS CA C 15 55.301 55.301 55.325 -0.024 18728 2090 1 3 . 1 1 15 15 LYS CB C 15 35.888 35.888 35.322 0.566 18728 2091 1 3 . 1 1 15 15 LYS H H 15 6.946 6.946 7.889 -0.943 18728 2092 1 3 . 1 1 16 16 LEU N N 16 126.081 126.081 124.197 1.884 18728 2093 1 3 . 1 1 16 16 LEU HA H 16 5.016 5.016 5.355 -0.339 18728 2094 1 3 . 1 1 16 16 LEU C C 16 176.309 176.309 175.682 0.627 18728 2095 1 3 . 1 1 16 16 LEU CA C 16 53.334 53.334 53.156 0.178 18728 2096 1 3 . 1 1 16 16 LEU CB C 16 45.062 45.062 45.575 -0.513 18728 2097 1 3 . 1 1 16 16 LEU H H 16 9.605 9.605 8.995 0.610 18728 2098 1 3 . 1 1 17 17 PHE N N 17 123.569 123.569 124.844 -1.275 18728 2099 1 3 . 1 1 17 17 PHE HA H 17 4.585 4.585 5.301 -0.716 18728 2100 1 3 . 1 1 17 17 PHE C C 17 174.362 174.362 173.885 0.477 18728 2101 1 3 . 1 1 17 17 PHE CA C 17 57.153 57.153 56.075 1.078 18728 2102 1 3 . 1 1 17 17 PHE CB C 17 40.603 40.603 41.804 -1.201 18728 2103 1 3 . 1 1 17 17 PHE H H 17 9.023 9.023 9.423 -0.400 18728 2104 1 3 . 1 1 18 18 ILE N N 18 126.932 126.932 127.284 -0.352 18728 2105 1 3 . 1 1 18 18 ILE HA H 18 4.029 4.029 4.221 -0.192 18728 2106 1 3 . 1 1 18 18 ILE C C 18 173.832 173.832 174.587 -0.755 18728 2107 1 3 . 1 1 18 18 ILE CA C 18 59.156 59.156 58.049 1.107 18728 2108 1 3 . 1 1 18 18 ILE CB C 18 36.909 36.909 37.209 -0.300 18728 2109 1 3 . 1 1 18 18 ILE H H 18 8.486 8.486 8.669 -0.183 18728 2110 1 3 . 1 1 19 19 GLY N N 19 112.953 112.953 112.352 0.601 18728 2111 1 3 . 1 1 19 19 GLY C C 19 174.426 174.426 173.989 0.437 18728 2112 1 3 . 1 1 19 19 GLY CA C 19 43.611 43.611 43.044 0.567 18728 2113 1 3 . 1 1 19 19 GLY H H 19 7.948 7.948 8.570 -0.622 18728 2114 1 3 . 1 1 20 20 GLY N N 20 107.584 107.584 109.857 -2.273 18728 2115 1 3 . 1 1 20 20 GLY C C 20 175.563 175.563 174.411 1.152 18728 2116 1 3 . 1 1 20 20 GLY CA C 20 46.530 46.530 45.217 1.313 18728 2117 1 3 . 1 1 20 20 GLY H H 20 8.542 8.542 8.151 0.391 18728 2118 1 3 . 1 1 21 21 LEU N N 21 115.232 115.232 119.132 -3.900 18728 2119 1 3 . 1 1 21 21 LEU HA H 21 4.025 4.025 4.212 -0.187 18728 2120 1 3 . 1 1 21 21 LEU C C 21 179.121 179.121 175.888 3.233 18728 2121 1 3 . 1 1 21 21 LEU CA C 21 54.192 54.192 54.614 -0.422 18728 2122 1 3 . 1 1 21 21 LEU CB C 21 42.892 42.892 42.742 0.150 18728 2123 1 3 . 1 1 21 21 LEU H H 21 7.472 7.472 7.998 -0.526 18728 2124 1 3 . 1 1 22 22 SER N N 22 114.737 114.737 113.967 0.770 18728 2125 1 3 . 1 1 22 22 SER HA H 22 4.125 4.125 4.585 -0.460 18728 2126 1 3 . 1 1 22 22 SER C C 22 177.842 177.842 176.034 1.808 18728 2127 1 3 . 1 1 22 22 SER CA C 22 57.635 57.635 56.563 1.072 18728 2128 1 3 . 1 1 22 22 SER CB C 22 63.106 63.106 65.034 -1.927 18728 2129 1 3 . 1 1 22 22 SER H H 22 9.136 9.136 7.890 1.246 18728 2130 1 3 . 1 1 23 23 PHE N N 23 128.194 128.194 122.814 5.380 18728 2131 1 3 . 1 1 23 23 PHE HA H 23 4.307 4.307 4.391 -0.084 18728 2132 1 3 . 1 1 23 23 PHE C C 23 175.626 175.626 175.337 0.289 18728 2133 1 3 . 1 1 23 23 PHE CA C 23 60.205 60.205 60.210 -0.005 18728 2134 1 3 . 1 1 23 23 PHE CB C 23 37.570 37.570 39.515 -1.945 18728 2135 1 3 . 1 1 23 23 PHE H H 23 9.034 9.034 9.026 0.008 18728 2136 1 3 . 1 1 24 24 GLU N N 24 116.093 116.093 116.320 -0.227 18728 2137 1 3 . 1 1 24 24 GLU HA H 24 4.255 4.255 4.265 -0.010 18728 2138 1 3 . 1 1 24 24 GLU C C 24 177.429 177.429 176.437 0.992 18728 2139 1 3 . 1 1 24 24 GLU CA C 24 56.522 56.522 55.533 0.989 18728 2140 1 3 . 1 1 24 24 GLU CB C 24 29.980 29.980 29.888 0.092 18728 2141 1 3 . 1 1 24 24 GLU H H 24 8.295 8.295 7.650 0.645 18728 2142 1 3 . 1 1 25 25 THR N N 25 118.836 118.836 118.694 0.142 18728 2143 1 3 . 1 1 25 25 THR HA H 25 4.091 4.091 4.518 -0.427 18728 2144 1 3 . 1 1 25 25 THR C C 25 174.238 174.238 174.072 0.166 18728 2145 1 3 . 1 1 25 25 THR CA C 25 64.862 64.862 63.360 1.502 18728 2146 1 3 . 1 1 25 25 THR CB C 25 68.584 68.584 69.305 -0.721 18728 2147 1 3 . 1 1 25 25 THR H H 25 7.280 7.280 7.269 0.011 18728 2148 1 3 . 1 1 26 26 THR N N 26 119.434 119.434 118.266 1.168 18728 2149 1 3 . 1 1 26 26 THR HA H 26 4.484 4.484 4.533 -0.049 18728 2150 1 3 . 1 1 26 26 THR C C 26 174.563 174.563 175.076 -0.513 18728 2151 1 3 . 1 1 26 26 THR CA C 26 59.361 59.361 59.678 -0.318 18728 2152 1 3 . 1 1 26 26 THR CB C 26 72.727 72.727 72.031 0.696 18728 2153 1 3 . 1 1 26 26 THR H H 26 8.447 8.447 7.975 0.472 18728 2154 1 3 . 1 1 27 27 ASP N N 27 120.342 120.342 122.048 -1.706 18728 2155 1 3 . 1 1 27 27 ASP HA H 27 3.920 3.920 4.225 -0.305 18728 2156 1 3 . 1 1 27 27 ASP C C 27 178.347 178.347 177.995 0.352 18728 2157 1 3 . 1 1 27 27 ASP CA C 27 58.148 58.148 58.060 0.088 18728 2158 1 3 . 1 1 27 27 ASP CB C 27 39.954 39.954 40.825 -0.871 18728 2159 1 3 . 1 1 27 27 ASP H H 27 8.794 8.794 8.801 -0.007 18728 2160 1 3 . 1 1 28 28 GLU N N 28 116.494 116.494 116.955 -0.461 18728 2161 1 3 . 1 1 28 28 GLU HA H 28 3.993 3.993 4.036 -0.043 18728 2162 1 3 . 1 1 28 28 GLU C C 28 178.987 178.987 178.740 0.247 18728 2163 1 3 . 1 1 28 28 GLU CA C 28 60.281 60.281 59.172 1.109 18728 2164 1 3 . 1 1 28 28 GLU CB C 28 29.193 29.193 29.177 0.016 18728 2165 1 3 . 1 1 28 28 GLU H H 28 8.444 8.444 8.751 -0.307 18728 2166 1 3 . 1 1 29 29 SER N N 29 120.532 120.532 116.760 3.772 18728 2167 1 3 . 1 1 29 29 SER HA H 29 4.333 4.333 4.346 -0.013 18728 2168 1 3 . 1 1 29 29 SER C C 29 178.125 178.125 176.556 1.569 18728 2169 1 3 . 1 1 29 29 SER CA C 29 61.720 61.720 61.435 0.285 18728 2170 1 3 . 1 1 29 29 SER H H 29 8.384 8.384 7.453 0.931 18728 2171 1 3 . 1 1 30 30 LEU N N 30 126.754 126.754 124.387 2.367 18728 2172 1 3 . 1 1 30 30 LEU HA H 30 4.080 4.080 4.164 -0.084 18728 2173 1 3 . 1 1 30 30 LEU C C 30 178.341 178.341 177.824 0.517 18728 2174 1 3 . 1 1 30 30 LEU CA C 30 58.073 58.073 58.014 0.059 18728 2175 1 3 . 1 1 30 30 LEU CB C 30 42.524 42.524 41.736 0.788 18728 2176 1 3 . 1 1 30 30 LEU H H 30 8.487 8.487 8.324 0.163 18728 2177 1 3 . 1 1 31 31 ARG N N 31 121.192 121.192 118.993 2.199 18728 2178 1 3 . 1 1 31 31 ARG HA H 31 3.863 3.863 3.873 -0.010 18728 2179 1 3 . 1 1 31 31 ARG C C 31 177.765 177.765 178.315 -0.550 18728 2180 1 3 . 1 1 31 31 ARG CA C 31 59.706 59.706 60.274 -0.568 18728 2181 1 3 . 1 1 31 31 ARG CB C 31 30.648 30.648 30.078 0.570 18728 2182 1 3 . 1 1 31 31 ARG H H 31 7.980 7.980 8.542 -0.562 18728 2183 1 3 . 1 1 32 32 SER N N 32 112.868 112.868 113.791 -0.923 18728 2184 1 3 . 1 1 32 32 SER HA H 32 4.104 4.104 4.179 -0.075 18728 2185 1 3 . 1 1 32 32 SER C C 32 176.416 176.416 176.491 -0.075 18728 2186 1 3 . 1 1 32 32 SER CA C 32 61.437 61.437 61.830 -0.393 18728 2187 1 3 . 1 1 32 32 SER CB C 32 62.933 62.933 62.677 0.256 18728 2188 1 3 . 1 1 32 32 SER H H 32 8.295 8.295 7.935 0.360 18728 2189 1 3 . 1 1 33 33 HIS N N 33 115.910 115.910 120.414 -4.504 18728 2190 1 3 . 1 1 33 33 HIS HA H 33 4.346 4.346 4.392 -0.046 18728 2191 1 3 . 1 1 33 33 HIS C C 33 177.510 177.510 178.231 -0.721 18728 2192 1 3 . 1 1 33 33 HIS CA C 33 60.373 60.373 59.716 0.657 18728 2193 1 3 . 1 1 33 33 HIS CB C 33 30.776 30.776 30.307 0.469 18728 2194 1 3 . 1 1 33 33 HIS H H 33 7.406 7.406 7.712 -0.306 18728 2195 1 3 . 1 1 34 34 PHE N N 34 113.562 113.562 119.129 -5.567 18728 2196 1 3 . 1 1 34 34 PHE HA H 34 4.526 4.526 4.878 -0.352 18728 2197 1 3 . 1 1 34 34 PHE C C 34 179.061 179.061 178.150 0.911 18728 2198 1 3 . 1 1 34 34 PHE CA C 34 64.104 64.104 61.751 2.353 18728 2199 1 3 . 1 1 34 34 PHE CB C 34 38.379 38.379 39.133 -0.754 18728 2200 1 3 . 1 1 34 34 PHE H H 34 8.227 8.227 8.407 -0.180 18728 2201 1 3 . 1 1 35 35 GLU N N 35 124.490 124.490 120.389 4.101 18728 2202 1 3 . 1 1 35 35 GLU HA H 35 4.962 4.962 4.410 0.552 18728 2203 1 3 . 1 1 35 35 GLU C C 35 176.476 176.476 177.660 -1.184 18728 2204 1 3 . 1 1 35 35 GLU CA C 35 57.950 57.950 58.332 -0.382 18728 2205 1 3 . 1 1 35 35 GLU CB C 35 28.690 28.690 29.253 -0.563 18728 2206 1 3 . 1 1 35 35 GLU H H 35 9.219 9.219 8.654 0.565 18728 2207 1 3 . 1 1 36 36 GLN N N 36 116.596 116.596 117.302 -0.706 18728 2208 1 3 . 1 1 36 36 GLN HA H 36 3.706 3.706 3.945 -0.239 18728 2209 1 3 . 1 1 36 36 GLN C C 36 176.486 176.486 177.314 -0.828 18728 2210 1 3 . 1 1 36 36 GLN CA C 36 58.206 58.206 57.642 0.564 18728 2211 1 3 . 1 1 36 36 GLN CB C 36 27.731 27.731 28.244 -0.513 18728 2212 1 3 . 1 1 36 36 GLN H H 36 7.011 7.011 7.570 -0.559 18728 2213 1 3 . 1 1 37 37 TRP N N 37 114.690 114.690 117.272 -2.582 18728 2214 1 3 . 1 1 37 37 TRP HA H 37 4.481 4.481 4.873 -0.392 18728 2215 1 3 . 1 1 37 37 TRP C C 37 173.662 173.662 176.387 -2.725 18728 2216 1 3 . 1 1 37 37 TRP CA C 37 61.557 61.557 58.476 3.081 18728 2217 1 3 . 1 1 37 37 TRP CB C 37 29.074 29.074 31.243 -2.169 18728 2218 1 3 . 1 1 37 37 TRP H H 37 7.017 7.017 7.912 -0.895 18728 2219 1 3 . 1 1 38 38 GLY N N 38 105.060 105.060 104.363 0.697 18728 2220 1 3 . 1 1 38 38 GLY C C 38 171.596 171.596 172.671 -1.075 18728 2221 1 3 . 1 1 38 38 GLY CA C 38 45.545 45.545 45.462 0.083 18728 2222 1 3 . 1 1 38 38 GLY H H 38 7.294 7.294 7.703 -0.409 18728 2223 1 3 . 1 1 39 39 THR N N 39 117.179 117.179 118.796 -1.617 18728 2224 1 3 . 1 1 39 39 THR HA H 39 4.231 4.231 4.359 -0.128 18728 2225 1 3 . 1 1 39 39 THR C C 39 173.760 173.760 174.078 -0.318 18728 2226 1 3 . 1 1 39 39 THR CA C 39 62.904 62.904 64.215 -1.311 18728 2227 1 3 . 1 1 39 39 THR CB C 39 69.813 69.813 69.171 0.642 18728 2228 1 3 . 1 1 39 39 THR H H 39 8.770 8.770 8.731 0.039 18728 2229 1 3 . 1 1 40 40 LEU N N 40 126.702 126.702 128.630 -1.928 18728 2230 1 3 . 1 1 40 40 LEU HA H 40 4.943 4.943 4.486 0.457 18728 2231 1 3 . 1 1 40 40 LEU C C 40 178.358 178.358 177.948 0.410 18728 2232 1 3 . 1 1 40 40 LEU CA C 40 52.969 52.969 54.346 -1.377 18728 2233 1 3 . 1 1 40 40 LEU CB C 40 41.893 41.893 42.368 -0.475 18728 2234 1 3 . 1 1 40 40 LEU H H 40 8.831 8.831 8.691 0.140 18728 2235 1 3 . 1 1 41 41 THR N N 41 117.175 117.175 114.848 2.327 18728 2236 1 3 . 1 1 41 41 THR HA H 41 4.197 4.197 4.322 -0.125 18728 2237 1 3 . 1 1 41 41 THR C C 41 175.050 175.050 174.866 0.184 18728 2238 1 3 . 1 1 41 41 THR CA C 41 62.668 62.668 62.819 -0.151 18728 2239 1 3 . 1 1 41 41 THR CB C 41 67.618 67.618 70.093 -2.475 18728 2240 1 3 . 1 1 41 41 THR H H 41 8.926 8.926 8.883 0.043 18728 2241 1 3 . 1 1 42 42 ASP N N 42 118.764 118.764 119.998 -1.234 18728 2242 1 3 . 1 1 42 42 ASP HA H 42 4.620 4.620 4.837 -0.217 18728 2243 1 3 . 1 1 42 42 ASP C C 42 174.637 174.637 173.790 0.847 18728 2244 1 3 . 1 1 42 42 ASP CA C 42 54.235 54.235 54.051 0.184 18728 2245 1 3 . 1 1 42 42 ASP CB C 42 44.253 44.253 44.135 0.118 18728 2246 1 3 . 1 1 42 42 ASP H H 42 7.513 7.513 7.804 -0.291 18728 2247 1 3 . 1 1 43 43 CYS N N 43 123.632 123.632 122.919 0.713 18728 2248 1 3 . 1 1 43 43 CYS HA H 43 4.842 4.842 5.253 -0.411 18728 2249 1 3 . 1 1 43 43 CYS C C 43 171.885 171.885 172.360 -0.475 18728 2250 1 3 . 1 1 43 43 CYS CA C 43 59.376 59.376 58.125 1.251 18728 2251 1 3 . 1 1 43 43 CYS CB C 43 26.377 26.377 30.905 -4.528 18728 2252 1 3 . 1 1 43 43 CYS H H 43 8.436 8.436 8.582 -0.146 18728 2253 1 3 . 1 1 44 44 VAL N N 44 126.787 126.787 126.177 0.610 18728 2254 1 3 . 1 1 44 44 VAL HA H 44 4.576 4.576 4.372 0.204 18728 2255 1 3 . 1 1 44 44 VAL C C 44 173.371 173.371 173.574 -0.203 18728 2256 1 3 . 1 1 44 44 VAL CA C 44 60.151 60.151 61.092 -0.941 18728 2257 1 3 . 1 1 44 44 VAL CB C 44 36.424 36.424 35.686 0.738 18728 2258 1 3 . 1 1 44 44 VAL H H 44 8.737 8.737 8.786 -0.049 18728 2259 1 3 . 1 1 45 45 VAL N N 45 125.522 125.522 128.096 -2.574 18728 2260 1 3 . 1 1 45 45 VAL HA H 45 3.711 3.711 4.006 -0.295 18728 2261 1 3 . 1 1 45 45 VAL C C 45 176.674 176.674 174.593 2.081 18728 2262 1 3 . 1 1 45 45 VAL CA C 45 62.509 62.509 62.128 0.381 18728 2263 1 3 . 1 1 45 45 VAL CB C 45 33.175 33.175 33.141 0.034 18728 2264 1 3 . 1 1 45 45 VAL H H 45 8.269 8.269 8.510 -0.241 18728 2265 1 3 . 1 1 46 46 MET N N 46 126.833 126.833 129.080 -2.247 18728 2266 1 3 . 1 1 46 46 MET HA H 46 4.441 4.441 4.330 0.111 18728 2267 1 3 . 1 1 46 46 MET C C 46 175.413 175.413 174.868 0.545 18728 2268 1 3 . 1 1 46 46 MET CA C 46 54.852 54.852 54.542 0.310 18728 2269 1 3 . 1 1 46 46 MET CB C 46 30.454 30.454 29.727 0.727 18728 2270 1 3 . 1 1 46 46 MET H H 46 8.445 8.445 8.198 0.247 18728 2271 1 3 . 1 1 47 47 ARG N N 47 120.697 120.697 123.087 -2.390 18728 2272 1 3 . 1 1 47 47 ARG HA H 47 4.838 4.838 4.845 -0.007 18728 2273 1 3 . 1 1 47 47 ARG CA C 47 54.308 54.308 54.153 0.155 18728 2274 1 3 . 1 1 47 47 ARG CB C 47 34.048 34.048 32.842 1.206 18728 2275 1 3 . 1 1 47 47 ARG H H 47 8.308 8.308 7.864 0.444 18728 2276 1 3 . 1 1 48 48 ASP N N 48 125.146 125.146 121.810 3.336 18728 2277 1 3 . 1 1 48 48 ASP HA H 48 4.686 4.686 4.890 -0.204 18728 2278 1 3 . 1 1 48 48 ASP C C 48 176.046 176.046 175.973 0.073 18728 2279 1 3 . 1 1 48 48 ASP CA C 48 52.106 52.106 51.515 0.591 18728 2280 1 3 . 1 1 48 48 ASP CB C 48 42.878 42.878 41.947 0.931 18728 2281 1 3 . 1 1 48 48 ASP H H 48 8.577 8.577 8.375 0.202 18728 2282 1 3 . 1 1 49 49 PRO HA H 49 4.310 4.310 4.332 -0.022 18728 2283 1 3 . 1 1 49 49 PRO C C 49 177.166 177.166 177.861 -0.695 18728 2284 1 3 . 1 1 49 49 PRO CA C 49 64.584 64.584 64.854 -0.270 18728 2285 1 3 . 1 1 49 49 PRO CB C 49 32.136 32.136 31.998 0.138 18728 2286 1 3 . 1 1 50 50 ASN N N 50 115.474 115.474 117.204 -1.730 18728 2287 1 3 . 1 1 50 50 ASN HA H 50 4.723 4.723 4.644 0.079 18728 2288 1 3 . 1 1 50 50 ASN C C 50 176.642 176.642 176.933 -0.291 18728 2289 1 3 . 1 1 50 50 ASN CA C 50 55.444 55.444 56.017 -0.573 18728 2290 1 3 . 1 1 50 50 ASN CB C 50 39.455 39.455 39.097 0.358 18728 2291 1 3 . 1 1 50 50 ASN H H 50 8.560 8.560 8.067 0.493 18728 2292 1 3 . 1 1 51 51 THR N N 51 108.788 108.788 113.801 -5.013 18728 2293 1 3 . 1 1 51 51 THR HA H 51 4.264 4.264 4.419 -0.155 18728 2294 1 3 . 1 1 51 51 THR C C 51 176.018 176.018 174.410 1.608 18728 2295 1 3 . 1 1 51 51 THR CA C 51 62.063 62.063 62.370 -0.307 18728 2296 1 3 . 1 1 51 51 THR CB C 51 70.768 70.768 69.629 1.139 18728 2297 1 3 . 1 1 51 51 THR H H 51 8.277 8.277 8.823 -0.546 18728 2298 1 3 . 1 1 52 52 LYS N N 52 114.615 114.615 116.964 -2.349 18728 2299 1 3 . 1 1 52 52 LYS HA H 52 3.917 3.917 4.029 -0.112 18728 2300 1 3 . 1 1 52 52 LYS C C 52 175.376 175.376 175.054 0.322 18728 2301 1 3 . 1 1 52 52 LYS CA C 52 57.902 57.902 57.005 0.897 18728 2302 1 3 . 1 1 52 52 LYS CB C 52 29.293 29.293 29.607 -0.314 18728 2303 1 3 . 1 1 52 52 LYS H H 52 8.091 8.091 8.116 -0.025 18728 2304 1 3 . 1 1 53 53 ARG N N 53 120.395 120.395 115.953 4.442 18728 2305 1 3 . 1 1 53 53 ARG HA H 53 4.169 4.169 4.429 -0.260 18728 2306 1 3 . 1 1 53 53 ARG C C 53 176.619 176.619 175.593 1.026 18728 2307 1 3 . 1 1 53 53 ARG CA C 53 56.233 56.233 53.076 3.157 18728 2308 1 3 . 1 1 53 53 ARG CB C 53 31.045 31.045 31.801 -0.756 18728 2309 1 3 . 1 1 53 53 ARG H H 53 7.847 7.847 7.424 0.423 18728 2310 1 3 . 1 1 54 54 SER N N 54 116.987 116.987 116.056 0.931 18728 2311 1 3 . 1 1 54 54 SER HA H 54 4.186 4.186 4.204 -0.018 18728 2312 1 3 . 1 1 54 54 SER C C 54 175.755 175.755 175.288 0.467 18728 2313 1 3 . 1 1 54 54 SER CA C 54 58.559 58.559 58.412 0.147 18728 2314 1 3 . 1 1 54 54 SER CB C 54 63.922 63.922 63.373 0.549 18728 2315 1 3 . 1 1 54 54 SER H H 54 8.810 8.810 8.610 0.200 18728 2316 1 3 . 1 1 55 55 ARG N N 55 123.427 123.427 126.876 -3.449 18728 2317 1 3 . 1 1 55 55 ARG HA H 55 4.403 4.403 4.387 0.016 18728 2318 1 3 . 1 1 55 55 ARG C C 55 177.962 177.962 177.089 0.873 18728 2319 1 3 . 1 1 55 55 ARG CA C 55 56.096 56.096 56.186 -0.090 18728 2320 1 3 . 1 1 55 55 ARG CB C 55 31.294 31.294 30.588 0.706 18728 2321 1 3 . 1 1 55 55 ARG H H 55 8.976 8.976 8.516 0.460 18728 2322 1 3 . 1 1 56 56 GLY N N 56 107.308 107.308 108.307 -0.999 18728 2323 1 3 . 1 1 56 56 GLY C C 56 171.856 171.856 173.741 -1.885 18728 2324 1 3 . 1 1 56 56 GLY CA C 56 45.669 45.669 45.352 0.317 18728 2325 1 3 . 1 1 56 56 GLY H H 56 9.375 9.375 7.905 1.470 18728 2326 1 3 . 1 1 57 57 PHE N N 57 112.537 112.537 115.137 -2.600 18728 2327 1 3 . 1 1 57 57 PHE HA H 57 5.201 5.201 5.413 -0.212 18728 2328 1 3 . 1 1 57 57 PHE C C 57 172.646 172.646 173.073 -0.427 18728 2329 1 3 . 1 1 57 57 PHE CA C 57 54.918 54.918 55.438 -0.520 18728 2330 1 3 . 1 1 57 57 PHE CB C 57 41.743 41.743 40.857 0.886 18728 2331 1 3 . 1 1 57 57 PHE H H 57 7.044 7.044 7.092 -0.048 18728 2332 1 3 . 1 1 58 58 GLY N N 58 106.816 106.816 106.373 0.443 18728 2333 1 3 . 1 1 58 58 GLY C C 58 169.931 169.931 171.173 -1.242 18728 2334 1 3 . 1 1 58 58 GLY CA C 58 45.304 45.304 44.463 0.841 18728 2335 1 3 . 1 1 58 58 GLY H H 58 8.345 8.345 8.433 -0.088 18728 2336 1 3 . 1 1 59 59 PHE N N 59 115.179 115.179 115.522 -0.343 18728 2337 1 3 . 1 1 59 59 PHE HA H 59 5.645 5.645 5.562 0.083 18728 2338 1 3 . 1 1 59 59 PHE C C 59 174.929 174.929 174.242 0.687 18728 2339 1 3 . 1 1 59 59 PHE CA C 59 56.541 56.541 56.351 0.190 18728 2340 1 3 . 1 1 59 59 PHE CB C 59 43.984 43.984 43.866 0.118 18728 2341 1 3 . 1 1 59 59 PHE H H 59 8.903 8.903 8.610 0.293 18728 2342 1 3 . 1 1 60 60 VAL N N 60 115.310 115.310 116.932 -1.622 18728 2343 1 3 . 1 1 60 60 VAL HA H 60 4.540 4.540 4.780 -0.240 18728 2344 1 3 . 1 1 60 60 VAL C C 60 173.246 173.246 175.130 -1.884 18728 2345 1 3 . 1 1 60 60 VAL CA C 60 59.421 59.421 60.681 -1.260 18728 2346 1 3 . 1 1 60 60 VAL CB C 60 34.678 34.678 33.303 1.375 18728 2347 1 3 . 1 1 60 60 VAL H H 60 8.569 8.569 8.865 -0.296 18728 2348 1 3 . 1 1 61 61 THR N N 61 120.158 120.158 123.810 -3.652 18728 2349 1 3 . 1 1 61 61 THR HA H 61 5.068 5.068 4.916 0.152 18728 2350 1 3 . 1 1 61 61 THR C C 61 173.985 173.985 174.063 -0.078 18728 2351 1 3 . 1 1 61 61 THR CA C 61 61.033 61.033 62.069 -1.036 18728 2352 1 3 . 1 1 61 61 THR CB C 61 70.114 70.114 69.972 0.142 18728 2353 1 3 . 1 1 61 61 THR H H 61 8.180 8.180 8.913 -0.733 18728 2354 1 3 . 1 1 62 62 TYR N N 62 125.280 125.280 126.419 -1.139 18728 2355 1 3 . 1 1 62 62 TYR HA H 62 5.357 5.357 4.841 0.516 18728 2356 1 3 . 1 1 62 62 TYR C C 62 176.696 176.696 176.839 -0.143 18728 2357 1 3 . 1 1 62 62 TYR CA C 62 58.297 58.297 58.858 -0.561 18728 2358 1 3 . 1 1 62 62 TYR CB C 62 42.217 42.217 40.215 2.002 18728 2359 1 3 . 1 1 62 62 TYR H H 62 8.407 8.407 9.197 -0.789 18728 2360 1 3 . 1 1 63 63 ALA N N 63 121.648 121.648 123.401 -1.753 18728 2361 1 3 . 1 1 63 63 ALA HA H 63 4.052 4.052 4.464 -0.412 18728 2362 1 3 . 1 1 63 63 ALA C C 63 178.252 178.252 177.349 0.903 18728 2363 1 3 . 1 1 63 63 ALA CA C 63 55.269 55.269 54.185 1.084 18728 2364 1 3 . 1 1 63 63 ALA CB C 63 19.068 19.068 19.629 -0.561 18728 2365 1 3 . 1 1 63 63 ALA H H 63 8.749 8.749 9.004 -0.255 18728 2366 1 3 . 1 1 64 64 THR N N 64 105.238 105.238 113.147 -7.909 18728 2367 1 3 . 1 1 64 64 THR HA H 64 4.902 4.902 4.648 0.254 18728 2368 1 3 . 1 1 64 64 THR C C 64 174.667 174.667 174.565 0.102 18728 2369 1 3 . 1 1 64 64 THR CA C 64 59.184 59.184 61.214 -2.030 18728 2370 1 3 . 1 1 64 64 THR CB C 64 73.193 73.193 71.558 1.635 18728 2371 1 3 . 1 1 64 64 THR H H 64 7.992 7.992 8.219 -0.227 18728 2372 1 3 . 1 1 65 65 VAL N N 65 120.939 120.939 123.442 -2.503 18728 2373 1 3 . 1 1 65 65 VAL HA H 65 3.670 3.670 3.802 -0.132 18728 2374 1 3 . 1 1 65 65 VAL C C 65 177.446 177.446 176.715 0.731 18728 2375 1 3 . 1 1 65 65 VAL CA C 65 65.535 65.535 64.842 0.693 18728 2376 1 3 . 1 1 65 65 VAL CB C 65 31.538 31.538 31.896 -0.358 18728 2377 1 3 . 1 1 65 65 VAL H H 65 8.968 8.968 8.985 -0.017 18728 2378 1 3 . 1 1 66 66 GLU N N 66 120.818 120.818 119.053 1.765 18728 2379 1 3 . 1 1 66 66 GLU HA H 66 4.045 4.045 4.027 0.018 18728 2380 1 3 . 1 1 66 66 GLU C C 66 180.056 180.056 178.864 1.192 18728 2381 1 3 . 1 1 66 66 GLU CA C 66 60.430 60.430 59.994 0.436 18728 2382 1 3 . 1 1 66 66 GLU CB C 66 28.909 28.909 28.529 0.381 18728 2383 1 3 . 1 1 66 66 GLU H H 66 8.686 8.686 8.711 -0.025 18728 2384 1 3 . 1 1 67 67 GLU N N 67 120.729 120.729 119.163 1.566 18728 2385 1 3 . 1 1 67 67 GLU HA H 67 3.853 3.853 4.050 -0.197 18728 2386 1 3 . 1 1 67 67 GLU C C 67 177.040 177.040 178.507 -1.467 18728 2387 1 3 . 1 1 67 67 GLU CA C 67 59.391 59.391 58.881 0.510 18728 2388 1 3 . 1 1 67 67 GLU CB C 67 29.590 29.590 29.326 0.264 18728 2389 1 3 . 1 1 67 67 GLU H H 67 7.487 7.487 7.572 -0.085 18728 2390 1 3 . 1 1 68 68 VAL N N 68 118.408 118.408 119.541 -1.133 18728 2391 1 3 . 1 1 68 68 VAL HA H 68 3.165 3.165 3.147 0.018 18728 2392 1 3 . 1 1 68 68 VAL C C 68 178.293 178.293 177.347 0.946 18728 2393 1 3 . 1 1 68 68 VAL CA C 68 66.391 66.391 66.210 0.180 18728 2394 1 3 . 1 1 68 68 VAL CB C 68 31.092 31.092 31.040 0.052 18728 2395 1 3 . 1 1 68 68 VAL H H 68 6.882 6.882 7.110 -0.228 18728 2396 1 3 . 1 1 69 69 ASP N N 69 119.356 119.356 120.282 -0.926 18728 2397 1 3 . 1 1 69 69 ASP HA H 69 4.128 4.128 4.225 -0.097 18728 2398 1 3 . 1 1 69 69 ASP C C 69 178.765 178.765 178.328 0.437 18728 2399 1 3 . 1 1 69 69 ASP CA C 69 57.394 57.394 57.747 -0.353 18728 2400 1 3 . 1 1 69 69 ASP CB C 69 39.879 39.879 40.923 -1.044 18728 2401 1 3 . 1 1 69 69 ASP H H 69 8.109 8.109 7.877 0.232 18728 2402 1 3 . 1 1 70 70 ALA N N 70 123.031 123.031 121.174 1.857 18728 2403 1 3 . 1 1 70 70 ALA HA H 70 4.070 4.070 4.083 -0.013 18728 2404 1 3 . 1 1 70 70 ALA C C 70 180.518 180.518 179.428 1.090 18728 2405 1 3 . 1 1 70 70 ALA CA C 70 55.209 55.209 54.904 0.305 18728 2406 1 3 . 1 1 70 70 ALA CB C 70 18.104 18.104 18.354 -0.250 18728 2407 1 3 . 1 1 70 70 ALA H H 70 7.736 7.736 8.209 -0.473 18728 2408 1 3 . 1 1 71 71 ALA N N 71 121.446 121.446 120.814 0.632 18728 2409 1 3 . 1 1 71 71 ALA HA H 71 3.034 3.034 3.842 -0.808 18728 2410 1 3 . 1 1 71 71 ALA C C 71 182.248 182.248 179.514 2.734 18728 2411 1 3 . 1 1 71 71 ALA CA C 71 55.251 55.251 54.617 0.634 18728 2412 1 3 . 1 1 71 71 ALA CB C 71 17.976 17.976 18.431 -0.455 18728 2413 1 3 . 1 1 71 71 ALA H H 71 8.101 8.101 7.372 0.729 18728 2414 1 3 . 1 1 72 72 MET N N 72 118.027 118.027 116.948 1.079 18728 2415 1 3 . 1 1 72 72 MET HA H 72 4.430 4.430 4.203 0.227 18728 2416 1 3 . 1 1 72 72 MET C C 72 179.409 179.409 177.927 1.482 18728 2417 1 3 . 1 1 72 72 MET CA C 72 56.379 56.379 58.312 -1.933 18728 2418 1 3 . 1 1 72 72 MET CB C 72 30.498 30.498 32.140 -1.642 18728 2419 1 3 . 1 1 72 72 MET H H 72 8.681 8.681 8.324 0.357 18728 2420 1 3 . 1 1 73 73 ASN N N 73 119.415 119.415 117.008 2.407 18728 2421 1 3 . 1 1 73 73 ASN HA H 73 4.627 4.627 4.628 -0.001 18728 2422 1 3 . 1 1 73 73 ASN C C 73 175.014 175.014 176.657 -1.643 18728 2423 1 3 . 1 1 73 73 ASN CA C 73 54.323 54.323 54.793 -0.470 18728 2424 1 3 . 1 1 73 73 ASN CB C 73 38.468 38.468 38.002 0.466 18728 2425 1 3 . 1 1 73 73 ASN H H 73 8.096 8.096 8.102 -0.006 18728 2426 1 3 . 1 1 74 74 ALA N N 74 122.253 122.253 121.653 0.600 18728 2427 1 3 . 1 1 74 74 ALA HA H 74 4.299 4.299 4.173 0.126 18728 2428 1 3 . 1 1 74 74 ALA C C 74 175.305 175.305 177.064 -1.759 18728 2429 1 3 . 1 1 74 74 ALA CA C 74 51.273 51.273 51.731 -0.459 18728 2430 1 3 . 1 1 74 74 ALA CB C 74 18.922 18.922 18.624 0.298 18728 2431 1 3 . 1 1 74 74 ALA H H 74 6.966 6.966 7.385 -0.419 18728 2432 1 3 . 1 1 75 75 ARG N N 75 116.833 116.833 120.122 -3.289 18728 2433 1 3 . 1 1 75 75 ARG HA H 75 3.608 3.608 4.197 -0.589 18728 2434 1 3 . 1 1 75 75 ARG CA C 75 55.086 55.086 54.959 0.127 18728 2435 1 3 . 1 1 75 75 ARG CB C 75 30.199 30.199 29.856 0.343 18728 2436 1 3 . 1 1 75 75 ARG H H 75 6.749 6.749 7.144 -0.395 18728 2437 1 3 . 1 1 76 76 PRO HA H 76 4.434 4.434 4.579 -0.145 18728 2438 1 3 . 1 1 76 76 PRO C C 76 175.590 175.590 175.558 0.032 18728 2439 1 3 . 1 1 76 76 PRO CA C 76 61.614 61.614 62.761 -1.147 18728 2440 1 3 . 1 1 76 76 PRO CB C 76 34.982 34.982 33.471 1.511 18728 2441 1 3 . 1 1 77 77 HIS N N 77 122.039 122.039 118.007 4.032 18728 2442 1 3 . 1 1 77 77 HIS HA H 77 4.559 4.559 4.900 -0.341 18728 2443 1 3 . 1 1 77 77 HIS C C 77 173.137 173.137 174.316 -1.179 18728 2444 1 3 . 1 1 77 77 HIS CA C 77 56.231 56.231 55.632 0.599 18728 2445 1 3 . 1 1 77 77 HIS CB C 77 32.909 32.909 34.068 -1.159 18728 2446 1 3 . 1 1 77 77 HIS H H 77 9.384 9.384 8.382 1.002 18728 2447 1 3 . 1 1 78 78 LYS N N 78 125.607 125.607 123.334 2.273 18728 2448 1 3 . 1 1 78 78 LYS HA H 78 4.939 4.939 5.149 -0.210 18728 2449 1 3 . 1 1 78 78 LYS C C 78 174.858 174.858 174.707 0.151 18728 2450 1 3 . 1 1 78 78 LYS CA C 78 54.755 54.755 55.580 -0.825 18728 2451 1 3 . 1 1 78 78 LYS CB C 78 33.475 33.475 34.148 -0.673 18728 2452 1 3 . 1 1 78 78 LYS H H 78 8.485 8.485 8.649 -0.164 18728 2453 1 3 . 1 1 79 79 VAL N N 79 124.596 124.596 126.262 -1.666 18728 2454 1 3 . 1 1 79 79 VAL HA H 79 3.955 3.955 3.655 0.300 18728 2455 1 3 . 1 1 79 79 VAL C C 79 176.295 176.295 175.643 0.652 18728 2456 1 3 . 1 1 79 79 VAL CA C 79 60.737 60.737 61.074 -0.337 18728 2457 1 3 . 1 1 79 79 VAL CB C 79 33.249 33.249 33.165 0.084 18728 2458 1 3 . 1 1 79 79 VAL H H 79 8.581 8.581 8.310 0.271 18728 2459 1 3 . 1 1 80 80 ASP N N 80 128.668 128.668 126.414 2.254 18728 2460 1 3 . 1 1 80 80 ASP HA H 80 4.228 4.228 4.285 -0.057 18728 2461 1 3 . 1 1 80 80 ASP C C 80 175.744 175.744 176.338 -0.594 18728 2462 1 3 . 1 1 80 80 ASP CA C 80 55.882 55.882 55.191 0.691 18728 2463 1 3 . 1 1 80 80 ASP CB C 80 39.692 39.692 39.375 0.317 18728 2464 1 3 . 1 1 80 80 ASP H H 80 9.553 9.553 9.180 0.373 18728 2465 1 3 . 1 1 81 81 GLY N N 81 101.527 101.527 103.375 -1.848 18728 2466 1 3 . 1 1 81 81 GLY C C 81 173.560 173.560 173.505 0.055 18728 2467 1 3 . 1 1 81 81 GLY CA C 81 45.445 45.445 45.466 -0.021 18728 2468 1 3 . 1 1 81 81 GLY H H 81 8.488 8.488 8.547 -0.059 18728 2469 1 3 . 1 1 82 82 ARG N N 82 120.493 120.493 120.032 0.461 18728 2470 1 3 . 1 1 82 82 ARG HA H 82 4.640 4.640 4.654 -0.014 18728 2471 1 3 . 1 1 82 82 ARG C C 82 174.512 174.512 174.737 -0.225 18728 2472 1 3 . 1 1 82 82 ARG CA C 82 53.161 53.161 54.535 -1.374 18728 2473 1 3 . 1 1 82 82 ARG CB C 82 32.507 32.507 33.095 -0.588 18728 2474 1 3 . 1 1 82 82 ARG H H 82 7.555 7.555 7.455 0.100 18728 2475 1 3 . 1 1 83 83 VAL N N 83 124.855 124.855 126.862 -2.007 18728 2476 1 3 . 1 1 83 83 VAL HA H 83 4.501 4.501 4.406 0.095 18728 2477 1 3 . 1 1 83 83 VAL C C 83 176.701 176.701 175.719 0.982 18728 2478 1 3 . 1 1 83 83 VAL CA C 83 63.290 63.290 63.070 0.220 18728 2479 1 3 . 1 1 83 83 VAL CB C 83 30.867 30.867 31.642 -0.775 18728 2480 1 3 . 1 1 83 83 VAL H H 83 8.633 8.633 8.636 -0.003 18728 2481 1 3 . 1 1 84 84 VAL N N 84 122.944 122.944 122.935 0.009 18728 2482 1 3 . 1 1 84 84 VAL HA H 84 4.667 4.667 4.959 -0.292 18728 2483 1 3 . 1 1 84 84 VAL C C 84 174.969 174.969 174.802 0.167 18728 2484 1 3 . 1 1 84 84 VAL CA C 84 59.499 59.499 59.437 0.062 18728 2485 1 3 . 1 1 84 84 VAL CB C 84 32.761 32.761 34.784 -2.023 18728 2486 1 3 . 1 1 84 84 VAL H H 84 8.391 8.391 8.424 -0.033 18728 2487 1 3 . 1 1 85 85 GLU N N 85 120.907 120.907 123.339 -2.432 18728 2488 1 3 . 1 1 85 85 GLU HA H 85 5.087 5.087 4.966 0.121 18728 2489 1 3 . 1 1 85 85 GLU CA C 85 52.949 52.949 52.424 0.525 18728 2490 1 3 . 1 1 85 85 GLU CB C 85 31.367 31.367 30.725 0.642 18728 2491 1 3 . 1 1 85 85 GLU H H 85 8.681 8.681 8.991 -0.310 18728 2492 1 3 . 1 1 86 86 PRO HA H 86 5.383 5.383 5.396 -0.013 18728 2493 1 3 . 1 1 86 86 PRO C C 86 175.908 175.908 176.130 -0.222 18728 2494 1 3 . 1 1 86 86 PRO CA C 86 61.444 61.444 62.165 -0.721 18728 2495 1 3 . 1 1 86 86 PRO CB C 86 32.657 32.657 33.026 -0.369 18728 2496 1 3 . 1 1 87 87 LYS N N 87 121.252 121.252 118.940 2.312 18728 2497 1 3 . 1 1 87 87 LYS HA H 87 4.688 4.688 4.965 -0.277 18728 2498 1 3 . 1 1 87 87 LYS C C 87 175.676 175.676 176.187 -0.511 18728 2499 1 3 . 1 1 87 87 LYS CA C 87 55.101 55.101 53.595 1.506 18728 2500 1 3 . 1 1 87 87 LYS CB C 87 36.608 36.608 36.704 -0.096 18728 2501 1 3 . 1 1 87 87 LYS H H 87 9.397 9.397 8.730 0.667 18728 2502 1 3 . 1 1 88 88 ARG N N 88 123.272 123.272 122.100 1.172 18728 2503 1 3 . 1 1 88 88 ARG HA H 88 4.375 4.375 4.485 -0.110 18728 2504 1 3 . 1 1 88 88 ARG C C 88 177.011 177.011 176.475 0.536 18728 2505 1 3 . 1 1 88 88 ARG CA C 88 57.209 57.209 55.822 1.387 18728 2506 1 3 . 1 1 88 88 ARG CB C 88 30.452 30.452 30.778 -0.326 18728 2507 1 3 . 1 1 88 88 ARG H H 88 8.940 8.940 8.948 -0.009 18728 2508 1 3 . 1 1 89 89 ALA N N 89 126.260 126.260 131.268 -5.008 18728 2509 1 3 . 1 1 89 89 ALA HA H 89 4.259 4.259 4.378 -0.119 18728 2510 1 3 . 1 1 89 89 ALA C C 89 177.452 177.452 177.039 0.413 18728 2511 1 3 . 1 1 89 89 ALA CA C 89 53.712 53.712 52.712 1.000 18728 2512 1 3 . 1 1 89 89 ALA CB C 89 18.824 18.824 18.569 0.255 18728 2513 1 3 . 1 1 89 89 ALA H H 89 8.424 8.424 8.476 -0.052 18728 2514 1 3 . 1 1 90 90 VAL N N 90 115.835 115.835 123.753 -7.918 18728 2515 1 3 . 1 1 90 90 VAL HA H 90 4.182 4.182 3.904 0.278 18728 2516 1 3 . 1 1 90 90 VAL C C 90 175.397 175.397 176.790 -1.393 18728 2517 1 3 . 1 1 90 90 VAL CA C 90 61.516 61.516 63.090 -1.573 18728 2518 1 3 . 1 1 90 90 VAL CB C 90 33.448 33.448 31.644 1.804 18728 2519 1 3 . 1 1 90 90 VAL H H 90 7.892 7.892 7.479 0.413 18728 2520 1 3 . 1 1 91 91 SER N N 91 119.224 119.224 120.577 -1.353 18728 2521 1 3 . 1 1 91 91 SER HA H 91 4.420 4.420 4.356 0.064 18728 2522 1 3 . 1 1 91 91 SER CA C 91 57.888 57.888 59.907 -2.019 18728 2523 1 3 . 1 1 91 91 SER CB C 91 63.788 63.788 63.842 -0.054 18728 2524 1 3 . 1 1 91 91 SER H H 91 8.327 8.327 8.537 -0.210 18728 2525 1 3 . 1 1 92 92 ARG HA H 92 4.231 4.231 4.060 0.171 18728 2526 1 3 . 1 1 92 92 ARG C C 92 176.651 176.651 177.661 -1.010 18728 2527 1 3 . 1 1 92 92 ARG CA C 92 56.671 56.671 58.521 -1.850 18728 2528 1 3 . 1 1 92 92 ARG CB C 92 30.776 30.776 29.761 1.016 18728 2529 1 3 . 1 1 92 92 ARG H H 92 8.425 8.425 8.754 -0.329 18728 2530 1 3 . 1 1 93 93 GLU N N 93 121.483 121.483 116.176 5.307 18728 2531 1 3 . 1 1 93 93 GLU HA H 93 4.181 4.181 4.255 -0.074 18728 2532 1 3 . 1 1 93 93 GLU C C 93 176.605 176.605 177.267 -0.662 18728 2533 1 3 . 1 1 93 93 GLU CA C 93 57.185 57.185 58.153 -0.968 18728 2534 1 3 . 1 1 93 93 GLU CB C 93 30.015 30.015 29.212 0.803 18728 2535 1 3 . 1 1 93 93 GLU H H 93 8.503 8.503 8.234 0.269 18728 2536 1 3 . 1 1 94 94 ASP N N 94 121.305 121.305 119.692 1.613 18728 2537 1 3 . 1 1 94 94 ASP HA H 94 4.540 4.540 4.631 -0.091 18728 2538 1 3 . 1 1 94 94 ASP C C 94 176.744 176.744 177.864 -1.120 18728 2539 1 3 . 1 1 94 94 ASP CA C 94 54.678 54.678 56.282 -1.604 18728 2540 1 3 . 1 1 94 94 ASP CB C 94 41.183 41.183 41.343 -0.160 18728 2541 1 3 . 1 1 94 94 ASP H H 94 8.229 8.229 7.728 0.501 18728 2542 1 3 . 1 1 95 95 SER N N 95 115.787 115.787 114.340 1.447 18728 2543 1 3 . 1 1 95 95 SER HA H 95 4.286 4.286 4.294 -0.008 18728 2544 1 3 . 1 1 95 95 SER C C 95 174.602 174.602 174.489 0.113 18728 2545 1 3 . 1 1 95 95 SER CA C 95 58.957 58.957 60.215 -1.258 18728 2546 1 3 . 1 1 95 95 SER CB C 95 64.524 64.524 63.268 1.256 18728 2547 1 3 . 1 1 95 95 SER H H 95 8.109 8.109 8.055 0.054 18728 2548 1 3 . 1 1 96 96 GLN N N 96 120.796 120.796 119.002 1.794 18728 2549 1 3 . 1 1 96 96 GLN HA H 96 4.297 4.297 4.190 0.107 18728 2550 1 3 . 1 1 96 96 GLN C C 96 175.742 175.742 175.818 -0.076 18728 2551 1 3 . 1 1 96 96 GLN CA C 96 55.721 55.721 56.846 -1.125 18728 2552 1 3 . 1 1 96 96 GLN CB C 96 29.313 29.313 29.095 0.218 18728 2553 1 3 . 1 1 96 96 GLN H H 96 8.161 8.161 7.446 0.715 18728 2554 1 3 . 1 1 97 97 ARG N N 97 122.462 122.462 119.734 2.728 18728 2555 1 3 . 1 1 97 97 ARG HA H 97 4.552 4.552 4.804 -0.252 18728 2556 1 3 . 1 1 97 97 ARG CA C 97 54.096 54.096 52.089 2.007 18728 2557 1 3 . 1 1 97 97 ARG CB C 97 30.115 30.115 29.450 0.665 18728 2558 1 3 . 1 1 97 97 ARG H H 97 8.029 8.029 7.586 0.443 18728 2559 1 3 . 1 1 98 98 PRO HA H 98 4.362 4.362 4.417 -0.055 18728 2560 1 3 . 1 1 98 98 PRO C C 98 177.715 177.715 177.823 -0.108 18728 2561 1 3 . 1 1 98 98 PRO CA C 98 63.592 63.592 63.360 0.232 18728 2562 1 3 . 1 1 98 98 PRO CB C 98 31.955 31.955 31.972 -0.017 18728 2563 1 3 . 1 1 99 99 GLY N N 99 109.572 109.572 111.538 -1.966 18728 2564 1 3 . 1 1 99 99 GLY C C 99 174.356 174.356 175.207 -0.851 18728 2565 1 3 . 1 1 99 99 GLY CA C 99 45.395 45.395 44.854 0.541 18728 2566 1 3 . 1 1 99 99 GLY H H 99 8.516 8.516 8.585 -0.069 18728 2567 1 3 . 1 1 100 100 ALA N N 100 123.418 123.418 123.804 -0.386 18728 2568 1 3 . 1 1 100 100 ALA HA H 100 4.141 4.141 4.048 0.093 18728 2569 1 3 . 1 1 100 100 ALA CA C 100 53.160 53.160 53.927 -0.767 18728 2570 1 3 . 1 1 100 100 ALA CB C 100 19.185 19.185 19.086 0.099 18728 2571 1 3 . 1 1 100 100 ALA H H 100 8.015 8.015 7.483 0.532 18728 2572 1 3 . 1 1 101 101 HIS HA H 101 4.502 4.502 4.544 -0.042 18728 2573 1 3 . 1 1 101 101 HIS C C 101 175.102 175.102 174.386 0.716 18728 2574 1 3 . 1 1 101 101 HIS CA C 101 56.309 56.309 55.423 0.886 18728 2575 1 3 . 1 1 101 101 HIS CB C 101 30.450 30.450 28.245 2.205 18728 2576 1 3 . 1 1 102 102 LEU N N 102 122.495 122.495 118.283 4.212 18728 2577 1 3 . 1 1 102 102 LEU HA H 102 4.263 4.263 4.498 -0.235 18728 2578 1 3 . 1 1 102 102 LEU C C 102 177.020 177.020 176.705 0.315 18728 2579 1 3 . 1 1 102 102 LEU CA C 102 54.934 54.934 53.103 1.831 18728 2580 1 3 . 1 1 102 102 LEU CB C 102 42.414 42.414 44.258 -1.844 18728 2581 1 3 . 1 1 102 102 LEU H H 102 7.774 7.774 7.084 0.690 18728 2582 1 3 . 1 1 103 103 THR N N 103 115.720 115.720 118.247 -2.527 18728 2583 1 3 . 1 1 103 103 THR HA H 103 4.220 4.220 4.026 0.194 18728 2584 1 3 . 1 1 103 103 THR C C 103 174.185 174.185 173.836 0.349 18728 2585 1 3 . 1 1 103 103 THR CA C 103 60.917 60.917 62.945 -2.028 18728 2586 1 3 . 1 1 103 103 THR CB C 103 69.340 69.340 67.087 2.253 18728 2587 1 3 . 1 1 103 103 THR H H 103 8.001 8.001 8.514 -0.513 18728 2588 1 3 . 1 1 104 104 VAL N N 104 122.004 122.004 125.762 -3.758 18728 2589 1 3 . 1 1 104 104 VAL HA H 104 4.330 4.330 4.328 0.002 18728 2590 1 3 . 1 1 104 104 VAL C C 104 175.294 175.294 175.587 -0.293 18728 2591 1 3 . 1 1 104 104 VAL CA C 104 61.877 61.877 61.463 0.414 18728 2592 1 3 . 1 1 104 104 VAL CB C 104 34.220 34.220 32.445 1.775 18728 2593 1 3 . 1 1 104 104 VAL H H 104 8.191 8.191 8.021 0.170 18728 2594 1 3 . 1 1 105 105 LYS N N 105 121.406 121.406 125.502 -4.096 18728 2595 1 3 . 1 1 105 105 LYS HA H 105 4.498 4.498 4.561 -0.063 18728 2596 1 3 . 1 1 105 105 LYS C C 105 173.482 173.482 175.189 -1.707 18728 2597 1 3 . 1 1 105 105 LYS CA C 105 56.433 56.433 55.731 0.702 18728 2598 1 3 . 1 1 105 105 LYS CB C 105 33.245 33.245 33.115 0.130 18728 2599 1 3 . 1 1 105 105 LYS H H 105 8.672 8.672 8.841 -0.169 18728 2600 1 3 . 1 1 106 106 LYS N N 106 121.756 121.756 119.760 1.996 18728 2601 1 3 . 1 1 106 106 LYS HA H 106 5.623 5.623 5.467 0.156 18728 2602 1 3 . 1 1 106 106 LYS C C 106 175.153 175.153 175.554 -0.401 18728 2603 1 3 . 1 1 106 106 LYS CA C 106 54.537 54.537 54.914 -0.377 18728 2604 1 3 . 1 1 106 106 LYS CB C 106 37.407 37.407 35.587 1.819 18728 2605 1 3 . 1 1 106 106 LYS H H 106 7.134 7.134 7.490 -0.356 18728 2606 1 3 . 1 1 107 107 ILE N N 107 115.982 115.982 118.552 -2.570 18728 2607 1 3 . 1 1 107 107 ILE HA H 107 5.110 5.110 5.124 -0.014 18728 2608 1 3 . 1 1 107 107 ILE C C 107 174.525 174.525 173.997 0.528 18728 2609 1 3 . 1 1 107 107 ILE CA C 107 59.009 59.009 59.177 -0.168 18728 2610 1 3 . 1 1 107 107 ILE CB C 107 40.552 40.552 41.612 -1.060 18728 2611 1 3 . 1 1 107 107 ILE H H 107 8.948 8.948 8.750 0.198 18728 2612 1 3 . 1 1 108 108 PHE N N 108 124.182 124.182 124.080 0.102 18728 2613 1 3 . 1 1 108 108 PHE HA H 108 4.696 4.696 4.725 -0.029 18728 2614 1 3 . 1 1 108 108 PHE C C 108 173.422 173.422 173.477 -0.055 18728 2615 1 3 . 1 1 108 108 PHE CA C 108 56.567 56.567 56.003 0.564 18728 2616 1 3 . 1 1 108 108 PHE CB C 108 41.596 41.596 41.765 -0.169 18728 2617 1 3 . 1 1 108 108 PHE H H 108 9.103 9.103 9.019 0.084 18728 2618 1 3 . 1 1 109 109 VAL N N 109 126.956 126.956 126.193 0.763 18728 2619 1 3 . 1 1 109 109 VAL HA H 109 4.497 4.497 4.779 -0.282 18728 2620 1 3 . 1 1 109 109 VAL C C 109 174.097 174.097 174.002 0.095 18728 2621 1 3 . 1 1 109 109 VAL CA C 109 60.493 60.493 60.239 0.254 18728 2622 1 3 . 1 1 109 109 VAL CB C 109 33.266 33.266 33.175 0.091 18728 2623 1 3 . 1 1 109 109 VAL H H 109 8.338 8.338 8.163 0.175 18728 2624 1 3 . 1 1 110 110 GLY N N 110 113.617 113.617 113.061 0.556 18728 2625 1 3 . 1 1 110 110 GLY C C 110 174.325 174.325 173.166 1.159 18728 2626 1 3 . 1 1 110 110 GLY CA C 110 44.011 44.011 43.417 0.594 18728 2627 1 3 . 1 1 110 110 GLY H H 110 9.173 9.173 8.635 0.538 18728 2628 1 3 . 1 1 111 111 GLY N N 111 106.411 106.411 108.451 -2.040 18728 2629 1 3 . 1 1 111 111 GLY CA C 111 46.359 46.359 44.953 1.406 18728 2630 1 3 . 1 1 111 111 GLY H H 111 8.221 8.221 8.083 0.138 18728 2631 1 3 . 1 1 116 116 THR HA H 116 4.322 4.322 4.666 -0.344 18728 2632 1 3 . 1 1 116 116 THR C C 116 173.380 173.380 173.730 -0.350 18728 2633 1 3 . 1 1 116 116 THR CA C 116 63.000 63.000 61.873 1.127 18728 2634 1 3 . 1 1 117 117 GLU N N 117 130.298 130.298 124.811 5.487 18728 2635 1 3 . 1 1 117 117 GLU HA H 117 4.632 4.632 4.664 -0.032 18728 2636 1 3 . 1 1 117 117 GLU C C 117 177.632 177.632 176.621 1.011 18728 2637 1 3 . 1 1 117 117 GLU CA C 117 53.853 53.853 54.343 -0.490 18728 2638 1 3 . 1 1 117 117 GLU CB C 117 32.977 32.977 31.956 1.021 18728 2639 1 3 . 1 1 117 117 GLU H H 117 11.190 11.190 9.120 2.070 18728 2640 1 3 . 1 1 118 118 GLU N N 118 122.126 122.126 123.041 -0.915 18728 2641 1 3 . 1 1 118 118 GLU HA H 118 3.627 3.627 3.933 -0.306 18728 2642 1 3 . 1 1 118 118 GLU C C 118 179.294 179.294 177.658 1.636 18728 2643 1 3 . 1 1 118 118 GLU CA C 118 61.689 61.689 61.028 0.661 18728 2644 1 3 . 1 1 118 118 GLU CB C 118 29.075 29.075 29.761 -0.686 18728 2645 1 3 . 1 1 118 118 GLU H H 118 9.339 9.339 8.911 0.428 18728 2646 1 3 . 1 1 119 119 HIS N N 119 113.514 113.514 118.345 -4.831 18728 2647 1 3 . 1 1 119 119 HIS HA H 119 4.265 4.265 4.211 0.054 18728 2648 1 3 . 1 1 119 119 HIS C C 119 176.566 176.566 177.885 -1.319 18728 2649 1 3 . 1 1 119 119 HIS CA C 119 58.917 58.917 59.779 -0.862 18728 2650 1 3 . 1 1 119 119 HIS CB C 119 28.187 28.187 29.480 -1.293 18728 2651 1 3 . 1 1 119 119 HIS H H 119 8.240 8.240 8.641 -0.401 18728 2652 1 3 . 1 1 120 120 HIS N N 120 118.629 118.629 117.385 1.244 18728 2653 1 3 . 1 1 120 120 HIS HA H 120 4.332 4.332 4.166 0.166 18728 2654 1 3 . 1 1 120 120 HIS C C 120 179.713 179.713 177.480 2.233 18728 2655 1 3 . 1 1 120 120 HIS CA C 120 60.310 60.310 59.412 0.898 18728 2656 1 3 . 1 1 120 120 HIS CB C 120 32.233 32.233 29.997 2.236 18728 2657 1 3 . 1 1 120 120 HIS H H 120 6.474 6.474 7.414 -0.940 18728 2658 1 3 . 1 1 121 121 LEU N N 121 117.249 117.249 115.543 1.706 18728 2659 1 3 . 1 1 121 121 LEU HA H 121 4.179 4.179 4.402 -0.223 18728 2660 1 3 . 1 1 121 121 LEU C C 121 178.020 178.020 178.370 -0.350 18728 2661 1 3 . 1 1 121 121 LEU CA C 121 57.924 57.924 57.775 0.149 18728 2662 1 3 . 1 1 121 121 LEU CB C 121 42.577 42.577 41.161 1.416 18728 2663 1 3 . 1 1 121 121 LEU H H 121 7.132 7.132 7.613 -0.481 18728 2664 1 3 . 1 1 122 122 ARG N N 122 121.766 121.766 121.555 0.211 18728 2665 1 3 . 1 1 122 122 ARG HA H 122 3.741 3.741 4.025 -0.284 18728 2666 1 3 . 1 1 122 122 ARG C C 122 177.023 177.023 177.990 -0.967 18728 2667 1 3 . 1 1 122 122 ARG CA C 122 60.508 60.508 59.936 0.572 18728 2668 1 3 . 1 1 122 122 ARG CB C 122 30.256 30.256 29.819 0.437 18728 2669 1 3 . 1 1 122 122 ARG H H 122 8.759 8.759 8.872 -0.113 18728 2670 1 3 . 1 1 123 123 ASP N N 123 116.299 116.299 117.554 -1.255 18728 2671 1 3 . 1 1 123 123 ASP HA H 123 4.294 4.294 4.360 -0.066 18728 2672 1 3 . 1 1 123 123 ASP C C 123 178.057 178.057 177.866 0.191 18728 2673 1 3 . 1 1 123 123 ASP CA C 123 57.076 57.076 56.794 0.282 18728 2674 1 3 . 1 1 123 123 ASP CB C 123 40.572 40.572 40.542 0.030 18728 2675 1 3 . 1 1 123 123 ASP H H 123 8.423 8.423 7.960 0.463 18728 2676 1 3 . 1 1 124 124 TYR N N 124 115.172 115.172 119.536 -4.364 18728 2677 1 3 . 1 1 124 124 TYR HA H 124 4.338 4.338 4.220 0.118 18728 2678 1 3 . 1 1 124 124 TYR C C 124 177.688 177.688 177.654 0.034 18728 2679 1 3 . 1 1 124 124 TYR CA C 124 61.660 61.660 61.151 0.509 18728 2680 1 3 . 1 1 124 124 TYR CB C 124 39.847 39.847 38.951 0.896 18728 2681 1 3 . 1 1 124 124 TYR H H 124 7.212 7.212 7.368 -0.156 18728 2682 1 3 . 1 1 125 125 PHE N N 125 113.932 113.932 117.739 -3.807 18728 2683 1 3 . 1 1 125 125 PHE HA H 125 4.515 4.515 4.221 0.294 18728 2684 1 3 . 1 1 125 125 PHE C C 125 178.209 178.209 177.951 0.258 18728 2685 1 3 . 1 1 125 125 PHE CA C 125 63.404 63.404 61.322 2.082 18728 2686 1 3 . 1 1 125 125 PHE CB C 125 38.614 38.614 38.487 0.127 18728 2687 1 3 . 1 1 125 125 PHE H H 125 8.802 8.802 8.859 -0.057 18728 2688 1 3 . 1 1 126 126 GLU N N 126 120.515 120.515 118.640 1.875 18728 2689 1 3 . 1 1 126 126 GLU HA H 126 4.884 4.884 4.378 0.506 18728 2690 1 3 . 1 1 126 126 GLU C C 126 177.936 177.936 177.555 0.381 18728 2691 1 3 . 1 1 126 126 GLU CA C 126 58.560 58.560 58.675 -0.115 18728 2692 1 3 . 1 1 126 126 GLU CB C 126 28.516 28.516 29.209 -0.693 18728 2693 1 3 . 1 1 126 126 GLU H H 126 8.869 8.869 8.260 0.609 18728 2694 1 3 . 1 1 127 127 GLN N N 127 115.855 115.855 116.098 -0.243 18728 2695 1 3 . 1 1 127 127 GLN HA H 127 4.055 4.055 4.001 0.054 18728 2696 1 3 . 1 1 127 127 GLN C C 127 176.656 176.656 178.210 -1.554 18728 2697 1 3 . 1 1 127 127 GLN CA C 127 57.566 57.566 57.759 -0.193 18728 2698 1 3 . 1 1 127 127 GLN CB C 127 29.047 29.047 28.737 0.310 18728 2699 1 3 . 1 1 127 127 GLN H H 127 7.105 7.105 7.628 -0.523 18728 2700 1 3 . 1 1 128 128 TYR N N 128 116.626 116.626 117.374 -0.748 18728 2701 1 3 . 1 1 128 128 TYR HA H 128 4.328 4.328 4.322 0.006 18728 2702 1 3 . 1 1 128 128 TYR C C 128 175.596 175.596 175.866 -0.270 18728 2703 1 3 . 1 1 128 128 TYR CA C 128 59.492 59.492 59.477 0.015 18728 2704 1 3 . 1 1 128 128 TYR CB C 128 39.539 39.539 39.659 -0.120 18728 2705 1 3 . 1 1 128 128 TYR H H 128 7.950 7.950 7.730 0.220 18728 2706 1 3 . 1 1 129 129 GLY N N 129 107.386 107.386 103.310 4.076 18728 2707 1 3 . 1 1 129 129 GLY C C 129 170.407 170.407 172.111 -1.704 18728 2708 1 3 . 1 1 129 129 GLY CA C 129 44.819 44.819 45.096 -0.277 18728 2709 1 3 . 1 1 129 129 GLY H H 129 7.492 7.492 7.665 -0.173 18728 2710 1 3 . 1 1 130 130 LYS N N 130 117.786 117.786 121.881 -4.095 18728 2711 1 3 . 1 1 130 130 LYS HA H 130 4.315 4.315 4.867 -0.552 18728 2712 1 3 . 1 1 130 130 LYS C C 130 177.097 177.097 175.980 1.117 18728 2713 1 3 . 1 1 130 130 LYS CA C 130 56.938 56.938 56.253 0.685 18728 2714 1 3 . 1 1 130 130 LYS CB C 130 33.199 33.199 33.393 -0.194 18728 2715 1 3 . 1 1 130 130 LYS H H 130 8.135 8.135 8.629 -0.494 18728 2716 1 3 . 1 1 131 131 ILE N N 131 127.829 127.829 128.145 -0.316 18728 2717 1 3 . 1 1 131 131 ILE HA H 131 3.681 3.681 3.815 -0.134 18728 2718 1 3 . 1 1 131 131 ILE C C 131 175.841 175.841 175.192 0.649 18728 2719 1 3 . 1 1 131 131 ILE CA C 131 61.625 61.625 61.344 0.281 18728 2720 1 3 . 1 1 131 131 ILE CB C 131 40.441 40.441 38.651 1.790 18728 2721 1 3 . 1 1 131 131 ILE H H 131 8.917 8.917 8.936 -0.019 18728 2722 1 3 . 1 1 132 132 GLU N N 132 128.437 128.437 125.853 2.584 18728 2723 1 3 . 1 1 132 132 GLU HA H 132 4.320 4.320 4.346 -0.026 18728 2724 1 3 . 1 1 132 132 GLU C C 132 176.192 176.192 176.544 -0.352 18728 2725 1 3 . 1 1 132 132 GLU CA C 132 57.816 57.816 57.971 -0.155 18728 2726 1 3 . 1 1 132 132 GLU CB C 132 31.670 31.670 31.153 0.517 18728 2727 1 3 . 1 1 132 132 GLU H H 132 9.136 9.136 8.394 0.742 18728 2728 1 3 . 1 1 133 133 VAL N N 133 115.096 115.096 116.791 -1.695 18728 2729 1 3 . 1 1 133 133 VAL HA H 133 4.316 4.316 4.270 0.046 18728 2730 1 3 . 1 1 133 133 VAL C C 133 172.860 172.860 173.556 -0.696 18728 2731 1 3 . 1 1 133 133 VAL CA C 133 61.258 61.258 61.169 0.089 18728 2732 1 3 . 1 1 133 133 VAL CB C 133 35.526 35.526 35.841 -0.315 18728 2733 1 3 . 1 1 133 133 VAL H H 133 7.272 7.272 7.363 -0.091 18728 2734 1 3 . 1 1 134 134 ILE N N 134 126.870 126.870 125.278 1.592 18728 2735 1 3 . 1 1 134 134 ILE HA H 134 4.464 4.464 4.370 0.094 18728 2736 1 3 . 1 1 134 134 ILE C C 134 174.004 174.004 175.109 -1.105 18728 2737 1 3 . 1 1 134 134 ILE CA C 134 60.904 60.904 60.254 0.650 18728 2738 1 3 . 1 1 134 134 ILE CB C 134 40.408 40.408 39.772 0.637 18728 2739 1 3 . 1 1 134 134 ILE H H 134 8.566 8.566 8.469 0.097 18728 2740 1 3 . 1 1 135 135 GLU N N 135 128.037 128.037 127.830 0.207 18728 2741 1 3 . 1 1 135 135 GLU HA H 135 4.642 4.642 4.685 -0.043 18728 2742 1 3 . 1 1 135 135 GLU C C 135 174.883 174.883 175.069 -0.186 18728 2743 1 3 . 1 1 135 135 GLU CA C 135 54.640 54.640 55.315 -0.675 18728 2744 1 3 . 1 1 135 135 GLU CB C 135 33.259 33.259 31.627 1.632 18728 2745 1 3 . 1 1 135 135 GLU H H 135 9.019 9.019 8.723 0.296 18728 2746 1 3 . 1 1 136 136 ILE N N 136 126.668 126.668 124.425 2.243 18728 2747 1 3 . 1 1 136 136 ILE HA H 136 3.898 3.898 4.325 -0.427 18728 2748 1 3 . 1 1 136 136 ILE C C 136 176.157 176.157 174.722 1.435 18728 2749 1 3 . 1 1 136 136 ILE CA C 136 61.336 61.336 59.475 1.861 18728 2750 1 3 . 1 1 136 136 ILE CB C 136 37.397 37.397 38.672 -1.275 18728 2751 1 3 . 1 1 136 136 ILE H H 136 8.967 8.967 8.646 0.321 18728 2752 1 3 . 1 1 137 137 MET N N 137 126.115 126.115 127.233 -1.118 18728 2753 1 3 . 1 1 137 137 MET HA H 137 4.679 4.679 4.704 -0.025 18728 2754 1 3 . 1 1 137 137 MET C C 137 176.723 176.723 175.569 1.154 18728 2755 1 3 . 1 1 137 137 MET CA C 137 55.163 55.163 53.219 1.944 18728 2756 1 3 . 1 1 137 137 MET CB C 137 30.841 30.841 31.704 -0.863 18728 2757 1 3 . 1 1 137 137 MET H H 137 7.656 7.656 8.119 -0.463 18728 2758 1 3 . 1 1 138 138 THR N N 138 116.735 116.735 114.306 2.429 18728 2759 1 3 . 1 1 138 138 THR HA H 138 4.746 4.746 4.532 0.214 18728 2760 1 3 . 1 1 138 138 THR C C 138 173.642 173.642 174.034 -0.392 18728 2761 1 3 . 1 1 138 138 THR CA C 138 60.385 60.385 60.499 -0.115 18728 2762 1 3 . 1 1 138 138 THR CB C 138 72.028 72.028 70.266 1.762 18728 2763 1 3 . 1 1 138 138 THR H H 138 8.551 8.551 8.435 0.116 18728 2764 1 3 . 1 1 139 139 ASP N N 139 123.899 123.899 121.505 2.394 18728 2765 1 3 . 1 1 139 139 ASP HA H 139 4.677 4.677 4.791 -0.114 18728 2766 1 3 . 1 1 139 139 ASP CA C 139 53.728 53.728 53.537 0.191 18728 2767 1 3 . 1 1 139 139 ASP CB C 139 42.270 42.270 43.028 -0.758 18728 2768 1 3 . 1 1 139 139 ASP H H 139 8.818 8.818 8.611 0.207 18728 2769 1 3 . 1 1 140 140 ARG HA H 140 4.037 4.037 4.287 -0.250 18728 2770 1 3 . 1 1 140 140 ARG C C 140 177.886 177.886 176.937 0.949 18728 2771 1 3 . 1 1 140 140 ARG CB C 140 29.886 29.886 29.859 0.027 18728 2772 1 3 . 1 1 141 141 GLY N N 141 107.951 107.951 108.668 -0.717 18728 2773 1 3 . 1 1 141 141 GLY C C 141 174.861 174.861 175.822 -0.961 18728 2774 1 3 . 1 1 141 141 GLY CA C 141 46.490 46.490 45.762 0.728 18728 2775 1 3 . 1 1 141 141 GLY H H 141 8.635 8.635 8.535 0.100 18728 2776 1 3 . 1 1 142 142 SER N N 142 114.044 114.044 116.701 -2.657 18728 2777 1 3 . 1 1 142 142 SER HA H 142 4.533 4.533 4.504 0.029 18728 2778 1 3 . 1 1 142 142 SER C C 142 176.080 176.080 175.628 0.452 18728 2779 1 3 . 1 1 142 142 SER CA C 142 58.429 58.429 58.755 -0.326 18728 2780 1 3 . 1 1 142 142 SER CB C 142 65.439 65.439 64.037 1.402 18728 2781 1 3 . 1 1 142 142 SER H H 142 8.034 8.034 8.926 -0.892 18728 2782 1 3 . 1 1 143 143 GLY N N 143 112.348 112.348 108.556 3.792 18728 2783 1 3 . 1 1 143 143 GLY C C 143 173.949 173.949 173.734 0.215 18728 2784 1 3 . 1 1 143 143 GLY CA C 143 45.703 45.703 45.757 -0.054 18728 2785 1 3 . 1 1 143 143 GLY H H 143 8.363 8.363 7.848 0.515 18728 2786 1 3 . 1 1 144 144 LYS N N 144 119.966 119.966 118.963 1.003 18728 2787 1 3 . 1 1 144 144 LYS HA H 144 4.273 4.273 4.487 -0.214 18728 2788 1 3 . 1 1 144 144 LYS C C 144 176.969 176.969 175.422 1.547 18728 2789 1 3 . 1 1 144 144 LYS CA C 144 56.145 56.145 53.830 2.315 18728 2790 1 3 . 1 1 144 144 LYS CB C 144 33.378 33.378 34.078 -0.700 18728 2791 1 3 . 1 1 144 144 LYS H H 144 7.786 7.786 7.546 0.240 18728 2792 1 3 . 1 1 145 145 LYS N N 145 123.668 123.668 121.129 2.539 18728 2793 1 3 . 1 1 145 145 LYS HA H 145 4.187 4.187 4.421 -0.234 18728 2794 1 3 . 1 1 145 145 LYS C C 145 177.498 177.498 175.085 2.413 18728 2795 1 3 . 1 1 145 145 LYS CA C 145 57.392 57.392 56.202 1.190 18728 2796 1 3 . 1 1 145 145 LYS CB C 145 32.577 32.577 32.159 0.418 18728 2797 1 3 . 1 1 145 145 LYS H H 145 8.968 8.968 9.001 -0.033 18728 2798 1 3 . 1 1 146 146 ARG N N 146 119.700 119.700 123.563 -3.863 18728 2799 1 3 . 1 1 146 146 ARG HA H 146 4.294 4.294 4.469 -0.175 18728 2800 1 3 . 1 1 146 146 ARG CA C 146 56.365 56.365 55.634 0.731 18728 2801 1 3 . 1 1 146 146 ARG CB C 146 30.786 30.786 33.772 -2.986 18728 2802 1 3 . 1 1 146 146 ARG H H 146 8.095 8.095 7.824 0.271 18728 2803 1 3 . 1 1 147 147 GLY N N 147 110.572 110.572 113.849 -3.277 18728 2804 1 3 . 1 1 147 147 GLY C C 147 173.384 173.384 172.566 0.818 18728 2805 1 3 . 1 1 147 147 GLY CA C 147 45.440 45.440 45.675 -0.235 18728 2806 1 3 . 1 1 147 147 GLY H H 147 8.401 8.401 8.673 -0.272 18728 2807 1 3 . 1 1 148 148 PHE N N 148 114.199 114.199 116.273 -2.074 18728 2808 1 3 . 1 1 148 148 PHE HA H 148 5.194 5.194 5.228 -0.034 18728 2809 1 3 . 1 1 148 148 PHE C C 148 172.409 172.409 172.661 -0.252 18728 2810 1 3 . 1 1 148 148 PHE CA C 148 55.282 55.282 55.557 -0.275 18728 2811 1 3 . 1 1 148 148 PHE CB C 148 41.869 41.869 40.342 1.527 18728 2812 1 3 . 1 1 148 148 PHE H H 148 7.255 7.255 7.120 0.135 18728 2813 1 3 . 1 1 149 149 ALA N N 149 121.427 121.427 120.014 1.413 18728 2814 1 3 . 1 1 149 149 ALA HA H 149 4.966 4.966 5.011 -0.045 18728 2815 1 3 . 1 1 149 149 ALA C C 149 174.084 174.084 174.416 -0.332 18728 2816 1 3 . 1 1 149 149 ALA CA C 149 49.755 49.755 50.851 -1.096 18728 2817 1 3 . 1 1 149 149 ALA CB C 149 25.094 25.094 22.524 2.570 18728 2818 1 3 . 1 1 149 149 ALA H H 149 8.786 8.786 8.682 0.104 18728 2819 1 3 . 1 1 150 150 PHE N N 150 114.425 114.425 116.108 -1.683 18728 2820 1 3 . 1 1 150 150 PHE HA H 150 5.874 5.874 5.429 0.445 18728 2821 1 3 . 1 1 150 150 PHE C C 150 176.196 176.196 174.363 1.833 18728 2822 1 3 . 1 1 150 150 PHE CA C 150 56.070 56.070 57.179 -1.109 18728 2823 1 3 . 1 1 150 150 PHE CB C 150 43.251 43.251 44.426 -1.175 18728 2824 1 3 . 1 1 150 150 PHE H H 150 8.689 8.689 8.888 -0.199 18728 2825 1 3 . 1 1 151 151 VAL N N 151 122.489 122.489 121.635 0.854 18728 2826 1 3 . 1 1 151 151 VAL HA H 151 4.375 4.375 4.363 0.012 18728 2827 1 3 . 1 1 151 151 VAL C C 151 173.932 173.932 174.629 -0.697 18728 2828 1 3 . 1 1 151 151 VAL CA C 151 61.454 61.454 61.285 0.168 18728 2829 1 3 . 1 1 151 151 VAL CB C 151 33.869 33.869 35.014 -1.145 18728 2830 1 3 . 1 1 151 151 VAL H H 151 8.559 8.559 8.910 -0.351 18728 2831 1 3 . 1 1 152 152 THR N N 152 123.112 123.112 123.087 0.025 18728 2832 1 3 . 1 1 152 152 THR HA H 152 4.995 4.995 4.990 0.005 18728 2833 1 3 . 1 1 152 152 THR C C 152 174.047 174.047 173.877 0.170 18728 2834 1 3 . 1 1 152 152 THR CA C 152 61.931 61.931 62.626 -0.695 18728 2835 1 3 . 1 1 152 152 THR CB C 152 69.689 69.689 69.746 -0.057 18728 2836 1 3 . 1 1 152 152 THR H H 152 8.723 8.723 8.594 0.129 18728 2837 1 3 . 1 1 153 153 PHE N N 153 127.746 127.746 126.565 1.181 18728 2838 1 3 . 1 1 153 153 PHE HA H 153 4.840 4.840 4.800 0.040 18728 2839 1 3 . 1 1 153 153 PHE C C 153 174.720 174.720 175.691 -0.971 18728 2840 1 3 . 1 1 153 153 PHE CA C 153 58.098 58.098 57.698 0.400 18728 2841 1 3 . 1 1 153 153 PHE CB C 153 41.706 41.706 41.952 -0.246 18728 2842 1 3 . 1 1 153 153 PHE H H 153 9.368 9.368 9.209 0.159 18728 2843 1 3 . 1 1 154 154 ASP N N 154 118.371 118.371 120.276 -1.905 18728 2844 1 3 . 1 1 154 154 ASP HA H 154 4.486 4.486 4.792 -0.306 18728 2845 1 3 . 1 1 154 154 ASP C C 154 175.668 175.668 175.442 0.226 18728 2846 1 3 . 1 1 154 154 ASP CA C 154 56.114 56.114 56.358 -0.244 18728 2847 1 3 . 1 1 154 154 ASP CB C 154 42.576 42.576 42.598 -0.022 18728 2848 1 3 . 1 1 154 154 ASP H H 154 8.196 8.196 8.990 -0.794 18728 2849 1 3 . 1 1 155 155 ASP N N 155 117.144 117.144 118.376 -1.232 18728 2850 1 3 . 1 1 155 155 ASP HA H 155 4.909 4.909 4.943 -0.034 18728 2851 1 3 . 1 1 155 155 ASP C C 155 176.392 176.392 175.486 0.906 18728 2852 1 3 . 1 1 155 155 ASP CA C 155 52.615 52.615 52.803 -0.188 18728 2853 1 3 . 1 1 155 155 ASP CB C 155 44.471 44.471 44.062 0.409 18728 2854 1 3 . 1 1 155 155 ASP H H 155 8.323 8.323 7.715 0.608 18728 2855 1 3 . 1 1 156 156 HIS N N 156 121.508 121.508 120.418 1.090 18728 2856 1 3 . 1 1 156 156 HIS HA H 156 4.336 4.336 4.575 -0.239 18728 2857 1 3 . 1 1 156 156 HIS C C 156 176.855 176.855 176.127 0.728 18728 2858 1 3 . 1 1 156 156 HIS CA C 156 58.593 58.593 57.569 1.024 18728 2859 1 3 . 1 1 156 156 HIS CB C 156 29.703 29.703 29.941 -0.238 18728 2860 1 3 . 1 1 156 156 HIS H H 156 8.492 8.492 8.497 -0.005 18728 2861 1 3 . 1 1 157 157 ASP N N 157 122.539 122.539 119.765 2.774 18728 2862 1 3 . 1 1 157 157 ASP HA H 157 4.254 4.254 4.208 0.046 18728 2863 1 3 . 1 1 157 157 ASP C C 157 178.233 178.233 178.099 0.134 18728 2864 1 3 . 1 1 157 157 ASP CA C 157 57.047 57.047 57.351 -0.304 18728 2865 1 3 . 1 1 157 157 ASP CB C 157 40.875 40.875 40.516 0.359 18728 2866 1 3 . 1 1 157 157 ASP H H 157 8.345 8.345 7.919 0.426 18728 2867 1 3 . 1 1 158 158 SER N N 158 113.623 113.623 113.858 -0.235 18728 2868 1 3 . 1 1 158 158 SER HA H 158 3.899 3.899 4.136 -0.237 18728 2869 1 3 . 1 1 158 158 SER C C 158 174.750 174.750 175.896 -1.146 18728 2870 1 3 . 1 1 158 158 SER CA C 158 61.914 61.914 61.099 0.815 18728 2871 1 3 . 1 1 158 158 SER CB C 158 63.088 63.088 62.407 0.681 18728 2872 1 3 . 1 1 158 158 SER H H 158 7.424 7.424 7.880 -0.456 18728 2873 1 3 . 1 1 159 159 VAL N N 159 118.448 118.448 122.177 -3.729 18728 2874 1 3 . 1 1 159 159 VAL HA H 159 2.913 2.913 3.313 -0.400 18728 2875 1 3 . 1 1 159 159 VAL C C 159 177.269 177.269 177.202 0.067 18728 2876 1 3 . 1 1 159 159 VAL CA C 159 66.512 66.512 65.915 0.597 18728 2877 1 3 . 1 1 159 159 VAL CB C 159 31.395 31.395 31.737 -0.342 18728 2878 1 3 . 1 1 159 159 VAL H H 159 6.484 6.484 6.877 -0.393 18728 2879 1 3 . 1 1 160 160 ASP N N 160 119.064 119.064 119.308 -0.244 18728 2880 1 3 . 1 1 160 160 ASP HA H 160 4.275 4.275 4.381 -0.106 18728 2881 1 3 . 1 1 160 160 ASP C C 160 178.284 178.284 178.295 -0.011 18728 2882 1 3 . 1 1 160 160 ASP CA C 160 57.798 57.798 57.032 0.766 18728 2883 1 3 . 1 1 160 160 ASP CB C 160 40.288 40.288 40.871 -0.583 18728 2884 1 3 . 1 1 160 160 ASP H H 160 7.663 7.663 8.015 -0.352 18728 2885 1 3 . 1 1 161 161 LYS N N 161 116.568 116.568 118.877 -2.309 18728 2886 1 3 . 1 1 161 161 LYS HA H 161 4.030 4.030 4.049 -0.019 18728 2887 1 3 . 1 1 161 161 LYS C C 161 178.205 178.205 178.256 -0.051 18728 2888 1 3 . 1 1 161 161 LYS CA C 161 58.796 58.796 59.336 -0.540 18728 2889 1 3 . 1 1 161 161 LYS CB C 161 33.298 33.298 32.682 0.616 18728 2890 1 3 . 1 1 161 161 LYS H H 161 7.465 7.465 7.679 -0.214 18728 2891 1 3 . 1 1 162 162 ILE N N 162 119.457 119.457 117.041 2.416 18728 2892 1 3 . 1 1 162 162 ILE HA H 162 3.241 3.241 3.724 -0.483 18728 2893 1 3 . 1 1 162 162 ILE C C 162 179.129 179.129 177.917 1.212 18728 2894 1 3 . 1 1 162 162 ILE CA C 162 65.201 65.201 64.421 0.780 18728 2895 1 3 . 1 1 162 162 ILE CB C 162 39.170 39.170 38.024 1.146 18728 2896 1 3 . 1 1 162 162 ILE H H 162 7.367 7.367 7.022 0.345 18728 2897 1 3 . 1 1 163 163 VAL N N 163 109.705 109.705 116.438 -6.733 18728 2898 1 3 . 1 1 163 163 VAL HA H 163 4.093 4.093 4.014 0.079 18728 2899 1 3 . 1 1 163 163 VAL C C 163 176.685 176.685 176.537 0.148 18728 2900 1 3 . 1 1 163 163 VAL CA C 163 64.137 64.137 64.185 -0.048 18728 2901 1 3 . 1 1 163 163 VAL CB C 163 30.720 30.720 30.792 -0.072 18728 2902 1 3 . 1 1 163 163 VAL H H 163 7.814 7.814 7.778 0.036 18728 2903 1 3 . 1 1 164 164 ILE N N 164 118.885 118.885 118.630 0.255 18728 2904 1 3 . 1 1 164 164 ILE HA H 164 3.968 3.968 3.878 0.090 18728 2905 1 3 . 1 1 164 164 ILE C C 164 176.006 176.006 176.529 -0.523 18728 2906 1 3 . 1 1 164 164 ILE CA C 164 63.328 63.328 63.779 -0.451 18728 2907 1 3 . 1 1 164 164 ILE CB C 164 38.136 38.136 38.329 -0.193 18728 2908 1 3 . 1 1 164 164 ILE H H 164 6.979 6.979 7.276 -0.297 18728 2909 1 3 . 1 1 165 165 GLN N N 165 120.509 120.509 117.610 2.899 18728 2910 1 3 . 1 1 165 165 GLN HA H 165 4.472 4.472 4.453 0.019 18728 2911 1 3 . 1 1 165 165 GLN C C 165 174.808 174.808 175.123 -0.315 18728 2912 1 3 . 1 1 165 165 GLN CA C 165 54.743 54.743 54.434 0.309 18728 2913 1 3 . 1 1 165 165 GLN CB C 165 30.183 30.183 28.766 1.417 18728 2914 1 3 . 1 1 165 165 GLN H H 165 7.490 7.490 7.847 -0.357 18728 2915 1 3 . 1 1 166 166 LYS N N 166 122.953 122.953 123.888 -0.935 18728 2916 1 3 . 1 1 166 166 LYS HA H 166 3.992 3.992 4.108 -0.116 18728 2917 1 3 . 1 1 166 166 LYS C C 166 175.496 175.496 175.788 -0.292 18728 2918 1 3 . 1 1 166 166 LYS CA C 166 59.718 59.718 59.175 0.543 18728 2919 1 3 . 1 1 166 166 LYS CB C 166 33.115 33.115 33.115 -0.000 18728 2920 1 3 . 1 1 166 166 LYS H H 166 8.085 8.085 8.728 -0.643 18728 2921 1 3 . 1 1 167 167 TYR N N 167 114.210 114.210 114.468 -0.258 18728 2922 1 3 . 1 1 167 167 TYR HA H 167 5.457 5.457 5.305 0.152 18728 2923 1 3 . 1 1 167 167 TYR C C 167 175.593 175.593 175.746 -0.153 18728 2924 1 3 . 1 1 167 167 TYR CA C 167 56.417 56.417 57.118 -0.701 18728 2925 1 3 . 1 1 167 167 TYR CB C 167 40.057 40.057 41.110 -1.053 18728 2926 1 3 . 1 1 167 167 TYR H H 167 7.740 7.740 7.681 0.059 18728 2927 1 3 . 1 1 168 168 HIS N N 168 122.617 122.617 121.706 0.911 18728 2928 1 3 . 1 1 168 168 HIS HA H 168 4.526 4.526 5.009 -0.483 18728 2929 1 3 . 1 1 168 168 HIS C C 168 174.213 174.213 174.416 -0.203 18728 2930 1 3 . 1 1 168 168 HIS CA C 168 55.233 55.233 54.883 0.351 18728 2931 1 3 . 1 1 168 168 HIS CB C 168 34.906 34.906 34.159 0.747 18728 2932 1 3 . 1 1 168 168 HIS H H 168 9.035 9.035 9.330 -0.295 18728 2933 1 3 . 1 1 169 169 THR N N 169 121.981 121.981 119.392 2.589 18728 2934 1 3 . 1 1 169 169 THR HA H 169 4.722 4.722 5.179 -0.457 18728 2935 1 3 . 1 1 169 169 THR C C 169 172.973 172.973 173.310 -0.337 18728 2936 1 3 . 1 1 169 169 THR CA C 169 61.620 61.620 61.885 -0.265 18728 2937 1 3 . 1 1 169 169 THR CB C 169 68.692 68.692 69.331 -0.639 18728 2938 1 3 . 1 1 169 169 THR H H 169 8.784 8.784 8.848 -0.064 18728 2939 1 3 . 1 1 170 170 VAL N N 170 125.540 125.540 125.767 -0.227 18728 2940 1 3 . 1 1 170 170 VAL HA H 170 3.751 3.751 4.158 -0.407 18728 2941 1 3 . 1 1 170 170 VAL C C 170 175.997 175.997 174.355 1.642 18728 2942 1 3 . 1 1 170 170 VAL CA C 170 60.770 60.770 59.929 0.841 18728 2943 1 3 . 1 1 170 170 VAL CB C 170 34.216 34.216 34.547 -0.332 18728 2944 1 3 . 1 1 170 170 VAL H H 170 8.268 8.268 8.751 -0.483 18728 2945 1 3 . 1 1 171 171 ASN N N 171 126.811 126.811 125.650 1.161 18728 2946 1 3 . 1 1 171 171 ASN HA H 171 4.065 4.065 4.357 -0.292 18728 2947 1 3 . 1 1 171 171 ASN C C 171 174.266 174.266 175.115 -0.849 18728 2948 1 3 . 1 1 171 171 ASN CA C 171 53.184 53.184 53.731 -0.547 18728 2949 1 3 . 1 1 171 171 ASN CB C 171 37.436 37.436 38.028 -0.592 18728 2950 1 3 . 1 1 171 171 ASN H H 171 9.437 9.437 9.001 0.436 18728 2951 1 3 . 1 1 172 172 GLY N N 172 100.629 100.629 100.732 -0.103 18728 2952 1 3 . 1 1 172 172 GLY C C 172 173.335 173.335 173.586 -0.251 18728 2953 1 3 . 1 1 172 172 GLY CA C 172 45.154 45.154 45.255 -0.101 18728 2954 1 3 . 1 1 172 172 GLY H H 172 8.194 8.194 8.261 -0.067 18728 2955 1 3 . 1 1 173 173 HIS N N 173 119.555 119.555 119.437 0.118 18728 2956 1 3 . 1 1 173 173 HIS HA H 173 4.860 4.860 4.699 0.161 18728 2957 1 3 . 1 1 173 173 HIS CA C 173 53.723 53.723 54.598 -0.875 18728 2958 1 3 . 1 1 173 173 HIS CB C 173 31.589 31.589 32.480 -0.891 18728 2959 1 3 . 1 1 173 173 HIS H H 173 7.657 7.657 7.903 -0.246 18728 2960 1 3 . 1 1 174 174 ASN N N 174 122.936 122.936 121.770 1.166 18728 2961 1 3 . 1 1 174 174 ASN HA H 174 4.794 4.794 5.467 -0.673 18728 2962 1 3 . 1 1 174 174 ASN C C 174 174.918 174.918 175.030 -0.112 18728 2963 1 3 . 1 1 174 174 ASN CA C 174 53.748 53.748 52.293 1.455 18728 2964 1 3 . 1 1 174 174 ASN CB C 174 38.185 38.185 38.877 -0.692 18728 2965 1 3 . 1 1 174 174 ASN H H 174 8.828 8.828 8.687 0.141 18728 2966 1 3 . 1 1 175 175 CYS N N 175 126.425 126.425 120.717 5.708 18728 2967 1 3 . 1 1 175 175 CYS HA H 175 4.872 4.872 4.834 0.038 18728 2968 1 3 . 1 1 175 175 CYS C C 175 173.853 173.853 173.618 0.235 18728 2969 1 3 . 1 1 175 175 CYS CA C 175 59.380 59.380 56.227 3.153 18728 2970 1 3 . 1 1 175 175 CYS CB C 175 29.966 29.966 31.287 -1.321 18728 2971 1 3 . 1 1 175 175 CYS H H 175 9.078 9.078 8.884 0.194 18728 2972 1 3 . 1 1 176 176 GLU N N 176 124.488 124.488 121.398 3.090 18728 2973 1 3 . 1 1 176 176 GLU HA H 176 4.661 4.661 4.628 0.033 18728 2974 1 3 . 1 1 176 176 GLU C C 176 175.343 175.343 175.253 0.090 18728 2975 1 3 . 1 1 176 176 GLU CA C 176 55.296 55.296 55.244 0.052 18728 2976 1 3 . 1 1 176 176 GLU CB C 176 31.550 31.550 30.991 0.559 18728 2977 1 3 . 1 1 176 176 GLU H H 176 8.161 8.161 8.915 -0.754 18728 2978 1 3 . 1 1 177 177 VAL N N 177 122.521 122.521 125.663 -3.142 18728 2979 1 3 . 1 1 177 177 VAL HA H 177 5.628 5.628 5.391 0.237 18728 2980 1 3 . 1 1 177 177 VAL C C 177 175.720 175.720 174.264 1.456 18728 2981 1 3 . 1 1 177 177 VAL CA C 177 59.713 59.713 60.536 -0.823 18728 2982 1 3 . 1 1 177 177 VAL CB C 177 34.523 34.523 34.538 -0.015 18728 2983 1 3 . 1 1 177 177 VAL H H 177 8.684 8.684 8.895 -0.211 18728 2984 1 3 . 1 1 178 178 ARG N N 178 119.915 119.915 122.407 -2.492 18728 2985 1 3 . 1 1 178 178 ARG HA H 178 4.746 4.746 4.816 -0.070 18728 2986 1 3 . 1 1 178 178 ARG C C 178 175.689 175.689 174.741 0.948 18728 2987 1 3 . 1 1 178 178 ARG CA C 178 54.212 54.212 54.181 0.031 18728 2988 1 3 . 1 1 178 178 ARG CB C 178 34.184 34.184 33.428 0.755 18728 2989 1 3 . 1 1 178 178 ARG H H 178 8.701 8.701 8.944 -0.243 18728 2990 1 3 . 1 1 179 179 LYS N N 179 121.001 121.001 120.710 0.291 18728 2991 1 3 . 1 1 179 179 LYS HA H 179 4.098 4.098 4.275 -0.177 18728 2992 1 3 . 1 1 179 179 LYS C C 179 176.026 176.026 176.051 -0.025 18728 2993 1 3 . 1 1 179 179 LYS CA C 179 59.027 59.027 56.660 2.367 18728 2994 1 3 . 1 1 179 179 LYS CB C 179 33.377 33.377 32.162 1.215 18728 2995 1 3 . 1 1 179 179 LYS H H 179 8.990 8.990 8.567 0.423 18728 2996 1 3 . 1 1 180 180 ALA N N 180 126.810 126.810 127.098 -0.288 18728 2997 1 3 . 1 1 180 180 ALA HA H 180 4.565 4.565 4.821 -0.256 18728 2998 1 3 . 1 1 180 180 ALA C C 180 175.318 175.318 175.807 -0.489 18728 2999 1 3 . 1 1 180 180 ALA CA C 180 51.432 51.432 50.825 0.607 18728 3000 1 3 . 1 1 180 180 ALA CB C 180 19.201 19.201 21.666 -2.465 18728 3001 1 3 . 1 1 180 180 ALA H H 180 8.378 8.378 8.546 -0.168 18728 3002 1 3 . 1 1 181 181 LEU N N 181 122.300 122.300 124.487 -2.187 18728 3003 1 3 . 1 1 181 181 LEU HA H 181 4.401 4.401 4.470 -0.069 18728 3004 1 3 . 1 1 181 181 LEU CA C 181 54.737 54.737 54.107 0.630 18728 3005 1 3 . 1 1 181 181 LEU CB C 181 43.199 43.199 41.640 1.559 18728 3006 1 3 . 1 1 181 181 LEU H H 181 8.001 8.001 8.547 -0.546 18728 3007 1 3 . 1 1 182 182 SER HA H 182 4.406 4.406 4.544 -0.138 18728 3008 1 3 . 1 1 182 182 SER CA C 182 58.100 58.100 57.389 0.711 18728 3009 1 3 . 1 1 182 182 SER CB C 182 64.440 64.440 65.351 -0.911 18728 3010 1 3 . 1 1 183 183 LYS HA H 183 4.101 4.101 4.065 0.036 18728 3011 1 3 . 1 1 183 183 LYS C C 183 177.343 177.343 178.865 -1.522 18728 3012 1 3 . 1 1 183 183 LYS CA C 183 57.744 57.744 58.989 -1.245 18728 3013 1 3 . 1 1 183 183 LYS CB C 183 32.586 32.586 32.219 0.367 18728 3014 1 3 . 1 1 184 184 GLN N N 184 120.056 120.056 119.091 0.965 18728 3015 1 3 . 1 1 184 184 GLN HA H 184 4.167 4.167 4.194 -0.027 18728 3016 1 3 . 1 1 184 184 GLN C C 184 176.718 176.718 177.915 -1.197 18728 3017 1 3 . 1 1 184 184 GLN CA C 184 56.981 56.981 59.050 -2.069 18728 3018 1 3 . 1 1 184 184 GLN CB C 184 28.990 28.990 27.599 1.391 18728 3019 1 3 . 1 1 184 184 GLN H H 184 8.320 8.320 8.358 -0.038 18728 3020 1 3 . 1 1 185 185 GLU N N 185 121.610 121.610 117.788 3.822 18728 3021 1 3 . 1 1 185 185 GLU HA H 185 4.132 4.132 4.141 -0.009 18728 3022 1 3 . 1 1 185 185 GLU C C 185 177.117 177.117 177.900 -0.783 18728 3023 1 3 . 1 1 185 185 GLU CA C 185 57.234 57.234 58.833 -1.599 18728 3024 1 3 . 1 1 185 185 GLU CB C 185 30.235 30.235 28.970 1.265 18728 3025 1 3 . 1 1 185 185 GLU H H 185 8.143 8.143 8.579 -0.436 18728 3026 1 3 . 1 1 186 186 MET N N 186 120.092 120.092 116.804 3.288 18728 3027 1 3 . 1 1 186 186 MET HA H 186 4.289 4.289 4.397 -0.108 18728 3028 1 3 . 1 1 186 186 MET C C 186 176.438 176.438 177.823 -1.385 18728 3029 1 3 . 1 1 186 186 MET CA C 186 56.069 56.069 57.591 -1.522 18728 3030 1 3 . 1 1 186 186 MET CB C 186 32.847 32.847 33.395 -0.548 18728 3031 1 3 . 1 1 186 186 MET H H 186 8.195 8.195 7.944 0.251 18728 3032 1 3 . 1 1 187 187 ALA N N 187 124.104 124.104 119.200 4.904 18728 3033 1 3 . 1 1 187 187 ALA HA H 187 4.297 4.297 4.399 -0.102 18728 3034 1 3 . 1 1 187 187 ALA C C 187 178.107 178.107 177.426 0.681 18728 3035 1 3 . 1 1 187 187 ALA CA C 187 52.912 52.912 52.430 0.482 18728 3036 1 3 . 1 1 187 187 ALA CB C 187 19.060 19.060 19.678 -0.618 18728 3037 1 3 . 1 1 187 187 ALA H H 187 8.060 8.060 7.745 0.315 18728 3038 1 3 . 1 1 188 188 SER N N 188 114.374 114.374 111.581 2.793 18728 3039 1 3 . 1 1 188 188 SER HA H 188 4.357 4.357 4.135 0.222 18728 3040 1 3 . 1 1 188 188 SER C C 188 174.757 174.757 173.156 1.601 18728 3041 1 3 . 1 1 188 188 SER CA C 188 58.598 58.598 59.169 -0.571 18728 3042 1 3 . 1 1 188 188 SER CB C 188 63.734 63.734 60.960 2.774 18728 3043 1 3 . 1 1 188 188 SER H H 188 8.173 8.173 7.931 0.242 18728 3044 1 3 . 1 1 189 189 ALA N N 189 125.637 125.637 122.922 2.715 18728 3045 1 3 . 1 1 189 189 ALA HA H 189 4.246 4.246 4.541 -0.295 18728 3046 1 3 . 1 1 189 189 ALA CA C 189 53.015 53.015 51.859 1.156 18728 3047 1 3 . 1 1 189 189 ALA CB C 189 19.069 19.069 20.982 -1.913 18728 3048 1 3 . 1 1 189 189 ALA H H 189 8.207 8.207 7.603 0.604 18728 3049 1 4 . 1 1 5 5 GLU N N 5 122.509 122.509 123.715 -1.206 18728 3050 1 4 . 1 1 5 5 GLU HA H 5 4.345 4.345 4.270 0.075 18728 3051 1 4 . 1 1 5 5 GLU C C 5 176.240 176.240 175.788 0.452 18728 3052 1 4 . 1 1 5 5 GLU CA C 5 56.190 56.190 57.261 -1.071 18728 3053 1 4 . 1 1 5 5 GLU CB C 5 30.611 30.611 29.661 0.950 18728 3054 1 4 . 1 1 5 5 GLU H H 5 8.321 8.321 8.324 -0.003 18728 3055 1 4 . 1 1 6 6 SER N N 6 118.728 118.728 121.906 -3.178 18728 3056 1 4 . 1 1 6 6 SER HA H 6 4.342 4.342 4.642 -0.300 18728 3057 1 4 . 1 1 6 6 SER CA C 6 56.305 56.305 56.132 0.173 18728 3058 1 4 . 1 1 6 6 SER CB C 6 63.241 63.241 62.971 0.270 18728 3059 1 4 . 1 1 6 6 SER H H 6 8.349 8.349 8.325 0.024 18728 3060 1 4 . 1 1 7 7 PRO HA H 7 4.427 4.427 4.748 -0.321 18728 3061 1 4 . 1 1 7 7 PRO C C 7 177.027 177.027 175.592 1.435 18728 3062 1 4 . 1 1 7 7 PRO CA C 7 63.271 63.271 62.679 0.592 18728 3063 1 4 . 1 1 7 7 PRO CB C 7 32.111 32.111 33.279 -1.169 18728 3064 1 4 . 1 1 8 8 LYS N N 8 121.819 121.819 119.258 2.561 18728 3065 1 4 . 1 1 8 8 LYS HA H 8 4.290 4.290 4.430 -0.140 18728 3066 1 4 . 1 1 8 8 LYS C C 8 177.015 177.015 175.719 1.296 18728 3067 1 4 . 1 1 8 8 LYS CA C 8 56.455 56.455 56.593 -0.138 18728 3068 1 4 . 1 1 8 8 LYS CB C 8 33.341 33.341 33.187 0.154 18728 3069 1 4 . 1 1 8 8 LYS H H 8 8.445 8.445 8.623 -0.178 18728 3070 1 4 . 1 1 9 9 GLU N N 9 121.243 121.243 120.322 0.921 18728 3071 1 4 . 1 1 9 9 GLU HA H 9 4.606 4.606 4.705 -0.100 18728 3072 1 4 . 1 1 9 9 GLU CA C 9 54.480 54.480 53.467 1.013 18728 3073 1 4 . 1 1 9 9 GLU CB C 9 29.572 29.572 30.099 -0.527 18728 3074 1 4 . 1 1 9 9 GLU H H 9 8.313 8.313 7.771 0.542 18728 3075 1 4 . 1 1 10 10 PRO HA H 10 4.335 4.335 4.396 -0.061 18728 3076 1 4 . 1 1 10 10 PRO C C 10 177.491 177.491 178.002 -0.511 18728 3077 1 4 . 1 1 10 10 PRO CA C 10 63.587 63.587 62.561 1.026 18728 3078 1 4 . 1 1 10 10 PRO CB C 10 32.374 32.374 32.597 -0.223 18728 3079 1 4 . 1 1 11 11 GLU N N 11 123.071 123.071 121.193 1.878 18728 3080 1 4 . 1 1 11 11 GLU HA H 11 3.686 3.686 3.856 -0.170 18728 3081 1 4 . 1 1 11 11 GLU C C 11 177.984 177.984 178.129 -0.145 18728 3082 1 4 . 1 1 11 11 GLU CA C 11 59.651 59.651 59.638 0.013 18728 3083 1 4 . 1 1 11 11 GLU CB C 11 29.819 29.819 28.900 0.919 18728 3084 1 4 . 1 1 11 11 GLU H H 11 8.692 8.692 8.803 -0.111 18728 3085 1 4 . 1 1 12 12 GLN N N 12 116.079 116.079 115.898 0.181 18728 3086 1 4 . 1 1 12 12 GLN HA H 12 3.979 3.979 4.120 -0.141 18728 3087 1 4 . 1 1 12 12 GLN C C 12 177.579 177.579 177.156 0.423 18728 3088 1 4 . 1 1 12 12 GLN CA C 12 58.526 58.526 58.239 0.287 18728 3089 1 4 . 1 1 12 12 GLN CB C 12 28.112 28.112 28.320 -0.208 18728 3090 1 4 . 1 1 12 12 GLN H H 12 8.647 8.647 8.368 0.279 18728 3091 1 4 . 1 1 13 13 LEU N N 13 116.530 116.530 115.961 0.569 18728 3092 1 4 . 1 1 13 13 LEU HA H 13 4.264 4.264 4.397 -0.133 18728 3093 1 4 . 1 1 13 13 LEU C C 13 177.080 177.080 177.829 -0.749 18728 3094 1 4 . 1 1 13 13 LEU CA C 13 55.945 55.945 55.404 0.541 18728 3095 1 4 . 1 1 13 13 LEU CB C 13 42.317 42.317 42.499 -0.182 18728 3096 1 4 . 1 1 13 13 LEU H H 13 7.471 7.471 7.619 -0.148 18728 3097 1 4 . 1 1 14 14 ARG N N 14 116.981 116.981 114.274 2.707 18728 3098 1 4 . 1 1 14 14 ARG HA H 14 4.417 4.417 4.512 -0.095 18728 3099 1 4 . 1 1 14 14 ARG C C 14 172.996 172.996 175.655 -2.659 18728 3100 1 4 . 1 1 14 14 ARG CA C 14 56.067 56.067 55.856 0.211 18728 3101 1 4 . 1 1 14 14 ARG CB C 14 29.944 29.944 31.206 -1.262 18728 3102 1 4 . 1 1 14 14 ARG H H 14 7.576 7.576 7.391 0.185 18728 3103 1 4 . 1 1 15 15 LYS N N 15 119.990 119.990 122.167 -2.177 18728 3104 1 4 . 1 1 15 15 LYS HA H 15 5.198 5.198 5.258 -0.060 18728 3105 1 4 . 1 1 15 15 LYS CA C 15 55.301 55.301 55.164 0.137 18728 3106 1 4 . 1 1 15 15 LYS CB C 15 35.888 35.888 35.301 0.587 18728 3107 1 4 . 1 1 15 15 LYS H H 15 6.946 6.946 7.779 -0.833 18728 3108 1 4 . 1 1 16 16 LEU N N 16 126.081 126.081 125.648 0.433 18728 3109 1 4 . 1 1 16 16 LEU HA H 16 5.016 5.016 5.182 -0.166 18728 3110 1 4 . 1 1 16 16 LEU C C 16 176.309 176.309 175.817 0.492 18728 3111 1 4 . 1 1 16 16 LEU CA C 16 53.334 53.334 53.371 -0.037 18728 3112 1 4 . 1 1 16 16 LEU CB C 16 45.062 45.062 44.621 0.441 18728 3113 1 4 . 1 1 16 16 LEU H H 16 9.605 9.605 9.108 0.497 18728 3114 1 4 . 1 1 17 17 PHE N N 17 123.569 123.569 124.765 -1.196 18728 3115 1 4 . 1 1 17 17 PHE HA H 17 4.585 4.585 5.197 -0.612 18728 3116 1 4 . 1 1 17 17 PHE C C 17 174.362 174.362 174.169 0.193 18728 3117 1 4 . 1 1 17 17 PHE CA C 17 57.153 57.153 56.069 1.084 18728 3118 1 4 . 1 1 17 17 PHE CB C 17 40.603 40.603 41.070 -0.467 18728 3119 1 4 . 1 1 17 17 PHE H H 17 9.023 9.023 9.316 -0.293 18728 3120 1 4 . 1 1 18 18 ILE N N 18 126.932 126.932 128.135 -1.203 18728 3121 1 4 . 1 1 18 18 ILE HA H 18 4.029 4.029 4.242 -0.213 18728 3122 1 4 . 1 1 18 18 ILE C C 18 173.832 173.832 174.799 -0.967 18728 3123 1 4 . 1 1 18 18 ILE CA C 18 59.156 59.156 58.034 1.122 18728 3124 1 4 . 1 1 18 18 ILE CB C 18 36.909 36.909 36.663 0.246 18728 3125 1 4 . 1 1 18 18 ILE H H 18 8.486 8.486 8.651 -0.165 18728 3126 1 4 . 1 1 19 19 GLY N N 19 112.953 112.953 112.663 0.290 18728 3127 1 4 . 1 1 19 19 GLY C C 19 174.426 174.426 173.687 0.739 18728 3128 1 4 . 1 1 19 19 GLY CA C 19 43.611 43.611 43.152 0.459 18728 3129 1 4 . 1 1 19 19 GLY H H 19 7.948 7.948 8.598 -0.650 18728 3130 1 4 . 1 1 20 20 GLY N N 20 107.584 107.584 111.076 -3.492 18728 3131 1 4 . 1 1 20 20 GLY C C 20 175.563 175.563 174.429 1.134 18728 3132 1 4 . 1 1 20 20 GLY CA C 20 46.530 46.530 45.027 1.503 18728 3133 1 4 . 1 1 20 20 GLY H H 20 8.542 8.542 8.112 0.430 18728 3134 1 4 . 1 1 21 21 LEU N N 21 115.232 115.232 120.417 -5.185 18728 3135 1 4 . 1 1 21 21 LEU HA H 21 4.025 4.025 4.249 -0.224 18728 3136 1 4 . 1 1 21 21 LEU C C 21 179.121 179.121 177.045 2.076 18728 3137 1 4 . 1 1 21 21 LEU CA C 21 54.192 54.192 54.478 -0.286 18728 3138 1 4 . 1 1 21 21 LEU CB C 21 42.892 42.892 42.661 0.231 18728 3139 1 4 . 1 1 21 21 LEU H H 21 7.472 7.472 7.965 -0.493 18728 3140 1 4 . 1 1 22 22 SER N N 22 114.737 114.737 114.785 -0.048 18728 3141 1 4 . 1 1 22 22 SER HA H 22 4.125 4.125 4.673 -0.548 18728 3142 1 4 . 1 1 22 22 SER C C 22 177.842 177.842 175.313 2.529 18728 3143 1 4 . 1 1 22 22 SER CA C 22 57.635 57.635 57.682 -0.047 18728 3144 1 4 . 1 1 22 22 SER CB C 22 63.106 63.106 65.309 -2.203 18728 3145 1 4 . 1 1 22 22 SER H H 22 9.136 9.136 8.412 0.724 18728 3146 1 4 . 1 1 23 23 PHE N N 23 128.194 128.194 120.403 7.791 18728 3147 1 4 . 1 1 23 23 PHE HA H 23 4.307 4.307 4.553 -0.246 18728 3148 1 4 . 1 1 23 23 PHE C C 23 175.626 175.626 175.432 0.194 18728 3149 1 4 . 1 1 23 23 PHE CA C 23 60.205 60.205 59.406 0.799 18728 3150 1 4 . 1 1 23 23 PHE CB C 23 37.570 37.570 39.367 -1.797 18728 3151 1 4 . 1 1 23 23 PHE H H 23 9.034 9.034 9.059 -0.025 18728 3152 1 4 . 1 1 24 24 GLU N N 24 116.093 116.093 117.333 -1.240 18728 3153 1 4 . 1 1 24 24 GLU HA H 24 4.255 4.255 4.494 -0.239 18728 3154 1 4 . 1 1 24 24 GLU C C 24 177.429 177.429 175.709 1.720 18728 3155 1 4 . 1 1 24 24 GLU CA C 24 56.522 56.522 54.995 1.527 18728 3156 1 4 . 1 1 24 24 GLU CB C 24 29.980 29.980 30.288 -0.308 18728 3157 1 4 . 1 1 24 24 GLU H H 24 8.295 8.295 7.651 0.644 18728 3158 1 4 . 1 1 25 25 THR N N 25 118.836 118.836 118.629 0.207 18728 3159 1 4 . 1 1 25 25 THR HA H 25 4.091 4.091 4.347 -0.256 18728 3160 1 4 . 1 1 25 25 THR C C 25 174.238 174.238 174.128 0.110 18728 3161 1 4 . 1 1 25 25 THR CA C 25 64.862 64.862 62.990 1.872 18728 3162 1 4 . 1 1 25 25 THR CB C 25 68.584 68.584 69.309 -0.725 18728 3163 1 4 . 1 1 25 25 THR H H 25 7.280 7.280 7.440 -0.160 18728 3164 1 4 . 1 1 26 26 THR N N 26 119.434 119.434 115.898 3.536 18728 3165 1 4 . 1 1 26 26 THR HA H 26 4.484 4.484 4.602 -0.118 18728 3166 1 4 . 1 1 26 26 THR C C 26 174.563 174.563 174.690 -0.127 18728 3167 1 4 . 1 1 26 26 THR CA C 26 59.361 59.361 59.672 -0.311 18728 3168 1 4 . 1 1 26 26 THR CB C 26 72.727 72.727 72.007 0.720 18728 3169 1 4 . 1 1 26 26 THR H H 26 8.447 8.447 8.266 0.181 18728 3170 1 4 . 1 1 27 27 ASP N N 27 120.342 120.342 121.135 -0.793 18728 3171 1 4 . 1 1 27 27 ASP HA H 27 3.920 3.920 4.340 -0.420 18728 3172 1 4 . 1 1 27 27 ASP C C 27 178.347 178.347 177.989 0.358 18728 3173 1 4 . 1 1 27 27 ASP CA C 27 58.148 58.148 56.981 1.167 18728 3174 1 4 . 1 1 27 27 ASP CB C 27 39.954 39.954 40.683 -0.729 18728 3175 1 4 . 1 1 27 27 ASP H H 27 8.794 8.794 8.720 0.074 18728 3176 1 4 . 1 1 28 28 GLU N N 28 116.494 116.494 119.379 -2.885 18728 3177 1 4 . 1 1 28 28 GLU HA H 28 3.993 3.993 4.096 -0.103 18728 3178 1 4 . 1 1 28 28 GLU C C 28 178.987 178.987 178.777 0.210 18728 3179 1 4 . 1 1 28 28 GLU CA C 28 60.281 60.281 59.218 1.063 18728 3180 1 4 . 1 1 28 28 GLU CB C 28 29.193 29.193 29.309 -0.116 18728 3181 1 4 . 1 1 28 28 GLU H H 28 8.444 8.444 8.739 -0.295 18728 3182 1 4 . 1 1 29 29 SER N N 29 120.532 120.532 116.317 4.215 18728 3183 1 4 . 1 1 29 29 SER HA H 29 4.333 4.333 4.344 -0.011 18728 3184 1 4 . 1 1 29 29 SER C C 29 178.125 178.125 176.759 1.366 18728 3185 1 4 . 1 1 29 29 SER CA C 29 61.720 61.720 61.384 0.336 18728 3186 1 4 . 1 1 29 29 SER H H 29 8.384 8.384 7.575 0.809 18728 3187 1 4 . 1 1 30 30 LEU N N 30 126.754 126.754 123.978 2.776 18728 3188 1 4 . 1 1 30 30 LEU HA H 30 4.080 4.080 4.192 -0.112 18728 3189 1 4 . 1 1 30 30 LEU C C 30 178.341 178.341 177.695 0.646 18728 3190 1 4 . 1 1 30 30 LEU CA C 30 58.073 58.073 57.633 0.440 18728 3191 1 4 . 1 1 30 30 LEU CB C 30 42.524 42.524 41.789 0.735 18728 3192 1 4 . 1 1 30 30 LEU H H 30 8.487 8.487 8.105 0.382 18728 3193 1 4 . 1 1 31 31 ARG N N 31 121.192 121.192 119.348 1.844 18728 3194 1 4 . 1 1 31 31 ARG HA H 31 3.863 3.863 3.883 -0.020 18728 3195 1 4 . 1 1 31 31 ARG C C 31 177.765 177.765 178.391 -0.626 18728 3196 1 4 . 1 1 31 31 ARG CA C 31 59.706 59.706 60.270 -0.564 18728 3197 1 4 . 1 1 31 31 ARG CB C 31 30.648 30.648 30.110 0.538 18728 3198 1 4 . 1 1 31 31 ARG H H 31 7.980 7.980 8.357 -0.377 18728 3199 1 4 . 1 1 32 32 SER N N 32 112.868 112.868 112.902 -0.034 18728 3200 1 4 . 1 1 32 32 SER HA H 32 4.104 4.104 4.302 -0.198 18728 3201 1 4 . 1 1 32 32 SER C C 32 176.416 176.416 175.828 0.588 18728 3202 1 4 . 1 1 32 32 SER CA C 32 61.437 61.437 61.313 0.124 18728 3203 1 4 . 1 1 32 32 SER CB C 32 62.933 62.933 63.128 -0.195 18728 3204 1 4 . 1 1 32 32 SER H H 32 8.295 8.295 8.046 0.249 18728 3205 1 4 . 1 1 33 33 HIS N N 33 115.910 115.910 120.590 -4.680 18728 3206 1 4 . 1 1 33 33 HIS HA H 33 4.346 4.346 4.388 -0.042 18728 3207 1 4 . 1 1 33 33 HIS C C 33 177.510 177.510 177.627 -0.117 18728 3208 1 4 . 1 1 33 33 HIS CA C 33 60.373 60.373 59.535 0.838 18728 3209 1 4 . 1 1 33 33 HIS CB C 33 30.776 30.776 29.959 0.817 18728 3210 1 4 . 1 1 33 33 HIS H H 33 7.406 7.406 7.486 -0.080 18728 3211 1 4 . 1 1 34 34 PHE N N 34 113.562 113.562 118.637 -5.075 18728 3212 1 4 . 1 1 34 34 PHE HA H 34 4.526 4.526 4.910 -0.384 18728 3213 1 4 . 1 1 34 34 PHE C C 34 179.061 179.061 178.239 0.822 18728 3214 1 4 . 1 1 34 34 PHE CA C 34 64.104 64.104 61.561 2.543 18728 3215 1 4 . 1 1 34 34 PHE CB C 34 38.379 38.379 39.195 -0.816 18728 3216 1 4 . 1 1 34 34 PHE H H 34 8.227 8.227 8.150 0.077 18728 3217 1 4 . 1 1 35 35 GLU N N 35 124.490 124.490 120.124 4.366 18728 3218 1 4 . 1 1 35 35 GLU HA H 35 4.962 4.962 4.415 0.547 18728 3219 1 4 . 1 1 35 35 GLU C C 35 176.476 176.476 177.879 -1.403 18728 3220 1 4 . 1 1 35 35 GLU CA C 35 57.950 57.950 58.737 -0.787 18728 3221 1 4 . 1 1 35 35 GLU CB C 35 28.690 28.690 29.103 -0.413 18728 3222 1 4 . 1 1 35 35 GLU H H 35 9.219 9.219 8.674 0.545 18728 3223 1 4 . 1 1 36 36 GLN N N 36 116.596 116.596 117.022 -0.426 18728 3224 1 4 . 1 1 36 36 GLN HA H 36 3.706 3.706 3.950 -0.244 18728 3225 1 4 . 1 1 36 36 GLN C C 36 176.486 176.486 177.217 -0.731 18728 3226 1 4 . 1 1 36 36 GLN CA C 36 58.206 58.206 57.606 0.600 18728 3227 1 4 . 1 1 36 36 GLN CB C 36 27.731 27.731 28.239 -0.508 18728 3228 1 4 . 1 1 36 36 GLN H H 36 7.011 7.011 7.555 -0.544 18728 3229 1 4 . 1 1 37 37 TRP N N 37 114.690 114.690 117.286 -2.596 18728 3230 1 4 . 1 1 37 37 TRP HA H 37 4.481 4.481 4.876 -0.395 18728 3231 1 4 . 1 1 37 37 TRP C C 37 173.662 173.662 176.581 -2.919 18728 3232 1 4 . 1 1 37 37 TRP CA C 37 61.557 61.557 58.458 3.099 18728 3233 1 4 . 1 1 37 37 TRP CB C 37 29.074 29.074 31.474 -2.400 18728 3234 1 4 . 1 1 37 37 TRP H H 37 7.017 7.017 7.832 -0.815 18728 3235 1 4 . 1 1 38 38 GLY N N 38 105.060 105.060 104.866 0.194 18728 3236 1 4 . 1 1 38 38 GLY C C 38 171.596 171.596 172.485 -0.889 18728 3237 1 4 . 1 1 38 38 GLY CA C 38 45.545 45.545 45.534 0.011 18728 3238 1 4 . 1 1 38 38 GLY H H 38 7.294 7.294 7.810 -0.516 18728 3239 1 4 . 1 1 39 39 THR N N 39 117.179 117.179 119.821 -2.642 18728 3240 1 4 . 1 1 39 39 THR HA H 39 4.231 4.231 4.267 -0.036 18728 3241 1 4 . 1 1 39 39 THR C C 39 173.760 173.760 174.303 -0.543 18728 3242 1 4 . 1 1 39 39 THR CA C 39 62.904 62.904 64.028 -1.124 18728 3243 1 4 . 1 1 39 39 THR CB C 39 69.813 69.813 69.248 0.566 18728 3244 1 4 . 1 1 39 39 THR H H 39 8.770 8.770 8.304 0.466 18728 3245 1 4 . 1 1 40 40 LEU N N 40 126.702 126.702 127.429 -0.727 18728 3246 1 4 . 1 1 40 40 LEU HA H 40 4.943 4.943 4.540 0.403 18728 3247 1 4 . 1 1 40 40 LEU C C 40 178.358 178.358 177.814 0.544 18728 3248 1 4 . 1 1 40 40 LEU CA C 40 52.969 52.969 54.424 -1.455 18728 3249 1 4 . 1 1 40 40 LEU CB C 40 41.893 41.893 42.930 -1.037 18728 3250 1 4 . 1 1 40 40 LEU H H 40 8.831 8.831 8.626 0.205 18728 3251 1 4 . 1 1 41 41 THR N N 41 117.175 117.175 113.091 4.084 18728 3252 1 4 . 1 1 41 41 THR HA H 41 4.197 4.197 4.444 -0.247 18728 3253 1 4 . 1 1 41 41 THR C C 41 175.050 175.050 174.512 0.538 18728 3254 1 4 . 1 1 41 41 THR CA C 41 62.668 62.668 62.050 0.618 18728 3255 1 4 . 1 1 41 41 THR CB C 41 67.618 67.618 70.770 -3.152 18728 3256 1 4 . 1 1 41 41 THR H H 41 8.926 8.926 9.073 -0.147 18728 3257 1 4 . 1 1 42 42 ASP N N 42 118.764 118.764 119.390 -0.626 18728 3258 1 4 . 1 1 42 42 ASP HA H 42 4.620 4.620 4.838 -0.218 18728 3259 1 4 . 1 1 42 42 ASP C C 42 174.637 174.637 173.616 1.021 18728 3260 1 4 . 1 1 42 42 ASP CA C 42 54.235 54.235 54.070 0.165 18728 3261 1 4 . 1 1 42 42 ASP CB C 42 44.253 44.253 44.278 -0.025 18728 3262 1 4 . 1 1 42 42 ASP H H 42 7.513 7.513 7.683 -0.170 18728 3263 1 4 . 1 1 43 43 CYS N N 43 123.632 123.632 123.049 0.583 18728 3264 1 4 . 1 1 43 43 CYS HA H 43 4.842 4.842 5.373 -0.531 18728 3265 1 4 . 1 1 43 43 CYS C C 43 171.885 171.885 172.302 -0.417 18728 3266 1 4 . 1 1 43 43 CYS CA C 43 59.376 59.376 57.947 1.429 18728 3267 1 4 . 1 1 43 43 CYS CB C 43 26.377 26.377 30.764 -4.387 18728 3268 1 4 . 1 1 43 43 CYS H H 43 8.436 8.436 8.549 -0.113 18728 3269 1 4 . 1 1 44 44 VAL N N 44 126.787 126.787 126.025 0.762 18728 3270 1 4 . 1 1 44 44 VAL HA H 44 4.576 4.576 4.507 0.069 18728 3271 1 4 . 1 1 44 44 VAL C C 44 173.371 173.371 173.499 -0.128 18728 3272 1 4 . 1 1 44 44 VAL CA C 44 60.151 60.151 60.754 -0.603 18728 3273 1 4 . 1 1 44 44 VAL CB C 44 36.424 36.424 35.510 0.914 18728 3274 1 4 . 1 1 44 44 VAL H H 44 8.737 8.737 8.950 -0.213 18728 3275 1 4 . 1 1 45 45 VAL N N 45 125.522 125.522 128.260 -2.738 18728 3276 1 4 . 1 1 45 45 VAL HA H 45 3.711 3.711 3.912 -0.201 18728 3277 1 4 . 1 1 45 45 VAL C C 45 176.674 176.674 175.420 1.254 18728 3278 1 4 . 1 1 45 45 VAL CA C 45 62.509 62.509 61.498 1.011 18728 3279 1 4 . 1 1 45 45 VAL CB C 45 33.175 33.175 32.809 0.366 18728 3280 1 4 . 1 1 45 45 VAL H H 45 8.269 8.269 8.392 -0.123 18728 3281 1 4 . 1 1 46 46 MET N N 46 126.833 126.833 127.320 -0.487 18728 3282 1 4 . 1 1 46 46 MET HA H 46 4.441 4.441 4.320 0.121 18728 3283 1 4 . 1 1 46 46 MET C C 46 175.413 175.413 174.781 0.632 18728 3284 1 4 . 1 1 46 46 MET CA C 46 54.852 54.852 54.442 0.410 18728 3285 1 4 . 1 1 46 46 MET CB C 46 30.454 30.454 29.753 0.701 18728 3286 1 4 . 1 1 46 46 MET H H 46 8.445 8.445 8.241 0.204 18728 3287 1 4 . 1 1 47 47 ARG N N 47 120.697 120.697 123.288 -2.591 18728 3288 1 4 . 1 1 47 47 ARG HA H 47 4.838 4.838 4.699 0.139 18728 3289 1 4 . 1 1 47 47 ARG CA C 47 54.308 54.308 54.531 -0.223 18728 3290 1 4 . 1 1 47 47 ARG CB C 47 34.048 34.048 32.355 1.693 18728 3291 1 4 . 1 1 47 47 ARG H H 47 8.308 8.308 7.870 0.438 18728 3292 1 4 . 1 1 48 48 ASP N N 48 125.146 125.146 121.524 3.622 18728 3293 1 4 . 1 1 48 48 ASP HA H 48 4.686 4.686 4.906 -0.220 18728 3294 1 4 . 1 1 48 48 ASP C C 48 176.046 176.046 176.222 -0.176 18728 3295 1 4 . 1 1 48 48 ASP CA C 48 52.106 52.106 51.907 0.199 18728 3296 1 4 . 1 1 48 48 ASP CB C 48 42.878 42.878 42.108 0.770 18728 3297 1 4 . 1 1 48 48 ASP H H 48 8.577 8.577 8.320 0.257 18728 3298 1 4 . 1 1 49 49 PRO HA H 49 4.310 4.310 4.247 0.063 18728 3299 1 4 . 1 1 49 49 PRO C C 49 177.166 177.166 177.854 -0.688 18728 3300 1 4 . 1 1 49 49 PRO CA C 49 64.584 64.584 64.818 -0.234 18728 3301 1 4 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.139 -0.003 18728 3302 1 4 . 1 1 50 50 ASN N N 50 115.474 115.474 117.329 -1.855 18728 3303 1 4 . 1 1 50 50 ASN HA H 50 4.723 4.723 4.666 0.057 18728 3304 1 4 . 1 1 50 50 ASN C C 50 176.642 176.642 176.986 -0.344 18728 3305 1 4 . 1 1 50 50 ASN CA C 50 55.444 55.444 56.008 -0.564 18728 3306 1 4 . 1 1 50 50 ASN CB C 50 39.455 39.455 39.346 0.109 18728 3307 1 4 . 1 1 50 50 ASN H H 50 8.560 8.560 8.822 -0.262 18728 3308 1 4 . 1 1 51 51 THR N N 51 108.788 108.788 110.400 -1.612 18728 3309 1 4 . 1 1 51 51 THR HA H 51 4.264 4.264 4.399 -0.136 18728 3310 1 4 . 1 1 51 51 THR C C 51 176.018 176.018 174.824 1.194 18728 3311 1 4 . 1 1 51 51 THR CA C 51 62.063 62.063 62.571 -0.508 18728 3312 1 4 . 1 1 51 51 THR CB C 51 70.768 70.768 69.895 0.872 18728 3313 1 4 . 1 1 51 51 THR H H 51 8.277 8.277 7.828 0.449 18728 3314 1 4 . 1 1 52 52 LYS N N 52 114.615 114.615 116.045 -1.430 18728 3315 1 4 . 1 1 52 52 LYS HA H 52 3.917 3.917 3.990 -0.073 18728 3316 1 4 . 1 1 52 52 LYS C C 52 175.376 175.376 175.035 0.341 18728 3317 1 4 . 1 1 52 52 LYS CA C 52 57.902 57.902 57.162 0.740 18728 3318 1 4 . 1 1 52 52 LYS CB C 52 29.293 29.293 29.532 -0.239 18728 3319 1 4 . 1 1 52 52 LYS H H 52 8.091 8.091 8.175 -0.084 18728 3320 1 4 . 1 1 53 53 ARG N N 53 120.395 120.395 117.502 2.893 18728 3321 1 4 . 1 1 53 53 ARG HA H 53 4.169 4.169 4.499 -0.330 18728 3322 1 4 . 1 1 53 53 ARG C C 53 176.619 176.619 175.245 1.374 18728 3323 1 4 . 1 1 53 53 ARG CA C 53 56.233 56.233 52.835 3.398 18728 3324 1 4 . 1 1 53 53 ARG CB C 53 31.045 31.045 31.851 -0.806 18728 3325 1 4 . 1 1 53 53 ARG H H 53 7.847 7.847 7.395 0.452 18728 3326 1 4 . 1 1 54 54 SER N N 54 116.987 116.987 115.352 1.635 18728 3327 1 4 . 1 1 54 54 SER HA H 54 4.186 4.186 4.118 0.068 18728 3328 1 4 . 1 1 54 54 SER C C 54 175.755 175.755 175.023 0.732 18728 3329 1 4 . 1 1 54 54 SER CA C 54 58.559 58.559 58.456 0.103 18728 3330 1 4 . 1 1 54 54 SER CB C 54 63.922 63.922 63.443 0.479 18728 3331 1 4 . 1 1 54 54 SER H H 54 8.810 8.810 7.821 0.989 18728 3332 1 4 . 1 1 55 55 ARG N N 55 123.427 123.427 126.800 -3.373 18728 3333 1 4 . 1 1 55 55 ARG HA H 55 4.403 4.403 4.417 -0.014 18728 3334 1 4 . 1 1 55 55 ARG C C 55 177.962 177.962 176.903 1.059 18728 3335 1 4 . 1 1 55 55 ARG CA C 55 56.096 56.096 55.425 0.671 18728 3336 1 4 . 1 1 55 55 ARG CB C 55 31.294 31.294 30.547 0.747 18728 3337 1 4 . 1 1 55 55 ARG H H 55 8.976 8.976 8.515 0.461 18728 3338 1 4 . 1 1 56 56 GLY N N 56 107.308 107.308 107.356 -0.048 18728 3339 1 4 . 1 1 56 56 GLY C C 56 171.856 171.856 173.485 -1.629 18728 3340 1 4 . 1 1 56 56 GLY CA C 56 45.669 45.669 45.411 0.258 18728 3341 1 4 . 1 1 56 56 GLY H H 56 9.375 9.375 8.091 1.284 18728 3342 1 4 . 1 1 57 57 PHE N N 57 112.537 112.537 115.090 -2.553 18728 3343 1 4 . 1 1 57 57 PHE HA H 57 5.201 5.201 5.413 -0.212 18728 3344 1 4 . 1 1 57 57 PHE C C 57 172.646 172.646 172.991 -0.345 18728 3345 1 4 . 1 1 57 57 PHE CA C 57 54.918 54.918 55.202 -0.284 18728 3346 1 4 . 1 1 57 57 PHE CB C 57 41.743 41.743 41.032 0.710 18728 3347 1 4 . 1 1 57 57 PHE H H 57 7.044 7.044 7.120 -0.076 18728 3348 1 4 . 1 1 58 58 GLY N N 58 106.816 106.816 106.612 0.204 18728 3349 1 4 . 1 1 58 58 GLY C C 58 169.931 169.931 171.125 -1.194 18728 3350 1 4 . 1 1 58 58 GLY CA C 58 45.304 45.304 44.387 0.917 18728 3351 1 4 . 1 1 58 58 GLY H H 58 8.345 8.345 8.303 0.042 18728 3352 1 4 . 1 1 59 59 PHE N N 59 115.179 115.179 115.462 -0.283 18728 3353 1 4 . 1 1 59 59 PHE HA H 59 5.645 5.645 5.572 0.073 18728 3354 1 4 . 1 1 59 59 PHE C C 59 174.929 174.929 174.308 0.621 18728 3355 1 4 . 1 1 59 59 PHE CA C 59 56.541 56.541 56.258 0.284 18728 3356 1 4 . 1 1 59 59 PHE CB C 59 43.984 43.984 43.774 0.210 18728 3357 1 4 . 1 1 59 59 PHE H H 59 8.903 8.903 8.673 0.230 18728 3358 1 4 . 1 1 60 60 VAL N N 60 115.310 115.310 116.792 -1.482 18728 3359 1 4 . 1 1 60 60 VAL HA H 60 4.540 4.540 4.823 -0.283 18728 3360 1 4 . 1 1 60 60 VAL C C 60 173.246 173.246 174.799 -1.553 18728 3361 1 4 . 1 1 60 60 VAL CA C 60 59.421 59.421 60.043 -0.622 18728 3362 1 4 . 1 1 60 60 VAL CB C 60 34.678 34.678 33.220 1.458 18728 3363 1 4 . 1 1 60 60 VAL H H 60 8.569 8.569 8.964 -0.395 18728 3364 1 4 . 1 1 61 61 THR N N 61 120.158 120.158 123.742 -3.584 18728 3365 1 4 . 1 1 61 61 THR HA H 61 5.068 5.068 4.877 0.191 18728 3366 1 4 . 1 1 61 61 THR C C 61 173.985 173.985 173.968 0.017 18728 3367 1 4 . 1 1 61 61 THR CA C 61 61.033 61.033 62.157 -1.123 18728 3368 1 4 . 1 1 61 61 THR CB C 61 70.114 70.114 69.633 0.481 18728 3369 1 4 . 1 1 61 61 THR H H 61 8.180 8.180 8.985 -0.805 18728 3370 1 4 . 1 1 62 62 TYR N N 62 125.280 125.280 126.949 -1.669 18728 3371 1 4 . 1 1 62 62 TYR HA H 62 5.357 5.357 4.846 0.511 18728 3372 1 4 . 1 1 62 62 TYR C C 62 176.696 176.696 177.190 -0.494 18728 3373 1 4 . 1 1 62 62 TYR CA C 62 58.297 58.297 58.660 -0.363 18728 3374 1 4 . 1 1 62 62 TYR CB C 62 42.217 42.217 40.084 2.133 18728 3375 1 4 . 1 1 62 62 TYR H H 62 8.407 8.407 9.151 -0.744 18728 3376 1 4 . 1 1 63 63 ALA N N 63 121.648 121.648 124.530 -2.882 18728 3377 1 4 . 1 1 63 63 ALA HA H 63 4.052 4.052 4.290 -0.238 18728 3378 1 4 . 1 1 63 63 ALA C C 63 178.252 178.252 176.858 1.394 18728 3379 1 4 . 1 1 63 63 ALA CA C 63 55.269 55.269 54.855 0.414 18728 3380 1 4 . 1 1 63 63 ALA CB C 63 19.068 19.068 19.407 -0.339 18728 3381 1 4 . 1 1 63 63 ALA H H 63 8.749 8.749 8.951 -0.202 18728 3382 1 4 . 1 1 64 64 THR N N 64 105.238 105.238 110.990 -5.752 18728 3383 1 4 . 1 1 64 64 THR HA H 64 4.902 4.902 4.595 0.307 18728 3384 1 4 . 1 1 64 64 THR C C 64 174.667 174.667 174.581 0.086 18728 3385 1 4 . 1 1 64 64 THR CA C 64 59.184 59.184 60.806 -1.622 18728 3386 1 4 . 1 1 64 64 THR CB C 64 73.193 73.193 71.982 1.211 18728 3387 1 4 . 1 1 64 64 THR H H 64 7.992 7.992 7.588 0.404 18728 3388 1 4 . 1 1 65 65 VAL N N 65 120.939 120.939 123.301 -2.362 18728 3389 1 4 . 1 1 65 65 VAL HA H 65 3.670 3.670 3.760 -0.090 18728 3390 1 4 . 1 1 65 65 VAL C C 65 177.446 177.446 176.854 0.592 18728 3391 1 4 . 1 1 65 65 VAL CA C 65 65.535 65.535 64.965 0.570 18728 3392 1 4 . 1 1 65 65 VAL CB C 65 31.538 31.538 32.044 -0.506 18728 3393 1 4 . 1 1 65 65 VAL H H 65 8.968 8.968 8.966 0.002 18728 3394 1 4 . 1 1 66 66 GLU N N 66 120.818 120.818 118.646 2.172 18728 3395 1 4 . 1 1 66 66 GLU HA H 66 4.045 4.045 4.037 0.008 18728 3396 1 4 . 1 1 66 66 GLU C C 66 180.056 180.056 178.394 1.662 18728 3397 1 4 . 1 1 66 66 GLU CA C 66 60.430 60.430 59.834 0.596 18728 3398 1 4 . 1 1 66 66 GLU CB C 66 28.909 28.909 28.697 0.212 18728 3399 1 4 . 1 1 66 66 GLU H H 66 8.686 8.686 8.598 0.088 18728 3400 1 4 . 1 1 67 67 GLU N N 67 120.729 120.729 118.811 1.918 18728 3401 1 4 . 1 1 67 67 GLU HA H 67 3.853 3.853 4.032 -0.179 18728 3402 1 4 . 1 1 67 67 GLU C C 67 177.040 177.040 178.532 -1.492 18728 3403 1 4 . 1 1 67 67 GLU CA C 67 59.391 59.391 58.681 0.710 18728 3404 1 4 . 1 1 67 67 GLU CB C 67 29.590 29.590 28.893 0.697 18728 3405 1 4 . 1 1 67 67 GLU H H 67 7.487 7.487 7.513 -0.026 18728 3406 1 4 . 1 1 68 68 VAL N N 68 118.408 118.408 119.901 -1.493 18728 3407 1 4 . 1 1 68 68 VAL HA H 68 3.165 3.165 3.144 0.021 18728 3408 1 4 . 1 1 68 68 VAL C C 68 178.293 178.293 177.375 0.918 18728 3409 1 4 . 1 1 68 68 VAL CA C 68 66.391 66.391 66.491 -0.100 18728 3410 1 4 . 1 1 68 68 VAL CB C 68 31.092 31.092 31.621 -0.529 18728 3411 1 4 . 1 1 68 68 VAL H H 68 6.882 6.882 7.092 -0.210 18728 3412 1 4 . 1 1 69 69 ASP N N 69 119.356 119.356 119.866 -0.510 18728 3413 1 4 . 1 1 69 69 ASP HA H 69 4.128 4.128 4.275 -0.147 18728 3414 1 4 . 1 1 69 69 ASP C C 69 178.765 178.765 178.222 0.543 18728 3415 1 4 . 1 1 69 69 ASP CA C 69 57.394 57.394 57.692 -0.298 18728 3416 1 4 . 1 1 69 69 ASP CB C 69 39.879 39.879 41.016 -1.137 18728 3417 1 4 . 1 1 69 69 ASP H H 69 8.109 8.109 7.594 0.515 18728 3418 1 4 . 1 1 70 70 ALA N N 70 123.031 123.031 121.368 1.663 18728 3419 1 4 . 1 1 70 70 ALA HA H 70 4.070 4.070 4.007 0.063 18728 3420 1 4 . 1 1 70 70 ALA C C 70 180.518 180.518 179.366 1.152 18728 3421 1 4 . 1 1 70 70 ALA CA C 70 55.209 55.209 55.167 0.042 18728 3422 1 4 . 1 1 70 70 ALA CB C 70 18.104 18.104 18.319 -0.215 18728 3423 1 4 . 1 1 70 70 ALA H H 70 7.736 7.736 8.299 -0.563 18728 3424 1 4 . 1 1 71 71 ALA N N 71 121.446 121.446 118.705 2.741 18728 3425 1 4 . 1 1 71 71 ALA HA H 71 3.034 3.034 3.876 -0.842 18728 3426 1 4 . 1 1 71 71 ALA C C 71 182.248 182.248 179.427 2.821 18728 3427 1 4 . 1 1 71 71 ALA CA C 71 55.251 55.251 54.618 0.633 18728 3428 1 4 . 1 1 71 71 ALA CB C 71 17.976 17.976 18.369 -0.393 18728 3429 1 4 . 1 1 71 71 ALA H H 71 8.101 8.101 7.243 0.858 18728 3430 1 4 . 1 1 72 72 MET N N 72 118.027 118.027 118.637 -0.610 18728 3431 1 4 . 1 1 72 72 MET HA H 72 4.430 4.430 4.112 0.318 18728 3432 1 4 . 1 1 72 72 MET C C 72 179.409 179.409 178.421 0.988 18728 3433 1 4 . 1 1 72 72 MET CA C 72 56.379 56.379 58.812 -2.433 18728 3434 1 4 . 1 1 72 72 MET CB C 72 30.498 30.498 31.912 -1.414 18728 3435 1 4 . 1 1 72 72 MET H H 72 8.681 8.681 7.547 1.134 18728 3436 1 4 . 1 1 73 73 ASN N N 73 119.415 119.415 117.703 1.712 18728 3437 1 4 . 1 1 73 73 ASN HA H 73 4.627 4.627 4.526 0.101 18728 3438 1 4 . 1 1 73 73 ASN C C 73 175.014 175.014 177.139 -2.125 18728 3439 1 4 . 1 1 73 73 ASN CA C 73 54.323 54.323 55.903 -1.580 18728 3440 1 4 . 1 1 73 73 ASN CB C 73 38.468 38.468 38.210 0.258 18728 3441 1 4 . 1 1 73 73 ASN H H 73 8.096 8.096 8.206 -0.110 18728 3442 1 4 . 1 1 74 74 ALA N N 74 122.253 122.253 122.015 0.238 18728 3443 1 4 . 1 1 74 74 ALA HA H 74 4.299 4.299 4.093 0.206 18728 3444 1 4 . 1 1 74 74 ALA C C 74 175.305 175.305 177.077 -1.772 18728 3445 1 4 . 1 1 74 74 ALA CA C 74 51.273 51.273 52.046 -0.773 18728 3446 1 4 . 1 1 74 74 ALA CB C 74 18.922 18.922 18.613 0.309 18728 3447 1 4 . 1 1 74 74 ALA H H 74 6.966 6.966 7.341 -0.375 18728 3448 1 4 . 1 1 75 75 ARG N N 75 116.833 116.833 120.045 -3.212 18728 3449 1 4 . 1 1 75 75 ARG HA H 75 3.608 3.608 4.070 -0.462 18728 3450 1 4 . 1 1 75 75 ARG CA C 75 55.086 55.086 55.176 -0.090 18728 3451 1 4 . 1 1 75 75 ARG CB C 75 30.199 30.199 29.743 0.456 18728 3452 1 4 . 1 1 75 75 ARG H H 75 6.749 6.749 7.188 -0.439 18728 3453 1 4 . 1 1 76 76 PRO HA H 76 4.434 4.434 4.572 -0.138 18728 3454 1 4 . 1 1 76 76 PRO C C 76 175.590 175.590 175.553 0.037 18728 3455 1 4 . 1 1 76 76 PRO CA C 76 61.614 61.614 62.655 -1.041 18728 3456 1 4 . 1 1 76 76 PRO CB C 76 34.982 34.982 33.148 1.834 18728 3457 1 4 . 1 1 77 77 HIS N N 77 122.039 122.039 118.584 3.455 18728 3458 1 4 . 1 1 77 77 HIS HA H 77 4.559 4.559 4.954 -0.395 18728 3459 1 4 . 1 1 77 77 HIS C C 77 173.137 173.137 174.146 -1.009 18728 3460 1 4 . 1 1 77 77 HIS CA C 77 56.231 56.231 55.586 0.645 18728 3461 1 4 . 1 1 77 77 HIS CB C 77 32.909 32.909 34.216 -1.307 18728 3462 1 4 . 1 1 77 77 HIS H H 77 9.384 9.384 8.352 1.032 18728 3463 1 4 . 1 1 78 78 LYS N N 78 125.607 125.607 123.549 2.058 18728 3464 1 4 . 1 1 78 78 LYS HA H 78 4.939 4.939 5.157 -0.218 18728 3465 1 4 . 1 1 78 78 LYS C C 78 174.858 174.858 174.827 0.031 18728 3466 1 4 . 1 1 78 78 LYS CA C 78 54.755 54.755 55.304 -0.549 18728 3467 1 4 . 1 1 78 78 LYS CB C 78 33.475 33.475 34.269 -0.794 18728 3468 1 4 . 1 1 78 78 LYS H H 78 8.485 8.485 8.632 -0.147 18728 3469 1 4 . 1 1 79 79 VAL N N 79 124.596 124.596 125.484 -0.888 18728 3470 1 4 . 1 1 79 79 VAL HA H 79 3.955 3.955 4.077 -0.122 18728 3471 1 4 . 1 1 79 79 VAL C C 79 176.295 176.295 175.908 0.387 18728 3472 1 4 . 1 1 79 79 VAL CA C 79 60.737 60.737 60.692 0.045 18728 3473 1 4 . 1 1 79 79 VAL CB C 79 33.249 33.249 32.509 0.740 18728 3474 1 4 . 1 1 79 79 VAL H H 79 8.581 8.581 8.208 0.373 18728 3475 1 4 . 1 1 80 80 ASP N N 80 128.668 128.668 126.778 1.890 18728 3476 1 4 . 1 1 80 80 ASP HA H 80 4.228 4.228 4.304 -0.076 18728 3477 1 4 . 1 1 80 80 ASP C C 80 175.744 175.744 176.007 -0.263 18728 3478 1 4 . 1 1 80 80 ASP CA C 80 55.882 55.882 54.977 0.905 18728 3479 1 4 . 1 1 80 80 ASP CB C 80 39.692 39.692 40.465 -0.773 18728 3480 1 4 . 1 1 80 80 ASP H H 80 9.553 9.553 9.324 0.229 18728 3481 1 4 . 1 1 81 81 GLY N N 81 101.527 101.527 103.738 -2.211 18728 3482 1 4 . 1 1 81 81 GLY C C 81 173.560 173.560 173.766 -0.206 18728 3483 1 4 . 1 1 81 81 GLY CA C 81 45.445 45.445 45.557 -0.112 18728 3484 1 4 . 1 1 81 81 GLY H H 81 8.488 8.488 8.572 -0.084 18728 3485 1 4 . 1 1 82 82 ARG N N 82 120.493 120.493 119.640 0.853 18728 3486 1 4 . 1 1 82 82 ARG HA H 82 4.640 4.640 4.636 0.004 18728 3487 1 4 . 1 1 82 82 ARG C C 82 174.512 174.512 174.587 -0.075 18728 3488 1 4 . 1 1 82 82 ARG CA C 82 53.161 53.161 54.361 -1.200 18728 3489 1 4 . 1 1 82 82 ARG CB C 82 32.507 32.507 33.403 -0.896 18728 3490 1 4 . 1 1 82 82 ARG H H 82 7.555 7.555 7.441 0.114 18728 3491 1 4 . 1 1 83 83 VAL N N 83 124.855 124.855 126.257 -1.402 18728 3492 1 4 . 1 1 83 83 VAL HA H 83 4.501 4.501 4.530 -0.029 18728 3493 1 4 . 1 1 83 83 VAL C C 83 176.701 176.701 174.820 1.881 18728 3494 1 4 . 1 1 83 83 VAL CA C 83 63.290 63.290 61.599 1.691 18728 3495 1 4 . 1 1 83 83 VAL CB C 83 30.867 30.867 32.390 -1.523 18728 3496 1 4 . 1 1 83 83 VAL H H 83 8.633 8.633 8.596 0.037 18728 3497 1 4 . 1 1 84 84 VAL N N 84 122.944 122.944 126.075 -3.131 18728 3498 1 4 . 1 1 84 84 VAL HA H 84 4.667 4.667 4.964 -0.297 18728 3499 1 4 . 1 1 84 84 VAL C C 84 174.969 174.969 174.152 0.817 18728 3500 1 4 . 1 1 84 84 VAL CA C 84 59.499 59.499 59.264 0.235 18728 3501 1 4 . 1 1 84 84 VAL CB C 84 32.761 32.761 34.906 -2.145 18728 3502 1 4 . 1 1 84 84 VAL H H 84 8.391 8.391 8.717 -0.326 18728 3503 1 4 . 1 1 85 85 GLU N N 85 120.907 120.907 122.486 -1.579 18728 3504 1 4 . 1 1 85 85 GLU HA H 85 5.087 5.087 4.980 0.107 18728 3505 1 4 . 1 1 85 85 GLU CA C 85 52.949 52.949 52.271 0.678 18728 3506 1 4 . 1 1 85 85 GLU CB C 85 31.367 31.367 32.395 -1.028 18728 3507 1 4 . 1 1 85 85 GLU H H 85 8.681 8.681 9.048 -0.367 18728 3508 1 4 . 1 1 86 86 PRO HA H 86 5.383 5.383 4.947 0.436 18728 3509 1 4 . 1 1 86 86 PRO C C 86 175.908 175.908 175.969 -0.061 18728 3510 1 4 . 1 1 86 86 PRO CA C 86 61.444 61.444 62.737 -1.293 18728 3511 1 4 . 1 1 86 86 PRO CB C 86 32.657 32.657 32.511 0.145 18728 3512 1 4 . 1 1 87 87 LYS N N 87 121.252 121.252 120.812 0.440 18728 3513 1 4 . 1 1 87 87 LYS HA H 87 4.688 4.688 5.040 -0.352 18728 3514 1 4 . 1 1 87 87 LYS C C 87 175.676 175.676 175.718 -0.042 18728 3515 1 4 . 1 1 87 87 LYS CA C 87 55.101 55.101 53.723 1.378 18728 3516 1 4 . 1 1 87 87 LYS CB C 87 36.608 36.608 36.636 -0.028 18728 3517 1 4 . 1 1 87 87 LYS H H 87 9.397 9.397 8.779 0.618 18728 3518 1 4 . 1 1 88 88 ARG N N 88 123.272 123.272 121.769 1.503 18728 3519 1 4 . 1 1 88 88 ARG HA H 88 4.375 4.375 4.418 -0.043 18728 3520 1 4 . 1 1 88 88 ARG C C 88 177.011 177.011 176.316 0.695 18728 3521 1 4 . 1 1 88 88 ARG CA C 88 57.209 57.209 55.777 1.432 18728 3522 1 4 . 1 1 88 88 ARG CB C 88 30.452 30.452 30.306 0.146 18728 3523 1 4 . 1 1 88 88 ARG H H 88 8.940 8.940 8.856 0.084 18728 3524 1 4 . 1 1 89 89 ALA N N 89 126.260 126.260 131.042 -4.782 18728 3525 1 4 . 1 1 89 89 ALA HA H 89 4.259 4.259 4.495 -0.236 18728 3526 1 4 . 1 1 89 89 ALA C C 89 177.452 177.452 177.303 0.149 18728 3527 1 4 . 1 1 89 89 ALA CA C 89 53.712 53.712 52.554 1.158 18728 3528 1 4 . 1 1 89 89 ALA CB C 89 18.824 18.824 18.520 0.304 18728 3529 1 4 . 1 1 89 89 ALA H H 89 8.424 8.424 8.175 0.249 18728 3530 1 4 . 1 1 90 90 VAL N N 90 115.835 115.835 124.232 -8.397 18728 3531 1 4 . 1 1 90 90 VAL HA H 90 4.182 4.182 3.877 0.305 18728 3532 1 4 . 1 1 90 90 VAL C C 90 175.397 175.397 175.970 -0.573 18728 3533 1 4 . 1 1 90 90 VAL CA C 90 61.516 61.516 63.062 -1.546 18728 3534 1 4 . 1 1 90 90 VAL CB C 90 33.448 33.448 31.991 1.457 18728 3535 1 4 . 1 1 90 90 VAL H H 90 7.892 7.892 7.847 0.045 18728 3536 1 4 . 1 1 91 91 SER N N 91 119.224 119.224 120.538 -1.314 18728 3537 1 4 . 1 1 91 91 SER HA H 91 4.420 4.420 4.517 -0.097 18728 3538 1 4 . 1 1 91 91 SER CA C 91 57.888 57.888 57.244 0.644 18728 3539 1 4 . 1 1 91 91 SER CB C 91 63.788 63.788 65.040 -1.252 18728 3540 1 4 . 1 1 91 91 SER H H 91 8.327 8.327 8.866 -0.539 18728 3541 1 4 . 1 1 92 92 ARG HA H 92 4.231 4.231 4.066 0.166 18728 3542 1 4 . 1 1 92 92 ARG C C 92 176.651 176.651 177.417 -0.766 18728 3543 1 4 . 1 1 92 92 ARG CA C 92 56.671 56.671 58.859 -2.188 18728 3544 1 4 . 1 1 92 92 ARG CB C 92 30.776 30.776 30.048 0.728 18728 3545 1 4 . 1 1 92 92 ARG H H 92 8.425 8.425 8.861 -0.436 18728 3546 1 4 . 1 1 93 93 GLU N N 93 121.483 121.483 117.998 3.485 18728 3547 1 4 . 1 1 93 93 GLU HA H 93 4.181 4.181 4.080 0.101 18728 3548 1 4 . 1 1 93 93 GLU C C 93 176.605 176.605 178.137 -1.532 18728 3549 1 4 . 1 1 93 93 GLU CA C 93 57.185 57.185 59.122 -1.937 18728 3550 1 4 . 1 1 93 93 GLU CB C 93 30.015 30.015 29.379 0.636 18728 3551 1 4 . 1 1 93 93 GLU H H 93 8.503 8.503 8.446 0.057 18728 3552 1 4 . 1 1 94 94 ASP N N 94 121.305 121.305 116.578 4.727 18728 3553 1 4 . 1 1 94 94 ASP HA H 94 4.540 4.540 4.449 0.091 18728 3554 1 4 . 1 1 94 94 ASP C C 94 176.744 176.744 177.094 -0.350 18728 3555 1 4 . 1 1 94 94 ASP CA C 94 54.678 54.678 55.510 -0.832 18728 3556 1 4 . 1 1 94 94 ASP CB C 94 41.183 41.183 39.641 1.542 18728 3557 1 4 . 1 1 94 94 ASP H H 94 8.229 8.229 8.595 -0.366 18728 3558 1 4 . 1 1 95 95 SER N N 95 115.787 115.787 113.659 2.128 18728 3559 1 4 . 1 1 95 95 SER HA H 95 4.286 4.286 4.333 -0.047 18728 3560 1 4 . 1 1 95 95 SER C C 95 174.602 174.602 174.616 -0.014 18728 3561 1 4 . 1 1 95 95 SER CA C 95 58.957 58.957 58.895 0.062 18728 3562 1 4 . 1 1 95 95 SER CB C 95 64.524 64.524 63.439 1.085 18728 3563 1 4 . 1 1 95 95 SER H H 95 8.109 8.109 7.620 0.489 18728 3564 1 4 . 1 1 96 96 GLN N N 96 120.796 120.796 120.966 -0.170 18728 3565 1 4 . 1 1 96 96 GLN HA H 96 4.297 4.297 4.043 0.254 18728 3566 1 4 . 1 1 96 96 GLN C C 96 175.742 175.742 176.246 -0.504 18728 3567 1 4 . 1 1 96 96 GLN CA C 96 55.721 55.721 57.944 -2.223 18728 3568 1 4 . 1 1 96 96 GLN CB C 96 29.313 29.313 28.938 0.375 18728 3569 1 4 . 1 1 96 96 GLN H H 96 8.161 8.161 7.349 0.812 18728 3570 1 4 . 1 1 97 97 ARG N N 97 122.462 122.462 119.517 2.945 18728 3571 1 4 . 1 1 97 97 ARG HA H 97 4.552 4.552 4.538 0.014 18728 3572 1 4 . 1 1 97 97 ARG CA C 97 54.096 54.096 52.551 1.545 18728 3573 1 4 . 1 1 97 97 ARG CB C 97 30.115 30.115 29.078 1.037 18728 3574 1 4 . 1 1 97 97 ARG H H 97 8.029 8.029 8.248 -0.219 18728 3575 1 4 . 1 1 98 98 PRO HA H 98 4.362 4.362 4.383 -0.021 18728 3576 1 4 . 1 1 98 98 PRO C C 98 177.715 177.715 177.091 0.624 18728 3577 1 4 . 1 1 98 98 PRO CA C 98 63.592 63.592 63.338 0.254 18728 3578 1 4 . 1 1 98 98 PRO CB C 98 31.955 31.955 31.987 -0.032 18728 3579 1 4 . 1 1 99 99 GLY N N 99 109.572 109.572 109.572 0.000 18728 3580 1 4 . 1 1 99 99 GLY C C 99 174.356 174.356 174.433 -0.077 18728 3581 1 4 . 1 1 99 99 GLY CA C 99 45.395 45.395 45.356 0.039 18728 3582 1 4 . 1 1 99 99 GLY H H 99 8.516 8.516 8.437 0.079 18728 3583 1 4 . 1 1 100 100 ALA N N 100 123.418 123.418 121.822 1.596 18728 3584 1 4 . 1 1 100 100 ALA HA H 100 4.141 4.141 3.818 0.323 18728 3585 1 4 . 1 1 100 100 ALA CA C 100 53.160 53.160 54.171 -1.011 18728 3586 1 4 . 1 1 100 100 ALA CB C 100 19.185 19.185 18.941 0.244 18728 3587 1 4 . 1 1 100 100 ALA H H 100 8.015 8.015 7.556 0.459 18728 3588 1 4 . 1 1 101 101 HIS HA H 101 4.502 4.502 4.283 0.219 18728 3589 1 4 . 1 1 101 101 HIS C C 101 175.102 175.102 174.602 0.500 18728 3590 1 4 . 1 1 101 101 HIS CA C 101 56.309 56.309 55.380 0.929 18728 3591 1 4 . 1 1 101 101 HIS CB C 101 30.450 30.450 29.030 1.420 18728 3592 1 4 . 1 1 102 102 LEU N N 102 122.495 122.495 118.434 4.061 18728 3593 1 4 . 1 1 102 102 LEU HA H 102 4.263 4.263 4.364 -0.101 18728 3594 1 4 . 1 1 102 102 LEU C C 102 177.020 177.020 176.692 0.328 18728 3595 1 4 . 1 1 102 102 LEU CA C 102 54.934 54.934 54.358 0.576 18728 3596 1 4 . 1 1 102 102 LEU CB C 102 42.414 42.414 43.340 -0.926 18728 3597 1 4 . 1 1 102 102 LEU H H 102 7.774 7.774 7.500 0.274 18728 3598 1 4 . 1 1 103 103 THR N N 103 115.720 115.720 117.619 -1.899 18728 3599 1 4 . 1 1 103 103 THR HA H 103 4.220 4.220 4.097 0.123 18728 3600 1 4 . 1 1 103 103 THR C C 103 174.185 174.185 173.619 0.566 18728 3601 1 4 . 1 1 103 103 THR CA C 103 60.917 60.917 62.406 -1.489 18728 3602 1 4 . 1 1 103 103 THR CB C 103 69.340 69.340 67.795 1.545 18728 3603 1 4 . 1 1 103 103 THR H H 103 8.001 8.001 8.300 -0.299 18728 3604 1 4 . 1 1 104 104 VAL N N 104 122.004 122.004 125.539 -3.535 18728 3605 1 4 . 1 1 104 104 VAL HA H 104 4.330 4.330 4.476 -0.146 18728 3606 1 4 . 1 1 104 104 VAL C C 104 175.294 175.294 174.587 0.707 18728 3607 1 4 . 1 1 104 104 VAL CA C 104 61.877 61.877 59.975 1.902 18728 3608 1 4 . 1 1 104 104 VAL CB C 104 34.220 34.220 34.188 0.032 18728 3609 1 4 . 1 1 104 104 VAL H H 104 8.191 8.191 7.701 0.490 18728 3610 1 4 . 1 1 105 105 LYS N N 105 121.406 121.406 127.316 -5.910 18728 3611 1 4 . 1 1 105 105 LYS HA H 105 4.498 4.498 4.492 0.006 18728 3612 1 4 . 1 1 105 105 LYS C C 105 173.482 173.482 175.463 -1.981 18728 3613 1 4 . 1 1 105 105 LYS CA C 105 56.433 56.433 55.893 0.540 18728 3614 1 4 . 1 1 105 105 LYS CB C 105 33.245 33.245 32.583 0.662 18728 3615 1 4 . 1 1 105 105 LYS H H 105 8.672 8.672 8.671 0.001 18728 3616 1 4 . 1 1 106 106 LYS N N 106 121.756 121.756 119.444 2.312 18728 3617 1 4 . 1 1 106 106 LYS HA H 106 5.623 5.623 5.471 0.152 18728 3618 1 4 . 1 1 106 106 LYS C C 106 175.153 175.153 175.554 -0.401 18728 3619 1 4 . 1 1 106 106 LYS CA C 106 54.537 54.537 54.829 -0.292 18728 3620 1 4 . 1 1 106 106 LYS CB C 106 37.407 37.407 36.154 1.253 18728 3621 1 4 . 1 1 106 106 LYS H H 106 7.134 7.134 7.737 -0.603 18728 3622 1 4 . 1 1 107 107 ILE N N 107 115.982 115.982 118.761 -2.779 18728 3623 1 4 . 1 1 107 107 ILE HA H 107 5.110 5.110 5.272 -0.162 18728 3624 1 4 . 1 1 107 107 ILE C C 107 174.525 174.525 174.138 0.387 18728 3625 1 4 . 1 1 107 107 ILE CA C 107 59.009 59.009 59.094 -0.085 18728 3626 1 4 . 1 1 107 107 ILE CB C 107 40.552 40.552 41.313 -0.762 18728 3627 1 4 . 1 1 107 107 ILE H H 107 8.948 8.948 8.663 0.285 18728 3628 1 4 . 1 1 108 108 PHE N N 108 124.182 124.182 124.874 -0.692 18728 3629 1 4 . 1 1 108 108 PHE HA H 108 4.696 4.696 4.764 -0.068 18728 3630 1 4 . 1 1 108 108 PHE C C 108 173.422 173.422 173.433 -0.011 18728 3631 1 4 . 1 1 108 108 PHE CA C 108 56.567 56.567 56.032 0.535 18728 3632 1 4 . 1 1 108 108 PHE CB C 108 41.596 41.596 41.644 -0.048 18728 3633 1 4 . 1 1 108 108 PHE H H 108 9.103 9.103 8.960 0.143 18728 3634 1 4 . 1 1 109 109 VAL N N 109 126.956 126.956 126.757 0.199 18728 3635 1 4 . 1 1 109 109 VAL HA H 109 4.497 4.497 4.916 -0.419 18728 3636 1 4 . 1 1 109 109 VAL C C 109 174.097 174.097 174.148 -0.051 18728 3637 1 4 . 1 1 109 109 VAL CA C 109 60.493 60.493 60.201 0.292 18728 3638 1 4 . 1 1 109 109 VAL CB C 109 33.266 33.266 33.127 0.139 18728 3639 1 4 . 1 1 109 109 VAL H H 109 8.338 8.338 8.224 0.114 18728 3640 1 4 . 1 1 110 110 GLY N N 110 113.617 113.617 112.944 0.673 18728 3641 1 4 . 1 1 110 110 GLY C C 110 174.325 174.325 173.084 1.241 18728 3642 1 4 . 1 1 110 110 GLY CA C 110 44.011 44.011 43.423 0.588 18728 3643 1 4 . 1 1 110 110 GLY H H 110 9.173 9.173 8.570 0.603 18728 3644 1 4 . 1 1 111 111 GLY N N 111 106.411 106.411 108.213 -1.802 18728 3645 1 4 . 1 1 111 111 GLY CA C 111 46.359 46.359 45.120 1.239 18728 3646 1 4 . 1 1 111 111 GLY H H 111 8.221 8.221 8.255 -0.034 18728 3647 1 4 . 1 1 116 116 THR HA H 116 4.322 4.322 4.709 -0.387 18728 3648 1 4 . 1 1 116 116 THR C C 116 173.380 173.380 173.819 -0.439 18728 3649 1 4 . 1 1 116 116 THR CA C 116 63.000 63.000 61.772 1.228 18728 3650 1 4 . 1 1 117 117 GLU N N 117 130.298 130.298 124.577 5.721 18728 3651 1 4 . 1 1 117 117 GLU HA H 117 4.632 4.632 4.622 0.011 18728 3652 1 4 . 1 1 117 117 GLU C C 117 177.632 177.632 176.895 0.737 18728 3653 1 4 . 1 1 117 117 GLU CA C 117 53.853 53.853 54.187 -0.334 18728 3654 1 4 . 1 1 117 117 GLU CB C 117 32.977 32.977 31.649 1.328 18728 3655 1 4 . 1 1 117 117 GLU H H 117 11.190 11.190 8.326 2.864 18728 3656 1 4 . 1 1 118 118 GLU N N 118 122.126 122.126 120.784 1.342 18728 3657 1 4 . 1 1 118 118 GLU HA H 118 3.627 3.627 3.987 -0.360 18728 3658 1 4 . 1 1 118 118 GLU C C 118 179.294 179.294 177.784 1.510 18728 3659 1 4 . 1 1 118 118 GLU CA C 118 61.689 61.689 60.327 1.362 18728 3660 1 4 . 1 1 118 118 GLU CB C 118 29.075 29.075 29.530 -0.455 18728 3661 1 4 . 1 1 118 118 GLU H H 118 9.339 9.339 8.824 0.515 18728 3662 1 4 . 1 1 119 119 HIS N N 119 113.514 113.514 117.208 -3.694 18728 3663 1 4 . 1 1 119 119 HIS HA H 119 4.265 4.265 4.229 0.036 18728 3664 1 4 . 1 1 119 119 HIS C C 119 176.566 176.566 177.439 -0.873 18728 3665 1 4 . 1 1 119 119 HIS CA C 119 58.917 58.917 58.541 0.376 18728 3666 1 4 . 1 1 119 119 HIS CB C 119 28.187 28.187 29.815 -1.628 18728 3667 1 4 . 1 1 119 119 HIS H H 119 8.240 8.240 8.006 0.234 18728 3668 1 4 . 1 1 120 120 HIS N N 120 118.629 118.629 117.801 0.828 18728 3669 1 4 . 1 1 120 120 HIS HA H 120 4.332 4.332 4.162 0.170 18728 3670 1 4 . 1 1 120 120 HIS C C 120 179.713 179.713 177.262 2.451 18728 3671 1 4 . 1 1 120 120 HIS CA C 120 60.310 60.310 58.903 1.407 18728 3672 1 4 . 1 1 120 120 HIS CB C 120 32.233 32.233 30.148 2.086 18728 3673 1 4 . 1 1 120 120 HIS H H 120 6.474 6.474 7.528 -1.054 18728 3674 1 4 . 1 1 121 121 LEU N N 121 117.249 117.249 115.894 1.355 18728 3675 1 4 . 1 1 121 121 LEU HA H 121 4.179 4.179 4.375 -0.196 18728 3676 1 4 . 1 1 121 121 LEU C C 121 178.020 178.020 178.575 -0.555 18728 3677 1 4 . 1 1 121 121 LEU CA C 121 57.924 57.924 57.411 0.513 18728 3678 1 4 . 1 1 121 121 LEU CB C 121 42.577 42.577 41.403 1.174 18728 3679 1 4 . 1 1 121 121 LEU H H 121 7.132 7.132 7.703 -0.571 18728 3680 1 4 . 1 1 122 122 ARG N N 122 121.766 121.766 121.353 0.413 18728 3681 1 4 . 1 1 122 122 ARG HA H 122 3.741 3.741 4.075 -0.334 18728 3682 1 4 . 1 1 122 122 ARG C C 122 177.023 177.023 177.958 -0.935 18728 3683 1 4 . 1 1 122 122 ARG CA C 122 60.508 60.508 60.144 0.364 18728 3684 1 4 . 1 1 122 122 ARG CB C 122 30.256 30.256 29.928 0.328 18728 3685 1 4 . 1 1 122 122 ARG H H 122 8.759 8.759 9.027 -0.268 18728 3686 1 4 . 1 1 123 123 ASP N N 123 116.299 116.299 117.857 -1.558 18728 3687 1 4 . 1 1 123 123 ASP HA H 123 4.294 4.294 4.443 -0.149 18728 3688 1 4 . 1 1 123 123 ASP C C 123 178.057 178.057 178.180 -0.123 18728 3689 1 4 . 1 1 123 123 ASP CA C 123 57.076 57.076 57.209 -0.133 18728 3690 1 4 . 1 1 123 123 ASP CB C 123 40.572 40.572 40.829 -0.257 18728 3691 1 4 . 1 1 123 123 ASP H H 123 8.423 8.423 7.848 0.575 18728 3692 1 4 . 1 1 124 124 TYR N N 124 115.172 115.172 119.659 -4.487 18728 3693 1 4 . 1 1 124 124 TYR HA H 124 4.338 4.338 4.234 0.104 18728 3694 1 4 . 1 1 124 124 TYR C C 124 177.688 177.688 177.732 -0.044 18728 3695 1 4 . 1 1 124 124 TYR CA C 124 61.660 61.660 61.233 0.428 18728 3696 1 4 . 1 1 124 124 TYR CB C 124 39.847 39.847 38.957 0.890 18728 3697 1 4 . 1 1 124 124 TYR H H 124 7.212 7.212 7.436 -0.224 18728 3698 1 4 . 1 1 125 125 PHE N N 125 113.932 113.932 118.018 -4.086 18728 3699 1 4 . 1 1 125 125 PHE HA H 125 4.515 4.515 4.389 0.126 18728 3700 1 4 . 1 1 125 125 PHE C C 125 178.209 178.209 178.366 -0.157 18728 3701 1 4 . 1 1 125 125 PHE CA C 125 63.404 63.404 61.150 2.254 18728 3702 1 4 . 1 1 125 125 PHE CB C 125 38.614 38.614 38.540 0.074 18728 3703 1 4 . 1 1 125 125 PHE H H 125 8.802 8.802 8.955 -0.153 18728 3704 1 4 . 1 1 126 126 GLU N N 126 120.515 120.515 118.889 1.626 18728 3705 1 4 . 1 1 126 126 GLU HA H 126 4.884 4.884 4.487 0.397 18728 3706 1 4 . 1 1 126 126 GLU C C 126 177.936 177.936 177.268 0.668 18728 3707 1 4 . 1 1 126 126 GLU CA C 126 58.560 58.560 58.185 0.375 18728 3708 1 4 . 1 1 126 126 GLU CB C 126 28.516 28.516 29.323 -0.807 18728 3709 1 4 . 1 1 126 126 GLU H H 126 8.869 8.869 8.209 0.660 18728 3710 1 4 . 1 1 127 127 GLN N N 127 115.855 115.855 116.009 -0.154 18728 3711 1 4 . 1 1 127 127 GLN HA H 127 4.055 4.055 4.000 0.055 18728 3712 1 4 . 1 1 127 127 GLN C C 127 176.656 176.656 178.224 -1.568 18728 3713 1 4 . 1 1 127 127 GLN CA C 127 57.566 57.566 57.861 -0.294 18728 3714 1 4 . 1 1 127 127 GLN CB C 127 29.047 29.047 28.701 0.346 18728 3715 1 4 . 1 1 127 127 GLN H H 127 7.105 7.105 7.673 -0.568 18728 3716 1 4 . 1 1 128 128 TYR N N 128 116.626 116.626 117.198 -0.572 18728 3717 1 4 . 1 1 128 128 TYR HA H 128 4.328 4.328 4.341 -0.013 18728 3718 1 4 . 1 1 128 128 TYR C C 128 175.596 175.596 175.799 -0.203 18728 3719 1 4 . 1 1 128 128 TYR CA C 128 59.492 59.492 60.181 -0.689 18728 3720 1 4 . 1 1 128 128 TYR CB C 128 39.539 39.539 39.636 -0.097 18728 3721 1 4 . 1 1 128 128 TYR H H 128 7.950 7.950 7.898 0.052 18728 3722 1 4 . 1 1 129 129 GLY N N 129 107.386 107.386 102.173 5.213 18728 3723 1 4 . 1 1 129 129 GLY C C 129 170.407 170.407 172.021 -1.614 18728 3724 1 4 . 1 1 129 129 GLY CA C 129 44.819 44.819 45.207 -0.388 18728 3725 1 4 . 1 1 129 129 GLY H H 129 7.492 7.492 7.591 -0.099 18728 3726 1 4 . 1 1 130 130 LYS N N 130 117.786 117.786 120.838 -3.052 18728 3727 1 4 . 1 1 130 130 LYS HA H 130 4.315 4.315 4.454 -0.139 18728 3728 1 4 . 1 1 130 130 LYS C C 130 177.097 177.097 175.393 1.704 18728 3729 1 4 . 1 1 130 130 LYS CA C 130 56.938 56.938 56.283 0.655 18728 3730 1 4 . 1 1 130 130 LYS CB C 130 33.199 33.199 33.412 -0.213 18728 3731 1 4 . 1 1 130 130 LYS H H 130 8.135 8.135 8.638 -0.503 18728 3732 1 4 . 1 1 131 131 ILE N N 131 127.829 127.829 126.527 1.302 18728 3733 1 4 . 1 1 131 131 ILE HA H 131 3.681 3.681 3.845 -0.164 18728 3734 1 4 . 1 1 131 131 ILE C C 131 175.841 175.841 176.028 -0.187 18728 3735 1 4 . 1 1 131 131 ILE CA C 131 61.625 61.625 60.519 1.107 18728 3736 1 4 . 1 1 131 131 ILE CB C 131 40.441 40.441 39.599 0.842 18728 3737 1 4 . 1 1 131 131 ILE H H 131 8.917 8.917 8.554 0.363 18728 3738 1 4 . 1 1 132 132 GLU N N 132 128.437 128.437 127.369 1.068 18728 3739 1 4 . 1 1 132 132 GLU HA H 132 4.320 4.320 4.352 -0.032 18728 3740 1 4 . 1 1 132 132 GLU C C 132 176.192 176.192 175.878 0.314 18728 3741 1 4 . 1 1 132 132 GLU CA C 132 57.816 57.816 58.134 -0.318 18728 3742 1 4 . 1 1 132 132 GLU CB C 132 31.670 31.670 31.227 0.443 18728 3743 1 4 . 1 1 132 132 GLU H H 132 9.136 9.136 8.678 0.458 18728 3744 1 4 . 1 1 133 133 VAL N N 133 115.096 115.096 116.947 -1.851 18728 3745 1 4 . 1 1 133 133 VAL HA H 133 4.316 4.316 4.228 0.088 18728 3746 1 4 . 1 1 133 133 VAL C C 133 172.860 172.860 173.630 -0.770 18728 3747 1 4 . 1 1 133 133 VAL CA C 133 61.258 61.258 61.316 -0.058 18728 3748 1 4 . 1 1 133 133 VAL CB C 133 35.526 35.526 35.243 0.283 18728 3749 1 4 . 1 1 133 133 VAL H H 133 7.272 7.272 7.449 -0.177 18728 3750 1 4 . 1 1 134 134 ILE N N 134 126.870 126.870 125.005 1.865 18728 3751 1 4 . 1 1 134 134 ILE HA H 134 4.464 4.464 4.417 0.047 18728 3752 1 4 . 1 1 134 134 ILE C C 134 174.004 174.004 174.986 -0.982 18728 3753 1 4 . 1 1 134 134 ILE CA C 134 60.904 60.904 60.525 0.379 18728 3754 1 4 . 1 1 134 134 ILE CB C 134 40.408 40.408 39.550 0.858 18728 3755 1 4 . 1 1 134 134 ILE H H 134 8.566 8.566 8.476 0.090 18728 3756 1 4 . 1 1 135 135 GLU N N 135 128.037 128.037 128.725 -0.688 18728 3757 1 4 . 1 1 135 135 GLU HA H 135 4.642 4.642 4.666 -0.024 18728 3758 1 4 . 1 1 135 135 GLU C C 135 174.883 174.883 175.287 -0.404 18728 3759 1 4 . 1 1 135 135 GLU CA C 135 54.640 54.640 55.306 -0.666 18728 3760 1 4 . 1 1 135 135 GLU CB C 135 33.259 33.259 30.724 2.535 18728 3761 1 4 . 1 1 135 135 GLU H H 135 9.019 9.019 8.866 0.153 18728 3762 1 4 . 1 1 136 136 ILE N N 136 126.668 126.668 125.913 0.755 18728 3763 1 4 . 1 1 136 136 ILE HA H 136 3.898 3.898 4.299 -0.401 18728 3764 1 4 . 1 1 136 136 ILE C C 136 176.157 176.157 175.000 1.157 18728 3765 1 4 . 1 1 136 136 ILE CA C 136 61.336 61.336 59.767 1.569 18728 3766 1 4 . 1 1 136 136 ILE CB C 136 37.397 37.397 37.590 -0.193 18728 3767 1 4 . 1 1 136 136 ILE H H 136 8.967 8.967 8.648 0.319 18728 3768 1 4 . 1 1 137 137 MET N N 137 126.115 126.115 128.851 -2.736 18728 3769 1 4 . 1 1 137 137 MET HA H 137 4.679 4.679 4.691 -0.012 18728 3770 1 4 . 1 1 137 137 MET C C 137 176.723 176.723 175.217 1.506 18728 3771 1 4 . 1 1 137 137 MET CA C 137 55.163 55.163 52.877 2.286 18728 3772 1 4 . 1 1 137 137 MET CB C 137 30.841 30.841 30.327 0.514 18728 3773 1 4 . 1 1 137 137 MET H H 137 7.656 7.656 8.598 -0.942 18728 3774 1 4 . 1 1 138 138 THR N N 138 116.735 116.735 117.099 -0.364 18728 3775 1 4 . 1 1 138 138 THR HA H 138 4.746 4.746 5.027 -0.281 18728 3776 1 4 . 1 1 138 138 THR C C 138 173.642 173.642 173.666 -0.024 18728 3777 1 4 . 1 1 138 138 THR CA C 138 60.385 60.385 59.996 0.389 18728 3778 1 4 . 1 1 138 138 THR CB C 138 72.028 72.028 71.258 0.770 18728 3779 1 4 . 1 1 138 138 THR H H 138 8.551 8.551 8.092 0.459 18728 3780 1 4 . 1 1 139 139 ASP N N 139 123.899 123.899 121.706 2.193 18728 3781 1 4 . 1 1 139 139 ASP HA H 139 4.677 4.677 4.635 0.042 18728 3782 1 4 . 1 1 139 139 ASP CA C 139 53.728 53.728 53.466 0.262 18728 3783 1 4 . 1 1 139 139 ASP CB C 139 42.270 42.270 43.138 -0.868 18728 3784 1 4 . 1 1 139 139 ASP H H 139 8.818 8.818 8.661 0.157 18728 3785 1 4 . 1 1 140 140 ARG HA H 140 4.037 4.037 4.256 -0.219 18728 3786 1 4 . 1 1 140 140 ARG C C 140 177.886 177.886 176.142 1.744 18728 3787 1 4 . 1 1 140 140 ARG CB C 140 29.886 29.886 29.366 0.520 18728 3788 1 4 . 1 1 141 141 GLY N N 141 107.951 107.951 108.214 -0.263 18728 3789 1 4 . 1 1 141 141 GLY C C 141 174.861 174.861 175.022 -0.161 18728 3790 1 4 . 1 1 141 141 GLY CA C 141 46.490 46.490 45.239 1.251 18728 3791 1 4 . 1 1 141 141 GLY H H 141 8.635 8.635 8.129 0.506 18728 3792 1 4 . 1 1 142 142 SER N N 142 114.044 114.044 115.763 -1.719 18728 3793 1 4 . 1 1 142 142 SER HA H 142 4.533 4.533 4.642 -0.109 18728 3794 1 4 . 1 1 142 142 SER C C 142 176.080 176.080 174.752 1.328 18728 3795 1 4 . 1 1 142 142 SER CA C 142 58.429 58.429 57.807 0.622 18728 3796 1 4 . 1 1 142 142 SER CB C 142 65.439 65.439 64.331 1.108 18728 3797 1 4 . 1 1 142 142 SER H H 142 8.034 8.034 8.663 -0.629 18728 3798 1 4 . 1 1 143 143 GLY N N 143 112.348 112.348 109.180 3.168 18728 3799 1 4 . 1 1 143 143 GLY C C 143 173.949 173.949 173.871 0.078 18728 3800 1 4 . 1 1 143 143 GLY CA C 143 45.703 45.703 45.380 0.323 18728 3801 1 4 . 1 1 143 143 GLY H H 143 8.363 8.363 7.706 0.657 18728 3802 1 4 . 1 1 144 144 LYS N N 144 119.966 119.966 119.582 0.384 18728 3803 1 4 . 1 1 144 144 LYS HA H 144 4.273 4.273 4.312 -0.039 18728 3804 1 4 . 1 1 144 144 LYS C C 144 176.969 176.969 176.423 0.546 18728 3805 1 4 . 1 1 144 144 LYS CA C 144 56.145 56.145 54.496 1.649 18728 3806 1 4 . 1 1 144 144 LYS CB C 144 33.378 33.378 32.965 0.413 18728 3807 1 4 . 1 1 144 144 LYS H H 144 7.786 7.786 8.028 -0.242 18728 3808 1 4 . 1 1 145 145 LYS N N 145 123.668 123.668 121.824 1.844 18728 3809 1 4 . 1 1 145 145 LYS HA H 145 4.187 4.187 4.446 -0.259 18728 3810 1 4 . 1 1 145 145 LYS C C 145 177.498 177.498 177.343 0.155 18728 3811 1 4 . 1 1 145 145 LYS CA C 145 57.392 57.392 56.248 1.144 18728 3812 1 4 . 1 1 145 145 LYS CB C 145 32.577 32.577 31.994 0.583 18728 3813 1 4 . 1 1 145 145 LYS H H 145 8.968 8.968 8.346 0.622 18728 3814 1 4 . 1 1 146 146 ARG N N 146 119.700 119.700 124.646 -4.946 18728 3815 1 4 . 1 1 146 146 ARG HA H 146 4.294 4.294 4.269 0.025 18728 3816 1 4 . 1 1 146 146 ARG CA C 146 56.365 56.365 56.499 -0.134 18728 3817 1 4 . 1 1 146 146 ARG CB C 146 30.786 30.786 29.504 1.282 18728 3818 1 4 . 1 1 146 146 ARG H H 146 8.095 8.095 8.748 -0.653 18728 3819 1 4 . 1 1 147 147 GLY N N 147 110.572 110.572 106.645 3.927 18728 3820 1 4 . 1 1 147 147 GLY C C 147 173.384 173.384 173.285 0.099 18728 3821 1 4 . 1 1 147 147 GLY CA C 147 45.440 45.440 45.187 0.253 18728 3822 1 4 . 1 1 147 147 GLY H H 147 8.401 8.401 8.524 -0.123 18728 3823 1 4 . 1 1 148 148 PHE N N 148 114.199 114.199 113.894 0.305 18728 3824 1 4 . 1 1 148 148 PHE HA H 148 5.194 5.194 5.397 -0.203 18728 3825 1 4 . 1 1 148 148 PHE C C 148 172.409 172.409 172.738 -0.329 18728 3826 1 4 . 1 1 148 148 PHE CA C 148 55.282 55.282 55.098 0.184 18728 3827 1 4 . 1 1 148 148 PHE CB C 148 41.869 41.869 40.840 1.029 18728 3828 1 4 . 1 1 148 148 PHE H H 148 7.255 7.255 7.060 0.195 18728 3829 1 4 . 1 1 149 149 ALA N N 149 121.427 121.427 120.016 1.411 18728 3830 1 4 . 1 1 149 149 ALA HA H 149 4.966 4.966 4.751 0.215 18728 3831 1 4 . 1 1 149 149 ALA C C 149 174.084 174.084 174.467 -0.383 18728 3832 1 4 . 1 1 149 149 ALA CA C 149 49.755 49.755 50.727 -0.972 18728 3833 1 4 . 1 1 149 149 ALA CB C 149 25.094 25.094 22.623 2.471 18728 3834 1 4 . 1 1 149 149 ALA H H 149 8.786 8.786 8.823 -0.037 18728 3835 1 4 . 1 1 150 150 PHE N N 150 114.425 114.425 115.875 -1.450 18728 3836 1 4 . 1 1 150 150 PHE HA H 150 5.874 5.874 5.472 0.402 18728 3837 1 4 . 1 1 150 150 PHE C C 150 176.196 176.196 174.395 1.801 18728 3838 1 4 . 1 1 150 150 PHE CA C 150 56.070 56.070 56.903 -0.833 18728 3839 1 4 . 1 1 150 150 PHE CB C 150 43.251 43.251 44.355 -1.104 18728 3840 1 4 . 1 1 150 150 PHE H H 150 8.689 8.689 9.089 -0.400 18728 3841 1 4 . 1 1 151 151 VAL N N 151 122.489 122.489 121.003 1.486 18728 3842 1 4 . 1 1 151 151 VAL HA H 151 4.375 4.375 4.467 -0.092 18728 3843 1 4 . 1 1 151 151 VAL C C 151 173.932 173.932 174.791 -0.859 18728 3844 1 4 . 1 1 151 151 VAL CA C 151 61.454 61.454 61.281 0.173 18728 3845 1 4 . 1 1 151 151 VAL CB C 151 33.869 33.869 34.458 -0.589 18728 3846 1 4 . 1 1 151 151 VAL H H 151 8.559 8.559 8.805 -0.246 18728 3847 1 4 . 1 1 152 152 THR N N 152 123.112 123.112 123.702 -0.590 18728 3848 1 4 . 1 1 152 152 THR HA H 152 4.995 4.995 4.693 0.302 18728 3849 1 4 . 1 1 152 152 THR C C 152 174.047 174.047 173.563 0.484 18728 3850 1 4 . 1 1 152 152 THR CA C 152 61.931 61.931 62.739 -0.808 18728 3851 1 4 . 1 1 152 152 THR CB C 152 69.689 69.689 69.682 0.007 18728 3852 1 4 . 1 1 152 152 THR H H 152 8.723 8.723 8.758 -0.035 18728 3853 1 4 . 1 1 153 153 PHE N N 153 127.746 127.746 126.631 1.115 18728 3854 1 4 . 1 1 153 153 PHE HA H 153 4.840 4.840 4.535 0.305 18728 3855 1 4 . 1 1 153 153 PHE C C 153 174.720 174.720 175.075 -0.355 18728 3856 1 4 . 1 1 153 153 PHE CA C 153 58.098 58.098 58.388 -0.290 18728 3857 1 4 . 1 1 153 153 PHE CB C 153 41.706 41.706 41.512 0.194 18728 3858 1 4 . 1 1 153 153 PHE H H 153 9.368 9.368 9.090 0.278 18728 3859 1 4 . 1 1 154 154 ASP N N 154 118.371 118.371 120.173 -1.802 18728 3860 1 4 . 1 1 154 154 ASP HA H 154 4.486 4.486 4.577 -0.091 18728 3861 1 4 . 1 1 154 154 ASP C C 154 175.668 175.668 175.353 0.315 18728 3862 1 4 . 1 1 154 154 ASP CA C 154 56.114 56.114 56.434 -0.320 18728 3863 1 4 . 1 1 154 154 ASP CB C 154 42.576 42.576 42.657 -0.081 18728 3864 1 4 . 1 1 154 154 ASP H H 154 8.196 8.196 8.999 -0.803 18728 3865 1 4 . 1 1 155 155 ASP N N 155 117.144 117.144 117.040 0.104 18728 3866 1 4 . 1 1 155 155 ASP HA H 155 4.909 4.909 4.900 0.009 18728 3867 1 4 . 1 1 155 155 ASP C C 155 176.392 176.392 175.573 0.819 18728 3868 1 4 . 1 1 155 155 ASP CA C 155 52.615 52.615 52.558 0.057 18728 3869 1 4 . 1 1 155 155 ASP CB C 155 44.471 44.471 44.066 0.406 18728 3870 1 4 . 1 1 155 155 ASP H H 155 8.323 8.323 7.695 0.628 18728 3871 1 4 . 1 1 156 156 HIS N N 156 121.508 121.508 118.784 2.724 18728 3872 1 4 . 1 1 156 156 HIS HA H 156 4.336 4.336 4.596 -0.260 18728 3873 1 4 . 1 1 156 156 HIS C C 156 176.855 176.855 176.163 0.692 18728 3874 1 4 . 1 1 156 156 HIS CA C 156 58.593 58.593 57.327 1.266 18728 3875 1 4 . 1 1 156 156 HIS CB C 156 29.703 29.703 29.994 -0.291 18728 3876 1 4 . 1 1 156 156 HIS H H 156 8.492 8.492 8.565 -0.073 18728 3877 1 4 . 1 1 157 157 ASP N N 157 122.539 122.539 120.155 2.384 18728 3878 1 4 . 1 1 157 157 ASP HA H 157 4.254 4.254 4.210 0.044 18728 3879 1 4 . 1 1 157 157 ASP C C 157 178.233 178.233 178.182 0.051 18728 3880 1 4 . 1 1 157 157 ASP CA C 157 57.047 57.047 57.397 -0.350 18728 3881 1 4 . 1 1 157 157 ASP CB C 157 40.875 40.875 40.113 0.762 18728 3882 1 4 . 1 1 157 157 ASP H H 157 8.345 8.345 8.514 -0.169 18728 3883 1 4 . 1 1 158 158 SER N N 158 113.623 113.623 114.207 -0.584 18728 3884 1 4 . 1 1 158 158 SER HA H 158 3.899 3.899 4.157 -0.258 18728 3885 1 4 . 1 1 158 158 SER C C 158 174.750 174.750 175.703 -0.953 18728 3886 1 4 . 1 1 158 158 SER CA C 158 61.914 61.914 60.855 1.059 18728 3887 1 4 . 1 1 158 158 SER CB C 158 63.088 63.088 62.410 0.679 18728 3888 1 4 . 1 1 158 158 SER H H 158 7.424 7.424 7.782 -0.358 18728 3889 1 4 . 1 1 159 159 VAL N N 159 118.448 118.448 122.726 -4.278 18728 3890 1 4 . 1 1 159 159 VAL HA H 159 2.913 2.913 3.376 -0.463 18728 3891 1 4 . 1 1 159 159 VAL C C 159 177.269 177.269 177.246 0.023 18728 3892 1 4 . 1 1 159 159 VAL CA C 159 66.512 66.512 66.199 0.313 18728 3893 1 4 . 1 1 159 159 VAL CB C 159 31.395 31.395 31.186 0.209 18728 3894 1 4 . 1 1 159 159 VAL H H 159 6.484 6.484 7.151 -0.667 18728 3895 1 4 . 1 1 160 160 ASP N N 160 119.064 119.064 119.386 -0.322 18728 3896 1 4 . 1 1 160 160 ASP HA H 160 4.275 4.275 4.415 -0.140 18728 3897 1 4 . 1 1 160 160 ASP C C 160 178.284 178.284 178.755 -0.471 18728 3898 1 4 . 1 1 160 160 ASP CA C 160 57.798 57.798 57.318 0.480 18728 3899 1 4 . 1 1 160 160 ASP CB C 160 40.288 40.288 40.990 -0.702 18728 3900 1 4 . 1 1 160 160 ASP H H 160 7.663 7.663 8.275 -0.612 18728 3901 1 4 . 1 1 161 161 LYS N N 161 116.568 116.568 119.237 -2.669 18728 3902 1 4 . 1 1 161 161 LYS HA H 161 4.030 4.030 4.088 -0.058 18728 3903 1 4 . 1 1 161 161 LYS C C 161 178.205 178.205 178.464 -0.259 18728 3904 1 4 . 1 1 161 161 LYS CA C 161 58.796 58.796 59.084 -0.288 18728 3905 1 4 . 1 1 161 161 LYS CB C 161 33.298 33.298 32.513 0.785 18728 3906 1 4 . 1 1 161 161 LYS H H 161 7.465 7.465 7.604 -0.139 18728 3907 1 4 . 1 1 162 162 ILE N N 162 119.457 119.457 117.513 1.944 18728 3908 1 4 . 1 1 162 162 ILE HA H 162 3.241 3.241 3.632 -0.391 18728 3909 1 4 . 1 1 162 162 ILE C C 162 179.129 179.129 178.023 1.106 18728 3910 1 4 . 1 1 162 162 ILE CA C 162 65.201 65.201 64.320 0.881 18728 3911 1 4 . 1 1 162 162 ILE CB C 162 39.170 39.170 38.730 0.440 18728 3912 1 4 . 1 1 162 162 ILE H H 162 7.367 7.367 7.224 0.143 18728 3913 1 4 . 1 1 163 163 VAL N N 163 109.705 109.705 116.439 -6.734 18728 3914 1 4 . 1 1 163 163 VAL HA H 163 4.093 4.093 3.948 0.145 18728 3915 1 4 . 1 1 163 163 VAL C C 163 176.685 176.685 176.791 -0.106 18728 3916 1 4 . 1 1 163 163 VAL CA C 163 64.137 64.137 64.926 -0.789 18728 3917 1 4 . 1 1 163 163 VAL CB C 163 30.720 30.720 31.368 -0.648 18728 3918 1 4 . 1 1 163 163 VAL H H 163 7.814 7.814 7.700 0.114 18728 3919 1 4 . 1 1 164 164 ILE N N 164 118.885 118.885 118.818 0.067 18728 3920 1 4 . 1 1 164 164 ILE HA H 164 3.968 3.968 3.814 0.154 18728 3921 1 4 . 1 1 164 164 ILE C C 164 176.006 176.006 176.244 -0.238 18728 3922 1 4 . 1 1 164 164 ILE CA C 164 63.328 63.328 63.841 -0.513 18728 3923 1 4 . 1 1 164 164 ILE CB C 164 38.136 38.136 38.144 -0.008 18728 3924 1 4 . 1 1 164 164 ILE H H 164 6.979 6.979 7.351 -0.372 18728 3925 1 4 . 1 1 165 165 GLN N N 165 120.509 120.509 117.436 3.073 18728 3926 1 4 . 1 1 165 165 GLN HA H 165 4.472 4.472 4.466 0.006 18728 3927 1 4 . 1 1 165 165 GLN C C 165 174.808 174.808 175.210 -0.402 18728 3928 1 4 . 1 1 165 165 GLN CA C 165 54.743 54.743 54.443 0.300 18728 3929 1 4 . 1 1 165 165 GLN CB C 165 30.183 30.183 28.915 1.268 18728 3930 1 4 . 1 1 165 165 GLN H H 165 7.490 7.490 7.902 -0.412 18728 3931 1 4 . 1 1 166 166 LYS N N 166 122.953 122.953 124.120 -1.167 18728 3932 1 4 . 1 1 166 166 LYS HA H 166 3.992 3.992 3.946 0.046 18728 3933 1 4 . 1 1 166 166 LYS C C 166 175.496 175.496 175.686 -0.190 18728 3934 1 4 . 1 1 166 166 LYS CA C 166 59.718 59.718 59.143 0.575 18728 3935 1 4 . 1 1 166 166 LYS CB C 166 33.115 33.115 33.037 0.078 18728 3936 1 4 . 1 1 166 166 LYS H H 166 8.085 8.085 8.756 -0.671 18728 3937 1 4 . 1 1 167 167 TYR N N 167 114.210 114.210 114.381 -0.171 18728 3938 1 4 . 1 1 167 167 TYR HA H 167 5.457 5.457 5.522 -0.065 18728 3939 1 4 . 1 1 167 167 TYR C C 167 175.593 175.593 175.755 -0.162 18728 3940 1 4 . 1 1 167 167 TYR CA C 167 56.417 56.417 56.745 -0.328 18728 3941 1 4 . 1 1 167 167 TYR CB C 167 40.057 40.057 41.136 -1.079 18728 3942 1 4 . 1 1 167 167 TYR H H 167 7.740 7.740 7.673 0.067 18728 3943 1 4 . 1 1 168 168 HIS N N 168 122.617 122.617 122.040 0.577 18728 3944 1 4 . 1 1 168 168 HIS HA H 168 4.526 4.526 5.092 -0.566 18728 3945 1 4 . 1 1 168 168 HIS C C 168 174.213 174.213 174.607 -0.394 18728 3946 1 4 . 1 1 168 168 HIS CA C 168 55.233 55.233 55.171 0.062 18728 3947 1 4 . 1 1 168 168 HIS CB C 168 34.906 34.906 34.013 0.893 18728 3948 1 4 . 1 1 168 168 HIS H H 168 9.035 9.035 9.394 -0.359 18728 3949 1 4 . 1 1 169 169 THR N N 169 121.981 121.981 120.837 1.144 18728 3950 1 4 . 1 1 169 169 THR HA H 169 4.722 4.722 4.683 0.039 18728 3951 1 4 . 1 1 169 169 THR C C 169 172.973 172.973 173.936 -0.963 18728 3952 1 4 . 1 1 169 169 THR CA C 169 61.620 61.620 62.383 -0.763 18728 3953 1 4 . 1 1 169 169 THR CB C 169 68.692 68.692 68.840 -0.148 18728 3954 1 4 . 1 1 169 169 THR H H 169 8.784 8.784 8.608 0.176 18728 3955 1 4 . 1 1 170 170 VAL N N 170 125.540 125.540 127.265 -1.725 18728 3956 1 4 . 1 1 170 170 VAL HA H 170 3.751 3.751 3.860 -0.109 18728 3957 1 4 . 1 1 170 170 VAL C C 170 175.997 175.997 175.859 0.138 18728 3958 1 4 . 1 1 170 170 VAL CA C 170 60.770 60.770 60.501 0.269 18728 3959 1 4 . 1 1 170 170 VAL CB C 170 34.216 34.216 33.438 0.778 18728 3960 1 4 . 1 1 170 170 VAL H H 170 8.268 8.268 8.784 -0.516 18728 3961 1 4 . 1 1 171 171 ASN N N 171 126.811 126.811 126.714 0.097 18728 3962 1 4 . 1 1 171 171 ASN HA H 171 4.065 4.065 4.235 -0.170 18728 3963 1 4 . 1 1 171 171 ASN C C 171 174.266 174.266 175.267 -1.001 18728 3964 1 4 . 1 1 171 171 ASN CA C 171 53.184 53.184 53.625 -0.441 18728 3965 1 4 . 1 1 171 171 ASN CB C 171 37.436 37.436 37.607 -0.171 18728 3966 1 4 . 1 1 171 171 ASN H H 171 9.437 9.437 9.075 0.362 18728 3967 1 4 . 1 1 172 172 GLY N N 172 100.629 100.629 103.410 -2.781 18728 3968 1 4 . 1 1 172 172 GLY C C 172 173.335 173.335 173.912 -0.577 18728 3969 1 4 . 1 1 172 172 GLY CA C 172 45.154 45.154 45.260 -0.106 18728 3970 1 4 . 1 1 172 172 GLY H H 172 8.194 8.194 8.252 -0.058 18728 3971 1 4 . 1 1 173 173 HIS N N 173 119.555 119.555 120.902 -1.347 18728 3972 1 4 . 1 1 173 173 HIS HA H 173 4.860 4.860 4.665 0.195 18728 3973 1 4 . 1 1 173 173 HIS CA C 173 53.723 53.723 54.826 -1.103 18728 3974 1 4 . 1 1 173 173 HIS CB C 173 31.589 31.589 31.578 0.011 18728 3975 1 4 . 1 1 173 173 HIS H H 173 7.657 7.657 7.968 -0.311 18728 3976 1 4 . 1 1 174 174 ASN N N 174 122.936 122.936 125.735 -2.799 18728 3977 1 4 . 1 1 174 174 ASN HA H 174 4.794 4.794 5.179 -0.385 18728 3978 1 4 . 1 1 174 174 ASN C C 174 174.918 174.918 174.873 0.045 18728 3979 1 4 . 1 1 174 174 ASN CA C 174 53.748 53.748 53.319 0.429 18728 3980 1 4 . 1 1 174 174 ASN CB C 174 38.185 38.185 38.810 -0.625 18728 3981 1 4 . 1 1 174 174 ASN H H 174 8.828 8.828 8.320 0.508 18728 3982 1 4 . 1 1 175 175 CYS N N 175 126.425 126.425 122.552 3.873 18728 3983 1 4 . 1 1 175 175 CYS HA H 175 4.872 4.872 4.757 0.115 18728 3984 1 4 . 1 1 175 175 CYS C C 175 173.853 173.853 173.868 -0.015 18728 3985 1 4 . 1 1 175 175 CYS CA C 175 59.380 59.380 56.569 2.811 18728 3986 1 4 . 1 1 175 175 CYS CB C 175 29.966 29.966 30.778 -0.812 18728 3987 1 4 . 1 1 175 175 CYS H H 175 9.078 9.078 9.123 -0.045 18728 3988 1 4 . 1 1 176 176 GLU N N 176 124.488 124.488 122.096 2.392 18728 3989 1 4 . 1 1 176 176 GLU HA H 176 4.661 4.661 4.820 -0.159 18728 3990 1 4 . 1 1 176 176 GLU C C 176 175.343 175.343 175.271 0.072 18728 3991 1 4 . 1 1 176 176 GLU CA C 176 55.296 55.296 55.260 0.036 18728 3992 1 4 . 1 1 176 176 GLU CB C 176 31.550 31.550 30.937 0.613 18728 3993 1 4 . 1 1 176 176 GLU H H 176 8.161 8.161 8.856 -0.695 18728 3994 1 4 . 1 1 177 177 VAL N N 177 122.521 122.521 125.999 -3.478 18728 3995 1 4 . 1 1 177 177 VAL HA H 177 5.628 5.628 5.480 0.148 18728 3996 1 4 . 1 1 177 177 VAL C C 177 175.720 175.720 174.391 1.329 18728 3997 1 4 . 1 1 177 177 VAL CA C 177 59.713 59.713 60.397 -0.684 18728 3998 1 4 . 1 1 177 177 VAL CB C 177 34.523 34.523 34.727 -0.204 18728 3999 1 4 . 1 1 177 177 VAL H H 177 8.684 8.684 8.789 -0.105 18728 4000 1 4 . 1 1 178 178 ARG N N 178 119.915 119.915 123.785 -3.870 18728 4001 1 4 . 1 1 178 178 ARG HA H 178 4.746 4.746 4.718 0.028 18728 4002 1 4 . 1 1 178 178 ARG C C 178 175.689 175.689 174.488 1.201 18728 4003 1 4 . 1 1 178 178 ARG CA C 178 54.212 54.212 54.231 -0.019 18728 4004 1 4 . 1 1 178 178 ARG CB C 178 34.184 34.184 33.485 0.699 18728 4005 1 4 . 1 1 178 178 ARG H H 178 8.701 8.701 8.821 -0.120 18728 4006 1 4 . 1 1 179 179 LYS N N 179 121.001 121.001 121.405 -0.404 18728 4007 1 4 . 1 1 179 179 LYS HA H 179 4.098 4.098 4.311 -0.213 18728 4008 1 4 . 1 1 179 179 LYS C C 179 176.026 176.026 176.062 -0.036 18728 4009 1 4 . 1 1 179 179 LYS CA C 179 59.027 59.027 56.862 2.165 18728 4010 1 4 . 1 1 179 179 LYS CB C 179 33.377 33.377 31.589 1.788 18728 4011 1 4 . 1 1 179 179 LYS H H 179 8.990 8.990 8.552 0.438 18728 4012 1 4 . 1 1 180 180 ALA N N 180 126.810 126.810 128.751 -1.941 18728 4013 1 4 . 1 1 180 180 ALA HA H 180 4.565 4.565 4.651 -0.086 18728 4014 1 4 . 1 1 180 180 ALA C C 180 175.318 175.318 175.904 -0.586 18728 4015 1 4 . 1 1 180 180 ALA CA C 180 51.432 51.432 50.985 0.447 18728 4016 1 4 . 1 1 180 180 ALA CB C 180 19.201 19.201 20.154 -0.952 18728 4017 1 4 . 1 1 180 180 ALA H H 180 8.378 8.378 8.569 -0.191 18728 4018 1 4 . 1 1 181 181 LEU N N 181 122.300 122.300 124.920 -2.620 18728 4019 1 4 . 1 1 181 181 LEU HA H 181 4.401 4.401 4.654 -0.253 18728 4020 1 4 . 1 1 181 181 LEU CA C 181 54.737 54.737 53.668 1.069 18728 4021 1 4 . 1 1 181 181 LEU CB C 181 43.199 43.199 43.810 -0.612 18728 4022 1 4 . 1 1 181 181 LEU H H 181 8.001 8.001 8.477 -0.476 18728 4023 1 4 . 1 1 182 182 SER HA H 182 4.406 4.406 4.428 -0.022 18728 4024 1 4 . 1 1 182 182 SER CA C 182 58.100 58.100 57.870 0.230 18728 4025 1 4 . 1 1 182 182 SER CB C 182 64.440 64.440 64.900 -0.460 18728 4026 1 4 . 1 1 183 183 LYS HA H 183 4.101 4.101 3.993 0.108 18728 4027 1 4 . 1 1 183 183 LYS C C 183 177.343 177.343 178.589 -1.246 18728 4028 1 4 . 1 1 183 183 LYS CA C 183 57.744 57.744 59.078 -1.333 18728 4029 1 4 . 1 1 183 183 LYS CB C 183 32.586 32.586 32.024 0.562 18728 4030 1 4 . 1 1 184 184 GLN N N 184 120.056 120.056 118.563 1.493 18728 4031 1 4 . 1 1 184 184 GLN HA H 184 4.167 4.167 4.452 -0.285 18728 4032 1 4 . 1 1 184 184 GLN C C 184 176.718 176.718 178.057 -1.339 18728 4033 1 4 . 1 1 184 184 GLN CA C 184 56.981 56.981 58.688 -1.706 18728 4034 1 4 . 1 1 184 184 GLN CB C 184 28.990 28.990 28.414 0.576 18728 4035 1 4 . 1 1 184 184 GLN H H 184 8.320 8.320 8.657 -0.337 18728 4036 1 4 . 1 1 185 185 GLU N N 185 121.610 121.610 117.386 4.224 18728 4037 1 4 . 1 1 185 185 GLU HA H 185 4.132 4.132 4.185 -0.053 18728 4038 1 4 . 1 1 185 185 GLU C C 185 177.117 177.117 178.031 -0.914 18728 4039 1 4 . 1 1 185 185 GLU CA C 185 57.234 57.234 57.841 -0.607 18728 4040 1 4 . 1 1 185 185 GLU CB C 185 30.235 30.235 29.839 0.396 18728 4041 1 4 . 1 1 185 185 GLU H H 185 8.143 8.143 7.603 0.540 18728 4042 1 4 . 1 1 186 186 MET N N 186 120.092 120.092 118.364 1.728 18728 4043 1 4 . 1 1 186 186 MET HA H 186 4.289 4.289 4.308 -0.019 18728 4044 1 4 . 1 1 186 186 MET C C 186 176.438 176.438 177.026 -0.588 18728 4045 1 4 . 1 1 186 186 MET CA C 186 56.069 56.069 57.859 -1.790 18728 4046 1 4 . 1 1 186 186 MET CB C 186 32.847 32.847 33.327 -0.480 18728 4047 1 4 . 1 1 186 186 MET H H 186 8.195 8.195 7.830 0.365 18728 4048 1 4 . 1 1 187 187 ALA N N 187 124.104 124.104 120.044 4.060 18728 4049 1 4 . 1 1 187 187 ALA HA H 187 4.297 4.297 4.441 -0.144 18728 4050 1 4 . 1 1 187 187 ALA C C 187 178.107 178.107 177.405 0.702 18728 4051 1 4 . 1 1 187 187 ALA CA C 187 52.912 52.912 52.917 -0.005 18728 4052 1 4 . 1 1 187 187 ALA CB C 187 19.060 19.060 20.030 -0.970 18728 4053 1 4 . 1 1 187 187 ALA H H 187 8.060 8.060 7.791 0.269 18728 4054 1 4 . 1 1 188 188 SER N N 188 114.374 114.374 112.378 1.996 18728 4055 1 4 . 1 1 188 188 SER HA H 188 4.357 4.357 4.550 -0.193 18728 4056 1 4 . 1 1 188 188 SER C C 188 174.757 174.757 173.521 1.236 18728 4057 1 4 . 1 1 188 188 SER CA C 188 58.598 58.598 56.954 1.644 18728 4058 1 4 . 1 1 188 188 SER CB C 188 63.734 63.734 65.272 -1.538 18728 4059 1 4 . 1 1 188 188 SER H H 188 8.173 8.173 7.651 0.522 18728 4060 1 4 . 1 1 189 189 ALA N N 189 125.637 125.637 124.341 1.296 18728 4061 1 4 . 1 1 189 189 ALA HA H 189 4.246 4.246 4.229 0.017 18728 4062 1 4 . 1 1 189 189 ALA CA C 189 53.015 53.015 52.815 0.200 18728 4063 1 4 . 1 1 189 189 ALA CB C 189 19.069 19.069 17.956 1.113 18728 4064 1 4 . 1 1 189 189 ALA H H 189 8.207 8.207 8.406 -0.199 18728 4065 1 5 . 1 1 5 5 GLU N N 5 122.509 122.509 122.669 -0.160 18728 4066 1 5 . 1 1 5 5 GLU HA H 5 4.345 4.345 4.407 -0.062 18728 4067 1 5 . 1 1 5 5 GLU C C 5 176.240 176.240 176.097 0.143 18728 4068 1 5 . 1 1 5 5 GLU CA C 5 56.190 56.190 56.564 -0.374 18728 4069 1 5 . 1 1 5 5 GLU CB C 5 30.611 30.611 30.570 0.041 18728 4070 1 5 . 1 1 5 5 GLU H H 5 8.321 8.321 8.198 0.123 18728 4071 1 5 . 1 1 6 6 SER N N 6 118.728 118.728 119.444 -0.716 18728 4072 1 5 . 1 1 6 6 SER HA H 6 4.342 4.342 4.582 -0.240 18728 4073 1 5 . 1 1 6 6 SER CA C 6 56.305 56.305 56.801 -0.496 18728 4074 1 5 . 1 1 6 6 SER CB C 6 63.241 63.241 63.024 0.217 18728 4075 1 5 . 1 1 6 6 SER H H 6 8.349 8.349 8.398 -0.049 18728 4076 1 5 . 1 1 7 7 PRO HA H 7 4.427 4.427 4.374 0.053 18728 4077 1 5 . 1 1 7 7 PRO C C 7 177.027 177.027 176.584 0.443 18728 4078 1 5 . 1 1 7 7 PRO CA C 7 63.271 63.271 63.101 0.170 18728 4079 1 5 . 1 1 7 7 PRO CB C 7 32.111 32.111 32.348 -0.237 18728 4080 1 5 . 1 1 8 8 LYS N N 8 121.819 121.819 123.364 -1.545 18728 4081 1 5 . 1 1 8 8 LYS HA H 8 4.290 4.290 4.487 -0.197 18728 4082 1 5 . 1 1 8 8 LYS C C 8 177.015 177.015 176.130 0.885 18728 4083 1 5 . 1 1 8 8 LYS CA C 8 56.455 56.455 56.452 0.003 18728 4084 1 5 . 1 1 8 8 LYS CB C 8 33.341 33.341 32.398 0.943 18728 4085 1 5 . 1 1 8 8 LYS H H 8 8.445 8.445 8.652 -0.207 18728 4086 1 5 . 1 1 9 9 GLU N N 9 121.243 121.243 120.122 1.121 18728 4087 1 5 . 1 1 9 9 GLU HA H 9 4.606 4.606 4.857 -0.251 18728 4088 1 5 . 1 1 9 9 GLU CA C 9 54.480 54.480 53.308 1.172 18728 4089 1 5 . 1 1 9 9 GLU CB C 9 29.572 29.572 29.904 -0.332 18728 4090 1 5 . 1 1 9 9 GLU H H 9 8.313 8.313 7.752 0.561 18728 4091 1 5 . 1 1 10 10 PRO HA H 10 4.335 4.335 4.599 -0.264 18728 4092 1 5 . 1 1 10 10 PRO C C 10 177.491 177.491 177.610 -0.119 18728 4093 1 5 . 1 1 10 10 PRO CA C 10 63.587 63.587 62.184 1.403 18728 4094 1 5 . 1 1 10 10 PRO CB C 10 32.374 32.374 33.369 -0.995 18728 4095 1 5 . 1 1 11 11 GLU N N 11 123.071 123.071 121.065 2.006 18728 4096 1 5 . 1 1 11 11 GLU HA H 11 3.686 3.686 3.911 -0.225 18728 4097 1 5 . 1 1 11 11 GLU C C 11 177.984 177.984 177.986 -0.002 18728 4098 1 5 . 1 1 11 11 GLU CA C 11 59.651 59.651 59.911 -0.260 18728 4099 1 5 . 1 1 11 11 GLU CB C 11 29.819 29.819 28.652 1.167 18728 4100 1 5 . 1 1 11 11 GLU H H 11 8.692 8.692 8.899 -0.207 18728 4101 1 5 . 1 1 12 12 GLN N N 12 116.079 116.079 114.983 1.096 18728 4102 1 5 . 1 1 12 12 GLN HA H 12 3.979 3.979 4.149 -0.170 18728 4103 1 5 . 1 1 12 12 GLN C C 12 177.579 177.579 176.891 0.688 18728 4104 1 5 . 1 1 12 12 GLN CA C 12 58.526 58.526 58.229 0.297 18728 4105 1 5 . 1 1 12 12 GLN CB C 12 28.112 28.112 28.124 -0.012 18728 4106 1 5 . 1 1 12 12 GLN H H 12 8.647 8.647 8.370 0.277 18728 4107 1 5 . 1 1 13 13 LEU N N 13 116.530 116.530 117.804 -1.274 18728 4108 1 5 . 1 1 13 13 LEU HA H 13 4.264 4.264 4.406 -0.142 18728 4109 1 5 . 1 1 13 13 LEU C C 13 177.080 177.080 177.464 -0.384 18728 4110 1 5 . 1 1 13 13 LEU CA C 13 55.945 55.945 55.937 0.008 18728 4111 1 5 . 1 1 13 13 LEU CB C 13 42.317 42.317 42.661 -0.344 18728 4112 1 5 . 1 1 13 13 LEU H H 13 7.471 7.471 7.652 -0.181 18728 4113 1 5 . 1 1 14 14 ARG N N 14 116.981 116.981 114.261 2.720 18728 4114 1 5 . 1 1 14 14 ARG HA H 14 4.417 4.417 4.519 -0.102 18728 4115 1 5 . 1 1 14 14 ARG C C 14 172.996 172.996 175.778 -2.782 18728 4116 1 5 . 1 1 14 14 ARG CA C 14 56.067 56.067 55.731 0.336 18728 4117 1 5 . 1 1 14 14 ARG CB C 14 29.944 29.944 31.196 -1.252 18728 4118 1 5 . 1 1 14 14 ARG H H 14 7.576 7.576 7.585 -0.009 18728 4119 1 5 . 1 1 15 15 LYS N N 15 119.990 119.990 122.117 -2.127 18728 4120 1 5 . 1 1 15 15 LYS HA H 15 5.198 5.198 5.103 0.095 18728 4121 1 5 . 1 1 15 15 LYS CA C 15 55.301 55.301 55.513 -0.212 18728 4122 1 5 . 1 1 15 15 LYS CB C 15 35.888 35.888 35.223 0.665 18728 4123 1 5 . 1 1 15 15 LYS H H 15 6.946 6.946 7.882 -0.936 18728 4124 1 5 . 1 1 16 16 LEU N N 16 126.081 126.081 123.277 2.804 18728 4125 1 5 . 1 1 16 16 LEU HA H 16 5.016 5.016 5.404 -0.388 18728 4126 1 5 . 1 1 16 16 LEU C C 16 176.309 176.309 175.812 0.497 18728 4127 1 5 . 1 1 16 16 LEU CA C 16 53.334 53.334 52.404 0.930 18728 4128 1 5 . 1 1 16 16 LEU CB C 16 45.062 45.062 44.507 0.555 18728 4129 1 5 . 1 1 16 16 LEU H H 16 9.605 9.605 9.039 0.566 18728 4130 1 5 . 1 1 17 17 PHE N N 17 123.569 123.569 124.978 -1.409 18728 4131 1 5 . 1 1 17 17 PHE HA H 17 4.585 4.585 5.092 -0.507 18728 4132 1 5 . 1 1 17 17 PHE C C 17 174.362 174.362 174.181 0.181 18728 4133 1 5 . 1 1 17 17 PHE CA C 17 57.153 57.153 55.693 1.460 18728 4134 1 5 . 1 1 17 17 PHE CB C 17 40.603 40.603 41.120 -0.517 18728 4135 1 5 . 1 1 17 17 PHE H H 17 9.023 9.023 9.380 -0.357 18728 4136 1 5 . 1 1 18 18 ILE N N 18 126.932 126.932 128.213 -1.281 18728 4137 1 5 . 1 1 18 18 ILE HA H 18 4.029 4.029 4.234 -0.205 18728 4138 1 5 . 1 1 18 18 ILE C C 18 173.832 173.832 175.058 -1.226 18728 4139 1 5 . 1 1 18 18 ILE CA C 18 59.156 59.156 58.075 1.081 18728 4140 1 5 . 1 1 18 18 ILE CB C 18 36.909 36.909 36.609 0.299 18728 4141 1 5 . 1 1 18 18 ILE H H 18 8.486 8.486 8.487 -0.001 18728 4142 1 5 . 1 1 19 19 GLY N N 19 112.953 112.953 112.854 0.099 18728 4143 1 5 . 1 1 19 19 GLY C C 19 174.426 174.426 173.867 0.559 18728 4144 1 5 . 1 1 19 19 GLY CA C 19 43.611 43.611 43.176 0.435 18728 4145 1 5 . 1 1 19 19 GLY H H 19 7.948 7.948 8.828 -0.880 18728 4146 1 5 . 1 1 20 20 GLY N N 20 107.584 107.584 110.739 -3.155 18728 4147 1 5 . 1 1 20 20 GLY C C 20 175.563 175.563 174.391 1.172 18728 4148 1 5 . 1 1 20 20 GLY CA C 20 46.530 46.530 45.121 1.409 18728 4149 1 5 . 1 1 20 20 GLY H H 20 8.542 8.542 8.144 0.398 18728 4150 1 5 . 1 1 21 21 LEU N N 21 115.232 115.232 119.419 -4.187 18728 4151 1 5 . 1 1 21 21 LEU HA H 21 4.025 4.025 4.154 -0.129 18728 4152 1 5 . 1 1 21 21 LEU C C 21 179.121 179.121 176.361 2.760 18728 4153 1 5 . 1 1 21 21 LEU CA C 21 54.192 54.192 54.595 -0.403 18728 4154 1 5 . 1 1 21 21 LEU CB C 21 42.892 42.892 42.498 0.394 18728 4155 1 5 . 1 1 21 21 LEU H H 21 7.472 7.472 7.850 -0.378 18728 4156 1 5 . 1 1 22 22 SER N N 22 114.737 114.737 114.341 0.396 18728 4157 1 5 . 1 1 22 22 SER HA H 22 4.125 4.125 4.261 -0.136 18728 4158 1 5 . 1 1 22 22 SER C C 22 177.842 177.842 175.612 2.230 18728 4159 1 5 . 1 1 22 22 SER CA C 22 57.635 57.635 57.927 -0.292 18728 4160 1 5 . 1 1 22 22 SER CB C 22 63.106 63.106 65.107 -2.001 18728 4161 1 5 . 1 1 22 22 SER H H 22 9.136 9.136 7.838 1.298 18728 4162 1 5 . 1 1 23 23 PHE N N 23 128.194 128.194 118.528 9.666 18728 4163 1 5 . 1 1 23 23 PHE HA H 23 4.307 4.307 4.422 -0.115 18728 4164 1 5 . 1 1 23 23 PHE C C 23 175.626 175.626 176.048 -0.422 18728 4165 1 5 . 1 1 23 23 PHE CA C 23 60.205 60.205 59.640 0.565 18728 4166 1 5 . 1 1 23 23 PHE CB C 23 37.570 37.570 38.767 -1.196 18728 4167 1 5 . 1 1 23 23 PHE H H 23 9.034 9.034 8.864 0.170 18728 4168 1 5 . 1 1 24 24 GLU N N 24 116.093 116.093 115.324 0.769 18728 4169 1 5 . 1 1 24 24 GLU HA H 24 4.255 4.255 4.588 -0.333 18728 4170 1 5 . 1 1 24 24 GLU C C 24 177.429 177.429 176.288 1.141 18728 4171 1 5 . 1 1 24 24 GLU CA C 24 56.522 56.522 55.334 1.188 18728 4172 1 5 . 1 1 24 24 GLU CB C 24 29.980 29.980 30.834 -0.854 18728 4173 1 5 . 1 1 24 24 GLU H H 24 8.295 8.295 7.712 0.583 18728 4174 1 5 . 1 1 25 25 THR N N 25 118.836 118.836 118.217 0.619 18728 4175 1 5 . 1 1 25 25 THR HA H 25 4.091 4.091 4.746 -0.655 18728 4176 1 5 . 1 1 25 25 THR C C 25 174.238 174.238 174.349 -0.111 18728 4177 1 5 . 1 1 25 25 THR CA C 25 64.862 64.862 64.169 0.693 18728 4178 1 5 . 1 1 25 25 THR CB C 25 68.584 68.584 69.829 -1.245 18728 4179 1 5 . 1 1 25 25 THR H H 25 7.280 7.280 7.374 -0.094 18728 4180 1 5 . 1 1 26 26 THR N N 26 119.434 119.434 117.205 2.229 18728 4181 1 5 . 1 1 26 26 THR HA H 26 4.484 4.484 4.705 -0.221 18728 4182 1 5 . 1 1 26 26 THR C C 26 174.563 174.563 174.833 -0.270 18728 4183 1 5 . 1 1 26 26 THR CA C 26 59.361 59.361 59.086 0.275 18728 4184 1 5 . 1 1 26 26 THR CB C 26 72.727 72.727 71.649 1.078 18728 4185 1 5 . 1 1 26 26 THR H H 26 8.447 8.447 8.258 0.189 18728 4186 1 5 . 1 1 27 27 ASP N N 27 120.342 120.342 121.107 -0.765 18728 4187 1 5 . 1 1 27 27 ASP HA H 27 3.920 3.920 4.346 -0.426 18728 4188 1 5 . 1 1 27 27 ASP C C 27 178.347 178.347 177.611 0.736 18728 4189 1 5 . 1 1 27 27 ASP CA C 27 58.148 58.148 56.849 1.299 18728 4190 1 5 . 1 1 27 27 ASP CB C 27 39.954 39.954 40.554 -0.600 18728 4191 1 5 . 1 1 27 27 ASP H H 27 8.794 8.794 8.874 -0.080 18728 4192 1 5 . 1 1 28 28 GLU N N 28 116.494 116.494 119.362 -2.868 18728 4193 1 5 . 1 1 28 28 GLU HA H 28 3.993 3.993 4.181 -0.188 18728 4194 1 5 . 1 1 28 28 GLU C C 28 178.987 178.987 178.849 0.138 18728 4195 1 5 . 1 1 28 28 GLU CA C 28 60.281 60.281 58.965 1.316 18728 4196 1 5 . 1 1 28 28 GLU CB C 28 29.193 29.193 29.358 -0.164 18728 4197 1 5 . 1 1 28 28 GLU H H 28 8.444 8.444 8.705 -0.261 18728 4198 1 5 . 1 1 29 29 SER N N 29 120.532 120.532 116.671 3.861 18728 4199 1 5 . 1 1 29 29 SER HA H 29 4.333 4.333 4.343 -0.010 18728 4200 1 5 . 1 1 29 29 SER C C 29 178.125 178.125 176.540 1.585 18728 4201 1 5 . 1 1 29 29 SER CA C 29 61.720 61.720 61.275 0.445 18728 4202 1 5 . 1 1 29 29 SER H H 29 8.384 8.384 7.620 0.764 18728 4203 1 5 . 1 1 30 30 LEU N N 30 126.754 126.754 123.618 3.136 18728 4204 1 5 . 1 1 30 30 LEU HA H 30 4.080 4.080 4.164 -0.084 18728 4205 1 5 . 1 1 30 30 LEU C C 30 178.341 178.341 177.721 0.620 18728 4206 1 5 . 1 1 30 30 LEU CA C 30 58.073 58.073 57.678 0.395 18728 4207 1 5 . 1 1 30 30 LEU CB C 30 42.524 42.524 41.776 0.748 18728 4208 1 5 . 1 1 30 30 LEU H H 30 8.487 8.487 8.262 0.225 18728 4209 1 5 . 1 1 31 31 ARG N N 31 121.192 121.192 119.044 2.148 18728 4210 1 5 . 1 1 31 31 ARG HA H 31 3.863 3.863 3.899 -0.036 18728 4211 1 5 . 1 1 31 31 ARG C C 31 177.765 177.765 178.291 -0.526 18728 4212 1 5 . 1 1 31 31 ARG CA C 31 59.706 59.706 60.235 -0.529 18728 4213 1 5 . 1 1 31 31 ARG CB C 31 30.648 30.648 30.121 0.527 18728 4214 1 5 . 1 1 31 31 ARG H H 31 7.980 7.980 8.184 -0.204 18728 4215 1 5 . 1 1 32 32 SER N N 32 112.868 112.868 114.019 -1.151 18728 4216 1 5 . 1 1 32 32 SER HA H 32 4.104 4.104 4.110 -0.006 18728 4217 1 5 . 1 1 32 32 SER C C 32 176.416 176.416 176.543 -0.127 18728 4218 1 5 . 1 1 32 32 SER CA C 32 61.437 61.437 62.284 -0.847 18728 4219 1 5 . 1 1 32 32 SER CB C 32 62.933 62.933 63.039 -0.106 18728 4220 1 5 . 1 1 32 32 SER H H 32 8.295 8.295 8.281 0.014 18728 4221 1 5 . 1 1 33 33 HIS N N 33 115.910 115.910 120.995 -5.085 18728 4222 1 5 . 1 1 33 33 HIS HA H 33 4.346 4.346 4.338 0.008 18728 4223 1 5 . 1 1 33 33 HIS C C 33 177.510 177.510 177.623 -0.113 18728 4224 1 5 . 1 1 33 33 HIS CA C 33 60.373 60.373 59.582 0.791 18728 4225 1 5 . 1 1 33 33 HIS CB C 33 30.776 30.776 29.970 0.806 18728 4226 1 5 . 1 1 33 33 HIS H H 33 7.406 7.406 7.706 -0.300 18728 4227 1 5 . 1 1 34 34 PHE N N 34 113.562 113.562 118.645 -5.083 18728 4228 1 5 . 1 1 34 34 PHE HA H 34 4.526 4.526 4.842 -0.316 18728 4229 1 5 . 1 1 34 34 PHE C C 34 179.061 179.061 178.334 0.727 18728 4230 1 5 . 1 1 34 34 PHE CA C 34 64.104 64.104 61.448 2.656 18728 4231 1 5 . 1 1 34 34 PHE CB C 34 38.379 38.379 38.785 -0.406 18728 4232 1 5 . 1 1 34 34 PHE H H 34 8.227 8.227 8.140 0.087 18728 4233 1 5 . 1 1 35 35 GLU N N 35 124.490 124.490 120.112 4.378 18728 4234 1 5 . 1 1 35 35 GLU HA H 35 4.962 4.962 4.346 0.616 18728 4235 1 5 . 1 1 35 35 GLU C C 35 176.476 176.476 177.462 -0.986 18728 4236 1 5 . 1 1 35 35 GLU CA C 35 57.950 57.950 58.996 -1.046 18728 4237 1 5 . 1 1 35 35 GLU CB C 35 28.690 28.690 29.015 -0.325 18728 4238 1 5 . 1 1 35 35 GLU H H 35 9.219 9.219 8.716 0.503 18728 4239 1 5 . 1 1 36 36 GLN N N 36 116.596 116.596 116.338 0.258 18728 4240 1 5 . 1 1 36 36 GLN HA H 36 3.706 3.706 3.968 -0.262 18728 4241 1 5 . 1 1 36 36 GLN C C 36 176.486 176.486 177.495 -1.009 18728 4242 1 5 . 1 1 36 36 GLN CA C 36 58.206 58.206 57.346 0.860 18728 4243 1 5 . 1 1 36 36 GLN CB C 36 27.731 27.731 28.447 -0.716 18728 4244 1 5 . 1 1 36 36 GLN H H 36 7.011 7.011 7.474 -0.463 18728 4245 1 5 . 1 1 37 37 TRP N N 37 114.690 114.690 117.497 -2.807 18728 4246 1 5 . 1 1 37 37 TRP HA H 37 4.481 4.481 4.886 -0.405 18728 4247 1 5 . 1 1 37 37 TRP C C 37 173.662 173.662 176.615 -2.953 18728 4248 1 5 . 1 1 37 37 TRP CA C 37 61.557 61.557 58.502 3.055 18728 4249 1 5 . 1 1 37 37 TRP CB C 37 29.074 29.074 31.532 -2.458 18728 4250 1 5 . 1 1 37 37 TRP H H 37 7.017 7.017 7.884 -0.867 18728 4251 1 5 . 1 1 38 38 GLY N N 38 105.060 105.060 104.315 0.745 18728 4252 1 5 . 1 1 38 38 GLY C C 38 171.596 171.596 172.609 -1.013 18728 4253 1 5 . 1 1 38 38 GLY CA C 38 45.545 45.545 45.548 -0.003 18728 4254 1 5 . 1 1 38 38 GLY H H 38 7.294 7.294 7.841 -0.547 18728 4255 1 5 . 1 1 39 39 THR N N 39 117.179 117.179 118.415 -1.236 18728 4256 1 5 . 1 1 39 39 THR HA H 39 4.231 4.231 4.357 -0.126 18728 4257 1 5 . 1 1 39 39 THR C C 39 173.760 173.760 174.248 -0.488 18728 4258 1 5 . 1 1 39 39 THR CA C 39 62.904 62.904 64.260 -1.355 18728 4259 1 5 . 1 1 39 39 THR CB C 39 69.813 69.813 68.664 1.149 18728 4260 1 5 . 1 1 39 39 THR H H 39 8.770 8.770 8.862 -0.092 18728 4261 1 5 . 1 1 40 40 LEU N N 40 126.702 126.702 128.190 -1.488 18728 4262 1 5 . 1 1 40 40 LEU HA H 40 4.943 4.943 4.593 0.350 18728 4263 1 5 . 1 1 40 40 LEU C C 40 178.358 178.358 176.480 1.878 18728 4264 1 5 . 1 1 40 40 LEU CA C 40 52.969 52.969 54.213 -1.244 18728 4265 1 5 . 1 1 40 40 LEU CB C 40 41.893 41.893 42.135 -0.242 18728 4266 1 5 . 1 1 40 40 LEU H H 40 8.831 8.831 9.497 -0.666 18728 4267 1 5 . 1 1 41 41 THR N N 41 117.175 117.175 116.605 0.570 18728 4268 1 5 . 1 1 41 41 THR HA H 41 4.197 4.197 4.408 -0.211 18728 4269 1 5 . 1 1 41 41 THR C C 41 175.050 175.050 174.775 0.275 18728 4270 1 5 . 1 1 41 41 THR CA C 41 62.668 62.668 62.106 0.562 18728 4271 1 5 . 1 1 41 41 THR CB C 41 67.618 67.618 69.584 -1.966 18728 4272 1 5 . 1 1 41 41 THR H H 41 8.926 8.926 8.993 -0.067 18728 4273 1 5 . 1 1 42 42 ASP N N 42 118.764 118.764 119.716 -0.952 18728 4274 1 5 . 1 1 42 42 ASP HA H 42 4.620 4.620 4.843 -0.223 18728 4275 1 5 . 1 1 42 42 ASP C C 42 174.637 174.637 173.350 1.287 18728 4276 1 5 . 1 1 42 42 ASP CA C 42 54.235 54.235 54.118 0.117 18728 4277 1 5 . 1 1 42 42 ASP CB C 42 44.253 44.253 44.166 0.087 18728 4278 1 5 . 1 1 42 42 ASP H H 42 7.513 7.513 7.787 -0.274 18728 4279 1 5 . 1 1 43 43 CYS N N 43 123.632 123.632 122.190 1.442 18728 4280 1 5 . 1 1 43 43 CYS HA H 43 4.842 4.842 5.289 -0.447 18728 4281 1 5 . 1 1 43 43 CYS C C 43 171.885 171.885 172.398 -0.513 18728 4282 1 5 . 1 1 43 43 CYS CA C 43 59.376 59.376 58.242 1.134 18728 4283 1 5 . 1 1 43 43 CYS CB C 43 26.377 26.377 30.184 -3.807 18728 4284 1 5 . 1 1 43 43 CYS H H 43 8.436 8.436 8.613 -0.177 18728 4285 1 5 . 1 1 44 44 VAL N N 44 126.787 126.787 126.168 0.619 18728 4286 1 5 . 1 1 44 44 VAL HA H 44 4.576 4.576 4.460 0.116 18728 4287 1 5 . 1 1 44 44 VAL C C 44 173.371 173.371 173.405 -0.034 18728 4288 1 5 . 1 1 44 44 VAL CA C 44 60.151 60.151 61.324 -1.173 18728 4289 1 5 . 1 1 44 44 VAL CB C 44 36.424 36.424 36.360 0.064 18728 4290 1 5 . 1 1 44 44 VAL H H 44 8.737 8.737 8.809 -0.072 18728 4291 1 5 . 1 1 45 45 VAL N N 45 125.522 125.522 128.151 -2.629 18728 4292 1 5 . 1 1 45 45 VAL HA H 45 3.711 3.711 4.115 -0.404 18728 4293 1 5 . 1 1 45 45 VAL C C 45 176.674 176.674 174.804 1.870 18728 4294 1 5 . 1 1 45 45 VAL CA C 45 62.509 62.509 61.835 0.674 18728 4295 1 5 . 1 1 45 45 VAL CB C 45 33.175 33.175 32.994 0.181 18728 4296 1 5 . 1 1 45 45 VAL H H 45 8.269 8.269 8.491 -0.222 18728 4297 1 5 . 1 1 46 46 MET N N 46 126.833 126.833 129.207 -2.374 18728 4298 1 5 . 1 1 46 46 MET HA H 46 4.441 4.441 4.445 -0.004 18728 4299 1 5 . 1 1 46 46 MET C C 46 175.413 175.413 174.732 0.681 18728 4300 1 5 . 1 1 46 46 MET CA C 46 54.852 54.852 54.260 0.592 18728 4301 1 5 . 1 1 46 46 MET CB C 46 30.454 30.454 29.931 0.523 18728 4302 1 5 . 1 1 46 46 MET H H 46 8.445 8.445 8.353 0.092 18728 4303 1 5 . 1 1 47 47 ARG N N 47 120.697 120.697 122.988 -2.291 18728 4304 1 5 . 1 1 47 47 ARG HA H 47 4.838 4.838 4.674 0.164 18728 4305 1 5 . 1 1 47 47 ARG CA C 47 54.308 54.308 54.582 -0.274 18728 4306 1 5 . 1 1 47 47 ARG CB C 47 34.048 34.048 32.353 1.695 18728 4307 1 5 . 1 1 47 47 ARG H H 47 8.308 8.308 7.769 0.539 18728 4308 1 5 . 1 1 48 48 ASP N N 48 125.146 125.146 122.077 3.069 18728 4309 1 5 . 1 1 48 48 ASP HA H 48 4.686 4.686 4.744 -0.058 18728 4310 1 5 . 1 1 48 48 ASP C C 48 176.046 176.046 177.015 -0.969 18728 4311 1 5 . 1 1 48 48 ASP CA C 48 52.106 52.106 52.671 -0.565 18728 4312 1 5 . 1 1 48 48 ASP CB C 48 42.878 42.878 42.485 0.393 18728 4313 1 5 . 1 1 48 48 ASP H H 48 8.577 8.577 8.519 0.058 18728 4314 1 5 . 1 1 49 49 PRO HA H 49 4.310 4.310 4.202 0.108 18728 4315 1 5 . 1 1 49 49 PRO C C 49 177.166 177.166 177.923 -0.757 18728 4316 1 5 . 1 1 49 49 PRO CA C 49 64.584 64.584 65.134 -0.550 18728 4317 1 5 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.200 -0.064 18728 4318 1 5 . 1 1 50 50 ASN N N 50 115.474 115.474 117.179 -1.705 18728 4319 1 5 . 1 1 50 50 ASN HA H 50 4.723 4.723 4.699 0.024 18728 4320 1 5 . 1 1 50 50 ASN C C 50 176.642 176.642 177.336 -0.694 18728 4321 1 5 . 1 1 50 50 ASN CA C 50 55.444 55.444 55.942 -0.498 18728 4322 1 5 . 1 1 50 50 ASN CB C 50 39.455 39.455 39.468 -0.013 18728 4323 1 5 . 1 1 50 50 ASN H H 50 8.560 8.560 8.037 0.523 18728 4324 1 5 . 1 1 51 51 THR N N 51 108.788 108.788 114.136 -5.348 18728 4325 1 5 . 1 1 51 51 THR HA H 51 4.264 4.264 4.371 -0.107 18728 4326 1 5 . 1 1 51 51 THR C C 51 176.018 176.018 174.176 1.842 18728 4327 1 5 . 1 1 51 51 THR CA C 51 62.063 62.063 63.359 -1.296 18728 4328 1 5 . 1 1 51 51 THR CB C 51 70.768 70.768 69.595 1.173 18728 4329 1 5 . 1 1 51 51 THR H H 51 8.277 8.277 9.040 -0.763 18728 4330 1 5 . 1 1 52 52 LYS N N 52 114.615 114.615 116.233 -1.618 18728 4331 1 5 . 1 1 52 52 LYS HA H 52 3.917 3.917 4.000 -0.083 18728 4332 1 5 . 1 1 52 52 LYS C C 52 175.376 175.376 174.939 0.437 18728 4333 1 5 . 1 1 52 52 LYS CA C 52 57.902 57.902 56.889 1.012 18728 4334 1 5 . 1 1 52 52 LYS CB C 52 29.293 29.293 29.960 -0.667 18728 4335 1 5 . 1 1 52 52 LYS H H 52 8.091 8.091 8.176 -0.085 18728 4336 1 5 . 1 1 53 53 ARG N N 53 120.395 120.395 117.193 3.202 18728 4337 1 5 . 1 1 53 53 ARG HA H 53 4.169 4.169 4.569 -0.400 18728 4338 1 5 . 1 1 53 53 ARG C C 53 176.619 176.619 176.534 0.085 18728 4339 1 5 . 1 1 53 53 ARG CA C 53 56.233 56.233 53.277 2.956 18728 4340 1 5 . 1 1 53 53 ARG CB C 53 31.045 31.045 31.491 -0.446 18728 4341 1 5 . 1 1 53 53 ARG H H 53 7.847 7.847 7.587 0.260 18728 4342 1 5 . 1 1 54 54 SER N N 54 116.987 116.987 117.127 -0.140 18728 4343 1 5 . 1 1 54 54 SER HA H 54 4.186 4.186 4.337 -0.151 18728 4344 1 5 . 1 1 54 54 SER C C 54 175.755 175.755 175.066 0.689 18728 4345 1 5 . 1 1 54 54 SER CA C 54 58.559 58.559 58.001 0.558 18728 4346 1 5 . 1 1 54 54 SER CB C 54 63.922 63.922 63.558 0.364 18728 4347 1 5 . 1 1 54 54 SER H H 54 8.810 8.810 8.935 -0.125 18728 4348 1 5 . 1 1 55 55 ARG N N 55 123.427 123.427 127.224 -3.797 18728 4349 1 5 . 1 1 55 55 ARG HA H 55 4.403 4.403 4.384 0.019 18728 4350 1 5 . 1 1 55 55 ARG C C 55 177.962 177.962 176.450 1.512 18728 4351 1 5 . 1 1 55 55 ARG CA C 55 56.096 56.096 55.280 0.816 18728 4352 1 5 . 1 1 55 55 ARG CB C 55 31.294 31.294 30.131 1.163 18728 4353 1 5 . 1 1 55 55 ARG H H 55 8.976 8.976 8.226 0.750 18728 4354 1 5 . 1 1 56 56 GLY N N 56 107.308 107.308 107.184 0.124 18728 4355 1 5 . 1 1 56 56 GLY C C 56 171.856 171.856 173.563 -1.707 18728 4356 1 5 . 1 1 56 56 GLY CA C 56 45.669 45.669 45.056 0.613 18728 4357 1 5 . 1 1 56 56 GLY H H 56 9.375 9.375 7.845 1.530 18728 4358 1 5 . 1 1 57 57 PHE N N 57 112.537 112.537 114.305 -1.768 18728 4359 1 5 . 1 1 57 57 PHE HA H 57 5.201 5.201 5.330 -0.129 18728 4360 1 5 . 1 1 57 57 PHE C C 57 172.646 172.646 173.076 -0.430 18728 4361 1 5 . 1 1 57 57 PHE CA C 57 54.918 54.918 55.620 -0.702 18728 4362 1 5 . 1 1 57 57 PHE CB C 57 41.743 41.743 40.796 0.947 18728 4363 1 5 . 1 1 57 57 PHE H H 57 7.044 7.044 6.947 0.097 18728 4364 1 5 . 1 1 58 58 GLY N N 58 106.816 106.816 106.217 0.599 18728 4365 1 5 . 1 1 58 58 GLY C C 58 169.931 169.931 171.336 -1.405 18728 4366 1 5 . 1 1 58 58 GLY CA C 58 45.304 45.304 44.585 0.719 18728 4367 1 5 . 1 1 58 58 GLY H H 58 8.345 8.345 8.236 0.109 18728 4368 1 5 . 1 1 59 59 PHE N N 59 115.179 115.179 115.631 -0.452 18728 4369 1 5 . 1 1 59 59 PHE HA H 59 5.645 5.645 5.465 0.180 18728 4370 1 5 . 1 1 59 59 PHE C C 59 174.929 174.929 174.177 0.752 18728 4371 1 5 . 1 1 59 59 PHE CA C 59 56.541 56.541 56.487 0.054 18728 4372 1 5 . 1 1 59 59 PHE CB C 59 43.984 43.984 43.878 0.106 18728 4373 1 5 . 1 1 59 59 PHE H H 59 8.903 8.903 8.714 0.189 18728 4374 1 5 . 1 1 60 60 VAL N N 60 115.310 115.310 116.564 -1.254 18728 4375 1 5 . 1 1 60 60 VAL HA H 60 4.540 4.540 4.799 -0.259 18728 4376 1 5 . 1 1 60 60 VAL C C 60 173.246 173.246 174.941 -1.695 18728 4377 1 5 . 1 1 60 60 VAL CA C 60 59.421 59.421 60.598 -1.177 18728 4378 1 5 . 1 1 60 60 VAL CB C 60 34.678 34.678 33.576 1.102 18728 4379 1 5 . 1 1 60 60 VAL H H 60 8.569 8.569 8.916 -0.347 18728 4380 1 5 . 1 1 61 61 THR N N 61 120.158 120.158 123.549 -3.391 18728 4381 1 5 . 1 1 61 61 THR HA H 61 5.068 5.068 4.868 0.200 18728 4382 1 5 . 1 1 61 61 THR C C 61 173.985 173.985 173.923 0.062 18728 4383 1 5 . 1 1 61 61 THR CA C 61 61.033 61.033 61.916 -0.883 18728 4384 1 5 . 1 1 61 61 THR CB C 61 70.114 70.114 69.847 0.267 18728 4385 1 5 . 1 1 61 61 THR H H 61 8.180 8.180 8.939 -0.759 18728 4386 1 5 . 1 1 62 62 TYR N N 62 125.280 125.280 127.340 -2.060 18728 4387 1 5 . 1 1 62 62 TYR HA H 62 5.357 5.357 5.031 0.326 18728 4388 1 5 . 1 1 62 62 TYR C C 62 176.696 176.696 175.368 1.328 18728 4389 1 5 . 1 1 62 62 TYR CA C 62 58.297 58.297 58.740 -0.443 18728 4390 1 5 . 1 1 62 62 TYR CB C 62 42.217 42.217 40.249 1.968 18728 4391 1 5 . 1 1 62 62 TYR H H 62 8.407 8.407 9.068 -0.661 18728 4392 1 5 . 1 1 63 63 ALA N N 63 121.648 121.648 120.599 1.049 18728 4393 1 5 . 1 1 63 63 ALA HA H 63 4.052 4.052 4.383 -0.331 18728 4394 1 5 . 1 1 63 63 ALA C C 63 178.252 178.252 177.116 1.136 18728 4395 1 5 . 1 1 63 63 ALA CA C 63 55.269 55.269 53.103 2.166 18728 4396 1 5 . 1 1 63 63 ALA CB C 63 19.068 19.068 19.914 -0.846 18728 4397 1 5 . 1 1 63 63 ALA H H 63 8.749 8.749 8.869 -0.120 18728 4398 1 5 . 1 1 64 64 THR N N 64 105.238 105.238 111.643 -6.405 18728 4399 1 5 . 1 1 64 64 THR HA H 64 4.902 4.902 4.767 0.135 18728 4400 1 5 . 1 1 64 64 THR C C 64 174.667 174.667 174.506 0.161 18728 4401 1 5 . 1 1 64 64 THR CA C 64 59.184 59.184 61.628 -2.444 18728 4402 1 5 . 1 1 64 64 THR CB C 64 73.193 73.193 72.355 0.838 18728 4403 1 5 . 1 1 64 64 THR H H 64 7.992 7.992 7.811 0.181 18728 4404 1 5 . 1 1 65 65 VAL N N 65 120.939 120.939 124.758 -3.819 18728 4405 1 5 . 1 1 65 65 VAL HA H 65 3.670 3.670 3.750 -0.080 18728 4406 1 5 . 1 1 65 65 VAL C C 65 177.446 177.446 176.818 0.628 18728 4407 1 5 . 1 1 65 65 VAL CA C 65 65.535 65.535 65.264 0.271 18728 4408 1 5 . 1 1 65 65 VAL CB C 65 31.538 31.538 32.413 -0.875 18728 4409 1 5 . 1 1 65 65 VAL H H 65 8.968 8.968 9.431 -0.463 18728 4410 1 5 . 1 1 66 66 GLU N N 66 120.818 120.818 118.449 2.369 18728 4411 1 5 . 1 1 66 66 GLU HA H 66 4.045 4.045 3.851 0.194 18728 4412 1 5 . 1 1 66 66 GLU C C 66 180.056 180.056 178.908 1.148 18728 4413 1 5 . 1 1 66 66 GLU CA C 66 60.430 60.430 59.991 0.439 18728 4414 1 5 . 1 1 66 66 GLU CB C 66 28.909 28.909 28.881 0.028 18728 4415 1 5 . 1 1 66 66 GLU H H 66 8.686 8.686 8.893 -0.207 18728 4416 1 5 . 1 1 67 67 GLU N N 67 120.729 120.729 118.188 2.541 18728 4417 1 5 . 1 1 67 67 GLU HA H 67 3.853 3.853 4.011 -0.158 18728 4418 1 5 . 1 1 67 67 GLU C C 67 177.040 177.040 178.315 -1.275 18728 4419 1 5 . 1 1 67 67 GLU CA C 67 59.391 59.391 58.942 0.449 18728 4420 1 5 . 1 1 67 67 GLU CB C 67 29.590 29.590 29.430 0.160 18728 4421 1 5 . 1 1 67 67 GLU H H 67 7.487 7.487 7.541 -0.054 18728 4422 1 5 . 1 1 68 68 VAL N N 68 118.408 118.408 119.301 -0.893 18728 4423 1 5 . 1 1 68 68 VAL HA H 68 3.165 3.165 3.190 -0.025 18728 4424 1 5 . 1 1 68 68 VAL C C 68 178.293 178.293 177.532 0.761 18728 4425 1 5 . 1 1 68 68 VAL CA C 68 66.391 66.391 66.084 0.307 18728 4426 1 5 . 1 1 68 68 VAL CB C 68 31.092 31.092 31.102 -0.010 18728 4427 1 5 . 1 1 68 68 VAL H H 68 6.882 6.882 6.957 -0.075 18728 4428 1 5 . 1 1 69 69 ASP N N 69 119.356 119.356 120.101 -0.745 18728 4429 1 5 . 1 1 69 69 ASP HA H 69 4.128 4.128 4.215 -0.087 18728 4430 1 5 . 1 1 69 69 ASP C C 69 178.765 178.765 178.365 0.400 18728 4431 1 5 . 1 1 69 69 ASP CA C 69 57.394 57.394 57.901 -0.507 18728 4432 1 5 . 1 1 69 69 ASP CB C 69 39.879 39.879 40.893 -1.014 18728 4433 1 5 . 1 1 69 69 ASP H H 69 8.109 8.109 7.857 0.252 18728 4434 1 5 . 1 1 70 70 ALA N N 70 123.031 123.031 121.456 1.575 18728 4435 1 5 . 1 1 70 70 ALA HA H 70 4.070 4.070 4.063 0.007 18728 4436 1 5 . 1 1 70 70 ALA C C 70 180.518 180.518 179.387 1.131 18728 4437 1 5 . 1 1 70 70 ALA CA C 70 55.209 55.209 54.991 0.218 18728 4438 1 5 . 1 1 70 70 ALA CB C 70 18.104 18.104 18.359 -0.255 18728 4439 1 5 . 1 1 70 70 ALA H H 70 7.736 7.736 7.763 -0.027 18728 4440 1 5 . 1 1 71 71 ALA N N 71 121.446 121.446 120.220 1.226 18728 4441 1 5 . 1 1 71 71 ALA HA H 71 3.034 3.034 3.783 -0.749 18728 4442 1 5 . 1 1 71 71 ALA C C 71 182.248 182.248 179.694 2.554 18728 4443 1 5 . 1 1 71 71 ALA CA C 71 55.251 55.251 54.664 0.587 18728 4444 1 5 . 1 1 71 71 ALA CB C 71 17.976 17.976 18.463 -0.487 18728 4445 1 5 . 1 1 71 71 ALA H H 71 8.101 8.101 7.330 0.771 18728 4446 1 5 . 1 1 72 72 MET N N 72 118.027 118.027 116.803 1.224 18728 4447 1 5 . 1 1 72 72 MET HA H 72 4.430 4.430 4.192 0.238 18728 4448 1 5 . 1 1 72 72 MET C C 72 179.409 179.409 178.144 1.265 18728 4449 1 5 . 1 1 72 72 MET CA C 72 56.379 56.379 58.132 -1.753 18728 4450 1 5 . 1 1 72 72 MET CB C 72 30.498 30.498 32.092 -1.594 18728 4451 1 5 . 1 1 72 72 MET H H 72 8.681 8.681 8.485 0.196 18728 4452 1 5 . 1 1 73 73 ASN N N 73 119.415 119.415 118.193 1.222 18728 4453 1 5 . 1 1 73 73 ASN HA H 73 4.627 4.627 4.608 0.019 18728 4454 1 5 . 1 1 73 73 ASN C C 73 175.014 175.014 175.989 -0.975 18728 4455 1 5 . 1 1 73 73 ASN CA C 73 54.323 54.323 55.019 -0.696 18728 4456 1 5 . 1 1 73 73 ASN CB C 73 38.468 38.468 37.757 0.711 18728 4457 1 5 . 1 1 73 73 ASN H H 73 8.096 8.096 8.403 -0.307 18728 4458 1 5 . 1 1 74 74 ALA N N 74 122.253 122.253 121.484 0.769 18728 4459 1 5 . 1 1 74 74 ALA HA H 74 4.299 4.299 4.323 -0.024 18728 4460 1 5 . 1 1 74 74 ALA C C 74 175.305 175.305 177.190 -1.885 18728 4461 1 5 . 1 1 74 74 ALA CA C 74 51.273 51.273 51.492 -0.219 18728 4462 1 5 . 1 1 74 74 ALA CB C 74 18.922 18.922 19.021 -0.099 18728 4463 1 5 . 1 1 74 74 ALA H H 74 6.966 6.966 7.352 -0.386 18728 4464 1 5 . 1 1 75 75 ARG N N 75 116.833 116.833 120.481 -3.648 18728 4465 1 5 . 1 1 75 75 ARG HA H 75 3.608 3.608 4.089 -0.481 18728 4466 1 5 . 1 1 75 75 ARG CA C 75 55.086 55.086 55.340 -0.255 18728 4467 1 5 . 1 1 75 75 ARG CB C 75 30.199 30.199 29.682 0.517 18728 4468 1 5 . 1 1 75 75 ARG H H 75 6.749 6.749 7.204 -0.455 18728 4469 1 5 . 1 1 76 76 PRO HA H 76 4.434 4.434 4.507 -0.073 18728 4470 1 5 . 1 1 76 76 PRO C C 76 175.590 175.590 175.910 -0.320 18728 4471 1 5 . 1 1 76 76 PRO CA C 76 61.614 61.614 62.808 -1.194 18728 4472 1 5 . 1 1 76 76 PRO CB C 76 34.982 34.982 33.054 1.928 18728 4473 1 5 . 1 1 77 77 HIS N N 77 122.039 122.039 117.036 5.003 18728 4474 1 5 . 1 1 77 77 HIS HA H 77 4.559 4.559 4.885 -0.326 18728 4475 1 5 . 1 1 77 77 HIS C C 77 173.137 173.137 173.700 -0.563 18728 4476 1 5 . 1 1 77 77 HIS CA C 77 56.231 56.231 55.562 0.669 18728 4477 1 5 . 1 1 77 77 HIS CB C 77 32.909 32.909 33.912 -1.003 18728 4478 1 5 . 1 1 77 77 HIS H H 77 9.384 9.384 8.334 1.050 18728 4479 1 5 . 1 1 78 78 LYS N N 78 125.607 125.607 123.792 1.815 18728 4480 1 5 . 1 1 78 78 LYS HA H 78 4.939 4.939 5.276 -0.337 18728 4481 1 5 . 1 1 78 78 LYS C C 78 174.858 174.858 175.059 -0.201 18728 4482 1 5 . 1 1 78 78 LYS CA C 78 54.755 54.755 55.593 -0.838 18728 4483 1 5 . 1 1 78 78 LYS CB C 78 33.475 33.475 34.600 -1.125 18728 4484 1 5 . 1 1 78 78 LYS H H 78 8.485 8.485 8.659 -0.174 18728 4485 1 5 . 1 1 79 79 VAL N N 79 124.596 124.596 126.486 -1.890 18728 4486 1 5 . 1 1 79 79 VAL HA H 79 3.955 3.955 3.977 -0.022 18728 4487 1 5 . 1 1 79 79 VAL C C 79 176.295 176.295 175.394 0.901 18728 4488 1 5 . 1 1 79 79 VAL CA C 79 60.737 60.737 61.548 -0.811 18728 4489 1 5 . 1 1 79 79 VAL CB C 79 33.249 33.249 32.896 0.353 18728 4490 1 5 . 1 1 79 79 VAL H H 79 8.581 8.581 8.215 0.366 18728 4491 1 5 . 1 1 80 80 ASP N N 80 128.668 128.668 126.272 2.396 18728 4492 1 5 . 1 1 80 80 ASP HA H 80 4.228 4.228 4.366 -0.138 18728 4493 1 5 . 1 1 80 80 ASP C C 80 175.744 175.744 176.355 -0.611 18728 4494 1 5 . 1 1 80 80 ASP CA C 80 55.882 55.882 55.047 0.835 18728 4495 1 5 . 1 1 80 80 ASP CB C 80 39.692 39.692 39.331 0.360 18728 4496 1 5 . 1 1 80 80 ASP H H 80 9.553 9.553 9.356 0.197 18728 4497 1 5 . 1 1 81 81 GLY N N 81 101.527 101.527 104.133 -2.606 18728 4498 1 5 . 1 1 81 81 GLY C C 81 173.560 173.560 173.645 -0.085 18728 4499 1 5 . 1 1 81 81 GLY CA C 81 45.445 45.445 45.418 0.027 18728 4500 1 5 . 1 1 81 81 GLY H H 81 8.488 8.488 8.633 -0.145 18728 4501 1 5 . 1 1 82 82 ARG N N 82 120.493 120.493 119.919 0.574 18728 4502 1 5 . 1 1 82 82 ARG HA H 82 4.640 4.640 4.630 0.010 18728 4503 1 5 . 1 1 82 82 ARG C C 82 174.512 174.512 174.883 -0.371 18728 4504 1 5 . 1 1 82 82 ARG CA C 82 53.161 53.161 54.190 -1.028 18728 4505 1 5 . 1 1 82 82 ARG CB C 82 32.507 32.507 32.897 -0.390 18728 4506 1 5 . 1 1 82 82 ARG H H 82 7.555 7.555 7.349 0.206 18728 4507 1 5 . 1 1 83 83 VAL N N 83 124.855 124.855 127.284 -2.429 18728 4508 1 5 . 1 1 83 83 VAL HA H 83 4.501 4.501 4.363 0.138 18728 4509 1 5 . 1 1 83 83 VAL C C 83 176.701 176.701 175.628 1.073 18728 4510 1 5 . 1 1 83 83 VAL CA C 83 63.290 63.290 62.606 0.684 18728 4511 1 5 . 1 1 83 83 VAL CB C 83 30.867 30.867 31.066 -0.199 18728 4512 1 5 . 1 1 83 83 VAL H H 83 8.633 8.633 8.623 0.010 18728 4513 1 5 . 1 1 84 84 VAL N N 84 122.944 122.944 122.301 0.643 18728 4514 1 5 . 1 1 84 84 VAL HA H 84 4.667 4.667 4.817 -0.150 18728 4515 1 5 . 1 1 84 84 VAL C C 84 174.969 174.969 174.541 0.428 18728 4516 1 5 . 1 1 84 84 VAL CA C 84 59.499 59.499 59.269 0.230 18728 4517 1 5 . 1 1 84 84 VAL CB C 84 32.761 32.761 35.009 -2.248 18728 4518 1 5 . 1 1 84 84 VAL H H 84 8.391 8.391 8.550 -0.159 18728 4519 1 5 . 1 1 85 85 GLU N N 85 120.907 120.907 123.524 -2.617 18728 4520 1 5 . 1 1 85 85 GLU HA H 85 5.087 5.087 4.982 0.105 18728 4521 1 5 . 1 1 85 85 GLU CA C 85 52.949 52.949 52.401 0.548 18728 4522 1 5 . 1 1 85 85 GLU CB C 85 31.367 31.367 31.226 0.141 18728 4523 1 5 . 1 1 85 85 GLU H H 85 8.681 8.681 9.026 -0.345 18728 4524 1 5 . 1 1 86 86 PRO HA H 86 5.383 5.383 4.630 0.753 18728 4525 1 5 . 1 1 86 86 PRO C C 86 175.908 175.908 175.966 -0.058 18728 4526 1 5 . 1 1 86 86 PRO CA C 86 61.444 61.444 62.653 -1.209 18728 4527 1 5 . 1 1 86 86 PRO CB C 86 32.657 32.657 32.388 0.269 18728 4528 1 5 . 1 1 87 87 LYS N N 87 121.252 121.252 122.000 -0.748 18728 4529 1 5 . 1 1 87 87 LYS HA H 87 4.688 4.688 4.970 -0.282 18728 4530 1 5 . 1 1 87 87 LYS C C 87 175.676 175.676 176.300 -0.624 18728 4531 1 5 . 1 1 87 87 LYS CA C 87 55.101 55.101 53.400 1.701 18728 4532 1 5 . 1 1 87 87 LYS CB C 87 36.608 36.608 36.395 0.213 18728 4533 1 5 . 1 1 87 87 LYS H H 87 9.397 9.397 8.616 0.781 18728 4534 1 5 . 1 1 88 88 ARG N N 88 123.272 123.272 124.744 -1.472 18728 4535 1 5 . 1 1 88 88 ARG HA H 88 4.375 4.375 4.270 0.105 18728 4536 1 5 . 1 1 88 88 ARG C C 88 177.011 177.011 176.313 0.698 18728 4537 1 5 . 1 1 88 88 ARG CA C 88 57.209 57.209 56.233 0.976 18728 4538 1 5 . 1 1 88 88 ARG CB C 88 30.452 30.452 30.180 0.272 18728 4539 1 5 . 1 1 88 88 ARG H H 88 8.940 8.940 9.154 -0.214 18728 4540 1 5 . 1 1 89 89 ALA N N 89 126.260 126.260 131.613 -5.353 18728 4541 1 5 . 1 1 89 89 ALA HA H 89 4.259 4.259 4.352 -0.093 18728 4542 1 5 . 1 1 89 89 ALA C C 89 177.452 177.452 176.754 0.698 18728 4543 1 5 . 1 1 89 89 ALA CA C 89 53.712 53.712 52.460 1.252 18728 4544 1 5 . 1 1 89 89 ALA CB C 89 18.824 18.824 18.491 0.334 18728 4545 1 5 . 1 1 89 89 ALA H H 89 8.424 8.424 8.147 0.277 18728 4546 1 5 . 1 1 90 90 VAL N N 90 115.835 115.835 124.141 -8.306 18728 4547 1 5 . 1 1 90 90 VAL HA H 90 4.182 4.182 4.025 0.157 18728 4548 1 5 . 1 1 90 90 VAL C C 90 175.397 175.397 176.389 -0.992 18728 4549 1 5 . 1 1 90 90 VAL CA C 90 61.516 61.516 62.461 -0.945 18728 4550 1 5 . 1 1 90 90 VAL CB C 90 33.448 33.448 33.802 -0.354 18728 4551 1 5 . 1 1 90 90 VAL H H 90 7.892 7.892 7.858 0.034 18728 4552 1 5 . 1 1 91 91 SER N N 91 119.224 119.224 120.873 -1.649 18728 4553 1 5 . 1 1 91 91 SER HA H 91 4.420 4.420 4.418 0.002 18728 4554 1 5 . 1 1 91 91 SER CA C 91 57.888 57.888 58.614 -0.726 18728 4555 1 5 . 1 1 91 91 SER CB C 91 63.788 63.788 64.040 -0.252 18728 4556 1 5 . 1 1 91 91 SER H H 91 8.327 8.327 8.675 -0.348 18728 4557 1 5 . 1 1 92 92 ARG HA H 92 4.231 4.231 3.916 0.315 18728 4558 1 5 . 1 1 92 92 ARG C C 92 176.651 176.651 178.173 -1.522 18728 4559 1 5 . 1 1 92 92 ARG CA C 92 56.671 56.671 59.124 -2.453 18728 4560 1 5 . 1 1 92 92 ARG CB C 92 30.776 30.776 29.753 1.023 18728 4561 1 5 . 1 1 92 92 ARG H H 92 8.425 8.425 8.840 -0.415 18728 4562 1 5 . 1 1 93 93 GLU N N 93 121.483 121.483 117.758 3.725 18728 4563 1 5 . 1 1 93 93 GLU HA H 93 4.181 4.181 4.086 0.095 18728 4564 1 5 . 1 1 93 93 GLU C C 93 176.605 176.605 178.692 -2.087 18728 4565 1 5 . 1 1 93 93 GLU CA C 93 57.185 57.185 59.189 -2.004 18728 4566 1 5 . 1 1 93 93 GLU CB C 93 30.015 30.015 29.299 0.716 18728 4567 1 5 . 1 1 93 93 GLU H H 93 8.503 8.503 8.239 0.264 18728 4568 1 5 . 1 1 94 94 ASP N N 94 121.305 121.305 119.355 1.950 18728 4569 1 5 . 1 1 94 94 ASP HA H 94 4.540 4.540 4.455 0.085 18728 4570 1 5 . 1 1 94 94 ASP C C 94 176.744 176.744 178.564 -1.820 18728 4571 1 5 . 1 1 94 94 ASP CA C 94 54.678 54.678 56.255 -1.577 18728 4572 1 5 . 1 1 94 94 ASP CB C 94 41.183 41.183 40.996 0.187 18728 4573 1 5 . 1 1 94 94 ASP H H 94 8.229 8.229 7.715 0.514 18728 4574 1 5 . 1 1 95 95 SER N N 95 115.787 115.787 114.479 1.308 18728 4575 1 5 . 1 1 95 95 SER HA H 95 4.286 4.286 3.893 0.393 18728 4576 1 5 . 1 1 95 95 SER C C 95 174.602 174.602 175.266 -0.664 18728 4577 1 5 . 1 1 95 95 SER CA C 95 58.957 58.957 60.565 -1.608 18728 4578 1 5 . 1 1 95 95 SER CB C 95 64.524 64.524 62.937 1.587 18728 4579 1 5 . 1 1 95 95 SER H H 95 8.109 8.109 8.136 -0.027 18728 4580 1 5 . 1 1 96 96 GLN N N 96 120.796 120.796 118.768 2.028 18728 4581 1 5 . 1 1 96 96 GLN HA H 96 4.297 4.297 4.174 0.123 18728 4582 1 5 . 1 1 96 96 GLN C C 96 175.742 175.742 175.930 -0.188 18728 4583 1 5 . 1 1 96 96 GLN CA C 96 55.721 55.721 56.393 -0.672 18728 4584 1 5 . 1 1 96 96 GLN CB C 96 29.313 29.313 29.317 -0.004 18728 4585 1 5 . 1 1 96 96 GLN H H 96 8.161 8.161 7.228 0.933 18728 4586 1 5 . 1 1 97 97 ARG N N 97 122.462 122.462 120.656 1.806 18728 4587 1 5 . 1 1 97 97 ARG HA H 97 4.552 4.552 4.573 -0.021 18728 4588 1 5 . 1 1 97 97 ARG CA C 97 54.096 54.096 52.616 1.480 18728 4589 1 5 . 1 1 97 97 ARG CB C 97 30.115 30.115 28.788 1.327 18728 4590 1 5 . 1 1 97 97 ARG H H 97 8.029 8.029 7.723 0.306 18728 4591 1 5 . 1 1 98 98 PRO HA H 98 4.362 4.362 4.283 0.079 18728 4592 1 5 . 1 1 98 98 PRO C C 98 177.715 177.715 177.555 0.160 18728 4593 1 5 . 1 1 98 98 PRO CA C 98 63.592 63.592 63.560 0.032 18728 4594 1 5 . 1 1 98 98 PRO CB C 98 31.955 31.955 31.038 0.917 18728 4595 1 5 . 1 1 99 99 GLY N N 99 109.572 109.572 113.125 -3.553 18728 4596 1 5 . 1 1 99 99 GLY C C 99 174.356 174.356 175.173 -0.817 18728 4597 1 5 . 1 1 99 99 GLY CA C 99 45.395 45.395 44.685 0.710 18728 4598 1 5 . 1 1 99 99 GLY H H 99 8.516 8.516 8.649 -0.133 18728 4599 1 5 . 1 1 100 100 ALA N N 100 123.418 123.418 123.398 0.020 18728 4600 1 5 . 1 1 100 100 ALA HA H 100 4.141 4.141 3.973 0.168 18728 4601 1 5 . 1 1 100 100 ALA CA C 100 53.160 53.160 53.926 -0.766 18728 4602 1 5 . 1 1 100 100 ALA CB C 100 19.185 19.185 18.977 0.208 18728 4603 1 5 . 1 1 100 100 ALA H H 100 8.015 8.015 7.372 0.643 18728 4604 1 5 . 1 1 101 101 HIS HA H 101 4.502 4.502 4.602 -0.100 18728 4605 1 5 . 1 1 101 101 HIS C C 101 175.102 175.102 174.091 1.011 18728 4606 1 5 . 1 1 101 101 HIS CA C 101 56.309 56.309 54.224 2.085 18728 4607 1 5 . 1 1 101 101 HIS CB C 101 30.450 30.450 28.698 1.752 18728 4608 1 5 . 1 1 102 102 LEU N N 102 122.495 122.495 119.589 2.906 18728 4609 1 5 . 1 1 102 102 LEU HA H 102 4.263 4.263 4.596 -0.333 18728 4610 1 5 . 1 1 102 102 LEU C C 102 177.020 177.020 176.948 0.072 18728 4611 1 5 . 1 1 102 102 LEU CA C 102 54.934 54.934 52.974 1.960 18728 4612 1 5 . 1 1 102 102 LEU CB C 102 42.414 42.414 43.735 -1.321 18728 4613 1 5 . 1 1 102 102 LEU H H 102 7.774 7.774 7.130 0.644 18728 4614 1 5 . 1 1 103 103 THR N N 103 115.720 115.720 117.432 -1.712 18728 4615 1 5 . 1 1 103 103 THR HA H 103 4.220 4.220 4.275 -0.055 18728 4616 1 5 . 1 1 103 103 THR C C 103 174.185 174.185 173.680 0.505 18728 4617 1 5 . 1 1 103 103 THR CA C 103 60.917 60.917 62.334 -1.417 18728 4618 1 5 . 1 1 103 103 THR CB C 103 69.340 69.340 68.296 1.044 18728 4619 1 5 . 1 1 103 103 THR H H 103 8.001 8.001 8.301 -0.300 18728 4620 1 5 . 1 1 104 104 VAL N N 104 122.004 122.004 125.550 -3.546 18728 4621 1 5 . 1 1 104 104 VAL HA H 104 4.330 4.330 4.594 -0.264 18728 4622 1 5 . 1 1 104 104 VAL C C 104 175.294 175.294 174.581 0.713 18728 4623 1 5 . 1 1 104 104 VAL CA C 104 61.877 61.877 60.127 1.750 18728 4624 1 5 . 1 1 104 104 VAL CB C 104 34.220 34.220 34.045 0.175 18728 4625 1 5 . 1 1 104 104 VAL H H 104 8.191 8.191 7.869 0.322 18728 4626 1 5 . 1 1 105 105 LYS N N 105 121.406 121.406 127.493 -6.087 18728 4627 1 5 . 1 1 105 105 LYS HA H 105 4.498 4.498 4.565 -0.067 18728 4628 1 5 . 1 1 105 105 LYS C C 105 173.482 173.482 175.514 -2.032 18728 4629 1 5 . 1 1 105 105 LYS CA C 105 56.433 56.433 55.838 0.595 18728 4630 1 5 . 1 1 105 105 LYS CB C 105 33.245 33.245 32.779 0.466 18728 4631 1 5 . 1 1 105 105 LYS H H 105 8.672 8.672 8.687 -0.015 18728 4632 1 5 . 1 1 106 106 LYS N N 106 121.756 121.756 119.657 2.099 18728 4633 1 5 . 1 1 106 106 LYS HA H 106 5.623 5.623 5.364 0.259 18728 4634 1 5 . 1 1 106 106 LYS C C 106 175.153 175.153 175.428 -0.275 18728 4635 1 5 . 1 1 106 106 LYS CA C 106 54.537 54.537 54.893 -0.356 18728 4636 1 5 . 1 1 106 106 LYS CB C 106 37.407 37.407 35.935 1.472 18728 4637 1 5 . 1 1 106 106 LYS H H 106 7.134 7.134 7.723 -0.589 18728 4638 1 5 . 1 1 107 107 ILE N N 107 115.982 115.982 118.648 -2.666 18728 4639 1 5 . 1 1 107 107 ILE HA H 107 5.110 5.110 5.164 -0.054 18728 4640 1 5 . 1 1 107 107 ILE C C 107 174.525 174.525 173.829 0.696 18728 4641 1 5 . 1 1 107 107 ILE CA C 107 59.009 59.009 59.266 -0.257 18728 4642 1 5 . 1 1 107 107 ILE CB C 107 40.552 40.552 41.604 -1.052 18728 4643 1 5 . 1 1 107 107 ILE H H 107 8.948 8.948 8.413 0.535 18728 4644 1 5 . 1 1 108 108 PHE N N 108 124.182 124.182 124.558 -0.376 18728 4645 1 5 . 1 1 108 108 PHE HA H 108 4.696 4.696 4.615 0.081 18728 4646 1 5 . 1 1 108 108 PHE C C 108 173.422 173.422 173.298 0.124 18728 4647 1 5 . 1 1 108 108 PHE CA C 108 56.567 56.567 56.205 0.362 18728 4648 1 5 . 1 1 108 108 PHE CB C 108 41.596 41.596 41.686 -0.090 18728 4649 1 5 . 1 1 108 108 PHE H H 108 9.103 9.103 9.081 0.022 18728 4650 1 5 . 1 1 109 109 VAL N N 109 126.956 126.956 126.911 0.045 18728 4651 1 5 . 1 1 109 109 VAL HA H 109 4.497 4.497 4.665 -0.168 18728 4652 1 5 . 1 1 109 109 VAL C C 109 174.097 174.097 174.117 -0.020 18728 4653 1 5 . 1 1 109 109 VAL CA C 109 60.493 60.493 60.421 0.072 18728 4654 1 5 . 1 1 109 109 VAL CB C 109 33.266 33.266 32.977 0.289 18728 4655 1 5 . 1 1 109 109 VAL H H 109 8.338 8.338 8.021 0.317 18728 4656 1 5 . 1 1 110 110 GLY N N 110 113.617 113.617 113.333 0.284 18728 4657 1 5 . 1 1 110 110 GLY C C 110 174.325 174.325 173.376 0.949 18728 4658 1 5 . 1 1 110 110 GLY CA C 110 44.011 44.011 43.295 0.716 18728 4659 1 5 . 1 1 110 110 GLY H H 110 9.173 9.173 8.530 0.643 18728 4660 1 5 . 1 1 111 111 GLY N N 111 106.411 106.411 109.580 -3.169 18728 4661 1 5 . 1 1 111 111 GLY CA C 111 46.359 46.359 45.088 1.271 18728 4662 1 5 . 1 1 111 111 GLY H H 111 8.221 8.221 8.902 -0.681 18728 4663 1 5 . 1 1 116 116 THR HA H 116 4.322 4.322 4.349 -0.027 18728 4664 1 5 . 1 1 116 116 THR C C 116 173.380 173.380 174.238 -0.858 18728 4665 1 5 . 1 1 116 116 THR CA C 116 63.000 63.000 63.662 -0.662 18728 4666 1 5 . 1 1 117 117 GLU N N 117 130.298 130.298 126.387 3.911 18728 4667 1 5 . 1 1 117 117 GLU HA H 117 4.632 4.632 4.458 0.174 18728 4668 1 5 . 1 1 117 117 GLU C C 117 177.632 177.632 176.615 1.017 18728 4669 1 5 . 1 1 117 117 GLU CA C 117 53.853 53.853 54.687 -0.834 18728 4670 1 5 . 1 1 117 117 GLU CB C 117 32.977 32.977 31.634 1.343 18728 4671 1 5 . 1 1 117 117 GLU H H 117 11.190 11.190 9.144 2.046 18728 4672 1 5 . 1 1 118 118 GLU N N 118 122.126 122.126 122.288 -0.162 18728 4673 1 5 . 1 1 118 118 GLU HA H 118 3.627 3.627 3.902 -0.275 18728 4674 1 5 . 1 1 118 118 GLU C C 118 179.294 179.294 177.943 1.351 18728 4675 1 5 . 1 1 118 118 GLU CA C 118 61.689 61.689 60.726 0.963 18728 4676 1 5 . 1 1 118 118 GLU CB C 118 29.075 29.075 29.458 -0.383 18728 4677 1 5 . 1 1 118 118 GLU H H 118 9.339 9.339 8.652 0.687 18728 4678 1 5 . 1 1 119 119 HIS N N 119 113.514 113.514 111.427 2.087 18728 4679 1 5 . 1 1 119 119 HIS HA H 119 4.265 4.265 4.427 -0.162 18728 4680 1 5 . 1 1 119 119 HIS C C 119 176.566 176.566 177.702 -1.136 18728 4681 1 5 . 1 1 119 119 HIS CA C 119 58.917 58.917 57.778 1.139 18728 4682 1 5 . 1 1 119 119 HIS CB C 119 28.187 28.187 28.914 -0.727 18728 4683 1 5 . 1 1 119 119 HIS H H 119 8.240 8.240 8.233 0.007 18728 4684 1 5 . 1 1 120 120 HIS N N 120 118.629 118.629 120.581 -1.952 18728 4685 1 5 . 1 1 120 120 HIS HA H 120 4.332 4.332 4.433 -0.101 18728 4686 1 5 . 1 1 120 120 HIS C C 120 179.713 179.713 177.278 2.435 18728 4687 1 5 . 1 1 120 120 HIS CA C 120 60.310 60.310 58.469 1.841 18728 4688 1 5 . 1 1 120 120 HIS CB C 120 32.233 32.233 30.394 1.839 18728 4689 1 5 . 1 1 120 120 HIS H H 120 6.474 6.474 7.312 -0.838 18728 4690 1 5 . 1 1 121 121 LEU N N 121 117.249 117.249 116.230 1.019 18728 4691 1 5 . 1 1 121 121 LEU HA H 121 4.179 4.179 4.373 -0.194 18728 4692 1 5 . 1 1 121 121 LEU C C 121 178.020 178.020 178.419 -0.399 18728 4693 1 5 . 1 1 121 121 LEU CA C 121 57.924 57.924 57.958 -0.034 18728 4694 1 5 . 1 1 121 121 LEU CB C 121 42.577 42.577 41.196 1.381 18728 4695 1 5 . 1 1 121 121 LEU H H 121 7.132 7.132 7.661 -0.529 18728 4696 1 5 . 1 1 122 122 ARG N N 122 121.766 121.766 120.944 0.822 18728 4697 1 5 . 1 1 122 122 ARG HA H 122 3.741 3.741 4.070 -0.329 18728 4698 1 5 . 1 1 122 122 ARG C C 122 177.023 177.023 178.019 -0.996 18728 4699 1 5 . 1 1 122 122 ARG CA C 122 60.508 60.508 60.031 0.477 18728 4700 1 5 . 1 1 122 122 ARG CB C 122 30.256 30.256 29.837 0.419 18728 4701 1 5 . 1 1 122 122 ARG H H 122 8.759 8.759 9.039 -0.280 18728 4702 1 5 . 1 1 123 123 ASP N N 123 116.299 116.299 117.501 -1.202 18728 4703 1 5 . 1 1 123 123 ASP HA H 123 4.294 4.294 4.637 -0.343 18728 4704 1 5 . 1 1 123 123 ASP C C 123 178.057 178.057 178.256 -0.199 18728 4705 1 5 . 1 1 123 123 ASP CA C 123 57.076 57.076 57.339 -0.263 18728 4706 1 5 . 1 1 123 123 ASP CB C 123 40.572 40.572 40.839 -0.267 18728 4707 1 5 . 1 1 123 123 ASP H H 123 8.423 8.423 7.892 0.531 18728 4708 1 5 . 1 1 124 124 TYR N N 124 115.172 115.172 120.461 -5.289 18728 4709 1 5 . 1 1 124 124 TYR HA H 124 4.338 4.338 4.195 0.143 18728 4710 1 5 . 1 1 124 124 TYR C C 124 177.688 177.688 177.816 -0.128 18728 4711 1 5 . 1 1 124 124 TYR CA C 124 61.660 61.660 61.370 0.290 18728 4712 1 5 . 1 1 124 124 TYR CB C 124 39.847 39.847 38.701 1.146 18728 4713 1 5 . 1 1 124 124 TYR H H 124 7.212 7.212 7.485 -0.273 18728 4714 1 5 . 1 1 125 125 PHE N N 125 113.932 113.932 117.849 -3.917 18728 4715 1 5 . 1 1 125 125 PHE HA H 125 4.515 4.515 4.323 0.192 18728 4716 1 5 . 1 1 125 125 PHE C C 125 178.209 178.209 178.338 -0.129 18728 4717 1 5 . 1 1 125 125 PHE CA C 125 63.404 63.404 61.464 1.940 18728 4718 1 5 . 1 1 125 125 PHE CB C 125 38.614 38.614 38.457 0.157 18728 4719 1 5 . 1 1 125 125 PHE H H 125 8.802 8.802 8.938 -0.136 18728 4720 1 5 . 1 1 126 126 GLU N N 126 120.515 120.515 118.864 1.651 18728 4721 1 5 . 1 1 126 126 GLU HA H 126 4.884 4.884 4.428 0.456 18728 4722 1 5 . 1 1 126 126 GLU C C 126 177.936 177.936 177.265 0.671 18728 4723 1 5 . 1 1 126 126 GLU CA C 126 58.560 58.560 58.233 0.327 18728 4724 1 5 . 1 1 126 126 GLU CB C 126 28.516 28.516 29.283 -0.767 18728 4725 1 5 . 1 1 126 126 GLU H H 126 8.869 8.869 8.282 0.587 18728 4726 1 5 . 1 1 127 127 GLN N N 127 115.855 115.855 115.830 0.025 18728 4727 1 5 . 1 1 127 127 GLN HA H 127 4.055 4.055 3.994 0.061 18728 4728 1 5 . 1 1 127 127 GLN C C 127 176.656 176.656 177.815 -1.159 18728 4729 1 5 . 1 1 127 127 GLN CA C 127 57.566 57.566 57.880 -0.314 18728 4730 1 5 . 1 1 127 127 GLN CB C 127 29.047 29.047 28.749 0.298 18728 4731 1 5 . 1 1 127 127 GLN H H 127 7.105 7.105 7.665 -0.560 18728 4732 1 5 . 1 1 128 128 TYR N N 128 116.626 116.626 116.189 0.437 18728 4733 1 5 . 1 1 128 128 TYR HA H 128 4.328 4.328 4.417 -0.089 18728 4734 1 5 . 1 1 128 128 TYR C C 128 175.596 175.596 175.702 -0.106 18728 4735 1 5 . 1 1 128 128 TYR CA C 128 59.492 59.492 60.034 -0.542 18728 4736 1 5 . 1 1 128 128 TYR CB C 128 39.539 39.539 39.839 -0.300 18728 4737 1 5 . 1 1 128 128 TYR H H 128 7.950 7.950 7.875 0.075 18728 4738 1 5 . 1 1 129 129 GLY N N 129 107.386 107.386 102.658 4.728 18728 4739 1 5 . 1 1 129 129 GLY C C 129 170.407 170.407 172.043 -1.636 18728 4740 1 5 . 1 1 129 129 GLY CA C 129 44.819 44.819 45.237 -0.418 18728 4741 1 5 . 1 1 129 129 GLY H H 129 7.492 7.492 7.598 -0.106 18728 4742 1 5 . 1 1 130 130 LYS N N 130 117.786 117.786 120.897 -3.111 18728 4743 1 5 . 1 1 130 130 LYS HA H 130 4.315 4.315 4.432 -0.117 18728 4744 1 5 . 1 1 130 130 LYS C C 130 177.097 177.097 175.419 1.678 18728 4745 1 5 . 1 1 130 130 LYS CA C 130 56.938 56.938 56.391 0.547 18728 4746 1 5 . 1 1 130 130 LYS CB C 130 33.199 33.199 33.420 -0.221 18728 4747 1 5 . 1 1 130 130 LYS H H 130 8.135 8.135 8.616 -0.481 18728 4748 1 5 . 1 1 131 131 ILE N N 131 127.829 127.829 126.247 1.582 18728 4749 1 5 . 1 1 131 131 ILE HA H 131 3.681 3.681 3.972 -0.291 18728 4750 1 5 . 1 1 131 131 ILE C C 131 175.841 175.841 175.941 -0.100 18728 4751 1 5 . 1 1 131 131 ILE CA C 131 61.625 61.625 60.371 1.254 18728 4752 1 5 . 1 1 131 131 ILE CB C 131 40.441 40.441 39.849 0.592 18728 4753 1 5 . 1 1 131 131 ILE H H 131 8.917 8.917 8.522 0.395 18728 4754 1 5 . 1 1 132 132 GLU N N 132 128.437 128.437 127.547 0.890 18728 4755 1 5 . 1 1 132 132 GLU HA H 132 4.320 4.320 4.343 -0.023 18728 4756 1 5 . 1 1 132 132 GLU C C 132 176.192 176.192 175.883 0.309 18728 4757 1 5 . 1 1 132 132 GLU CA C 132 57.816 57.816 58.086 -0.270 18728 4758 1 5 . 1 1 132 132 GLU CB C 132 31.670 31.670 31.161 0.509 18728 4759 1 5 . 1 1 132 132 GLU H H 132 9.136 9.136 8.721 0.415 18728 4760 1 5 . 1 1 133 133 VAL N N 133 115.096 115.096 117.092 -1.996 18728 4761 1 5 . 1 1 133 133 VAL HA H 133 4.316 4.316 4.303 0.013 18728 4762 1 5 . 1 1 133 133 VAL C C 133 172.860 172.860 173.532 -0.672 18728 4763 1 5 . 1 1 133 133 VAL CA C 133 61.258 61.258 60.880 0.378 18728 4764 1 5 . 1 1 133 133 VAL CB C 133 35.526 35.526 34.730 0.796 18728 4765 1 5 . 1 1 133 133 VAL H H 133 7.272 7.272 7.412 -0.140 18728 4766 1 5 . 1 1 134 134 ILE N N 134 126.870 126.870 124.869 2.001 18728 4767 1 5 . 1 1 134 134 ILE HA H 134 4.464 4.464 4.384 0.080 18728 4768 1 5 . 1 1 134 134 ILE C C 134 174.004 174.004 174.805 -0.801 18728 4769 1 5 . 1 1 134 134 ILE CA C 134 60.904 60.904 60.355 0.549 18728 4770 1 5 . 1 1 134 134 ILE CB C 134 40.408 40.408 39.827 0.581 18728 4771 1 5 . 1 1 134 134 ILE H H 134 8.566 8.566 8.453 0.113 18728 4772 1 5 . 1 1 135 135 GLU N N 135 128.037 128.037 128.938 -0.901 18728 4773 1 5 . 1 1 135 135 GLU HA H 135 4.642 4.642 4.644 -0.002 18728 4774 1 5 . 1 1 135 135 GLU C C 135 174.883 174.883 175.021 -0.138 18728 4775 1 5 . 1 1 135 135 GLU CA C 135 54.640 54.640 55.349 -0.709 18728 4776 1 5 . 1 1 135 135 GLU CB C 135 33.259 33.259 30.703 2.557 18728 4777 1 5 . 1 1 135 135 GLU H H 135 9.019 9.019 8.623 0.396 18728 4778 1 5 . 1 1 136 136 ILE N N 136 126.668 126.668 125.743 0.925 18728 4779 1 5 . 1 1 136 136 ILE HA H 136 3.898 3.898 4.283 -0.385 18728 4780 1 5 . 1 1 136 136 ILE C C 136 176.157 176.157 175.048 1.109 18728 4781 1 5 . 1 1 136 136 ILE CA C 136 61.336 61.336 59.876 1.460 18728 4782 1 5 . 1 1 136 136 ILE CB C 136 37.397 37.397 37.580 -0.183 18728 4783 1 5 . 1 1 136 136 ILE H H 136 8.967 8.967 8.591 0.376 18728 4784 1 5 . 1 1 137 137 MET N N 137 126.115 126.115 128.663 -2.548 18728 4785 1 5 . 1 1 137 137 MET HA H 137 4.679 4.679 4.818 -0.139 18728 4786 1 5 . 1 1 137 137 MET C C 137 176.723 176.723 175.033 1.690 18728 4787 1 5 . 1 1 137 137 MET CA C 137 55.163 55.163 53.662 1.501 18728 4788 1 5 . 1 1 137 137 MET CB C 137 30.841 30.841 31.173 -0.332 18728 4789 1 5 . 1 1 137 137 MET H H 137 7.656 7.656 8.626 -0.970 18728 4790 1 5 . 1 1 138 138 THR N N 138 116.735 116.735 119.762 -3.027 18728 4791 1 5 . 1 1 138 138 THR HA H 138 4.746 4.746 4.733 0.013 18728 4792 1 5 . 1 1 138 138 THR C C 138 173.642 173.642 173.181 0.461 18728 4793 1 5 . 1 1 138 138 THR CA C 138 60.385 60.385 60.901 -0.516 18728 4794 1 5 . 1 1 138 138 THR CB C 138 72.028 72.028 72.126 -0.098 18728 4795 1 5 . 1 1 138 138 THR H H 138 8.551 8.551 8.455 0.096 18728 4796 1 5 . 1 1 139 139 ASP N N 139 123.899 123.899 122.513 1.386 18728 4797 1 5 . 1 1 139 139 ASP HA H 139 4.677 4.677 4.828 -0.151 18728 4798 1 5 . 1 1 139 139 ASP CA C 139 53.728 53.728 52.752 0.977 18728 4799 1 5 . 1 1 139 139 ASP CB C 139 42.270 42.270 42.912 -0.642 18728 4800 1 5 . 1 1 139 139 ASP H H 139 8.818 8.818 8.561 0.257 18728 4801 1 5 . 1 1 140 140 ARG HA H 140 4.037 4.037 4.176 -0.139 18728 4802 1 5 . 1 1 140 140 ARG C C 140 177.886 177.886 177.324 0.562 18728 4803 1 5 . 1 1 140 140 ARG CB C 140 29.886 29.886 30.487 -0.601 18728 4804 1 5 . 1 1 141 141 GLY N N 141 107.951 107.951 107.156 0.795 18728 4805 1 5 . 1 1 141 141 GLY C C 141 174.861 174.861 176.144 -1.283 18728 4806 1 5 . 1 1 141 141 GLY CA C 141 46.490 46.490 46.076 0.414 18728 4807 1 5 . 1 1 141 141 GLY H H 141 8.635 8.635 7.975 0.660 18728 4808 1 5 . 1 1 142 142 SER N N 142 114.044 114.044 116.486 -2.442 18728 4809 1 5 . 1 1 142 142 SER HA H 142 4.533 4.533 4.486 0.047 18728 4810 1 5 . 1 1 142 142 SER C C 142 176.080 176.080 175.355 0.725 18728 4811 1 5 . 1 1 142 142 SER CA C 142 58.429 58.429 58.652 -0.223 18728 4812 1 5 . 1 1 142 142 SER CB C 142 65.439 65.439 63.886 1.553 18728 4813 1 5 . 1 1 142 142 SER H H 142 8.034 8.034 8.950 -0.916 18728 4814 1 5 . 1 1 143 143 GLY N N 143 112.348 112.348 108.426 3.922 18728 4815 1 5 . 1 1 143 143 GLY C C 143 173.949 173.949 173.381 0.568 18728 4816 1 5 . 1 1 143 143 GLY CA C 143 45.703 45.703 45.617 0.085 18728 4817 1 5 . 1 1 143 143 GLY H H 143 8.363 8.363 7.696 0.667 18728 4818 1 5 . 1 1 144 144 LYS N N 144 119.966 119.966 120.009 -0.043 18728 4819 1 5 . 1 1 144 144 LYS HA H 144 4.273 4.273 4.492 -0.219 18728 4820 1 5 . 1 1 144 144 LYS C C 144 176.969 176.969 175.981 0.988 18728 4821 1 5 . 1 1 144 144 LYS CA C 144 56.145 56.145 54.108 2.037 18728 4822 1 5 . 1 1 144 144 LYS CB C 144 33.378 33.378 33.569 -0.191 18728 4823 1 5 . 1 1 144 144 LYS H H 144 7.786 7.786 7.889 -0.103 18728 4824 1 5 . 1 1 145 145 LYS N N 145 123.668 123.668 123.161 0.507 18728 4825 1 5 . 1 1 145 145 LYS HA H 145 4.187 4.187 4.220 -0.033 18728 4826 1 5 . 1 1 145 145 LYS C C 145 177.498 177.498 176.946 0.552 18728 4827 1 5 . 1 1 145 145 LYS CA C 145 57.392 57.392 57.045 0.347 18728 4828 1 5 . 1 1 145 145 LYS CB C 145 32.577 32.577 32.720 -0.143 18728 4829 1 5 . 1 1 145 145 LYS H H 145 8.968 8.968 8.536 0.432 18728 4830 1 5 . 1 1 146 146 ARG N N 146 119.700 119.700 122.912 -3.212 18728 4831 1 5 . 1 1 146 146 ARG HA H 146 4.294 4.294 4.156 0.138 18728 4832 1 5 . 1 1 146 146 ARG CA C 146 56.365 56.365 54.856 1.509 18728 4833 1 5 . 1 1 146 146 ARG CB C 146 30.786 30.786 29.222 1.564 18728 4834 1 5 . 1 1 146 146 ARG H H 146 8.095 8.095 8.766 -0.671 18728 4835 1 5 . 1 1 147 147 GLY N N 147 110.572 110.572 107.127 3.445 18728 4836 1 5 . 1 1 147 147 GLY C C 147 173.384 173.384 173.021 0.363 18728 4837 1 5 . 1 1 147 147 GLY CA C 147 45.440 45.440 45.646 -0.206 18728 4838 1 5 . 1 1 147 147 GLY H H 147 8.401 8.401 8.503 -0.102 18728 4839 1 5 . 1 1 148 148 PHE N N 148 114.199 114.199 113.673 0.526 18728 4840 1 5 . 1 1 148 148 PHE HA H 148 5.194 5.194 5.399 -0.205 18728 4841 1 5 . 1 1 148 148 PHE C C 148 172.409 172.409 172.716 -0.307 18728 4842 1 5 . 1 1 148 148 PHE CA C 148 55.282 55.282 54.763 0.519 18728 4843 1 5 . 1 1 148 148 PHE CB C 148 41.869 41.869 40.758 1.111 18728 4844 1 5 . 1 1 148 148 PHE H H 148 7.255 7.255 6.993 0.262 18728 4845 1 5 . 1 1 149 149 ALA N N 149 121.427 121.427 120.299 1.128 18728 4846 1 5 . 1 1 149 149 ALA HA H 149 4.966 4.966 4.897 0.069 18728 4847 1 5 . 1 1 149 149 ALA C C 149 174.084 174.084 174.454 -0.370 18728 4848 1 5 . 1 1 149 149 ALA CA C 149 49.755 49.755 50.642 -0.887 18728 4849 1 5 . 1 1 149 149 ALA CB C 149 25.094 25.094 22.654 2.440 18728 4850 1 5 . 1 1 149 149 ALA H H 149 8.786 8.786 8.855 -0.069 18728 4851 1 5 . 1 1 150 150 PHE N N 150 114.425 114.425 115.716 -1.291 18728 4852 1 5 . 1 1 150 150 PHE HA H 150 5.874 5.874 5.472 0.402 18728 4853 1 5 . 1 1 150 150 PHE C C 150 176.196 176.196 174.346 1.850 18728 4854 1 5 . 1 1 150 150 PHE CA C 150 56.070 56.070 57.135 -1.065 18728 4855 1 5 . 1 1 150 150 PHE CB C 150 43.251 43.251 44.393 -1.142 18728 4856 1 5 . 1 1 150 150 PHE H H 150 8.689 8.689 9.019 -0.330 18728 4857 1 5 . 1 1 151 151 VAL N N 151 122.489 122.489 121.137 1.352 18728 4858 1 5 . 1 1 151 151 VAL HA H 151 4.375 4.375 4.570 -0.195 18728 4859 1 5 . 1 1 151 151 VAL C C 151 173.932 173.932 173.660 0.272 18728 4860 1 5 . 1 1 151 151 VAL CA C 151 61.454 61.454 60.844 0.610 18728 4861 1 5 . 1 1 151 151 VAL CB C 151 33.869 33.869 35.522 -1.653 18728 4862 1 5 . 1 1 151 151 VAL H H 151 8.559 8.559 8.519 0.040 18728 4863 1 5 . 1 1 152 152 THR N N 152 123.112 123.112 125.210 -2.098 18728 4864 1 5 . 1 1 152 152 THR HA H 152 4.995 4.995 4.911 0.084 18728 4865 1 5 . 1 1 152 152 THR C C 152 174.047 174.047 173.618 0.429 18728 4866 1 5 . 1 1 152 152 THR CA C 152 61.931 61.931 62.141 -0.209 18728 4867 1 5 . 1 1 152 152 THR CB C 152 69.689 69.689 69.944 -0.255 18728 4868 1 5 . 1 1 152 152 THR H H 152 8.723 8.723 8.875 -0.152 18728 4869 1 5 . 1 1 153 153 PHE N N 153 127.746 127.746 126.470 1.276 18728 4870 1 5 . 1 1 153 153 PHE HA H 153 4.840 4.840 4.667 0.173 18728 4871 1 5 . 1 1 153 153 PHE C C 153 174.720 174.720 174.906 -0.186 18728 4872 1 5 . 1 1 153 153 PHE CA C 153 58.098 58.098 58.363 -0.265 18728 4873 1 5 . 1 1 153 153 PHE CB C 153 41.706 41.706 41.542 0.164 18728 4874 1 5 . 1 1 153 153 PHE H H 153 9.368 9.368 9.288 0.080 18728 4875 1 5 . 1 1 154 154 ASP N N 154 118.371 118.371 119.961 -1.590 18728 4876 1 5 . 1 1 154 154 ASP HA H 154 4.486 4.486 4.786 -0.300 18728 4877 1 5 . 1 1 154 154 ASP C C 154 175.668 175.668 175.432 0.236 18728 4878 1 5 . 1 1 154 154 ASP CA C 154 56.114 56.114 56.022 0.092 18728 4879 1 5 . 1 1 154 154 ASP CB C 154 42.576 42.576 42.838 -0.262 18728 4880 1 5 . 1 1 154 154 ASP H H 154 8.196 8.196 9.020 -0.824 18728 4881 1 5 . 1 1 155 155 ASP N N 155 117.144 117.144 117.742 -0.598 18728 4882 1 5 . 1 1 155 155 ASP HA H 155 4.909 4.909 4.879 0.030 18728 4883 1 5 . 1 1 155 155 ASP C C 155 176.392 176.392 175.260 1.132 18728 4884 1 5 . 1 1 155 155 ASP CA C 155 52.615 52.615 52.838 -0.223 18728 4885 1 5 . 1 1 155 155 ASP CB C 155 44.471 44.471 44.089 0.382 18728 4886 1 5 . 1 1 155 155 ASP H H 155 8.323 8.323 7.588 0.735 18728 4887 1 5 . 1 1 156 156 HIS N N 156 121.508 121.508 118.578 2.930 18728 4888 1 5 . 1 1 156 156 HIS HA H 156 4.336 4.336 4.482 -0.146 18728 4889 1 5 . 1 1 156 156 HIS C C 156 176.855 176.855 176.115 0.740 18728 4890 1 5 . 1 1 156 156 HIS CA C 156 58.593 58.593 57.167 1.426 18728 4891 1 5 . 1 1 156 156 HIS CB C 156 29.703 29.703 30.123 -0.420 18728 4892 1 5 . 1 1 156 156 HIS H H 156 8.492 8.492 8.438 0.054 18728 4893 1 5 . 1 1 157 157 ASP N N 157 122.539 122.539 120.285 2.254 18728 4894 1 5 . 1 1 157 157 ASP HA H 157 4.254 4.254 4.303 -0.049 18728 4895 1 5 . 1 1 157 157 ASP C C 157 178.233 178.233 178.166 0.067 18728 4896 1 5 . 1 1 157 157 ASP CA C 157 57.047 57.047 57.412 -0.365 18728 4897 1 5 . 1 1 157 157 ASP CB C 157 40.875 40.875 40.461 0.414 18728 4898 1 5 . 1 1 157 157 ASP H H 157 8.345 8.345 8.047 0.298 18728 4899 1 5 . 1 1 158 158 SER N N 158 113.623 113.623 114.334 -0.711 18728 4900 1 5 . 1 1 158 158 SER HA H 158 3.899 3.899 4.117 -0.218 18728 4901 1 5 . 1 1 158 158 SER C C 158 174.750 174.750 175.971 -1.221 18728 4902 1 5 . 1 1 158 158 SER CA C 158 61.914 61.914 61.457 0.457 18728 4903 1 5 . 1 1 158 158 SER CB C 158 63.088 63.088 62.420 0.667 18728 4904 1 5 . 1 1 158 158 SER H H 158 7.424 7.424 8.313 -0.889 18728 4905 1 5 . 1 1 159 159 VAL N N 159 118.448 118.448 122.633 -4.185 18728 4906 1 5 . 1 1 159 159 VAL HA H 159 2.913 2.913 3.365 -0.452 18728 4907 1 5 . 1 1 159 159 VAL C C 159 177.269 177.269 177.289 -0.020 18728 4908 1 5 . 1 1 159 159 VAL CA C 159 66.512 66.512 66.264 0.248 18728 4909 1 5 . 1 1 159 159 VAL CB C 159 31.395 31.395 31.657 -0.262 18728 4910 1 5 . 1 1 159 159 VAL H H 159 6.484 6.484 6.925 -0.441 18728 4911 1 5 . 1 1 160 160 ASP N N 160 119.064 119.064 119.584 -0.520 18728 4912 1 5 . 1 1 160 160 ASP HA H 160 4.275 4.275 4.403 -0.128 18728 4913 1 5 . 1 1 160 160 ASP C C 160 178.284 178.284 178.800 -0.516 18728 4914 1 5 . 1 1 160 160 ASP CA C 160 57.798 57.798 57.062 0.736 18728 4915 1 5 . 1 1 160 160 ASP CB C 160 40.288 40.288 40.450 -0.162 18728 4916 1 5 . 1 1 160 160 ASP H H 160 7.663 7.663 8.229 -0.566 18728 4917 1 5 . 1 1 161 161 LYS N N 161 116.568 116.568 119.413 -2.845 18728 4918 1 5 . 1 1 161 161 LYS HA H 161 4.030 4.030 4.060 -0.030 18728 4919 1 5 . 1 1 161 161 LYS C C 161 178.205 178.205 178.277 -0.072 18728 4920 1 5 . 1 1 161 161 LYS CA C 161 58.796 58.796 59.311 -0.515 18728 4921 1 5 . 1 1 161 161 LYS CB C 161 33.298 33.298 32.596 0.702 18728 4922 1 5 . 1 1 161 161 LYS H H 161 7.465 7.465 7.783 -0.318 18728 4923 1 5 . 1 1 162 162 ILE N N 162 119.457 119.457 117.049 2.408 18728 4924 1 5 . 1 1 162 162 ILE HA H 162 3.241 3.241 3.691 -0.450 18728 4925 1 5 . 1 1 162 162 ILE C C 162 179.129 179.129 177.983 1.146 18728 4926 1 5 . 1 1 162 162 ILE CA C 162 65.201 65.201 64.248 0.953 18728 4927 1 5 . 1 1 162 162 ILE CB C 162 39.170 39.170 38.356 0.814 18728 4928 1 5 . 1 1 162 162 ILE H H 162 7.367 7.367 7.032 0.335 18728 4929 1 5 . 1 1 163 163 VAL N N 163 109.705 109.705 115.981 -6.276 18728 4930 1 5 . 1 1 163 163 VAL HA H 163 4.093 4.093 4.026 0.067 18728 4931 1 5 . 1 1 163 163 VAL C C 163 176.685 176.685 176.562 0.123 18728 4932 1 5 . 1 1 163 163 VAL CA C 163 64.137 64.137 64.457 -0.320 18728 4933 1 5 . 1 1 163 163 VAL CB C 163 30.720 30.720 31.038 -0.318 18728 4934 1 5 . 1 1 163 163 VAL H H 163 7.814 7.814 7.955 -0.141 18728 4935 1 5 . 1 1 164 164 ILE N N 164 118.885 118.885 119.083 -0.198 18728 4936 1 5 . 1 1 164 164 ILE HA H 164 3.968 3.968 3.845 0.123 18728 4937 1 5 . 1 1 164 164 ILE C C 164 176.006 176.006 176.403 -0.397 18728 4938 1 5 . 1 1 164 164 ILE CA C 164 63.328 63.328 63.786 -0.458 18728 4939 1 5 . 1 1 164 164 ILE CB C 164 38.136 38.136 38.175 -0.039 18728 4940 1 5 . 1 1 164 164 ILE H H 164 6.979 6.979 7.345 -0.366 18728 4941 1 5 . 1 1 165 165 GLN N N 165 120.509 120.509 117.422 3.087 18728 4942 1 5 . 1 1 165 165 GLN HA H 165 4.472 4.472 4.510 -0.038 18728 4943 1 5 . 1 1 165 165 GLN C C 165 174.808 174.808 174.991 -0.183 18728 4944 1 5 . 1 1 165 165 GLN CA C 165 54.743 54.743 54.344 0.399 18728 4945 1 5 . 1 1 165 165 GLN CB C 165 30.183 30.183 29.208 0.975 18728 4946 1 5 . 1 1 165 165 GLN H H 165 7.490 7.490 7.942 -0.452 18728 4947 1 5 . 1 1 166 166 LYS N N 166 122.953 122.953 123.931 -0.978 18728 4948 1 5 . 1 1 166 166 LYS HA H 166 3.992 3.992 4.097 -0.105 18728 4949 1 5 . 1 1 166 166 LYS C C 166 175.496 175.496 175.335 0.161 18728 4950 1 5 . 1 1 166 166 LYS CA C 166 59.718 59.718 59.022 0.696 18728 4951 1 5 . 1 1 166 166 LYS CB C 166 33.115 33.115 33.000 0.115 18728 4952 1 5 . 1 1 166 166 LYS H H 166 8.085 8.085 8.537 -0.452 18728 4953 1 5 . 1 1 167 167 TYR N N 167 114.210 114.210 114.852 -0.642 18728 4954 1 5 . 1 1 167 167 TYR HA H 167 5.457 5.457 5.596 -0.139 18728 4955 1 5 . 1 1 167 167 TYR C C 167 175.593 175.593 175.695 -0.102 18728 4956 1 5 . 1 1 167 167 TYR CA C 167 56.417 56.417 56.097 0.320 18728 4957 1 5 . 1 1 167 167 TYR CB C 167 40.057 40.057 41.341 -1.284 18728 4958 1 5 . 1 1 167 167 TYR H H 167 7.740 7.740 7.580 0.160 18728 4959 1 5 . 1 1 168 168 HIS N N 168 122.617 122.617 122.051 0.566 18728 4960 1 5 . 1 1 168 168 HIS HA H 168 4.526 4.526 5.074 -0.548 18728 4961 1 5 . 1 1 168 168 HIS C C 168 174.213 174.213 174.109 0.104 18728 4962 1 5 . 1 1 168 168 HIS CA C 168 55.233 55.233 55.128 0.105 18728 4963 1 5 . 1 1 168 168 HIS CB C 168 34.906 34.906 35.088 -0.182 18728 4964 1 5 . 1 1 168 168 HIS H H 168 9.035 9.035 9.501 -0.466 18728 4965 1 5 . 1 1 169 169 THR N N 169 121.981 121.981 118.792 3.189 18728 4966 1 5 . 1 1 169 169 THR HA H 169 4.722 4.722 5.043 -0.321 18728 4967 1 5 . 1 1 169 169 THR C C 169 172.973 172.973 173.420 -0.447 18728 4968 1 5 . 1 1 169 169 THR CA C 169 61.620 61.620 61.562 0.058 18728 4969 1 5 . 1 1 169 169 THR CB C 169 68.692 68.692 69.457 -0.765 18728 4970 1 5 . 1 1 169 169 THR H H 169 8.784 8.784 8.729 0.055 18728 4971 1 5 . 1 1 170 170 VAL N N 170 125.540 125.540 125.925 -0.385 18728 4972 1 5 . 1 1 170 170 VAL HA H 170 3.751 3.751 4.110 -0.359 18728 4973 1 5 . 1 1 170 170 VAL C C 170 175.997 175.997 174.453 1.544 18728 4974 1 5 . 1 1 170 170 VAL CA C 170 60.770 60.770 60.634 0.136 18728 4975 1 5 . 1 1 170 170 VAL CB C 170 34.216 34.216 34.040 0.176 18728 4976 1 5 . 1 1 170 170 VAL H H 170 8.268 8.268 8.653 -0.385 18728 4977 1 5 . 1 1 171 171 ASN N N 171 126.811 126.811 126.045 0.766 18728 4978 1 5 . 1 1 171 171 ASN HA H 171 4.065 4.065 4.345 -0.280 18728 4979 1 5 . 1 1 171 171 ASN C C 171 174.266 174.266 174.622 -0.356 18728 4980 1 5 . 1 1 171 171 ASN CA C 171 53.184 53.184 53.707 -0.523 18728 4981 1 5 . 1 1 171 171 ASN CB C 171 37.436 37.436 37.897 -0.461 18728 4982 1 5 . 1 1 171 171 ASN H H 171 9.437 9.437 8.696 0.741 18728 4983 1 5 . 1 1 172 172 GLY N N 172 100.629 100.629 102.687 -2.058 18728 4984 1 5 . 1 1 172 172 GLY C C 172 173.335 173.335 173.717 -0.382 18728 4985 1 5 . 1 1 172 172 GLY CA C 172 45.154 45.154 45.105 0.049 18728 4986 1 5 . 1 1 172 172 GLY H H 172 8.194 8.194 8.260 -0.066 18728 4987 1 5 . 1 1 173 173 HIS N N 173 119.555 119.555 120.142 -0.587 18728 4988 1 5 . 1 1 173 173 HIS HA H 173 4.860 4.860 4.765 0.095 18728 4989 1 5 . 1 1 173 173 HIS CA C 173 53.723 53.723 55.065 -1.342 18728 4990 1 5 . 1 1 173 173 HIS CB C 173 31.589 31.589 31.887 -0.298 18728 4991 1 5 . 1 1 173 173 HIS H H 173 7.657 7.657 7.813 -0.156 18728 4992 1 5 . 1 1 174 174 ASN N N 174 122.936 122.936 125.366 -2.430 18728 4993 1 5 . 1 1 174 174 ASN HA H 174 4.794 4.794 5.066 -0.272 18728 4994 1 5 . 1 1 174 174 ASN C C 174 174.918 174.918 175.126 -0.208 18728 4995 1 5 . 1 1 174 174 ASN CA C 174 53.748 53.748 52.904 0.844 18728 4996 1 5 . 1 1 174 174 ASN CB C 174 38.185 38.185 38.947 -0.762 18728 4997 1 5 . 1 1 174 174 ASN H H 174 8.828 8.828 8.869 -0.041 18728 4998 1 5 . 1 1 175 175 CYS N N 175 126.425 126.425 124.344 2.081 18728 4999 1 5 . 1 1 175 175 CYS HA H 175 4.872 4.872 5.206 -0.334 18728 5000 1 5 . 1 1 175 175 CYS C C 175 173.853 173.853 173.558 0.295 18728 5001 1 5 . 1 1 175 175 CYS CA C 175 59.380 59.380 55.439 3.941 18728 5002 1 5 . 1 1 175 175 CYS CB C 175 29.966 29.966 30.887 -0.921 18728 5003 1 5 . 1 1 175 175 CYS H H 175 9.078 9.078 9.264 -0.186 18728 5004 1 5 . 1 1 176 176 GLU N N 176 124.488 124.488 121.748 2.740 18728 5005 1 5 . 1 1 176 176 GLU HA H 176 4.661 4.661 4.740 -0.079 18728 5006 1 5 . 1 1 176 176 GLU C C 176 175.343 175.343 175.470 -0.127 18728 5007 1 5 . 1 1 176 176 GLU CA C 176 55.296 55.296 55.316 -0.020 18728 5008 1 5 . 1 1 176 176 GLU CB C 176 31.550 31.550 30.895 0.655 18728 5009 1 5 . 1 1 176 176 GLU H H 176 8.161 8.161 9.090 -0.929 18728 5010 1 5 . 1 1 177 177 VAL N N 177 122.521 122.521 126.772 -4.251 18728 5011 1 5 . 1 1 177 177 VAL HA H 177 5.628 5.628 5.476 0.152 18728 5012 1 5 . 1 1 177 177 VAL C C 177 175.720 175.720 174.420 1.300 18728 5013 1 5 . 1 1 177 177 VAL CA C 177 59.713 59.713 60.437 -0.724 18728 5014 1 5 . 1 1 177 177 VAL CB C 177 34.523 34.523 33.995 0.528 18728 5015 1 5 . 1 1 177 177 VAL H H 177 8.684 8.684 8.961 -0.277 18728 5016 1 5 . 1 1 178 178 ARG N N 178 119.915 119.915 122.954 -3.039 18728 5017 1 5 . 1 1 178 178 ARG HA H 178 4.746 4.746 4.797 -0.051 18728 5018 1 5 . 1 1 178 178 ARG C C 178 175.689 175.689 174.795 0.894 18728 5019 1 5 . 1 1 178 178 ARG CA C 178 54.212 54.212 54.139 0.073 18728 5020 1 5 . 1 1 178 178 ARG CB C 178 34.184 34.184 33.576 0.608 18728 5021 1 5 . 1 1 178 178 ARG H H 178 8.701 8.701 8.717 -0.016 18728 5022 1 5 . 1 1 179 179 LYS N N 179 121.001 121.001 121.154 -0.153 18728 5023 1 5 . 1 1 179 179 LYS HA H 179 4.098 4.098 4.211 -0.113 18728 5024 1 5 . 1 1 179 179 LYS C C 179 176.026 176.026 176.031 -0.005 18728 5025 1 5 . 1 1 179 179 LYS CA C 179 59.027 59.027 56.653 2.374 18728 5026 1 5 . 1 1 179 179 LYS CB C 179 33.377 33.377 31.299 2.078 18728 5027 1 5 . 1 1 179 179 LYS H H 179 8.990 8.990 8.283 0.707 18728 5028 1 5 . 1 1 180 180 ALA N N 180 126.810 126.810 128.236 -1.426 18728 5029 1 5 . 1 1 180 180 ALA HA H 180 4.565 4.565 4.691 -0.126 18728 5030 1 5 . 1 1 180 180 ALA C C 180 175.318 175.318 175.632 -0.314 18728 5031 1 5 . 1 1 180 180 ALA CA C 180 51.432 51.432 50.750 0.682 18728 5032 1 5 . 1 1 180 180 ALA CB C 180 19.201 19.201 21.009 -1.808 18728 5033 1 5 . 1 1 180 180 ALA H H 180 8.378 8.378 8.497 -0.119 18728 5034 1 5 . 1 1 181 181 LEU N N 181 122.300 122.300 124.527 -2.227 18728 5035 1 5 . 1 1 181 181 LEU HA H 181 4.401 4.401 4.549 -0.148 18728 5036 1 5 . 1 1 181 181 LEU CA C 181 54.737 54.737 53.850 0.887 18728 5037 1 5 . 1 1 181 181 LEU CB C 181 43.199 43.199 42.926 0.273 18728 5038 1 5 . 1 1 181 181 LEU H H 181 8.001 8.001 8.544 -0.543 18728 5039 1 5 . 1 1 182 182 SER HA H 182 4.406 4.406 4.271 0.135 18728 5040 1 5 . 1 1 182 182 SER CA C 182 58.100 58.100 57.161 0.939 18728 5041 1 5 . 1 1 182 182 SER CB C 182 64.440 64.440 64.835 -0.395 18728 5042 1 5 . 1 1 183 183 LYS HA H 183 4.101 4.101 4.019 0.082 18728 5043 1 5 . 1 1 183 183 LYS C C 183 177.343 177.343 178.688 -1.345 18728 5044 1 5 . 1 1 183 183 LYS CA C 183 57.744 57.744 59.190 -1.446 18728 5045 1 5 . 1 1 183 183 LYS CB C 183 32.586 32.586 31.864 0.721 18728 5046 1 5 . 1 1 184 184 GLN N N 184 120.056 120.056 118.260 1.796 18728 5047 1 5 . 1 1 184 184 GLN HA H 184 4.167 4.167 4.240 -0.073 18728 5048 1 5 . 1 1 184 184 GLN C C 184 176.718 176.718 178.033 -1.315 18728 5049 1 5 . 1 1 184 184 GLN CA C 184 56.981 56.981 58.900 -1.919 18728 5050 1 5 . 1 1 184 184 GLN CB C 184 28.990 28.990 28.944 0.046 18728 5051 1 5 . 1 1 184 184 GLN H H 184 8.320 8.320 7.642 0.678 18728 5052 1 5 . 1 1 185 185 GLU N N 185 121.610 121.610 119.302 2.308 18728 5053 1 5 . 1 1 185 185 GLU HA H 185 4.132 4.132 4.103 0.029 18728 5054 1 5 . 1 1 185 185 GLU C C 185 177.117 177.117 179.087 -1.970 18728 5055 1 5 . 1 1 185 185 GLU CA C 185 57.234 57.234 58.620 -1.386 18728 5056 1 5 . 1 1 185 185 GLU CB C 185 30.235 30.235 29.533 0.702 18728 5057 1 5 . 1 1 185 185 GLU H H 185 8.143 8.143 7.449 0.694 18728 5058 1 5 . 1 1 186 186 MET N N 186 120.092 120.092 119.133 0.959 18728 5059 1 5 . 1 1 186 186 MET HA H 186 4.289 4.289 4.078 0.211 18728 5060 1 5 . 1 1 186 186 MET C C 186 176.438 176.438 178.828 -2.390 18728 5061 1 5 . 1 1 186 186 MET CA C 186 56.069 56.069 59.413 -3.344 18728 5062 1 5 . 1 1 186 186 MET CB C 186 32.847 32.847 32.681 0.166 18728 5063 1 5 . 1 1 186 186 MET H H 186 8.195 8.195 8.650 -0.455 18728 5064 1 5 . 1 1 187 187 ALA N N 187 124.104 124.104 120.547 3.557 18728 5065 1 5 . 1 1 187 187 ALA HA H 187 4.297 4.297 4.222 0.075 18728 5066 1 5 . 1 1 187 187 ALA C C 187 178.107 178.107 177.538 0.569 18728 5067 1 5 . 1 1 187 187 ALA CA C 187 52.912 52.912 53.782 -0.870 18728 5068 1 5 . 1 1 187 187 ALA CB C 187 19.060 19.060 18.679 0.381 18728 5069 1 5 . 1 1 187 187 ALA H H 187 8.060 8.060 7.749 0.311 18728 5070 1 5 . 1 1 188 188 SER N N 188 114.374 114.374 110.103 4.271 18728 5071 1 5 . 1 1 188 188 SER HA H 188 4.357 4.357 4.146 0.211 18728 5072 1 5 . 1 1 188 188 SER C C 188 174.757 174.757 173.812 0.945 18728 5073 1 5 . 1 1 188 188 SER CA C 188 58.598 58.598 58.953 -0.355 18728 5074 1 5 . 1 1 188 188 SER CB C 188 63.734 63.734 60.809 2.925 18728 5075 1 5 . 1 1 188 188 SER H H 188 8.173 8.173 7.988 0.185 18728 5076 1 5 . 1 1 189 189 ALA N N 189 125.637 125.637 121.543 4.094 18728 5077 1 5 . 1 1 189 189 ALA HA H 189 4.246 4.246 4.585 -0.339 18728 5078 1 5 . 1 1 189 189 ALA CA C 189 53.015 53.015 51.185 1.830 18728 5079 1 5 . 1 1 189 189 ALA CB C 189 19.069 19.069 21.089 -2.020 18728 5080 1 5 . 1 1 189 189 ALA H H 189 8.207 8.207 7.418 0.789 18728 5081 1 6 . 1 1 5 5 GLU N N 5 122.509 122.509 122.545 -0.036 18728 5082 1 6 . 1 1 5 5 GLU HA H 5 4.345 4.345 4.336 0.009 18728 5083 1 6 . 1 1 5 5 GLU C C 5 176.240 176.240 175.555 0.685 18728 5084 1 6 . 1 1 5 5 GLU CA C 5 56.190 56.190 56.608 -0.418 18728 5085 1 6 . 1 1 5 5 GLU CB C 5 30.611 30.611 29.790 0.821 18728 5086 1 6 . 1 1 5 5 GLU H H 5 8.321 8.321 7.329 0.992 18728 5087 1 6 . 1 1 6 6 SER N N 6 118.728 118.728 118.874 -0.146 18728 5088 1 6 . 1 1 6 6 SER HA H 6 4.342 4.342 4.323 0.019 18728 5089 1 6 . 1 1 6 6 SER CA C 6 56.305 56.305 58.152 -1.847 18728 5090 1 6 . 1 1 6 6 SER CB C 6 63.241 63.241 62.011 1.230 18728 5091 1 6 . 1 1 6 6 SER H H 6 8.349 8.349 8.749 -0.400 18728 5092 1 6 . 1 1 7 7 PRO HA H 7 4.427 4.427 4.540 -0.113 18728 5093 1 6 . 1 1 7 7 PRO C C 7 177.027 177.027 176.623 0.404 18728 5094 1 6 . 1 1 7 7 PRO CA C 7 63.271 63.271 62.890 0.381 18728 5095 1 6 . 1 1 7 7 PRO CB C 7 32.111 32.111 32.444 -0.333 18728 5096 1 6 . 1 1 8 8 LYS N N 8 121.819 121.819 119.880 1.939 18728 5097 1 6 . 1 1 8 8 LYS HA H 8 4.290 4.290 4.530 -0.240 18728 5098 1 6 . 1 1 8 8 LYS C C 8 177.015 177.015 176.154 0.861 18728 5099 1 6 . 1 1 8 8 LYS CA C 8 56.455 56.455 56.601 -0.146 18728 5100 1 6 . 1 1 8 8 LYS CB C 8 33.341 33.341 32.937 0.404 18728 5101 1 6 . 1 1 8 8 LYS H H 8 8.445 8.445 8.654 -0.209 18728 5102 1 6 . 1 1 9 9 GLU N N 9 121.243 121.243 121.025 0.218 18728 5103 1 6 . 1 1 9 9 GLU HA H 9 4.606 4.606 4.455 0.151 18728 5104 1 6 . 1 1 9 9 GLU CA C 9 54.480 54.480 54.498 -0.018 18728 5105 1 6 . 1 1 9 9 GLU CB C 9 29.572 29.572 29.357 0.215 18728 5106 1 6 . 1 1 9 9 GLU H H 9 8.313 8.313 8.025 0.288 18728 5107 1 6 . 1 1 10 10 PRO HA H 10 4.335 4.335 4.405 -0.070 18728 5108 1 6 . 1 1 10 10 PRO C C 10 177.491 177.491 177.622 -0.131 18728 5109 1 6 . 1 1 10 10 PRO CA C 10 63.587 63.587 62.395 1.192 18728 5110 1 6 . 1 1 10 10 PRO CB C 10 32.374 32.374 32.884 -0.510 18728 5111 1 6 . 1 1 11 11 GLU N N 11 123.071 123.071 120.102 2.969 18728 5112 1 6 . 1 1 11 11 GLU HA H 11 3.686 3.686 3.861 -0.175 18728 5113 1 6 . 1 1 11 11 GLU C C 11 177.984 177.984 178.148 -0.164 18728 5114 1 6 . 1 1 11 11 GLU CA C 11 59.651 59.651 59.453 0.198 18728 5115 1 6 . 1 1 11 11 GLU CB C 11 29.819 29.819 29.008 0.811 18728 5116 1 6 . 1 1 11 11 GLU H H 11 8.692 8.692 8.811 -0.119 18728 5117 1 6 . 1 1 12 12 GLN N N 12 116.079 116.079 115.360 0.719 18728 5118 1 6 . 1 1 12 12 GLN HA H 12 3.979 3.979 4.154 -0.175 18728 5119 1 6 . 1 1 12 12 GLN C C 12 177.579 177.579 176.927 0.652 18728 5120 1 6 . 1 1 12 12 GLN CA C 12 58.526 58.526 58.194 0.332 18728 5121 1 6 . 1 1 12 12 GLN CB C 12 28.112 28.112 28.300 -0.188 18728 5122 1 6 . 1 1 12 12 GLN H H 12 8.647 8.647 8.279 0.368 18728 5123 1 6 . 1 1 13 13 LEU N N 13 116.530 116.530 117.938 -1.408 18728 5124 1 6 . 1 1 13 13 LEU HA H 13 4.264 4.264 4.347 -0.083 18728 5125 1 6 . 1 1 13 13 LEU C C 13 177.080 177.080 177.640 -0.560 18728 5126 1 6 . 1 1 13 13 LEU CA C 13 55.945 55.945 56.176 -0.231 18728 5127 1 6 . 1 1 13 13 LEU CB C 13 42.317 42.317 42.618 -0.301 18728 5128 1 6 . 1 1 13 13 LEU H H 13 7.471 7.471 7.618 -0.147 18728 5129 1 6 . 1 1 14 14 ARG N N 14 116.981 116.981 113.360 3.621 18728 5130 1 6 . 1 1 14 14 ARG HA H 14 4.417 4.417 4.531 -0.114 18728 5131 1 6 . 1 1 14 14 ARG C C 14 172.996 172.996 175.662 -2.666 18728 5132 1 6 . 1 1 14 14 ARG CA C 14 56.067 56.067 55.529 0.538 18728 5133 1 6 . 1 1 14 14 ARG CB C 14 29.944 29.944 30.924 -0.980 18728 5134 1 6 . 1 1 14 14 ARG H H 14 7.576 7.576 7.374 0.202 18728 5135 1 6 . 1 1 15 15 LYS N N 15 119.990 119.990 122.103 -2.113 18728 5136 1 6 . 1 1 15 15 LYS HA H 15 5.198 5.198 5.147 0.051 18728 5137 1 6 . 1 1 15 15 LYS CA C 15 55.301 55.301 55.267 0.034 18728 5138 1 6 . 1 1 15 15 LYS CB C 15 35.888 35.888 35.442 0.446 18728 5139 1 6 . 1 1 15 15 LYS H H 15 6.946 6.946 7.702 -0.756 18728 5140 1 6 . 1 1 16 16 LEU N N 16 126.081 126.081 123.681 2.400 18728 5141 1 6 . 1 1 16 16 LEU HA H 16 5.016 5.016 5.331 -0.315 18728 5142 1 6 . 1 1 16 16 LEU C C 16 176.309 176.309 175.711 0.598 18728 5143 1 6 . 1 1 16 16 LEU CA C 16 53.334 53.334 53.051 0.283 18728 5144 1 6 . 1 1 16 16 LEU CB C 16 45.062 45.062 45.272 -0.210 18728 5145 1 6 . 1 1 16 16 LEU H H 16 9.605 9.605 8.978 0.627 18728 5146 1 6 . 1 1 17 17 PHE N N 17 123.569 123.569 125.581 -2.012 18728 5147 1 6 . 1 1 17 17 PHE HA H 17 4.585 4.585 5.155 -0.570 18728 5148 1 6 . 1 1 17 17 PHE C C 17 174.362 174.362 174.291 0.071 18728 5149 1 6 . 1 1 17 17 PHE CA C 17 57.153 57.153 55.793 1.360 18728 5150 1 6 . 1 1 17 17 PHE CB C 17 40.603 40.603 40.466 0.137 18728 5151 1 6 . 1 1 17 17 PHE H H 17 9.023 9.023 9.290 -0.267 18728 5152 1 6 . 1 1 18 18 ILE N N 18 126.932 126.932 128.834 -1.902 18728 5153 1 6 . 1 1 18 18 ILE HA H 18 4.029 4.029 4.262 -0.233 18728 5154 1 6 . 1 1 18 18 ILE C C 18 173.832 173.832 175.101 -1.269 18728 5155 1 6 . 1 1 18 18 ILE CA C 18 59.156 59.156 58.211 0.945 18728 5156 1 6 . 1 1 18 18 ILE CB C 18 36.909 36.909 36.419 0.490 18728 5157 1 6 . 1 1 18 18 ILE H H 18 8.486 8.486 8.678 -0.192 18728 5158 1 6 . 1 1 19 19 GLY N N 19 112.953 112.953 112.874 0.079 18728 5159 1 6 . 1 1 19 19 GLY C C 19 174.426 174.426 173.729 0.697 18728 5160 1 6 . 1 1 19 19 GLY CA C 19 43.611 43.611 43.164 0.447 18728 5161 1 6 . 1 1 19 19 GLY H H 19 7.948 7.948 8.788 -0.840 18728 5162 1 6 . 1 1 20 20 GLY N N 20 107.584 107.584 111.276 -3.692 18728 5163 1 6 . 1 1 20 20 GLY C C 20 175.563 175.563 174.342 1.221 18728 5164 1 6 . 1 1 20 20 GLY CA C 20 46.530 46.530 45.056 1.474 18728 5165 1 6 . 1 1 20 20 GLY H H 20 8.542 8.542 8.073 0.469 18728 5166 1 6 . 1 1 21 21 LEU N N 21 115.232 115.232 120.561 -5.329 18728 5167 1 6 . 1 1 21 21 LEU HA H 21 4.025 4.025 4.191 -0.166 18728 5168 1 6 . 1 1 21 21 LEU C C 21 179.121 179.121 176.923 2.198 18728 5169 1 6 . 1 1 21 21 LEU CA C 21 54.192 54.192 54.245 -0.053 18728 5170 1 6 . 1 1 21 21 LEU CB C 21 42.892 42.892 42.690 0.202 18728 5171 1 6 . 1 1 21 21 LEU H H 21 7.472 7.472 7.834 -0.362 18728 5172 1 6 . 1 1 22 22 SER N N 22 114.737 114.737 114.116 0.621 18728 5173 1 6 . 1 1 22 22 SER HA H 22 4.125 4.125 4.523 -0.398 18728 5174 1 6 . 1 1 22 22 SER C C 22 177.842 177.842 175.461 2.381 18728 5175 1 6 . 1 1 22 22 SER CA C 22 57.635 57.635 57.040 0.595 18728 5176 1 6 . 1 1 22 22 SER CB C 22 63.106 63.106 64.838 -1.732 18728 5177 1 6 . 1 1 22 22 SER H H 22 9.136 9.136 8.144 0.992 18728 5178 1 6 . 1 1 23 23 PHE N N 23 128.194 128.194 118.584 9.610 18728 5179 1 6 . 1 1 23 23 PHE HA H 23 4.307 4.307 4.720 -0.413 18728 5180 1 6 . 1 1 23 23 PHE C C 23 175.626 175.626 176.761 -1.135 18728 5181 1 6 . 1 1 23 23 PHE CA C 23 60.205 60.205 60.161 0.044 18728 5182 1 6 . 1 1 23 23 PHE CB C 23 37.570 37.570 39.097 -1.527 18728 5183 1 6 . 1 1 23 23 PHE H H 23 9.034 9.034 8.974 0.060 18728 5184 1 6 . 1 1 24 24 GLU N N 24 116.093 116.093 115.193 0.900 18728 5185 1 6 . 1 1 24 24 GLU HA H 24 4.255 4.255 4.602 -0.347 18728 5186 1 6 . 1 1 24 24 GLU C C 24 177.429 177.429 175.484 1.945 18728 5187 1 6 . 1 1 24 24 GLU CA C 24 56.522 56.522 55.395 1.127 18728 5188 1 6 . 1 1 24 24 GLU CB C 24 29.980 29.980 30.358 -0.378 18728 5189 1 6 . 1 1 24 24 GLU H H 24 8.295 8.295 8.479 -0.184 18728 5190 1 6 . 1 1 25 25 THR N N 25 118.836 118.836 117.574 1.262 18728 5191 1 6 . 1 1 25 25 THR HA H 25 4.091 4.091 4.199 -0.108 18728 5192 1 6 . 1 1 25 25 THR C C 25 174.238 174.238 174.604 -0.366 18728 5193 1 6 . 1 1 25 25 THR CA C 25 64.862 64.862 64.645 0.217 18728 5194 1 6 . 1 1 25 25 THR CB C 25 68.584 68.584 69.219 -0.635 18728 5195 1 6 . 1 1 25 25 THR H H 25 7.280 7.280 7.426 -0.146 18728 5196 1 6 . 1 1 26 26 THR N N 26 119.434 119.434 118.131 1.303 18728 5197 1 6 . 1 1 26 26 THR HA H 26 4.484 4.484 4.613 -0.129 18728 5198 1 6 . 1 1 26 26 THR C C 26 174.563 174.563 175.309 -0.746 18728 5199 1 6 . 1 1 26 26 THR CA C 26 59.361 59.361 59.000 0.361 18728 5200 1 6 . 1 1 26 26 THR CB C 26 72.727 72.727 72.003 0.724 18728 5201 1 6 . 1 1 26 26 THR H H 26 8.447 8.447 8.253 0.194 18728 5202 1 6 . 1 1 27 27 ASP N N 27 120.342 120.342 121.304 -0.962 18728 5203 1 6 . 1 1 27 27 ASP HA H 27 3.920 3.920 4.307 -0.387 18728 5204 1 6 . 1 1 27 27 ASP C C 27 178.347 178.347 177.610 0.737 18728 5205 1 6 . 1 1 27 27 ASP CA C 27 58.148 58.148 57.008 1.140 18728 5206 1 6 . 1 1 27 27 ASP CB C 27 39.954 39.954 40.366 -0.412 18728 5207 1 6 . 1 1 27 27 ASP H H 27 8.794 8.794 8.887 -0.093 18728 5208 1 6 . 1 1 28 28 GLU N N 28 116.494 116.494 119.050 -2.556 18728 5209 1 6 . 1 1 28 28 GLU HA H 28 3.993 3.993 4.197 -0.204 18728 5210 1 6 . 1 1 28 28 GLU C C 28 178.987 178.987 178.757 0.230 18728 5211 1 6 . 1 1 28 28 GLU CA C 28 60.281 60.281 59.047 1.234 18728 5212 1 6 . 1 1 28 28 GLU CB C 28 29.193 29.193 29.512 -0.319 18728 5213 1 6 . 1 1 28 28 GLU H H 28 8.444 8.444 8.758 -0.314 18728 5214 1 6 . 1 1 29 29 SER N N 29 120.532 120.532 116.684 3.848 18728 5215 1 6 . 1 1 29 29 SER HA H 29 4.333 4.333 4.327 0.006 18728 5216 1 6 . 1 1 29 29 SER C C 29 178.125 178.125 176.718 1.407 18728 5217 1 6 . 1 1 29 29 SER CA C 29 61.720 61.720 61.131 0.589 18728 5218 1 6 . 1 1 29 29 SER H H 29 8.384 8.384 7.646 0.738 18728 5219 1 6 . 1 1 30 30 LEU N N 30 126.754 126.754 124.312 2.442 18728 5220 1 6 . 1 1 30 30 LEU HA H 30 4.080 4.080 4.195 -0.115 18728 5221 1 6 . 1 1 30 30 LEU C C 30 178.341 178.341 177.993 0.348 18728 5222 1 6 . 1 1 30 30 LEU CA C 30 58.073 58.073 57.664 0.409 18728 5223 1 6 . 1 1 30 30 LEU CB C 30 42.524 42.524 41.709 0.814 18728 5224 1 6 . 1 1 30 30 LEU H H 30 8.487 8.487 8.149 0.338 18728 5225 1 6 . 1 1 31 31 ARG N N 31 121.192 121.192 119.245 1.947 18728 5226 1 6 . 1 1 31 31 ARG HA H 31 3.863 3.863 3.867 -0.004 18728 5227 1 6 . 1 1 31 31 ARG C C 31 177.765 177.765 178.347 -0.582 18728 5228 1 6 . 1 1 31 31 ARG CA C 31 59.706 59.706 60.013 -0.307 18728 5229 1 6 . 1 1 31 31 ARG CB C 31 30.648 30.648 29.966 0.682 18728 5230 1 6 . 1 1 31 31 ARG H H 31 7.980 7.980 7.924 0.056 18728 5231 1 6 . 1 1 32 32 SER N N 32 112.868 112.868 113.661 -0.793 18728 5232 1 6 . 1 1 32 32 SER HA H 32 4.104 4.104 4.161 -0.057 18728 5233 1 6 . 1 1 32 32 SER C C 32 176.416 176.416 176.581 -0.165 18728 5234 1 6 . 1 1 32 32 SER CA C 32 61.437 61.437 61.670 -0.233 18728 5235 1 6 . 1 1 32 32 SER CB C 32 62.933 62.933 63.050 -0.117 18728 5236 1 6 . 1 1 32 32 SER H H 32 8.295 8.295 8.136 0.159 18728 5237 1 6 . 1 1 33 33 HIS N N 33 115.910 115.910 121.121 -5.211 18728 5238 1 6 . 1 1 33 33 HIS HA H 33 4.346 4.346 4.337 0.009 18728 5239 1 6 . 1 1 33 33 HIS C C 33 177.510 177.510 177.972 -0.462 18728 5240 1 6 . 1 1 33 33 HIS CA C 33 60.373 60.373 59.839 0.534 18728 5241 1 6 . 1 1 33 33 HIS CB C 33 30.776 30.776 30.076 0.700 18728 5242 1 6 . 1 1 33 33 HIS H H 33 7.406 7.406 7.801 -0.395 18728 5243 1 6 . 1 1 34 34 PHE N N 34 113.562 113.562 118.711 -5.149 18728 5244 1 6 . 1 1 34 34 PHE HA H 34 4.526 4.526 4.918 -0.392 18728 5245 1 6 . 1 1 34 34 PHE C C 34 179.061 179.061 178.423 0.638 18728 5246 1 6 . 1 1 34 34 PHE CA C 34 64.104 64.104 61.451 2.653 18728 5247 1 6 . 1 1 34 34 PHE CB C 34 38.379 38.379 38.961 -0.582 18728 5248 1 6 . 1 1 34 34 PHE H H 34 8.227 8.227 8.285 -0.058 18728 5249 1 6 . 1 1 35 35 GLU N N 35 124.490 124.490 119.866 4.624 18728 5250 1 6 . 1 1 35 35 GLU HA H 35 4.962 4.962 4.415 0.547 18728 5251 1 6 . 1 1 35 35 GLU C C 35 176.476 176.476 177.802 -1.326 18728 5252 1 6 . 1 1 35 35 GLU CA C 35 57.950 57.950 58.840 -0.890 18728 5253 1 6 . 1 1 35 35 GLU CB C 35 28.690 28.690 28.811 -0.121 18728 5254 1 6 . 1 1 35 35 GLU H H 35 9.219 9.219 8.712 0.507 18728 5255 1 6 . 1 1 36 36 GLN N N 36 116.596 116.596 116.859 -0.263 18728 5256 1 6 . 1 1 36 36 GLN HA H 36 3.706 3.706 3.980 -0.274 18728 5257 1 6 . 1 1 36 36 GLN C C 36 176.486 176.486 177.526 -1.040 18728 5258 1 6 . 1 1 36 36 GLN CA C 36 58.206 58.206 57.575 0.631 18728 5259 1 6 . 1 1 36 36 GLN CB C 36 27.731 27.731 28.408 -0.677 18728 5260 1 6 . 1 1 36 36 GLN H H 36 7.011 7.011 7.472 -0.461 18728 5261 1 6 . 1 1 37 37 TRP N N 37 114.690 114.690 117.313 -2.623 18728 5262 1 6 . 1 1 37 37 TRP HA H 37 4.481 4.481 4.886 -0.405 18728 5263 1 6 . 1 1 37 37 TRP C C 37 173.662 173.662 176.635 -2.973 18728 5264 1 6 . 1 1 37 37 TRP CA C 37 61.557 61.557 58.427 3.130 18728 5265 1 6 . 1 1 37 37 TRP CB C 37 29.074 29.074 31.385 -2.311 18728 5266 1 6 . 1 1 37 37 TRP H H 37 7.017 7.017 7.809 -0.792 18728 5267 1 6 . 1 1 38 38 GLY N N 38 105.060 105.060 104.216 0.844 18728 5268 1 6 . 1 1 38 38 GLY C C 38 171.596 171.596 172.308 -0.712 18728 5269 1 6 . 1 1 38 38 GLY CA C 38 45.545 45.545 45.235 0.310 18728 5270 1 6 . 1 1 38 38 GLY H H 38 7.294 7.294 7.906 -0.612 18728 5271 1 6 . 1 1 39 39 THR N N 39 117.179 117.179 118.188 -1.009 18728 5272 1 6 . 1 1 39 39 THR HA H 39 4.231 4.231 4.357 -0.126 18728 5273 1 6 . 1 1 39 39 THR C C 39 173.760 173.760 174.542 -0.782 18728 5274 1 6 . 1 1 39 39 THR CA C 39 62.904 62.904 64.466 -1.562 18728 5275 1 6 . 1 1 39 39 THR CB C 39 69.813 69.813 68.816 0.997 18728 5276 1 6 . 1 1 39 39 THR H H 39 8.770 8.770 8.566 0.204 18728 5277 1 6 . 1 1 40 40 LEU N N 40 126.702 126.702 128.610 -1.908 18728 5278 1 6 . 1 1 40 40 LEU HA H 40 4.943 4.943 4.449 0.494 18728 5279 1 6 . 1 1 40 40 LEU C C 40 178.358 178.358 177.742 0.616 18728 5280 1 6 . 1 1 40 40 LEU CA C 40 52.969 52.969 54.512 -1.543 18728 5281 1 6 . 1 1 40 40 LEU CB C 40 41.893 41.893 42.457 -0.564 18728 5282 1 6 . 1 1 40 40 LEU H H 40 8.831 8.831 9.386 -0.555 18728 5283 1 6 . 1 1 41 41 THR N N 41 117.175 117.175 114.299 2.876 18728 5284 1 6 . 1 1 41 41 THR HA H 41 4.197 4.197 4.427 -0.230 18728 5285 1 6 . 1 1 41 41 THR C C 41 175.050 175.050 174.341 0.709 18728 5286 1 6 . 1 1 41 41 THR CA C 41 62.668 62.668 62.194 0.474 18728 5287 1 6 . 1 1 41 41 THR CB C 41 67.618 67.618 69.745 -2.127 18728 5288 1 6 . 1 1 41 41 THR H H 41 8.926 8.926 8.908 0.018 18728 5289 1 6 . 1 1 42 42 ASP N N 42 118.764 118.764 120.768 -2.004 18728 5290 1 6 . 1 1 42 42 ASP HA H 42 4.620 4.620 4.829 -0.209 18728 5291 1 6 . 1 1 42 42 ASP C C 42 174.637 174.637 173.821 0.816 18728 5292 1 6 . 1 1 42 42 ASP CA C 42 54.235 54.235 54.167 0.068 18728 5293 1 6 . 1 1 42 42 ASP CB C 42 44.253 44.253 44.459 -0.206 18728 5294 1 6 . 1 1 42 42 ASP H H 42 7.513 7.513 7.979 -0.466 18728 5295 1 6 . 1 1 43 43 CYS N N 43 123.632 123.632 123.110 0.522 18728 5296 1 6 . 1 1 43 43 CYS HA H 43 4.842 4.842 5.371 -0.529 18728 5297 1 6 . 1 1 43 43 CYS C C 43 171.885 171.885 172.462 -0.577 18728 5298 1 6 . 1 1 43 43 CYS CA C 43 59.376 59.376 57.991 1.385 18728 5299 1 6 . 1 1 43 43 CYS CB C 43 26.377 26.377 29.855 -3.478 18728 5300 1 6 . 1 1 43 43 CYS H H 43 8.436 8.436 8.649 -0.213 18728 5301 1 6 . 1 1 44 44 VAL N N 44 126.787 126.787 126.637 0.150 18728 5302 1 6 . 1 1 44 44 VAL HA H 44 4.576 4.576 4.542 0.034 18728 5303 1 6 . 1 1 44 44 VAL C C 44 173.371 173.371 173.434 -0.063 18728 5304 1 6 . 1 1 44 44 VAL CA C 44 60.151 60.151 60.742 -0.591 18728 5305 1 6 . 1 1 44 44 VAL CB C 44 36.424 36.424 35.505 0.919 18728 5306 1 6 . 1 1 44 44 VAL H H 44 8.737 8.737 8.968 -0.231 18728 5307 1 6 . 1 1 45 45 VAL N N 45 125.522 125.522 127.234 -1.712 18728 5308 1 6 . 1 1 45 45 VAL HA H 45 3.711 3.711 4.069 -0.358 18728 5309 1 6 . 1 1 45 45 VAL C C 45 176.674 176.674 174.708 1.966 18728 5310 1 6 . 1 1 45 45 VAL CA C 45 62.509 62.509 61.590 0.919 18728 5311 1 6 . 1 1 45 45 VAL CB C 45 33.175 33.175 33.097 0.077 18728 5312 1 6 . 1 1 45 45 VAL H H 45 8.269 8.269 8.477 -0.208 18728 5313 1 6 . 1 1 46 46 MET N N 46 126.833 126.833 128.278 -1.445 18728 5314 1 6 . 1 1 46 46 MET HA H 46 4.441 4.441 4.349 0.092 18728 5315 1 6 . 1 1 46 46 MET C C 46 175.413 175.413 174.828 0.585 18728 5316 1 6 . 1 1 46 46 MET CA C 46 54.852 54.852 54.448 0.404 18728 5317 1 6 . 1 1 46 46 MET CB C 46 30.454 30.454 29.698 0.756 18728 5318 1 6 . 1 1 46 46 MET H H 46 8.445 8.445 8.240 0.205 18728 5319 1 6 . 1 1 47 47 ARG N N 47 120.697 120.697 123.526 -2.829 18728 5320 1 6 . 1 1 47 47 ARG HA H 47 4.838 4.838 4.803 0.035 18728 5321 1 6 . 1 1 47 47 ARG CA C 47 54.308 54.308 54.607 -0.299 18728 5322 1 6 . 1 1 47 47 ARG CB C 47 34.048 34.048 32.351 1.697 18728 5323 1 6 . 1 1 47 47 ARG H H 47 8.308 8.308 7.921 0.387 18728 5324 1 6 . 1 1 48 48 ASP N N 48 125.146 125.146 121.758 3.388 18728 5325 1 6 . 1 1 48 48 ASP HA H 48 4.686 4.686 4.975 -0.289 18728 5326 1 6 . 1 1 48 48 ASP C C 48 176.046 176.046 176.240 -0.194 18728 5327 1 6 . 1 1 48 48 ASP CA C 48 52.106 52.106 51.609 0.497 18728 5328 1 6 . 1 1 48 48 ASP CB C 48 42.878 42.878 42.038 0.840 18728 5329 1 6 . 1 1 48 48 ASP H H 48 8.577 8.577 8.450 0.127 18728 5330 1 6 . 1 1 49 49 PRO HA H 49 4.310 4.310 4.228 0.082 18728 5331 1 6 . 1 1 49 49 PRO C C 49 177.166 177.166 177.961 -0.795 18728 5332 1 6 . 1 1 49 49 PRO CA C 49 64.584 64.584 64.993 -0.409 18728 5333 1 6 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.127 0.009 18728 5334 1 6 . 1 1 50 50 ASN N N 50 115.474 115.474 117.016 -1.542 18728 5335 1 6 . 1 1 50 50 ASN HA H 50 4.723 4.723 4.667 0.056 18728 5336 1 6 . 1 1 50 50 ASN C C 50 176.642 176.642 177.273 -0.631 18728 5337 1 6 . 1 1 50 50 ASN CA C 50 55.444 55.444 55.859 -0.415 18728 5338 1 6 . 1 1 50 50 ASN CB C 50 39.455 39.455 39.354 0.101 18728 5339 1 6 . 1 1 50 50 ASN H H 50 8.560 8.560 7.997 0.563 18728 5340 1 6 . 1 1 51 51 THR N N 51 108.788 108.788 113.994 -5.206 18728 5341 1 6 . 1 1 51 51 THR HA H 51 4.264 4.264 4.399 -0.135 18728 5342 1 6 . 1 1 51 51 THR C C 51 176.018 176.018 174.247 1.771 18728 5343 1 6 . 1 1 51 51 THR CA C 51 62.063 62.063 63.335 -1.272 18728 5344 1 6 . 1 1 51 51 THR CB C 51 70.768 70.768 69.561 1.207 18728 5345 1 6 . 1 1 51 51 THR H H 51 8.277 8.277 8.684 -0.407 18728 5346 1 6 . 1 1 52 52 LYS N N 52 114.615 114.615 115.817 -1.202 18728 5347 1 6 . 1 1 52 52 LYS HA H 52 3.917 3.917 4.001 -0.084 18728 5348 1 6 . 1 1 52 52 LYS C C 52 175.376 175.376 175.070 0.306 18728 5349 1 6 . 1 1 52 52 LYS CA C 52 57.902 57.902 57.168 0.734 18728 5350 1 6 . 1 1 52 52 LYS CB C 52 29.293 29.293 29.681 -0.388 18728 5351 1 6 . 1 1 52 52 LYS H H 52 8.091 8.091 8.252 -0.161 18728 5352 1 6 . 1 1 53 53 ARG N N 53 120.395 120.395 116.711 3.684 18728 5353 1 6 . 1 1 53 53 ARG HA H 53 4.169 4.169 4.775 -0.606 18728 5354 1 6 . 1 1 53 53 ARG C C 53 176.619 176.619 176.099 0.520 18728 5355 1 6 . 1 1 53 53 ARG CA C 53 56.233 56.233 53.302 2.931 18728 5356 1 6 . 1 1 53 53 ARG CB C 53 31.045 31.045 32.634 -1.589 18728 5357 1 6 . 1 1 53 53 ARG H H 53 7.847 7.847 7.552 0.295 18728 5358 1 6 . 1 1 54 54 SER N N 54 116.987 116.987 116.051 0.936 18728 5359 1 6 . 1 1 54 54 SER HA H 54 4.186 4.186 4.324 -0.138 18728 5360 1 6 . 1 1 54 54 SER C C 54 175.755 175.755 175.526 0.229 18728 5361 1 6 . 1 1 54 54 SER CA C 54 58.559 58.559 58.510 0.049 18728 5362 1 6 . 1 1 54 54 SER CB C 54 63.922 63.922 63.722 0.200 18728 5363 1 6 . 1 1 54 54 SER H H 54 8.810 8.810 8.325 0.485 18728 5364 1 6 . 1 1 55 55 ARG N N 55 123.427 123.427 128.466 -5.039 18728 5365 1 6 . 1 1 55 55 ARG HA H 55 4.403 4.403 4.213 0.190 18728 5366 1 6 . 1 1 55 55 ARG C C 55 177.962 177.962 176.676 1.286 18728 5367 1 6 . 1 1 55 55 ARG CA C 55 56.096 56.096 56.012 0.084 18728 5368 1 6 . 1 1 55 55 ARG CB C 55 31.294 31.294 30.078 1.216 18728 5369 1 6 . 1 1 55 55 ARG H H 55 8.976 8.976 8.748 0.228 18728 5370 1 6 . 1 1 56 56 GLY N N 56 107.308 107.308 106.683 0.625 18728 5371 1 6 . 1 1 56 56 GLY C C 56 171.856 171.856 173.319 -1.463 18728 5372 1 6 . 1 1 56 56 GLY CA C 56 45.669 45.669 45.172 0.497 18728 5373 1 6 . 1 1 56 56 GLY H H 56 9.375 9.375 7.797 1.578 18728 5374 1 6 . 1 1 57 57 PHE N N 57 112.537 112.537 115.105 -2.568 18728 5375 1 6 . 1 1 57 57 PHE HA H 57 5.201 5.201 5.439 -0.238 18728 5376 1 6 . 1 1 57 57 PHE C C 57 172.646 172.646 172.860 -0.214 18728 5377 1 6 . 1 1 57 57 PHE CA C 57 54.918 54.918 54.742 0.176 18728 5378 1 6 . 1 1 57 57 PHE CB C 57 41.743 41.743 41.060 0.683 18728 5379 1 6 . 1 1 57 57 PHE H H 57 7.044 7.044 7.162 -0.118 18728 5380 1 6 . 1 1 58 58 GLY N N 58 106.816 106.816 106.593 0.223 18728 5381 1 6 . 1 1 58 58 GLY C C 58 169.931 169.931 171.155 -1.224 18728 5382 1 6 . 1 1 58 58 GLY CA C 58 45.304 45.304 44.455 0.849 18728 5383 1 6 . 1 1 58 58 GLY H H 58 8.345 8.345 8.216 0.129 18728 5384 1 6 . 1 1 59 59 PHE N N 59 115.179 115.179 115.381 -0.202 18728 5385 1 6 . 1 1 59 59 PHE HA H 59 5.645 5.645 5.666 -0.021 18728 5386 1 6 . 1 1 59 59 PHE C C 59 174.929 174.929 174.270 0.659 18728 5387 1 6 . 1 1 59 59 PHE CA C 59 56.541 56.541 56.108 0.433 18728 5388 1 6 . 1 1 59 59 PHE CB C 59 43.984 43.984 43.721 0.263 18728 5389 1 6 . 1 1 59 59 PHE H H 59 8.903 8.903 8.723 0.180 18728 5390 1 6 . 1 1 60 60 VAL N N 60 115.310 115.310 116.897 -1.587 18728 5391 1 6 . 1 1 60 60 VAL HA H 60 4.540 4.540 4.854 -0.314 18728 5392 1 6 . 1 1 60 60 VAL C C 60 173.246 173.246 175.116 -1.870 18728 5393 1 6 . 1 1 60 60 VAL CA C 60 59.421 59.421 60.125 -0.704 18728 5394 1 6 . 1 1 60 60 VAL CB C 60 34.678 34.678 33.480 1.198 18728 5395 1 6 . 1 1 60 60 VAL H H 60 8.569 8.569 8.970 -0.401 18728 5396 1 6 . 1 1 61 61 THR N N 61 120.158 120.158 124.126 -3.968 18728 5397 1 6 . 1 1 61 61 THR HA H 61 5.068 5.068 4.882 0.186 18728 5398 1 6 . 1 1 61 61 THR C C 61 173.985 173.985 174.213 -0.228 18728 5399 1 6 . 1 1 61 61 THR CA C 61 61.033 61.033 61.963 -0.930 18728 5400 1 6 . 1 1 61 61 THR CB C 61 70.114 70.114 69.492 0.622 18728 5401 1 6 . 1 1 61 61 THR H H 61 8.180 8.180 8.876 -0.696 18728 5402 1 6 . 1 1 62 62 TYR N N 62 125.280 125.280 126.575 -1.295 18728 5403 1 6 . 1 1 62 62 TYR HA H 62 5.357 5.357 4.619 0.738 18728 5404 1 6 . 1 1 62 62 TYR C C 62 176.696 176.696 176.878 -0.182 18728 5405 1 6 . 1 1 62 62 TYR CA C 62 58.297 58.297 58.989 -0.692 18728 5406 1 6 . 1 1 62 62 TYR CB C 62 42.217 42.217 40.219 1.998 18728 5407 1 6 . 1 1 62 62 TYR H H 62 8.407 8.407 9.258 -0.851 18728 5408 1 6 . 1 1 63 63 ALA N N 63 121.648 121.648 122.437 -0.789 18728 5409 1 6 . 1 1 63 63 ALA HA H 63 4.052 4.052 4.407 -0.355 18728 5410 1 6 . 1 1 63 63 ALA C C 63 178.252 178.252 176.892 1.360 18728 5411 1 6 . 1 1 63 63 ALA CA C 63 55.269 55.269 54.478 0.791 18728 5412 1 6 . 1 1 63 63 ALA CB C 63 19.068 19.068 19.663 -0.595 18728 5413 1 6 . 1 1 63 63 ALA H H 63 8.749 8.749 8.828 -0.079 18728 5414 1 6 . 1 1 64 64 THR N N 64 105.238 105.238 112.421 -7.183 18728 5415 1 6 . 1 1 64 64 THR HA H 64 4.902 4.902 4.919 -0.017 18728 5416 1 6 . 1 1 64 64 THR C C 64 174.667 174.667 174.645 0.022 18728 5417 1 6 . 1 1 64 64 THR CA C 64 59.184 59.184 60.298 -1.114 18728 5418 1 6 . 1 1 64 64 THR CB C 64 73.193 73.193 72.288 0.905 18728 5419 1 6 . 1 1 64 64 THR H H 64 7.992 7.992 7.503 0.489 18728 5420 1 6 . 1 1 65 65 VAL N N 65 120.939 120.939 123.260 -2.321 18728 5421 1 6 . 1 1 65 65 VAL HA H 65 3.670 3.670 3.782 -0.112 18728 5422 1 6 . 1 1 65 65 VAL C C 65 177.446 177.446 176.769 0.677 18728 5423 1 6 . 1 1 65 65 VAL CA C 65 65.535 65.535 64.769 0.766 18728 5424 1 6 . 1 1 65 65 VAL CB C 65 31.538 31.538 32.335 -0.797 18728 5425 1 6 . 1 1 65 65 VAL H H 65 8.968 8.968 9.360 -0.392 18728 5426 1 6 . 1 1 66 66 GLU N N 66 120.818 120.818 119.768 1.050 18728 5427 1 6 . 1 1 66 66 GLU HA H 66 4.045 4.045 3.936 0.109 18728 5428 1 6 . 1 1 66 66 GLU C C 66 180.056 180.056 178.767 1.289 18728 5429 1 6 . 1 1 66 66 GLU CA C 66 60.430 60.430 60.225 0.205 18728 5430 1 6 . 1 1 66 66 GLU CB C 66 28.909 28.909 28.832 0.077 18728 5431 1 6 . 1 1 66 66 GLU H H 66 8.686 8.686 8.720 -0.034 18728 5432 1 6 . 1 1 67 67 GLU N N 67 120.729 120.729 117.846 2.883 18728 5433 1 6 . 1 1 67 67 GLU HA H 67 3.853 3.853 4.006 -0.153 18728 5434 1 6 . 1 1 67 67 GLU C C 67 177.040 177.040 178.278 -1.238 18728 5435 1 6 . 1 1 67 67 GLU CA C 67 59.391 59.391 59.324 0.067 18728 5436 1 6 . 1 1 67 67 GLU CB C 67 29.590 29.590 28.845 0.746 18728 5437 1 6 . 1 1 67 67 GLU H H 67 7.487 7.487 8.397 -0.910 18728 5438 1 6 . 1 1 68 68 VAL N N 68 118.408 118.408 119.699 -1.291 18728 5439 1 6 . 1 1 68 68 VAL HA H 68 3.165 3.165 3.100 0.065 18728 5440 1 6 . 1 1 68 68 VAL C C 68 178.293 178.293 177.716 0.577 18728 5441 1 6 . 1 1 68 68 VAL CA C 68 66.391 66.391 66.163 0.228 18728 5442 1 6 . 1 1 68 68 VAL CB C 68 31.092 31.092 31.236 -0.144 18728 5443 1 6 . 1 1 68 68 VAL H H 68 6.882 6.882 7.152 -0.270 18728 5444 1 6 . 1 1 69 69 ASP N N 69 119.356 119.356 120.085 -0.729 18728 5445 1 6 . 1 1 69 69 ASP HA H 69 4.128 4.128 4.306 -0.178 18728 5446 1 6 . 1 1 69 69 ASP C C 69 178.765 178.765 178.414 0.351 18728 5447 1 6 . 1 1 69 69 ASP CA C 69 57.394 57.394 57.981 -0.587 18728 5448 1 6 . 1 1 69 69 ASP CB C 69 39.879 39.879 40.456 -0.577 18728 5449 1 6 . 1 1 69 69 ASP H H 69 8.109 8.109 7.679 0.430 18728 5450 1 6 . 1 1 70 70 ALA N N 70 123.031 123.031 121.304 1.727 18728 5451 1 6 . 1 1 70 70 ALA HA H 70 4.070 4.070 4.034 0.036 18728 5452 1 6 . 1 1 70 70 ALA C C 70 180.518 180.518 179.339 1.179 18728 5453 1 6 . 1 1 70 70 ALA CA C 70 55.209 55.209 55.302 -0.093 18728 5454 1 6 . 1 1 70 70 ALA CB C 70 18.104 18.104 18.308 -0.204 18728 5455 1 6 . 1 1 70 70 ALA H H 70 7.736 7.736 8.278 -0.542 18728 5456 1 6 . 1 1 71 71 ALA N N 71 121.446 121.446 119.748 1.698 18728 5457 1 6 . 1 1 71 71 ALA HA H 71 3.034 3.034 3.707 -0.673 18728 5458 1 6 . 1 1 71 71 ALA C C 71 182.248 182.248 179.688 2.560 18728 5459 1 6 . 1 1 71 71 ALA CA C 71 55.251 55.251 54.423 0.828 18728 5460 1 6 . 1 1 71 71 ALA CB C 71 17.976 17.976 18.422 -0.447 18728 5461 1 6 . 1 1 71 71 ALA H H 71 8.101 8.101 7.190 0.911 18728 5462 1 6 . 1 1 72 72 MET N N 72 118.027 118.027 118.211 -0.184 18728 5463 1 6 . 1 1 72 72 MET HA H 72 4.430 4.430 4.156 0.274 18728 5464 1 6 . 1 1 72 72 MET C C 72 179.409 179.409 178.990 0.419 18728 5465 1 6 . 1 1 72 72 MET CA C 72 56.379 56.379 58.562 -2.183 18728 5466 1 6 . 1 1 72 72 MET CB C 72 30.498 30.498 32.005 -1.507 18728 5467 1 6 . 1 1 72 72 MET H H 72 8.681 8.681 8.327 0.354 18728 5468 1 6 . 1 1 73 73 ASN N N 73 119.415 119.415 118.257 1.158 18728 5469 1 6 . 1 1 73 73 ASN HA H 73 4.627 4.627 4.559 0.068 18728 5470 1 6 . 1 1 73 73 ASN C C 73 175.014 175.014 176.803 -1.789 18728 5471 1 6 . 1 1 73 73 ASN CA C 73 54.323 54.323 55.513 -1.190 18728 5472 1 6 . 1 1 73 73 ASN CB C 73 38.468 38.468 38.492 -0.024 18728 5473 1 6 . 1 1 73 73 ASN H H 73 8.096 8.096 8.603 -0.507 18728 5474 1 6 . 1 1 74 74 ALA N N 74 122.253 122.253 121.373 0.880 18728 5475 1 6 . 1 1 74 74 ALA HA H 74 4.299 4.299 4.142 0.157 18728 5476 1 6 . 1 1 74 74 ALA C C 74 175.305 175.305 177.428 -2.123 18728 5477 1 6 . 1 1 74 74 ALA CA C 74 51.273 51.273 52.234 -0.961 18728 5478 1 6 . 1 1 74 74 ALA CB C 74 18.922 18.922 18.547 0.375 18728 5479 1 6 . 1 1 74 74 ALA H H 74 6.966 6.966 7.345 -0.379 18728 5480 1 6 . 1 1 75 75 ARG N N 75 116.833 116.833 119.877 -3.044 18728 5481 1 6 . 1 1 75 75 ARG HA H 75 3.608 3.608 4.298 -0.690 18728 5482 1 6 . 1 1 75 75 ARG CA C 75 55.086 55.086 55.080 0.006 18728 5483 1 6 . 1 1 75 75 ARG CB C 75 30.199 30.199 29.854 0.345 18728 5484 1 6 . 1 1 75 75 ARG H H 75 6.749 6.749 7.299 -0.550 18728 5485 1 6 . 1 1 76 76 PRO HA H 76 4.434 4.434 4.580 -0.146 18728 5486 1 6 . 1 1 76 76 PRO C C 76 175.590 175.590 175.635 -0.045 18728 5487 1 6 . 1 1 76 76 PRO CA C 76 61.614 61.614 62.841 -1.227 18728 5488 1 6 . 1 1 76 76 PRO CB C 76 34.982 34.982 33.460 1.522 18728 5489 1 6 . 1 1 77 77 HIS N N 77 122.039 122.039 119.128 2.911 18728 5490 1 6 . 1 1 77 77 HIS HA H 77 4.559 4.559 4.931 -0.372 18728 5491 1 6 . 1 1 77 77 HIS C C 77 173.137 173.137 174.408 -1.271 18728 5492 1 6 . 1 1 77 77 HIS CA C 77 56.231 56.231 55.599 0.632 18728 5493 1 6 . 1 1 77 77 HIS CB C 77 32.909 32.909 33.659 -0.750 18728 5494 1 6 . 1 1 77 77 HIS H H 77 9.384 9.384 8.324 1.060 18728 5495 1 6 . 1 1 78 78 LYS N N 78 125.607 125.607 123.064 2.543 18728 5496 1 6 . 1 1 78 78 LYS HA H 78 4.939 4.939 5.170 -0.231 18728 5497 1 6 . 1 1 78 78 LYS C C 78 174.858 174.858 174.664 0.194 18728 5498 1 6 . 1 1 78 78 LYS CA C 78 54.755 54.755 55.491 -0.736 18728 5499 1 6 . 1 1 78 78 LYS CB C 78 33.475 33.475 34.582 -1.107 18728 5500 1 6 . 1 1 78 78 LYS H H 78 8.485 8.485 8.577 -0.092 18728 5501 1 6 . 1 1 79 79 VAL N N 79 124.596 124.596 125.404 -0.808 18728 5502 1 6 . 1 1 79 79 VAL HA H 79 3.955 3.955 4.023 -0.068 18728 5503 1 6 . 1 1 79 79 VAL C C 79 176.295 176.295 175.487 0.808 18728 5504 1 6 . 1 1 79 79 VAL CA C 79 60.737 60.737 61.299 -0.562 18728 5505 1 6 . 1 1 79 79 VAL CB C 79 33.249 33.249 33.382 -0.133 18728 5506 1 6 . 1 1 79 79 VAL H H 79 8.581 8.581 8.235 0.346 18728 5507 1 6 . 1 1 80 80 ASP N N 80 128.668 128.668 125.995 2.673 18728 5508 1 6 . 1 1 80 80 ASP HA H 80 4.228 4.228 4.318 -0.090 18728 5509 1 6 . 1 1 80 80 ASP C C 80 175.744 175.744 176.190 -0.446 18728 5510 1 6 . 1 1 80 80 ASP CA C 80 55.882 55.882 54.961 0.921 18728 5511 1 6 . 1 1 80 80 ASP CB C 80 39.692 39.692 40.455 -0.763 18728 5512 1 6 . 1 1 80 80 ASP H H 80 9.553 9.553 9.278 0.275 18728 5513 1 6 . 1 1 81 81 GLY N N 81 101.527 101.527 103.104 -1.577 18728 5514 1 6 . 1 1 81 81 GLY C C 81 173.560 173.560 173.641 -0.081 18728 5515 1 6 . 1 1 81 81 GLY CA C 81 45.445 45.445 45.492 -0.047 18728 5516 1 6 . 1 1 81 81 GLY H H 81 8.488 8.488 8.605 -0.117 18728 5517 1 6 . 1 1 82 82 ARG N N 82 120.493 120.493 119.437 1.056 18728 5518 1 6 . 1 1 82 82 ARG HA H 82 4.640 4.640 4.688 -0.048 18728 5519 1 6 . 1 1 82 82 ARG C C 82 174.512 174.512 174.513 -0.001 18728 5520 1 6 . 1 1 82 82 ARG CA C 82 53.161 53.161 54.377 -1.216 18728 5521 1 6 . 1 1 82 82 ARG CB C 82 32.507 32.507 33.348 -0.841 18728 5522 1 6 . 1 1 82 82 ARG H H 82 7.555 7.555 7.469 0.086 18728 5523 1 6 . 1 1 83 83 VAL N N 83 124.855 124.855 126.519 -1.664 18728 5524 1 6 . 1 1 83 83 VAL HA H 83 4.501 4.501 4.382 0.119 18728 5525 1 6 . 1 1 83 83 VAL C C 83 176.701 176.701 175.388 1.313 18728 5526 1 6 . 1 1 83 83 VAL CA C 83 63.290 63.290 63.159 0.131 18728 5527 1 6 . 1 1 83 83 VAL CB C 83 30.867 30.867 31.772 -0.905 18728 5528 1 6 . 1 1 83 83 VAL H H 83 8.633 8.633 8.564 0.069 18728 5529 1 6 . 1 1 84 84 VAL N N 84 122.944 122.944 123.522 -0.578 18728 5530 1 6 . 1 1 84 84 VAL HA H 84 4.667 4.667 4.920 -0.253 18728 5531 1 6 . 1 1 84 84 VAL C C 84 174.969 174.969 174.458 0.511 18728 5532 1 6 . 1 1 84 84 VAL CA C 84 59.499 59.499 58.989 0.510 18728 5533 1 6 . 1 1 84 84 VAL CB C 84 32.761 32.761 34.805 -2.044 18728 5534 1 6 . 1 1 84 84 VAL H H 84 8.391 8.391 8.439 -0.048 18728 5535 1 6 . 1 1 85 85 GLU N N 85 120.907 120.907 123.175 -2.268 18728 5536 1 6 . 1 1 85 85 GLU HA H 85 5.087 5.087 4.944 0.143 18728 5537 1 6 . 1 1 85 85 GLU CA C 85 52.949 52.949 52.071 0.878 18728 5538 1 6 . 1 1 85 85 GLU CB C 85 31.367 31.367 31.837 -0.470 18728 5539 1 6 . 1 1 85 85 GLU H H 85 8.681 8.681 9.117 -0.436 18728 5540 1 6 . 1 1 86 86 PRO HA H 86 5.383 5.383 4.569 0.814 18728 5541 1 6 . 1 1 86 86 PRO C C 86 175.908 175.908 176.090 -0.182 18728 5542 1 6 . 1 1 86 86 PRO CA C 86 61.444 61.444 62.756 -1.312 18728 5543 1 6 . 1 1 86 86 PRO CB C 86 32.657 32.657 32.262 0.395 18728 5544 1 6 . 1 1 87 87 LYS N N 87 121.252 121.252 120.983 0.269 18728 5545 1 6 . 1 1 87 87 LYS HA H 87 4.688 4.688 4.969 -0.281 18728 5546 1 6 . 1 1 87 87 LYS C C 87 175.676 175.676 175.812 -0.136 18728 5547 1 6 . 1 1 87 87 LYS CA C 87 55.101 55.101 53.701 1.400 18728 5548 1 6 . 1 1 87 87 LYS CB C 87 36.608 36.608 36.455 0.153 18728 5549 1 6 . 1 1 87 87 LYS H H 87 9.397 9.397 8.577 0.820 18728 5550 1 6 . 1 1 88 88 ARG N N 88 123.272 123.272 121.556 1.716 18728 5551 1 6 . 1 1 88 88 ARG HA H 88 4.375 4.375 4.533 -0.158 18728 5552 1 6 . 1 1 88 88 ARG C C 88 177.011 177.011 176.526 0.485 18728 5553 1 6 . 1 1 88 88 ARG CA C 88 57.209 57.209 55.318 1.891 18728 5554 1 6 . 1 1 88 88 ARG CB C 88 30.452 30.452 30.325 0.127 18728 5555 1 6 . 1 1 88 88 ARG H H 88 8.940 8.940 8.835 0.105 18728 5556 1 6 . 1 1 89 89 ALA N N 89 126.260 126.260 131.363 -5.103 18728 5557 1 6 . 1 1 89 89 ALA HA H 89 4.259 4.259 4.571 -0.312 18728 5558 1 6 . 1 1 89 89 ALA C C 89 177.452 177.452 177.180 0.272 18728 5559 1 6 . 1 1 89 89 ALA CA C 89 53.712 53.712 52.423 1.289 18728 5560 1 6 . 1 1 89 89 ALA CB C 89 18.824 18.824 18.815 0.009 18728 5561 1 6 . 1 1 89 89 ALA H H 89 8.424 8.424 8.231 0.193 18728 5562 1 6 . 1 1 90 90 VAL N N 90 115.835 115.835 125.009 -9.174 18728 5563 1 6 . 1 1 90 90 VAL HA H 90 4.182 4.182 3.816 0.366 18728 5564 1 6 . 1 1 90 90 VAL C C 90 175.397 175.397 176.686 -1.289 18728 5565 1 6 . 1 1 90 90 VAL CA C 90 61.516 61.516 63.209 -1.693 18728 5566 1 6 . 1 1 90 90 VAL CB C 90 33.448 33.448 32.381 1.067 18728 5567 1 6 . 1 1 90 90 VAL H H 90 7.892 7.892 7.732 0.160 18728 5568 1 6 . 1 1 91 91 SER N N 91 119.224 119.224 119.168 0.056 18728 5569 1 6 . 1 1 91 91 SER HA H 91 4.420 4.420 4.236 0.184 18728 5570 1 6 . 1 1 91 91 SER CA C 91 57.888 57.888 59.641 -1.753 18728 5571 1 6 . 1 1 91 91 SER CB C 91 63.788 63.788 63.594 0.194 18728 5572 1 6 . 1 1 91 91 SER H H 91 8.327 8.327 8.598 -0.271 18728 5573 1 6 . 1 1 92 92 ARG HA H 92 4.231 4.231 3.978 0.253 18728 5574 1 6 . 1 1 92 92 ARG C C 92 176.651 176.651 178.064 -1.413 18728 5575 1 6 . 1 1 92 92 ARG CA C 92 56.671 56.671 58.786 -2.115 18728 5576 1 6 . 1 1 92 92 ARG CB C 92 30.776 30.776 29.830 0.946 18728 5577 1 6 . 1 1 92 92 ARG H H 92 8.425 8.425 8.725 -0.300 18728 5578 1 6 . 1 1 93 93 GLU N N 93 121.483 121.483 117.395 4.088 18728 5579 1 6 . 1 1 93 93 GLU HA H 93 4.181 4.181 4.054 0.127 18728 5580 1 6 . 1 1 93 93 GLU C C 93 176.605 176.605 179.032 -2.427 18728 5581 1 6 . 1 1 93 93 GLU CA C 93 57.185 57.185 59.104 -1.919 18728 5582 1 6 . 1 1 93 93 GLU CB C 93 30.015 30.015 29.164 0.851 18728 5583 1 6 . 1 1 93 93 GLU H H 93 8.503 8.503 8.493 0.010 18728 5584 1 6 . 1 1 94 94 ASP N N 94 121.305 121.305 118.883 2.422 18728 5585 1 6 . 1 1 94 94 ASP HA H 94 4.540 4.540 4.609 -0.069 18728 5586 1 6 . 1 1 94 94 ASP C C 94 176.744 176.744 178.400 -1.656 18728 5587 1 6 . 1 1 94 94 ASP CA C 94 54.678 54.678 55.551 -0.873 18728 5588 1 6 . 1 1 94 94 ASP CB C 94 41.183 41.183 40.830 0.353 18728 5589 1 6 . 1 1 94 94 ASP H H 94 8.229 8.229 7.912 0.317 18728 5590 1 6 . 1 1 95 95 SER N N 95 115.787 115.787 115.413 0.374 18728 5591 1 6 . 1 1 95 95 SER HA H 95 4.286 4.286 4.098 0.188 18728 5592 1 6 . 1 1 95 95 SER C C 95 174.602 174.602 175.753 -1.151 18728 5593 1 6 . 1 1 95 95 SER CA C 95 58.957 58.957 60.192 -1.235 18728 5594 1 6 . 1 1 95 95 SER CB C 95 64.524 64.524 63.204 1.320 18728 5595 1 6 . 1 1 95 95 SER H H 95 8.109 8.109 7.858 0.251 18728 5596 1 6 . 1 1 96 96 GLN N N 96 120.796 120.796 119.744 1.052 18728 5597 1 6 . 1 1 96 96 GLN HA H 96 4.297 4.297 4.145 0.152 18728 5598 1 6 . 1 1 96 96 GLN C C 96 175.742 175.742 176.171 -0.429 18728 5599 1 6 . 1 1 96 96 GLN CA C 96 55.721 55.721 56.805 -1.084 18728 5600 1 6 . 1 1 96 96 GLN CB C 96 29.313 29.313 29.068 0.245 18728 5601 1 6 . 1 1 96 96 GLN H H 96 8.161 8.161 7.414 0.747 18728 5602 1 6 . 1 1 97 97 ARG N N 97 122.462 122.462 120.373 2.089 18728 5603 1 6 . 1 1 97 97 ARG HA H 97 4.552 4.552 4.588 -0.036 18728 5604 1 6 . 1 1 97 97 ARG CA C 97 54.096 54.096 52.514 1.582 18728 5605 1 6 . 1 1 97 97 ARG CB C 97 30.115 30.115 28.730 1.385 18728 5606 1 6 . 1 1 97 97 ARG H H 97 8.029 8.029 7.624 0.405 18728 5607 1 6 . 1 1 98 98 PRO HA H 98 4.362 4.362 4.334 0.028 18728 5608 1 6 . 1 1 98 98 PRO C C 98 177.715 177.715 177.443 0.272 18728 5609 1 6 . 1 1 98 98 PRO CA C 98 63.592 63.592 63.554 0.038 18728 5610 1 6 . 1 1 98 98 PRO CB C 98 31.955 31.955 31.131 0.824 18728 5611 1 6 . 1 1 99 99 GLY N N 99 109.572 109.572 113.390 -3.818 18728 5612 1 6 . 1 1 99 99 GLY C C 99 174.356 174.356 175.123 -0.767 18728 5613 1 6 . 1 1 99 99 GLY CA C 99 45.395 45.395 44.789 0.606 18728 5614 1 6 . 1 1 99 99 GLY H H 99 8.516 8.516 8.635 -0.119 18728 5615 1 6 . 1 1 100 100 ALA N N 100 123.418 123.418 123.686 -0.268 18728 5616 1 6 . 1 1 100 100 ALA HA H 100 4.141 4.141 3.888 0.253 18728 5617 1 6 . 1 1 100 100 ALA CA C 100 53.160 53.160 54.199 -1.039 18728 5618 1 6 . 1 1 100 100 ALA CB C 100 19.185 19.185 19.290 -0.105 18728 5619 1 6 . 1 1 100 100 ALA H H 100 8.015 8.015 7.294 0.721 18728 5620 1 6 . 1 1 101 101 HIS HA H 101 4.502 4.502 4.584 -0.082 18728 5621 1 6 . 1 1 101 101 HIS C C 101 175.102 175.102 174.558 0.544 18728 5622 1 6 . 1 1 101 101 HIS CA C 101 56.309 56.309 53.885 2.424 18728 5623 1 6 . 1 1 101 101 HIS CB C 101 30.450 30.450 29.226 1.224 18728 5624 1 6 . 1 1 102 102 LEU N N 102 122.495 122.495 120.181 2.314 18728 5625 1 6 . 1 1 102 102 LEU HA H 102 4.263 4.263 4.411 -0.148 18728 5626 1 6 . 1 1 102 102 LEU C C 102 177.020 177.020 177.162 -0.142 18728 5627 1 6 . 1 1 102 102 LEU CA C 102 54.934 54.934 54.694 0.239 18728 5628 1 6 . 1 1 102 102 LEU CB C 102 42.414 42.414 43.252 -0.838 18728 5629 1 6 . 1 1 102 102 LEU H H 102 7.774 7.774 6.994 0.780 18728 5630 1 6 . 1 1 103 103 THR N N 103 115.720 115.720 118.598 -2.878 18728 5631 1 6 . 1 1 103 103 THR HA H 103 4.220 4.220 4.206 0.014 18728 5632 1 6 . 1 1 103 103 THR C C 103 174.185 174.185 173.892 0.293 18728 5633 1 6 . 1 1 103 103 THR CA C 103 60.917 60.917 62.647 -1.730 18728 5634 1 6 . 1 1 103 103 THR CB C 103 69.340 69.340 67.361 1.979 18728 5635 1 6 . 1 1 103 103 THR H H 103 8.001 8.001 8.335 -0.334 18728 5636 1 6 . 1 1 104 104 VAL N N 104 122.004 122.004 121.666 0.338 18728 5637 1 6 . 1 1 104 104 VAL HA H 104 4.330 4.330 4.614 -0.284 18728 5638 1 6 . 1 1 104 104 VAL C C 104 175.294 175.294 174.660 0.634 18728 5639 1 6 . 1 1 104 104 VAL CA C 104 61.877 61.877 59.797 2.079 18728 5640 1 6 . 1 1 104 104 VAL CB C 104 34.220 34.220 34.926 -0.706 18728 5641 1 6 . 1 1 104 104 VAL H H 104 8.191 8.191 7.873 0.318 18728 5642 1 6 . 1 1 105 105 LYS N N 105 121.406 121.406 124.316 -2.910 18728 5643 1 6 . 1 1 105 105 LYS HA H 105 4.498 4.498 4.520 -0.022 18728 5644 1 6 . 1 1 105 105 LYS C C 105 173.482 173.482 175.760 -2.278 18728 5645 1 6 . 1 1 105 105 LYS CA C 105 56.433 56.433 55.630 0.803 18728 5646 1 6 . 1 1 105 105 LYS CB C 105 33.245 33.245 32.690 0.555 18728 5647 1 6 . 1 1 105 105 LYS H H 105 8.672 8.672 8.650 0.022 18728 5648 1 6 . 1 1 106 106 LYS N N 106 121.756 121.756 119.619 2.137 18728 5649 1 6 . 1 1 106 106 LYS HA H 106 5.623 5.623 5.473 0.150 18728 5650 1 6 . 1 1 106 106 LYS C C 106 175.153 175.153 175.432 -0.279 18728 5651 1 6 . 1 1 106 106 LYS CA C 106 54.537 54.537 54.804 -0.267 18728 5652 1 6 . 1 1 106 106 LYS CB C 106 37.407 37.407 36.390 1.017 18728 5653 1 6 . 1 1 106 106 LYS H H 106 7.134 7.134 7.770 -0.636 18728 5654 1 6 . 1 1 107 107 ILE N N 107 115.982 115.982 118.435 -2.453 18728 5655 1 6 . 1 1 107 107 ILE HA H 107 5.110 5.110 5.309 -0.199 18728 5656 1 6 . 1 1 107 107 ILE C C 107 174.525 174.525 174.100 0.425 18728 5657 1 6 . 1 1 107 107 ILE CA C 107 59.009 59.009 58.962 0.047 18728 5658 1 6 . 1 1 107 107 ILE CB C 107 40.552 40.552 41.512 -0.960 18728 5659 1 6 . 1 1 107 107 ILE H H 107 8.948 8.948 8.880 0.068 18728 5660 1 6 . 1 1 108 108 PHE N N 108 124.182 124.182 124.541 -0.359 18728 5661 1 6 . 1 1 108 108 PHE HA H 108 4.696 4.696 4.798 -0.102 18728 5662 1 6 . 1 1 108 108 PHE C C 108 173.422 173.422 173.417 0.005 18728 5663 1 6 . 1 1 108 108 PHE CA C 108 56.567 56.567 55.788 0.779 18728 5664 1 6 . 1 1 108 108 PHE CB C 108 41.596 41.596 41.793 -0.197 18728 5665 1 6 . 1 1 108 108 PHE H H 108 9.103 9.103 8.738 0.365 18728 5666 1 6 . 1 1 109 109 VAL N N 109 126.956 126.956 126.307 0.649 18728 5667 1 6 . 1 1 109 109 VAL HA H 109 4.497 4.497 4.906 -0.409 18728 5668 1 6 . 1 1 109 109 VAL C C 109 174.097 174.097 174.178 -0.081 18728 5669 1 6 . 1 1 109 109 VAL CA C 109 60.493 60.493 60.063 0.430 18728 5670 1 6 . 1 1 109 109 VAL CB C 109 33.266 33.266 33.337 -0.071 18728 5671 1 6 . 1 1 109 109 VAL H H 109 8.338 8.338 8.432 -0.094 18728 5672 1 6 . 1 1 110 110 GLY N N 110 113.617 113.617 113.077 0.540 18728 5673 1 6 . 1 1 110 110 GLY C C 110 174.325 174.325 173.420 0.905 18728 5674 1 6 . 1 1 110 110 GLY CA C 110 44.011 44.011 43.305 0.706 18728 5675 1 6 . 1 1 110 110 GLY H H 110 9.173 9.173 8.639 0.534 18728 5676 1 6 . 1 1 111 111 GLY N N 111 106.411 106.411 111.484 -5.073 18728 5677 1 6 . 1 1 111 111 GLY CA C 111 46.359 46.359 45.047 1.312 18728 5678 1 6 . 1 1 111 111 GLY H H 111 8.221 8.221 8.589 -0.368 18728 5679 1 6 . 1 1 116 116 THR HA H 116 4.322 4.322 4.968 -0.646 18728 5680 1 6 . 1 1 116 116 THR C C 116 173.380 173.380 173.857 -0.477 18728 5681 1 6 . 1 1 116 116 THR CA C 116 63.000 63.000 61.526 1.474 18728 5682 1 6 . 1 1 117 117 GLU N N 117 130.298 130.298 127.597 2.701 18728 5683 1 6 . 1 1 117 117 GLU HA H 117 4.632 4.632 4.790 -0.158 18728 5684 1 6 . 1 1 117 117 GLU C C 117 177.632 177.632 176.114 1.518 18728 5685 1 6 . 1 1 117 117 GLU CA C 117 53.853 53.853 53.967 -0.114 18728 5686 1 6 . 1 1 117 117 GLU CB C 117 32.977 32.977 31.605 1.372 18728 5687 1 6 . 1 1 117 117 GLU H H 117 11.190 11.190 9.158 2.032 18728 5688 1 6 . 1 1 118 118 GLU N N 118 122.126 122.126 120.802 1.324 18728 5689 1 6 . 1 1 118 118 GLU HA H 118 3.627 3.627 3.959 -0.332 18728 5690 1 6 . 1 1 118 118 GLU C C 118 179.294 179.294 177.790 1.504 18728 5691 1 6 . 1 1 118 118 GLU CA C 118 61.689 61.689 60.591 1.098 18728 5692 1 6 . 1 1 118 118 GLU CB C 118 29.075 29.075 29.504 -0.429 18728 5693 1 6 . 1 1 118 118 GLU H H 118 9.339 9.339 8.858 0.481 18728 5694 1 6 . 1 1 119 119 HIS N N 119 113.514 113.514 117.536 -4.022 18728 5695 1 6 . 1 1 119 119 HIS HA H 119 4.265 4.265 4.219 0.046 18728 5696 1 6 . 1 1 119 119 HIS C C 119 176.566 176.566 177.386 -0.820 18728 5697 1 6 . 1 1 119 119 HIS CA C 119 58.917 58.917 59.397 -0.480 18728 5698 1 6 . 1 1 119 119 HIS CB C 119 28.187 28.187 29.665 -1.478 18728 5699 1 6 . 1 1 119 119 HIS H H 119 8.240 8.240 8.564 -0.324 18728 5700 1 6 . 1 1 120 120 HIS N N 120 118.629 118.629 117.721 0.908 18728 5701 1 6 . 1 1 120 120 HIS HA H 120 4.332 4.332 4.126 0.206 18728 5702 1 6 . 1 1 120 120 HIS C C 120 179.713 179.713 177.396 2.317 18728 5703 1 6 . 1 1 120 120 HIS CA C 120 60.310 60.310 59.180 1.130 18728 5704 1 6 . 1 1 120 120 HIS CB C 120 32.233 32.233 30.076 2.157 18728 5705 1 6 . 1 1 120 120 HIS H H 120 6.474 6.474 7.269 -0.795 18728 5706 1 6 . 1 1 121 121 LEU N N 121 117.249 117.249 115.950 1.299 18728 5707 1 6 . 1 1 121 121 LEU HA H 121 4.179 4.179 4.378 -0.199 18728 5708 1 6 . 1 1 121 121 LEU C C 121 178.020 178.020 178.530 -0.510 18728 5709 1 6 . 1 1 121 121 LEU CA C 121 57.924 57.924 57.442 0.482 18728 5710 1 6 . 1 1 121 121 LEU CB C 121 42.577 42.577 41.336 1.241 18728 5711 1 6 . 1 1 121 121 LEU H H 121 7.132 7.132 7.686 -0.554 18728 5712 1 6 . 1 1 122 122 ARG N N 122 121.766 121.766 121.577 0.189 18728 5713 1 6 . 1 1 122 122 ARG HA H 122 3.741 3.741 4.057 -0.316 18728 5714 1 6 . 1 1 122 122 ARG C C 122 177.023 177.023 177.967 -0.944 18728 5715 1 6 . 1 1 122 122 ARG CA C 122 60.508 60.508 59.942 0.566 18728 5716 1 6 . 1 1 122 122 ARG CB C 122 30.256 30.256 29.842 0.414 18728 5717 1 6 . 1 1 122 122 ARG H H 122 8.759 8.759 8.761 -0.002 18728 5718 1 6 . 1 1 123 123 ASP N N 123 116.299 116.299 117.793 -1.494 18728 5719 1 6 . 1 1 123 123 ASP HA H 123 4.294 4.294 4.393 -0.099 18728 5720 1 6 . 1 1 123 123 ASP C C 123 178.057 178.057 178.001 0.056 18728 5721 1 6 . 1 1 123 123 ASP CA C 123 57.076 57.076 57.423 -0.347 18728 5722 1 6 . 1 1 123 123 ASP CB C 123 40.572 40.572 40.641 -0.069 18728 5723 1 6 . 1 1 123 123 ASP H H 123 8.423 8.423 8.056 0.367 18728 5724 1 6 . 1 1 124 124 TYR N N 124 115.172 115.172 119.579 -4.407 18728 5725 1 6 . 1 1 124 124 TYR HA H 124 4.338 4.338 4.202 0.136 18728 5726 1 6 . 1 1 124 124 TYR C C 124 177.688 177.688 177.720 -0.032 18728 5727 1 6 . 1 1 124 124 TYR CA C 124 61.660 61.660 61.215 0.445 18728 5728 1 6 . 1 1 124 124 TYR CB C 124 39.847 39.847 38.910 0.937 18728 5729 1 6 . 1 1 124 124 TYR H H 124 7.212 7.212 7.401 -0.189 18728 5730 1 6 . 1 1 125 125 PHE N N 125 113.932 113.932 117.823 -3.891 18728 5731 1 6 . 1 1 125 125 PHE HA H 125 4.515 4.515 4.343 0.172 18728 5732 1 6 . 1 1 125 125 PHE C C 125 178.209 178.209 178.368 -0.159 18728 5733 1 6 . 1 1 125 125 PHE CA C 125 63.404 63.404 61.228 2.176 18728 5734 1 6 . 1 1 125 125 PHE CB C 125 38.614 38.614 38.579 0.035 18728 5735 1 6 . 1 1 125 125 PHE H H 125 8.802 8.802 8.900 -0.098 18728 5736 1 6 . 1 1 126 126 GLU N N 126 120.515 120.515 118.890 1.625 18728 5737 1 6 . 1 1 126 126 GLU HA H 126 4.884 4.884 4.491 0.393 18728 5738 1 6 . 1 1 126 126 GLU C C 126 177.936 177.936 177.313 0.623 18728 5739 1 6 . 1 1 126 126 GLU CA C 126 58.560 58.560 58.149 0.411 18728 5740 1 6 . 1 1 126 126 GLU CB C 126 28.516 28.516 29.298 -0.782 18728 5741 1 6 . 1 1 126 126 GLU H H 126 8.869 8.869 8.262 0.607 18728 5742 1 6 . 1 1 127 127 GLN N N 127 115.855 115.855 115.866 -0.011 18728 5743 1 6 . 1 1 127 127 GLN HA H 127 4.055 4.055 4.002 0.053 18728 5744 1 6 . 1 1 127 127 GLN C C 127 176.656 176.656 177.632 -0.976 18728 5745 1 6 . 1 1 127 127 GLN CA C 127 57.566 57.566 57.741 -0.175 18728 5746 1 6 . 1 1 127 127 GLN CB C 127 29.047 29.047 28.741 0.306 18728 5747 1 6 . 1 1 127 127 GLN H H 127 7.105 7.105 7.652 -0.547 18728 5748 1 6 . 1 1 128 128 TYR N N 128 116.626 116.626 116.776 -0.150 18728 5749 1 6 . 1 1 128 128 TYR HA H 128 4.328 4.328 4.401 -0.073 18728 5750 1 6 . 1 1 128 128 TYR C C 128 175.596 175.596 175.422 0.174 18728 5751 1 6 . 1 1 128 128 TYR CA C 128 59.492 59.492 59.776 -0.284 18728 5752 1 6 . 1 1 128 128 TYR CB C 128 39.539 39.539 40.075 -0.536 18728 5753 1 6 . 1 1 128 128 TYR H H 128 7.950 7.950 7.845 0.105 18728 5754 1 6 . 1 1 129 129 GLY N N 129 107.386 107.386 102.259 5.127 18728 5755 1 6 . 1 1 129 129 GLY C C 129 170.407 170.407 172.000 -1.593 18728 5756 1 6 . 1 1 129 129 GLY CA C 129 44.819 44.819 45.305 -0.486 18728 5757 1 6 . 1 1 129 129 GLY H H 129 7.492 7.492 7.658 -0.166 18728 5758 1 6 . 1 1 130 130 LYS N N 130 117.786 117.786 121.656 -3.870 18728 5759 1 6 . 1 1 130 130 LYS HA H 130 4.315 4.315 4.352 -0.037 18728 5760 1 6 . 1 1 130 130 LYS C C 130 177.097 177.097 175.419 1.678 18728 5761 1 6 . 1 1 130 130 LYS CA C 130 56.938 56.938 56.186 0.752 18728 5762 1 6 . 1 1 130 130 LYS CB C 130 33.199 33.199 33.297 -0.097 18728 5763 1 6 . 1 1 130 130 LYS H H 130 8.135 8.135 8.631 -0.496 18728 5764 1 6 . 1 1 131 131 ILE N N 131 127.829 127.829 127.221 0.608 18728 5765 1 6 . 1 1 131 131 ILE HA H 131 3.681 3.681 3.887 -0.206 18728 5766 1 6 . 1 1 131 131 ILE C C 131 175.841 175.841 176.065 -0.224 18728 5767 1 6 . 1 1 131 131 ILE CA C 131 61.625 61.625 60.496 1.129 18728 5768 1 6 . 1 1 131 131 ILE CB C 131 40.441 40.441 39.293 1.148 18728 5769 1 6 . 1 1 131 131 ILE H H 131 8.917 8.917 8.605 0.312 18728 5770 1 6 . 1 1 132 132 GLU N N 132 128.437 128.437 128.126 0.311 18728 5771 1 6 . 1 1 132 132 GLU HA H 132 4.320 4.320 4.294 0.026 18728 5772 1 6 . 1 1 132 132 GLU C C 132 176.192 176.192 175.942 0.250 18728 5773 1 6 . 1 1 132 132 GLU CA C 132 57.816 57.816 58.302 -0.486 18728 5774 1 6 . 1 1 132 132 GLU CB C 132 31.670 31.670 31.082 0.588 18728 5775 1 6 . 1 1 132 132 GLU H H 132 9.136 9.136 8.701 0.435 18728 5776 1 6 . 1 1 133 133 VAL N N 133 115.096 115.096 116.789 -1.693 18728 5777 1 6 . 1 1 133 133 VAL HA H 133 4.316 4.316 4.288 0.028 18728 5778 1 6 . 1 1 133 133 VAL C C 133 172.860 172.860 173.537 -0.677 18728 5779 1 6 . 1 1 133 133 VAL CA C 133 61.258 61.258 60.896 0.362 18728 5780 1 6 . 1 1 133 133 VAL CB C 133 35.526 35.526 34.664 0.862 18728 5781 1 6 . 1 1 133 133 VAL H H 133 7.272 7.272 7.415 -0.143 18728 5782 1 6 . 1 1 134 134 ILE N N 134 126.870 126.870 124.373 2.497 18728 5783 1 6 . 1 1 134 134 ILE HA H 134 4.464 4.464 4.398 0.066 18728 5784 1 6 . 1 1 134 134 ILE C C 134 174.004 174.004 174.867 -0.863 18728 5785 1 6 . 1 1 134 134 ILE CA C 134 60.904 60.904 60.573 0.331 18728 5786 1 6 . 1 1 134 134 ILE CB C 134 40.408 40.408 39.758 0.650 18728 5787 1 6 . 1 1 134 134 ILE H H 134 8.566 8.566 8.420 0.146 18728 5788 1 6 . 1 1 135 135 GLU N N 135 128.037 128.037 128.600 -0.563 18728 5789 1 6 . 1 1 135 135 GLU HA H 135 4.642 4.642 4.692 -0.050 18728 5790 1 6 . 1 1 135 135 GLU C C 135 174.883 174.883 175.313 -0.430 18728 5791 1 6 . 1 1 135 135 GLU CA C 135 54.640 54.640 55.214 -0.574 18728 5792 1 6 . 1 1 135 135 GLU CB C 135 33.259 33.259 30.768 2.491 18728 5793 1 6 . 1 1 135 135 GLU H H 135 9.019 9.019 8.938 0.081 18728 5794 1 6 . 1 1 136 136 ILE N N 136 126.668 126.668 126.328 0.340 18728 5795 1 6 . 1 1 136 136 ILE HA H 136 3.898 3.898 4.370 -0.472 18728 5796 1 6 . 1 1 136 136 ILE C C 136 176.157 176.157 175.373 0.784 18728 5797 1 6 . 1 1 136 136 ILE CA C 136 61.336 61.336 59.693 1.643 18728 5798 1 6 . 1 1 136 136 ILE CB C 136 37.397 37.397 37.507 -0.110 18728 5799 1 6 . 1 1 136 136 ILE H H 136 8.967 8.967 8.691 0.276 18728 5800 1 6 . 1 1 137 137 MET N N 137 126.115 126.115 128.361 -2.246 18728 5801 1 6 . 1 1 137 137 MET HA H 137 4.679 4.679 4.821 -0.142 18728 5802 1 6 . 1 1 137 137 MET C C 137 176.723 176.723 175.290 1.433 18728 5803 1 6 . 1 1 137 137 MET CA C 137 55.163 55.163 53.720 1.443 18728 5804 1 6 . 1 1 137 137 MET CB C 137 30.841 30.841 31.217 -0.376 18728 5805 1 6 . 1 1 137 137 MET H H 137 7.656 7.656 8.687 -1.031 18728 5806 1 6 . 1 1 138 138 THR N N 138 116.735 116.735 115.137 1.598 18728 5807 1 6 . 1 1 138 138 THR HA H 138 4.746 4.746 4.958 -0.212 18728 5808 1 6 . 1 1 138 138 THR C C 138 173.642 173.642 173.514 0.128 18728 5809 1 6 . 1 1 138 138 THR CA C 138 60.385 60.385 59.721 0.664 18728 5810 1 6 . 1 1 138 138 THR CB C 138 72.028 72.028 72.229 -0.201 18728 5811 1 6 . 1 1 138 138 THR H H 138 8.551 8.551 8.500 0.051 18728 5812 1 6 . 1 1 139 139 ASP N N 139 123.899 123.899 121.050 2.849 18728 5813 1 6 . 1 1 139 139 ASP HA H 139 4.677 4.677 4.737 -0.060 18728 5814 1 6 . 1 1 139 139 ASP CA C 139 53.728 53.728 52.830 0.898 18728 5815 1 6 . 1 1 139 139 ASP CB C 139 42.270 42.270 42.986 -0.716 18728 5816 1 6 . 1 1 139 139 ASP H H 139 8.818 8.818 8.600 0.218 18728 5817 1 6 . 1 1 140 140 ARG HA H 140 4.037 4.037 4.148 -0.111 18728 5818 1 6 . 1 1 140 140 ARG C C 140 177.886 177.886 177.254 0.632 18728 5819 1 6 . 1 1 140 140 ARG CB C 140 29.886 29.886 30.454 -0.568 18728 5820 1 6 . 1 1 141 141 GLY N N 141 107.951 107.951 106.883 1.068 18728 5821 1 6 . 1 1 141 141 GLY C C 141 174.861 174.861 175.928 -1.067 18728 5822 1 6 . 1 1 141 141 GLY CA C 141 46.490 46.490 45.728 0.762 18728 5823 1 6 . 1 1 141 141 GLY H H 141 8.635 8.635 8.169 0.466 18728 5824 1 6 . 1 1 142 142 SER N N 142 114.044 114.044 115.834 -1.790 18728 5825 1 6 . 1 1 142 142 SER HA H 142 4.533 4.533 4.518 0.015 18728 5826 1 6 . 1 1 142 142 SER C C 142 176.080 176.080 175.074 1.006 18728 5827 1 6 . 1 1 142 142 SER CA C 142 58.429 58.429 58.838 -0.409 18728 5828 1 6 . 1 1 142 142 SER CB C 142 65.439 65.439 64.041 1.398 18728 5829 1 6 . 1 1 142 142 SER H H 142 8.034 8.034 8.929 -0.895 18728 5830 1 6 . 1 1 143 143 GLY N N 143 112.348 112.348 108.331 4.017 18728 5831 1 6 . 1 1 143 143 GLY C C 143 173.949 173.949 173.775 0.174 18728 5832 1 6 . 1 1 143 143 GLY CA C 143 45.703 45.703 45.641 0.062 18728 5833 1 6 . 1 1 143 143 GLY H H 143 8.363 8.363 7.497 0.866 18728 5834 1 6 . 1 1 144 144 LYS N N 144 119.966 119.966 119.024 0.942 18728 5835 1 6 . 1 1 144 144 LYS HA H 144 4.273 4.273 4.448 -0.175 18728 5836 1 6 . 1 1 144 144 LYS C C 144 176.969 176.969 176.423 0.546 18728 5837 1 6 . 1 1 144 144 LYS CA C 144 56.145 56.145 53.954 2.191 18728 5838 1 6 . 1 1 144 144 LYS CB C 144 33.378 33.378 33.525 -0.147 18728 5839 1 6 . 1 1 144 144 LYS H H 144 7.786 7.786 7.680 0.106 18728 5840 1 6 . 1 1 145 145 LYS N N 145 123.668 123.668 122.492 1.176 18728 5841 1 6 . 1 1 145 145 LYS HA H 145 4.187 4.187 4.343 -0.156 18728 5842 1 6 . 1 1 145 145 LYS C C 145 177.498 177.498 177.111 0.387 18728 5843 1 6 . 1 1 145 145 LYS CA C 145 57.392 57.392 56.684 0.708 18728 5844 1 6 . 1 1 145 145 LYS CB C 145 32.577 32.577 32.095 0.482 18728 5845 1 6 . 1 1 145 145 LYS H H 145 8.968 8.968 8.601 0.367 18728 5846 1 6 . 1 1 146 146 ARG N N 146 119.700 119.700 123.180 -3.480 18728 5847 1 6 . 1 1 146 146 ARG HA H 146 4.294 4.294 4.125 0.169 18728 5848 1 6 . 1 1 146 146 ARG CA C 146 56.365 56.365 55.101 1.264 18728 5849 1 6 . 1 1 146 146 ARG CB C 146 30.786 30.786 29.527 1.258 18728 5850 1 6 . 1 1 146 146 ARG H H 146 8.095 8.095 8.546 -0.451 18728 5851 1 6 . 1 1 147 147 GLY N N 147 110.572 110.572 106.052 4.520 18728 5852 1 6 . 1 1 147 147 GLY C C 147 173.384 173.384 172.968 0.416 18728 5853 1 6 . 1 1 147 147 GLY CA C 147 45.440 45.440 44.988 0.452 18728 5854 1 6 . 1 1 147 147 GLY H H 147 8.401 8.401 8.495 -0.094 18728 5855 1 6 . 1 1 148 148 PHE N N 148 114.199 114.199 114.336 -0.137 18728 5856 1 6 . 1 1 148 148 PHE HA H 148 5.194 5.194 5.430 -0.236 18728 5857 1 6 . 1 1 148 148 PHE C C 148 172.409 172.409 172.748 -0.339 18728 5858 1 6 . 1 1 148 148 PHE CA C 148 55.282 55.282 55.014 0.268 18728 5859 1 6 . 1 1 148 148 PHE CB C 148 41.869 41.869 40.880 0.989 18728 5860 1 6 . 1 1 148 148 PHE H H 148 7.255 7.255 6.881 0.374 18728 5861 1 6 . 1 1 149 149 ALA N N 149 121.427 121.427 119.636 1.791 18728 5862 1 6 . 1 1 149 149 ALA HA H 149 4.966 4.966 4.788 0.178 18728 5863 1 6 . 1 1 149 149 ALA C C 149 174.084 174.084 174.483 -0.399 18728 5864 1 6 . 1 1 149 149 ALA CA C 149 49.755 49.755 50.823 -1.068 18728 5865 1 6 . 1 1 149 149 ALA CB C 149 25.094 25.094 22.589 2.505 18728 5866 1 6 . 1 1 149 149 ALA H H 149 8.786 8.786 8.772 0.014 18728 5867 1 6 . 1 1 150 150 PHE N N 150 114.425 114.425 116.551 -2.126 18728 5868 1 6 . 1 1 150 150 PHE HA H 150 5.874 5.874 5.513 0.361 18728 5869 1 6 . 1 1 150 150 PHE C C 150 176.196 176.196 174.470 1.726 18728 5870 1 6 . 1 1 150 150 PHE CA C 150 56.070 56.070 56.737 -0.667 18728 5871 1 6 . 1 1 150 150 PHE CB C 150 43.251 43.251 44.095 -0.844 18728 5872 1 6 . 1 1 150 150 PHE H H 150 8.689 8.689 9.163 -0.474 18728 5873 1 6 . 1 1 151 151 VAL N N 151 122.489 122.489 121.451 1.038 18728 5874 1 6 . 1 1 151 151 VAL HA H 151 4.375 4.375 4.462 -0.087 18728 5875 1 6 . 1 1 151 151 VAL C C 151 173.932 173.932 174.938 -1.006 18728 5876 1 6 . 1 1 151 151 VAL CA C 151 61.454 61.454 61.071 0.383 18728 5877 1 6 . 1 1 151 151 VAL CB C 151 33.869 33.869 34.490 -0.621 18728 5878 1 6 . 1 1 151 151 VAL H H 151 8.559 8.559 8.993 -0.434 18728 5879 1 6 . 1 1 152 152 THR N N 152 123.112 123.112 123.331 -0.219 18728 5880 1 6 . 1 1 152 152 THR HA H 152 4.995 4.995 4.814 0.181 18728 5881 1 6 . 1 1 152 152 THR C C 152 174.047 174.047 173.577 0.470 18728 5882 1 6 . 1 1 152 152 THR CA C 152 61.931 61.931 62.127 -0.196 18728 5883 1 6 . 1 1 152 152 THR CB C 152 69.689 69.689 69.544 0.145 18728 5884 1 6 . 1 1 152 152 THR H H 152 8.723 8.723 8.544 0.179 18728 5885 1 6 . 1 1 153 153 PHE N N 153 127.746 127.746 126.604 1.142 18728 5886 1 6 . 1 1 153 153 PHE HA H 153 4.840 4.840 4.711 0.129 18728 5887 1 6 . 1 1 153 153 PHE C C 153 174.720 174.720 175.087 -0.367 18728 5888 1 6 . 1 1 153 153 PHE CA C 153 58.098 58.098 58.199 -0.101 18728 5889 1 6 . 1 1 153 153 PHE CB C 153 41.706 41.706 41.627 0.079 18728 5890 1 6 . 1 1 153 153 PHE H H 153 9.368 9.368 9.261 0.107 18728 5891 1 6 . 1 1 154 154 ASP N N 154 118.371 118.371 120.209 -1.838 18728 5892 1 6 . 1 1 154 154 ASP HA H 154 4.486 4.486 4.562 -0.076 18728 5893 1 6 . 1 1 154 154 ASP C C 154 175.668 175.668 175.499 0.169 18728 5894 1 6 . 1 1 154 154 ASP CA C 154 56.114 56.114 56.350 -0.236 18728 5895 1 6 . 1 1 154 154 ASP CB C 154 42.576 42.576 42.517 0.059 18728 5896 1 6 . 1 1 154 154 ASP H H 154 8.196 8.196 8.851 -0.655 18728 5897 1 6 . 1 1 155 155 ASP N N 155 117.144 117.144 117.327 -0.183 18728 5898 1 6 . 1 1 155 155 ASP HA H 155 4.909 4.909 4.860 0.049 18728 5899 1 6 . 1 1 155 155 ASP C C 155 176.392 176.392 176.300 0.092 18728 5900 1 6 . 1 1 155 155 ASP CA C 155 52.615 52.615 52.732 -0.117 18728 5901 1 6 . 1 1 155 155 ASP CB C 155 44.471 44.471 44.307 0.164 18728 5902 1 6 . 1 1 155 155 ASP H H 155 8.323 8.323 7.843 0.480 18728 5903 1 6 . 1 1 156 156 HIS N N 156 121.508 121.508 120.119 1.389 18728 5904 1 6 . 1 1 156 156 HIS HA H 156 4.336 4.336 4.591 -0.255 18728 5905 1 6 . 1 1 156 156 HIS C C 156 176.855 176.855 176.383 0.472 18728 5906 1 6 . 1 1 156 156 HIS CA C 156 58.593 58.593 57.224 1.369 18728 5907 1 6 . 1 1 156 156 HIS CB C 156 29.703 29.703 29.774 -0.071 18728 5908 1 6 . 1 1 156 156 HIS H H 156 8.492 8.492 8.357 0.135 18728 5909 1 6 . 1 1 157 157 ASP N N 157 122.539 122.539 120.589 1.950 18728 5910 1 6 . 1 1 157 157 ASP HA H 157 4.254 4.254 4.358 -0.104 18728 5911 1 6 . 1 1 157 157 ASP C C 157 178.233 178.233 178.243 -0.010 18728 5912 1 6 . 1 1 157 157 ASP CA C 157 57.047 57.047 57.813 -0.766 18728 5913 1 6 . 1 1 157 157 ASP CB C 157 40.875 40.875 40.679 0.196 18728 5914 1 6 . 1 1 157 157 ASP H H 157 8.345 8.345 8.461 -0.116 18728 5915 1 6 . 1 1 158 158 SER N N 158 113.623 113.623 113.113 0.510 18728 5916 1 6 . 1 1 158 158 SER HA H 158 3.899 3.899 4.206 -0.307 18728 5917 1 6 . 1 1 158 158 SER C C 158 174.750 174.750 175.844 -1.094 18728 5918 1 6 . 1 1 158 158 SER CA C 158 61.914 61.914 61.039 0.875 18728 5919 1 6 . 1 1 158 158 SER CB C 158 63.088 63.088 62.647 0.441 18728 5920 1 6 . 1 1 158 158 SER H H 158 7.424 7.424 8.115 -0.691 18728 5921 1 6 . 1 1 159 159 VAL N N 159 118.448 118.448 123.022 -4.574 18728 5922 1 6 . 1 1 159 159 VAL HA H 159 2.913 2.913 3.350 -0.437 18728 5923 1 6 . 1 1 159 159 VAL C C 159 177.269 177.269 177.208 0.061 18728 5924 1 6 . 1 1 159 159 VAL CA C 159 66.512 66.512 65.880 0.632 18728 5925 1 6 . 1 1 159 159 VAL CB C 159 31.395 31.395 31.260 0.135 18728 5926 1 6 . 1 1 159 159 VAL H H 159 6.484 6.484 7.145 -0.661 18728 5927 1 6 . 1 1 160 160 ASP N N 160 119.064 119.064 119.454 -0.390 18728 5928 1 6 . 1 1 160 160 ASP HA H 160 4.275 4.275 4.379 -0.104 18728 5929 1 6 . 1 1 160 160 ASP C C 160 178.284 178.284 178.634 -0.350 18728 5930 1 6 . 1 1 160 160 ASP CA C 160 57.798 57.798 57.561 0.237 18728 5931 1 6 . 1 1 160 160 ASP CB C 160 40.288 40.288 40.656 -0.367 18728 5932 1 6 . 1 1 160 160 ASP H H 160 7.663 7.663 8.564 -0.901 18728 5933 1 6 . 1 1 161 161 LYS N N 161 116.568 116.568 119.149 -2.581 18728 5934 1 6 . 1 1 161 161 LYS HA H 161 4.030 4.030 4.090 -0.060 18728 5935 1 6 . 1 1 161 161 LYS C C 161 178.205 178.205 178.607 -0.402 18728 5936 1 6 . 1 1 161 161 LYS CA C 161 58.796 58.796 59.414 -0.618 18728 5937 1 6 . 1 1 161 161 LYS CB C 161 33.298 33.298 32.587 0.712 18728 5938 1 6 . 1 1 161 161 LYS H H 161 7.465 7.465 7.430 0.035 18728 5939 1 6 . 1 1 162 162 ILE N N 162 119.457 119.457 118.225 1.232 18728 5940 1 6 . 1 1 162 162 ILE HA H 162 3.241 3.241 3.678 -0.437 18728 5941 1 6 . 1 1 162 162 ILE C C 162 179.129 179.129 178.030 1.099 18728 5942 1 6 . 1 1 162 162 ILE CA C 162 65.201 65.201 64.409 0.792 18728 5943 1 6 . 1 1 162 162 ILE CB C 162 39.170 39.170 37.926 1.244 18728 5944 1 6 . 1 1 162 162 ILE H H 162 7.367 7.367 7.005 0.362 18728 5945 1 6 . 1 1 163 163 VAL N N 163 109.705 109.705 116.619 -6.914 18728 5946 1 6 . 1 1 163 163 VAL HA H 163 4.093 4.093 3.951 0.142 18728 5947 1 6 . 1 1 163 163 VAL C C 163 176.685 176.685 176.583 0.102 18728 5948 1 6 . 1 1 163 163 VAL CA C 163 64.137 64.137 64.490 -0.353 18728 5949 1 6 . 1 1 163 163 VAL CB C 163 30.720 30.720 30.787 -0.067 18728 5950 1 6 . 1 1 163 163 VAL H H 163 7.814 7.814 7.770 0.044 18728 5951 1 6 . 1 1 164 164 ILE N N 164 118.885 118.885 118.343 0.542 18728 5952 1 6 . 1 1 164 164 ILE HA H 164 3.968 3.968 3.873 0.095 18728 5953 1 6 . 1 1 164 164 ILE C C 164 176.006 176.006 176.326 -0.320 18728 5954 1 6 . 1 1 164 164 ILE CA C 164 63.328 63.328 63.594 -0.266 18728 5955 1 6 . 1 1 164 164 ILE CB C 164 38.136 38.136 38.362 -0.226 18728 5956 1 6 . 1 1 164 164 ILE H H 164 6.979 6.979 7.066 -0.087 18728 5957 1 6 . 1 1 165 165 GLN N N 165 120.509 120.509 118.074 2.435 18728 5958 1 6 . 1 1 165 165 GLN HA H 165 4.472 4.472 4.439 0.033 18728 5959 1 6 . 1 1 165 165 GLN C C 165 174.808 174.808 174.908 -0.100 18728 5960 1 6 . 1 1 165 165 GLN CA C 165 54.743 54.743 54.504 0.239 18728 5961 1 6 . 1 1 165 165 GLN CB C 165 30.183 30.183 28.532 1.651 18728 5962 1 6 . 1 1 165 165 GLN H H 165 7.490 7.490 7.660 -0.170 18728 5963 1 6 . 1 1 166 166 LYS N N 166 122.953 122.953 123.298 -0.345 18728 5964 1 6 . 1 1 166 166 LYS HA H 166 3.992 3.992 3.927 0.065 18728 5965 1 6 . 1 1 166 166 LYS C C 166 175.496 175.496 174.927 0.569 18728 5966 1 6 . 1 1 166 166 LYS CA C 166 59.718 59.718 59.031 0.687 18728 5967 1 6 . 1 1 166 166 LYS CB C 166 33.115 33.115 32.998 0.117 18728 5968 1 6 . 1 1 166 166 LYS H H 166 8.085 8.085 8.387 -0.302 18728 5969 1 6 . 1 1 167 167 TYR N N 167 114.210 114.210 115.276 -1.066 18728 5970 1 6 . 1 1 167 167 TYR HA H 167 5.457 5.457 5.479 -0.022 18728 5971 1 6 . 1 1 167 167 TYR C C 167 175.593 175.593 175.683 -0.090 18728 5972 1 6 . 1 1 167 167 TYR CA C 167 56.417 56.417 56.193 0.224 18728 5973 1 6 . 1 1 167 167 TYR CB C 167 40.057 40.057 41.141 -1.084 18728 5974 1 6 . 1 1 167 167 TYR H H 167 7.740 7.740 7.550 0.190 18728 5975 1 6 . 1 1 168 168 HIS N N 168 122.617 122.617 121.832 0.785 18728 5976 1 6 . 1 1 168 168 HIS HA H 168 4.526 4.526 5.102 -0.576 18728 5977 1 6 . 1 1 168 168 HIS C C 168 174.213 174.213 173.960 0.253 18728 5978 1 6 . 1 1 168 168 HIS CA C 168 55.233 55.233 55.211 0.022 18728 5979 1 6 . 1 1 168 168 HIS CB C 168 34.906 34.906 34.878 0.028 18728 5980 1 6 . 1 1 168 168 HIS H H 168 9.035 9.035 9.347 -0.312 18728 5981 1 6 . 1 1 169 169 THR N N 169 121.981 121.981 119.506 2.475 18728 5982 1 6 . 1 1 169 169 THR HA H 169 4.722 4.722 4.752 -0.030 18728 5983 1 6 . 1 1 169 169 THR C C 169 172.973 172.973 173.720 -0.747 18728 5984 1 6 . 1 1 169 169 THR CA C 169 61.620 61.620 62.073 -0.453 18728 5985 1 6 . 1 1 169 169 THR CB C 169 68.692 68.692 69.059 -0.367 18728 5986 1 6 . 1 1 169 169 THR H H 169 8.784 8.784 8.702 0.082 18728 5987 1 6 . 1 1 170 170 VAL N N 170 125.540 125.540 126.471 -0.931 18728 5988 1 6 . 1 1 170 170 VAL HA H 170 3.751 3.751 3.842 -0.091 18728 5989 1 6 . 1 1 170 170 VAL C C 170 175.997 175.997 176.166 -0.169 18728 5990 1 6 . 1 1 170 170 VAL CA C 170 60.770 60.770 59.703 1.067 18728 5991 1 6 . 1 1 170 170 VAL CB C 170 34.216 34.216 33.514 0.702 18728 5992 1 6 . 1 1 170 170 VAL H H 170 8.268 8.268 8.596 -0.328 18728 5993 1 6 . 1 1 171 171 ASN N N 171 126.811 126.811 123.635 3.176 18728 5994 1 6 . 1 1 171 171 ASN HA H 171 4.065 4.065 4.193 -0.128 18728 5995 1 6 . 1 1 171 171 ASN C C 171 174.266 174.266 175.456 -1.190 18728 5996 1 6 . 1 1 171 171 ASN CA C 171 53.184 53.184 53.740 -0.556 18728 5997 1 6 . 1 1 171 171 ASN CB C 171 37.436 37.436 37.504 -0.068 18728 5998 1 6 . 1 1 171 171 ASN H H 171 9.437 9.437 9.047 0.390 18728 5999 1 6 . 1 1 172 172 GLY N N 172 100.629 100.629 102.880 -2.251 18728 6000 1 6 . 1 1 172 172 GLY C C 172 173.335 173.335 174.250 -0.915 18728 6001 1 6 . 1 1 172 172 GLY CA C 172 45.154 45.154 45.448 -0.294 18728 6002 1 6 . 1 1 172 172 GLY H H 172 8.194 8.194 8.460 -0.266 18728 6003 1 6 . 1 1 173 173 HIS N N 173 119.555 119.555 119.034 0.521 18728 6004 1 6 . 1 1 173 173 HIS HA H 173 4.860 4.860 4.651 0.209 18728 6005 1 6 . 1 1 173 173 HIS CA C 173 53.723 53.723 54.919 -1.196 18728 6006 1 6 . 1 1 173 173 HIS CB C 173 31.589 31.589 32.815 -1.226 18728 6007 1 6 . 1 1 173 173 HIS H H 173 7.657 7.657 7.997 -0.340 18728 6008 1 6 . 1 1 174 174 ASN N N 174 122.936 122.936 122.811 0.125 18728 6009 1 6 . 1 1 174 174 ASN HA H 174 4.794 4.794 4.983 -0.189 18728 6010 1 6 . 1 1 174 174 ASN C C 174 174.918 174.918 175.003 -0.085 18728 6011 1 6 . 1 1 174 174 ASN CA C 174 53.748 53.748 53.476 0.272 18728 6012 1 6 . 1 1 174 174 ASN CB C 174 38.185 38.185 38.454 -0.269 18728 6013 1 6 . 1 1 174 174 ASN H H 174 8.828 8.828 8.631 0.197 18728 6014 1 6 . 1 1 175 175 CYS N N 175 126.425 126.425 124.825 1.600 18728 6015 1 6 . 1 1 175 175 CYS HA H 175 4.872 4.872 4.891 -0.019 18728 6016 1 6 . 1 1 175 175 CYS C C 175 173.853 173.853 173.691 0.162 18728 6017 1 6 . 1 1 175 175 CYS CA C 175 59.380 59.380 56.547 2.833 18728 6018 1 6 . 1 1 175 175 CYS CB C 175 29.966 29.966 31.031 -1.065 18728 6019 1 6 . 1 1 175 175 CYS H H 175 9.078 9.078 9.150 -0.072 18728 6020 1 6 . 1 1 176 176 GLU N N 176 124.488 124.488 121.501 2.987 18728 6021 1 6 . 1 1 176 176 GLU HA H 176 4.661 4.661 4.663 -0.002 18728 6022 1 6 . 1 1 176 176 GLU C C 176 175.343 175.343 175.482 -0.139 18728 6023 1 6 . 1 1 176 176 GLU CA C 176 55.296 55.296 55.200 0.096 18728 6024 1 6 . 1 1 176 176 GLU CB C 176 31.550 31.550 31.377 0.173 18728 6025 1 6 . 1 1 176 176 GLU H H 176 8.161 8.161 9.068 -0.907 18728 6026 1 6 . 1 1 177 177 VAL N N 177 122.521 122.521 119.452 3.069 18728 6027 1 6 . 1 1 177 177 VAL HA H 177 5.628 5.628 5.655 -0.027 18728 6028 1 6 . 1 1 177 177 VAL C C 177 175.720 175.720 174.295 1.425 18728 6029 1 6 . 1 1 177 177 VAL CA C 177 59.713 59.713 58.828 0.885 18728 6030 1 6 . 1 1 177 177 VAL CB C 177 34.523 34.523 36.017 -1.494 18728 6031 1 6 . 1 1 177 177 VAL H H 177 8.684 8.684 8.889 -0.205 18728 6032 1 6 . 1 1 178 178 ARG N N 178 119.915 119.915 118.939 0.976 18728 6033 1 6 . 1 1 178 178 ARG HA H 178 4.746 4.746 4.590 0.156 18728 6034 1 6 . 1 1 178 178 ARG C C 178 175.689 175.689 174.464 1.225 18728 6035 1 6 . 1 1 178 178 ARG CA C 178 54.212 54.212 55.255 -1.043 18728 6036 1 6 . 1 1 178 178 ARG CB C 178 34.184 34.184 32.380 1.804 18728 6037 1 6 . 1 1 178 178 ARG H H 178 8.701 8.701 8.171 0.530 18728 6038 1 6 . 1 1 179 179 LYS N N 179 121.001 121.001 121.110 -0.109 18728 6039 1 6 . 1 1 179 179 LYS HA H 179 4.098 4.098 4.295 -0.198 18728 6040 1 6 . 1 1 179 179 LYS C C 179 176.026 176.026 175.829 0.197 18728 6041 1 6 . 1 1 179 179 LYS CA C 179 59.027 59.027 56.552 2.475 18728 6042 1 6 . 1 1 179 179 LYS CB C 179 33.377 33.377 31.229 2.148 18728 6043 1 6 . 1 1 179 179 LYS H H 179 8.990 8.990 8.527 0.463 18728 6044 1 6 . 1 1 180 180 ALA N N 180 126.810 126.810 129.017 -2.207 18728 6045 1 6 . 1 1 180 180 ALA HA H 180 4.565 4.565 4.711 -0.146 18728 6046 1 6 . 1 1 180 180 ALA C C 180 175.318 175.318 175.191 0.127 18728 6047 1 6 . 1 1 180 180 ALA CA C 180 51.432 51.432 50.815 0.618 18728 6048 1 6 . 1 1 180 180 ALA CB C 180 19.201 19.201 22.236 -3.035 18728 6049 1 6 . 1 1 180 180 ALA H H 180 8.378 8.378 8.825 -0.447 18728 6050 1 6 . 1 1 181 181 LEU N N 181 122.300 122.300 119.462 2.838 18728 6051 1 6 . 1 1 181 181 LEU HA H 181 4.401 4.401 4.736 -0.335 18728 6052 1 6 . 1 1 181 181 LEU CA C 181 54.737 54.737 53.034 1.703 18728 6053 1 6 . 1 1 181 181 LEU CB C 181 43.199 43.199 44.833 -1.634 18728 6054 1 6 . 1 1 181 181 LEU H H 181 8.001 8.001 8.548 -0.547 18728 6055 1 6 . 1 1 182 182 SER HA H 182 4.406 4.406 4.371 0.035 18728 6056 1 6 . 1 1 182 182 SER CA C 182 58.100 58.100 57.190 0.910 18728 6057 1 6 . 1 1 182 182 SER CB C 182 64.440 64.440 64.674 -0.234 18728 6058 1 6 . 1 1 183 183 LYS HA H 183 4.101 4.101 3.961 0.140 18728 6059 1 6 . 1 1 183 183 LYS C C 183 177.343 177.343 178.527 -1.184 18728 6060 1 6 . 1 1 183 183 LYS CA C 183 57.744 57.744 59.496 -1.752 18728 6061 1 6 . 1 1 183 183 LYS CB C 183 32.586 32.586 32.329 0.257 18728 6062 1 6 . 1 1 184 184 GLN N N 184 120.056 120.056 117.196 2.860 18728 6063 1 6 . 1 1 184 184 GLN HA H 184 4.167 4.167 4.051 0.116 18728 6064 1 6 . 1 1 184 184 GLN C C 184 176.718 176.718 178.493 -1.775 18728 6065 1 6 . 1 1 184 184 GLN CA C 184 56.981 56.981 58.971 -1.990 18728 6066 1 6 . 1 1 184 184 GLN CB C 184 28.990 28.990 28.442 0.548 18728 6067 1 6 . 1 1 184 184 GLN H H 184 8.320 8.320 8.158 0.162 18728 6068 1 6 . 1 1 185 185 GLU N N 185 121.610 121.610 119.379 2.231 18728 6069 1 6 . 1 1 185 185 GLU HA H 185 4.132 4.132 4.101 0.031 18728 6070 1 6 . 1 1 185 185 GLU C C 185 177.117 177.117 178.923 -1.806 18728 6071 1 6 . 1 1 185 185 GLU CA C 185 57.234 57.234 58.744 -1.510 18728 6072 1 6 . 1 1 185 185 GLU CB C 185 30.235 30.235 29.530 0.705 18728 6073 1 6 . 1 1 185 185 GLU H H 185 8.143 8.143 7.541 0.602 18728 6074 1 6 . 1 1 186 186 MET N N 186 120.092 120.092 117.959 2.133 18728 6075 1 6 . 1 1 186 186 MET HA H 186 4.289 4.289 4.170 0.119 18728 6076 1 6 . 1 1 186 186 MET C C 186 176.438 176.438 178.091 -1.653 18728 6077 1 6 . 1 1 186 186 MET CA C 186 56.069 56.069 58.391 -2.321 18728 6078 1 6 . 1 1 186 186 MET CB C 186 32.847 32.847 32.952 -0.105 18728 6079 1 6 . 1 1 186 186 MET H H 186 8.195 8.195 8.084 0.111 18728 6080 1 6 . 1 1 187 187 ALA N N 187 124.104 124.104 120.106 3.998 18728 6081 1 6 . 1 1 187 187 ALA HA H 187 4.297 4.297 4.317 -0.020 18728 6082 1 6 . 1 1 187 187 ALA C C 187 178.107 178.107 177.161 0.946 18728 6083 1 6 . 1 1 187 187 ALA CA C 187 52.912 52.912 52.611 0.301 18728 6084 1 6 . 1 1 187 187 ALA CB C 187 19.060 19.060 18.606 0.454 18728 6085 1 6 . 1 1 187 187 ALA H H 187 8.060 8.060 8.055 0.005 18728 6086 1 6 . 1 1 188 188 SER N N 188 114.374 114.374 110.347 4.027 18728 6087 1 6 . 1 1 188 188 SER HA H 188 4.357 4.357 4.014 0.343 18728 6088 1 6 . 1 1 188 188 SER C C 188 174.757 174.757 173.364 1.393 18728 6089 1 6 . 1 1 188 188 SER CA C 188 58.598 58.598 59.311 -0.713 18728 6090 1 6 . 1 1 188 188 SER CB C 188 63.734 63.734 62.053 1.681 18728 6091 1 6 . 1 1 188 188 SER H H 188 8.173 8.173 7.458 0.715 18728 6092 1 6 . 1 1 189 189 ALA N N 189 125.637 125.637 123.356 2.281 18728 6093 1 6 . 1 1 189 189 ALA HA H 189 4.246 4.246 4.652 -0.406 18728 6094 1 6 . 1 1 189 189 ALA CA C 189 53.015 53.015 50.751 2.264 18728 6095 1 6 . 1 1 189 189 ALA CB C 189 19.069 19.069 19.844 -0.775 18728 6096 1 6 . 1 1 189 189 ALA H H 189 8.207 8.207 7.934 0.273 18728 6097 1 7 . 1 1 5 5 GLU N N 5 122.509 122.509 124.550 -2.041 18728 6098 1 7 . 1 1 5 5 GLU HA H 5 4.345 4.345 4.528 -0.183 18728 6099 1 7 . 1 1 5 5 GLU C C 5 176.240 176.240 175.487 0.753 18728 6100 1 7 . 1 1 5 5 GLU CA C 5 56.190 56.190 54.787 1.403 18728 6101 1 7 . 1 1 5 5 GLU CB C 5 30.611 30.611 32.017 -1.406 18728 6102 1 7 . 1 1 5 5 GLU H H 5 8.321 8.321 8.001 0.320 18728 6103 1 7 . 1 1 6 6 SER N N 6 118.728 118.728 120.594 -1.866 18728 6104 1 7 . 1 1 6 6 SER HA H 6 4.342 4.342 4.649 -0.307 18728 6105 1 7 . 1 1 6 6 SER CA C 6 56.305 56.305 56.664 -0.359 18728 6106 1 7 . 1 1 6 6 SER CB C 6 63.241 63.241 62.934 0.307 18728 6107 1 7 . 1 1 6 6 SER H H 6 8.349 8.349 8.470 -0.121 18728 6108 1 7 . 1 1 7 7 PRO HA H 7 4.427 4.427 4.572 -0.145 18728 6109 1 7 . 1 1 7 7 PRO C C 7 177.027 177.027 176.788 0.239 18728 6110 1 7 . 1 1 7 7 PRO CA C 7 63.271 63.271 62.235 1.036 18728 6111 1 7 . 1 1 7 7 PRO CB C 7 32.111 32.111 32.567 -0.456 18728 6112 1 7 . 1 1 8 8 LYS N N 8 121.819 121.819 117.413 4.406 18728 6113 1 7 . 1 1 8 8 LYS HA H 8 4.290 4.290 4.223 0.067 18728 6114 1 7 . 1 1 8 8 LYS C C 8 177.015 177.015 176.848 0.167 18728 6115 1 7 . 1 1 8 8 LYS CA C 8 56.455 56.455 57.030 -0.575 18728 6116 1 7 . 1 1 8 8 LYS CB C 8 33.341 33.341 32.131 1.210 18728 6117 1 7 . 1 1 8 8 LYS H H 8 8.445 8.445 8.491 -0.046 18728 6118 1 7 . 1 1 9 9 GLU N N 9 121.243 121.243 121.173 0.070 18728 6119 1 7 . 1 1 9 9 GLU HA H 9 4.606 4.606 4.604 0.002 18728 6120 1 7 . 1 1 9 9 GLU CA C 9 54.480 54.480 53.962 0.518 18728 6121 1 7 . 1 1 9 9 GLU CB C 9 29.572 29.572 29.537 0.035 18728 6122 1 7 . 1 1 9 9 GLU H H 9 8.313 8.313 8.056 0.257 18728 6123 1 7 . 1 1 10 10 PRO HA H 10 4.335 4.335 4.395 -0.060 18728 6124 1 7 . 1 1 10 10 PRO C C 10 177.491 177.491 177.945 -0.454 18728 6125 1 7 . 1 1 10 10 PRO CA C 10 63.587 63.587 62.691 0.896 18728 6126 1 7 . 1 1 10 10 PRO CB C 10 32.374 32.374 32.687 -0.312 18728 6127 1 7 . 1 1 11 11 GLU N N 11 123.071 123.071 121.361 1.710 18728 6128 1 7 . 1 1 11 11 GLU HA H 11 3.686 3.686 3.893 -0.207 18728 6129 1 7 . 1 1 11 11 GLU C C 11 177.984 177.984 178.268 -0.284 18728 6130 1 7 . 1 1 11 11 GLU CA C 11 59.651 59.651 60.321 -0.670 18728 6131 1 7 . 1 1 11 11 GLU CB C 11 29.819 29.819 28.577 1.242 18728 6132 1 7 . 1 1 11 11 GLU H H 11 8.692 8.692 8.904 -0.212 18728 6133 1 7 . 1 1 12 12 GLN N N 12 116.079 116.079 115.300 0.779 18728 6134 1 7 . 1 1 12 12 GLN HA H 12 3.979 3.979 4.096 -0.117 18728 6135 1 7 . 1 1 12 12 GLN C C 12 177.579 177.579 177.256 0.323 18728 6136 1 7 . 1 1 12 12 GLN CA C 12 58.526 58.526 58.332 0.194 18728 6137 1 7 . 1 1 12 12 GLN CB C 12 28.112 28.112 28.213 -0.101 18728 6138 1 7 . 1 1 12 12 GLN H H 12 8.647 8.647 8.361 0.286 18728 6139 1 7 . 1 1 13 13 LEU N N 13 116.530 116.530 118.390 -1.860 18728 6140 1 7 . 1 1 13 13 LEU HA H 13 4.264 4.264 4.289 -0.025 18728 6141 1 7 . 1 1 13 13 LEU C C 13 177.080 177.080 179.309 -2.229 18728 6142 1 7 . 1 1 13 13 LEU CA C 13 55.945 55.945 57.010 -1.065 18728 6143 1 7 . 1 1 13 13 LEU CB C 13 42.317 42.317 42.506 -0.189 18728 6144 1 7 . 1 1 13 13 LEU H H 13 7.471 7.471 7.724 -0.253 18728 6145 1 7 . 1 1 14 14 ARG N N 14 116.981 116.981 116.501 0.480 18728 6146 1 7 . 1 1 14 14 ARG HA H 14 4.417 4.417 4.261 0.156 18728 6147 1 7 . 1 1 14 14 ARG C C 14 172.996 172.996 176.065 -3.069 18728 6148 1 7 . 1 1 14 14 ARG CA C 14 56.067 56.067 57.112 -1.045 18728 6149 1 7 . 1 1 14 14 ARG CB C 14 29.944 29.944 29.720 0.224 18728 6150 1 7 . 1 1 14 14 ARG H H 14 7.576 7.576 8.109 -0.533 18728 6151 1 7 . 1 1 15 15 LYS N N 15 119.990 119.990 121.236 -1.246 18728 6152 1 7 . 1 1 15 15 LYS HA H 15 5.198 5.198 5.170 0.028 18728 6153 1 7 . 1 1 15 15 LYS CA C 15 55.301 55.301 55.511 -0.211 18728 6154 1 7 . 1 1 15 15 LYS CB C 15 35.888 35.888 35.062 0.827 18728 6155 1 7 . 1 1 15 15 LYS H H 15 6.946 6.946 7.504 -0.558 18728 6156 1 7 . 1 1 16 16 LEU N N 16 126.081 126.081 123.800 2.281 18728 6157 1 7 . 1 1 16 16 LEU HA H 16 5.016 5.016 5.308 -0.292 18728 6158 1 7 . 1 1 16 16 LEU C C 16 176.309 176.309 175.574 0.735 18728 6159 1 7 . 1 1 16 16 LEU CA C 16 53.334 53.334 53.102 0.232 18728 6160 1 7 . 1 1 16 16 LEU CB C 16 45.062 45.062 45.589 -0.527 18728 6161 1 7 . 1 1 16 16 LEU H H 16 9.605 9.605 9.097 0.508 18728 6162 1 7 . 1 1 17 17 PHE N N 17 123.569 123.569 124.845 -1.276 18728 6163 1 7 . 1 1 17 17 PHE HA H 17 4.585 4.585 5.186 -0.601 18728 6164 1 7 . 1 1 17 17 PHE C C 17 174.362 174.362 174.031 0.331 18728 6165 1 7 . 1 1 17 17 PHE CA C 17 57.153 57.153 55.957 1.196 18728 6166 1 7 . 1 1 17 17 PHE CB C 17 40.603 40.603 41.099 -0.496 18728 6167 1 7 . 1 1 17 17 PHE H H 17 9.023 9.023 9.349 -0.326 18728 6168 1 7 . 1 1 18 18 ILE N N 18 126.932 126.932 128.298 -1.366 18728 6169 1 7 . 1 1 18 18 ILE HA H 18 4.029 4.029 4.276 -0.247 18728 6170 1 7 . 1 1 18 18 ILE C C 18 173.832 173.832 174.826 -0.994 18728 6171 1 7 . 1 1 18 18 ILE CA C 18 59.156 59.156 57.937 1.219 18728 6172 1 7 . 1 1 18 18 ILE CB C 18 36.909 36.909 36.692 0.217 18728 6173 1 7 . 1 1 18 18 ILE H H 18 8.486 8.486 8.662 -0.176 18728 6174 1 7 . 1 1 19 19 GLY N N 19 112.953 112.953 112.523 0.430 18728 6175 1 7 . 1 1 19 19 GLY C C 19 174.426 174.426 173.770 0.656 18728 6176 1 7 . 1 1 19 19 GLY CA C 19 43.611 43.611 43.017 0.593 18728 6177 1 7 . 1 1 19 19 GLY H H 19 7.948 7.948 8.622 -0.674 18728 6178 1 7 . 1 1 20 20 GLY N N 20 107.584 107.584 110.001 -2.417 18728 6179 1 7 . 1 1 20 20 GLY C C 20 175.563 175.563 174.370 1.193 18728 6180 1 7 . 1 1 20 20 GLY CA C 20 46.530 46.530 45.144 1.386 18728 6181 1 7 . 1 1 20 20 GLY H H 20 8.542 8.542 8.069 0.473 18728 6182 1 7 . 1 1 21 21 LEU N N 21 115.232 115.232 120.146 -4.914 18728 6183 1 7 . 1 1 21 21 LEU HA H 21 4.025 4.025 4.182 -0.157 18728 6184 1 7 . 1 1 21 21 LEU C C 21 179.121 179.121 176.506 2.615 18728 6185 1 7 . 1 1 21 21 LEU CA C 21 54.192 54.192 54.176 0.016 18728 6186 1 7 . 1 1 21 21 LEU CB C 21 42.892 42.892 42.670 0.221 18728 6187 1 7 . 1 1 21 21 LEU H H 21 7.472 7.472 7.903 -0.431 18728 6188 1 7 . 1 1 22 22 SER N N 22 114.737 114.737 113.574 1.163 18728 6189 1 7 . 1 1 22 22 SER HA H 22 4.125 4.125 4.389 -0.264 18728 6190 1 7 . 1 1 22 22 SER C C 22 177.842 177.842 175.650 2.192 18728 6191 1 7 . 1 1 22 22 SER CA C 22 57.635 57.635 57.234 0.401 18728 6192 1 7 . 1 1 22 22 SER CB C 22 63.106 63.106 64.908 -1.802 18728 6193 1 7 . 1 1 22 22 SER H H 22 9.136 9.136 7.942 1.194 18728 6194 1 7 . 1 1 23 23 PHE N N 23 128.194 128.194 118.393 9.801 18728 6195 1 7 . 1 1 23 23 PHE HA H 23 4.307 4.307 4.687 -0.380 18728 6196 1 7 . 1 1 23 23 PHE C C 23 175.626 175.626 176.772 -1.146 18728 6197 1 7 . 1 1 23 23 PHE CA C 23 60.205 60.205 59.913 0.292 18728 6198 1 7 . 1 1 23 23 PHE CB C 23 37.570 37.570 38.961 -1.391 18728 6199 1 7 . 1 1 23 23 PHE H H 23 9.034 9.034 8.883 0.151 18728 6200 1 7 . 1 1 24 24 GLU N N 24 116.093 116.093 116.904 -0.811 18728 6201 1 7 . 1 1 24 24 GLU HA H 24 4.255 4.255 4.482 -0.227 18728 6202 1 7 . 1 1 24 24 GLU C C 24 177.429 177.429 176.208 1.221 18728 6203 1 7 . 1 1 24 24 GLU CA C 24 56.522 56.522 55.432 1.090 18728 6204 1 7 . 1 1 24 24 GLU CB C 24 29.980 29.980 29.745 0.234 18728 6205 1 7 . 1 1 24 24 GLU H H 24 8.295 8.295 8.483 -0.188 18728 6206 1 7 . 1 1 25 25 THR N N 25 118.836 118.836 117.075 1.761 18728 6207 1 7 . 1 1 25 25 THR HA H 25 4.091 4.091 4.244 -0.153 18728 6208 1 7 . 1 1 25 25 THR C C 25 174.238 174.238 174.834 -0.596 18728 6209 1 7 . 1 1 25 25 THR CA C 25 64.862 64.862 64.367 0.495 18728 6210 1 7 . 1 1 25 25 THR CB C 25 68.584 68.584 69.349 -0.765 18728 6211 1 7 . 1 1 25 25 THR H H 25 7.280 7.280 7.323 -0.043 18728 6212 1 7 . 1 1 26 26 THR N N 26 119.434 119.434 116.524 2.910 18728 6213 1 7 . 1 1 26 26 THR HA H 26 4.484 4.484 4.672 -0.188 18728 6214 1 7 . 1 1 26 26 THR C C 26 174.563 174.563 174.691 -0.128 18728 6215 1 7 . 1 1 26 26 THR CA C 26 59.361 59.361 59.007 0.354 18728 6216 1 7 . 1 1 26 26 THR CB C 26 72.727 72.727 72.511 0.216 18728 6217 1 7 . 1 1 26 26 THR H H 26 8.447 8.447 8.441 0.006 18728 6218 1 7 . 1 1 27 27 ASP N N 27 120.342 120.342 119.899 0.443 18728 6219 1 7 . 1 1 27 27 ASP HA H 27 3.920 3.920 4.334 -0.414 18728 6220 1 7 . 1 1 27 27 ASP C C 27 178.347 178.347 177.697 0.650 18728 6221 1 7 . 1 1 27 27 ASP CA C 27 58.148 58.148 56.789 1.359 18728 6222 1 7 . 1 1 27 27 ASP CB C 27 39.954 39.954 40.541 -0.587 18728 6223 1 7 . 1 1 27 27 ASP H H 27 8.794 8.794 8.751 0.043 18728 6224 1 7 . 1 1 28 28 GLU N N 28 116.494 116.494 118.725 -2.231 18728 6225 1 7 . 1 1 28 28 GLU HA H 28 3.993 3.993 4.207 -0.214 18728 6226 1 7 . 1 1 28 28 GLU C C 28 178.987 178.987 178.556 0.431 18728 6227 1 7 . 1 1 28 28 GLU CA C 28 60.281 60.281 59.033 1.248 18728 6228 1 7 . 1 1 28 28 GLU CB C 28 29.193 29.193 28.682 0.511 18728 6229 1 7 . 1 1 28 28 GLU H H 28 8.444 8.444 8.919 -0.475 18728 6230 1 7 . 1 1 29 29 SER N N 29 120.532 120.532 116.666 3.866 18728 6231 1 7 . 1 1 29 29 SER HA H 29 4.333 4.333 4.323 0.010 18728 6232 1 7 . 1 1 29 29 SER C C 29 178.125 178.125 176.791 1.334 18728 6233 1 7 . 1 1 29 29 SER CA C 29 61.720 61.720 61.095 0.625 18728 6234 1 7 . 1 1 29 29 SER H H 29 8.384 8.384 7.683 0.701 18728 6235 1 7 . 1 1 30 30 LEU N N 30 126.754 126.754 124.375 2.379 18728 6236 1 7 . 1 1 30 30 LEU HA H 30 4.080 4.080 4.214 -0.134 18728 6237 1 7 . 1 1 30 30 LEU C C 30 178.341 178.341 177.908 0.433 18728 6238 1 7 . 1 1 30 30 LEU CA C 30 58.073 58.073 57.739 0.335 18728 6239 1 7 . 1 1 30 30 LEU CB C 30 42.524 42.524 41.702 0.822 18728 6240 1 7 . 1 1 30 30 LEU H H 30 8.487 8.487 8.178 0.309 18728 6241 1 7 . 1 1 31 31 ARG N N 31 121.192 121.192 119.265 1.927 18728 6242 1 7 . 1 1 31 31 ARG HA H 31 3.863 3.863 3.855 0.008 18728 6243 1 7 . 1 1 31 31 ARG C C 31 177.765 177.765 178.293 -0.528 18728 6244 1 7 . 1 1 31 31 ARG CA C 31 59.706 59.706 60.297 -0.591 18728 6245 1 7 . 1 1 31 31 ARG CB C 31 30.648 30.648 29.993 0.655 18728 6246 1 7 . 1 1 31 31 ARG H H 31 7.980 7.980 8.298 -0.318 18728 6247 1 7 . 1 1 32 32 SER N N 32 112.868 112.868 112.252 0.616 18728 6248 1 7 . 1 1 32 32 SER HA H 32 4.104 4.104 4.242 -0.138 18728 6249 1 7 . 1 1 32 32 SER C C 32 176.416 176.416 176.182 0.234 18728 6250 1 7 . 1 1 32 32 SER CA C 32 61.437 61.437 61.290 0.147 18728 6251 1 7 . 1 1 32 32 SER CB C 32 62.933 62.933 63.125 -0.192 18728 6252 1 7 . 1 1 32 32 SER H H 32 8.295 8.295 8.155 0.140 18728 6253 1 7 . 1 1 33 33 HIS N N 33 115.910 115.910 121.258 -5.348 18728 6254 1 7 . 1 1 33 33 HIS HA H 33 4.346 4.346 4.385 -0.039 18728 6255 1 7 . 1 1 33 33 HIS C C 33 177.510 177.510 177.730 -0.220 18728 6256 1 7 . 1 1 33 33 HIS CA C 33 60.373 60.373 59.816 0.557 18728 6257 1 7 . 1 1 33 33 HIS CB C 33 30.776 30.776 30.127 0.649 18728 6258 1 7 . 1 1 33 33 HIS H H 33 7.406 7.406 7.601 -0.195 18728 6259 1 7 . 1 1 34 34 PHE N N 34 113.562 113.562 119.275 -5.713 18728 6260 1 7 . 1 1 34 34 PHE HA H 34 4.526 4.526 4.815 -0.289 18728 6261 1 7 . 1 1 34 34 PHE C C 34 179.061 179.061 178.349 0.712 18728 6262 1 7 . 1 1 34 34 PHE CA C 34 64.104 64.104 62.090 2.014 18728 6263 1 7 . 1 1 34 34 PHE CB C 34 38.379 38.379 39.243 -0.864 18728 6264 1 7 . 1 1 34 34 PHE H H 34 8.227 8.227 8.615 -0.388 18728 6265 1 7 . 1 1 35 35 GLU N N 35 124.490 124.490 120.307 4.183 18728 6266 1 7 . 1 1 35 35 GLU HA H 35 4.962 4.962 4.561 0.401 18728 6267 1 7 . 1 1 35 35 GLU C C 35 176.476 176.476 177.633 -1.157 18728 6268 1 7 . 1 1 35 35 GLU CA C 35 57.950 57.950 58.124 -0.174 18728 6269 1 7 . 1 1 35 35 GLU CB C 35 28.690 28.690 29.368 -0.678 18728 6270 1 7 . 1 1 35 35 GLU H H 35 9.219 9.219 8.658 0.561 18728 6271 1 7 . 1 1 36 36 GLN N N 36 116.596 116.596 117.329 -0.733 18728 6272 1 7 . 1 1 36 36 GLN HA H 36 3.706 3.706 3.979 -0.273 18728 6273 1 7 . 1 1 36 36 GLN C C 36 176.486 176.486 177.268 -0.782 18728 6274 1 7 . 1 1 36 36 GLN CA C 36 58.206 58.206 57.718 0.488 18728 6275 1 7 . 1 1 36 36 GLN CB C 36 27.731 27.731 28.318 -0.587 18728 6276 1 7 . 1 1 36 36 GLN H H 36 7.011 7.011 7.567 -0.556 18728 6277 1 7 . 1 1 37 37 TRP N N 37 114.690 114.690 117.297 -2.607 18728 6278 1 7 . 1 1 37 37 TRP HA H 37 4.481 4.481 4.875 -0.394 18728 6279 1 7 . 1 1 37 37 TRP C C 37 173.662 173.662 176.320 -2.658 18728 6280 1 7 . 1 1 37 37 TRP CA C 37 61.557 61.557 58.376 3.181 18728 6281 1 7 . 1 1 37 37 TRP CB C 37 29.074 29.074 31.437 -2.363 18728 6282 1 7 . 1 1 37 37 TRP H H 37 7.017 7.017 7.867 -0.850 18728 6283 1 7 . 1 1 38 38 GLY N N 38 105.060 105.060 104.572 0.488 18728 6284 1 7 . 1 1 38 38 GLY C C 38 171.596 171.596 172.737 -1.141 18728 6285 1 7 . 1 1 38 38 GLY CA C 38 45.545 45.545 45.535 0.010 18728 6286 1 7 . 1 1 38 38 GLY H H 38 7.294 7.294 7.727 -0.433 18728 6287 1 7 . 1 1 39 39 THR N N 39 117.179 117.179 119.233 -2.054 18728 6288 1 7 . 1 1 39 39 THR HA H 39 4.231 4.231 4.355 -0.124 18728 6289 1 7 . 1 1 39 39 THR C C 39 173.760 173.760 174.079 -0.319 18728 6290 1 7 . 1 1 39 39 THR CA C 39 62.904 62.904 64.263 -1.359 18728 6291 1 7 . 1 1 39 39 THR CB C 39 69.813 69.813 69.078 0.736 18728 6292 1 7 . 1 1 39 39 THR H H 39 8.770 8.770 9.006 -0.236 18728 6293 1 7 . 1 1 40 40 LEU N N 40 126.702 126.702 129.217 -2.515 18728 6294 1 7 . 1 1 40 40 LEU HA H 40 4.943 4.943 4.663 0.280 18728 6295 1 7 . 1 1 40 40 LEU C C 40 178.358 178.358 178.190 0.168 18728 6296 1 7 . 1 1 40 40 LEU CA C 40 52.969 52.969 54.277 -1.308 18728 6297 1 7 . 1 1 40 40 LEU CB C 40 41.893 41.893 42.407 -0.514 18728 6298 1 7 . 1 1 40 40 LEU H H 40 8.831 8.831 8.713 0.118 18728 6299 1 7 . 1 1 41 41 THR N N 41 117.175 117.175 114.404 2.771 18728 6300 1 7 . 1 1 41 41 THR HA H 41 4.197 4.197 4.309 -0.112 18728 6301 1 7 . 1 1 41 41 THR C C 41 175.050 175.050 175.014 0.036 18728 6302 1 7 . 1 1 41 41 THR CA C 41 62.668 62.668 62.861 -0.193 18728 6303 1 7 . 1 1 41 41 THR CB C 41 67.618 67.618 69.816 -2.198 18728 6304 1 7 . 1 1 41 41 THR H H 41 8.926 8.926 9.035 -0.109 18728 6305 1 7 . 1 1 42 42 ASP N N 42 118.764 118.764 120.167 -1.403 18728 6306 1 7 . 1 1 42 42 ASP HA H 42 4.620 4.620 4.862 -0.242 18728 6307 1 7 . 1 1 42 42 ASP C C 42 174.637 174.637 173.698 0.939 18728 6308 1 7 . 1 1 42 42 ASP CA C 42 54.235 54.235 54.098 0.137 18728 6309 1 7 . 1 1 42 42 ASP CB C 42 44.253 44.253 44.333 -0.080 18728 6310 1 7 . 1 1 42 42 ASP H H 42 7.513 7.513 7.746 -0.233 18728 6311 1 7 . 1 1 43 43 CYS N N 43 123.632 123.632 123.118 0.514 18728 6312 1 7 . 1 1 43 43 CYS HA H 43 4.842 4.842 5.328 -0.486 18728 6313 1 7 . 1 1 43 43 CYS C C 43 171.885 171.885 172.323 -0.438 18728 6314 1 7 . 1 1 43 43 CYS CA C 43 59.376 59.376 58.281 1.095 18728 6315 1 7 . 1 1 43 43 CYS CB C 43 26.377 26.377 30.540 -4.163 18728 6316 1 7 . 1 1 43 43 CYS H H 43 8.436 8.436 8.507 -0.071 18728 6317 1 7 . 1 1 44 44 VAL N N 44 126.787 126.787 127.539 -0.752 18728 6318 1 7 . 1 1 44 44 VAL HA H 44 4.576 4.576 4.468 0.108 18728 6319 1 7 . 1 1 44 44 VAL C C 44 173.371 173.371 173.578 -0.207 18728 6320 1 7 . 1 1 44 44 VAL CA C 44 60.151 60.151 61.279 -1.128 18728 6321 1 7 . 1 1 44 44 VAL CB C 44 36.424 36.424 35.712 0.712 18728 6322 1 7 . 1 1 44 44 VAL H H 44 8.737 8.737 8.898 -0.161 18728 6323 1 7 . 1 1 45 45 VAL N N 45 125.522 125.522 128.122 -2.600 18728 6324 1 7 . 1 1 45 45 VAL HA H 45 3.711 3.711 3.980 -0.269 18728 6325 1 7 . 1 1 45 45 VAL C C 45 176.674 176.674 174.549 2.125 18728 6326 1 7 . 1 1 45 45 VAL CA C 45 62.509 62.509 61.978 0.530 18728 6327 1 7 . 1 1 45 45 VAL CB C 45 33.175 33.175 33.223 -0.048 18728 6328 1 7 . 1 1 45 45 VAL H H 45 8.269 8.269 8.419 -0.150 18728 6329 1 7 . 1 1 46 46 MET N N 46 126.833 126.833 125.751 1.082 18728 6330 1 7 . 1 1 46 46 MET HA H 46 4.441 4.441 4.390 0.051 18728 6331 1 7 . 1 1 46 46 MET C C 46 175.413 175.413 175.094 0.319 18728 6332 1 7 . 1 1 46 46 MET CA C 46 54.852 54.852 55.428 -0.576 18728 6333 1 7 . 1 1 46 46 MET CB C 46 30.454 30.454 32.000 -1.546 18728 6334 1 7 . 1 1 46 46 MET H H 46 8.445 8.445 8.247 0.198 18728 6335 1 7 . 1 1 47 47 ARG N N 47 120.697 120.697 120.501 0.196 18728 6336 1 7 . 1 1 47 47 ARG HA H 47 4.838 4.838 5.045 -0.207 18728 6337 1 7 . 1 1 47 47 ARG CA C 47 54.308 54.308 54.684 -0.376 18728 6338 1 7 . 1 1 47 47 ARG CB C 47 34.048 34.048 34.886 -0.838 18728 6339 1 7 . 1 1 47 47 ARG H H 47 8.308 8.308 8.127 0.181 18728 6340 1 7 . 1 1 48 48 ASP N N 48 125.146 125.146 122.723 2.423 18728 6341 1 7 . 1 1 48 48 ASP HA H 48 4.686 4.686 4.830 -0.144 18728 6342 1 7 . 1 1 48 48 ASP C C 48 176.046 176.046 175.755 0.291 18728 6343 1 7 . 1 1 48 48 ASP CA C 48 52.106 52.106 52.132 -0.026 18728 6344 1 7 . 1 1 48 48 ASP CB C 48 42.878 42.878 42.386 0.492 18728 6345 1 7 . 1 1 48 48 ASP H H 48 8.577 8.577 8.841 -0.264 18728 6346 1 7 . 1 1 49 49 PRO HA H 49 4.310 4.310 4.505 -0.195 18728 6347 1 7 . 1 1 49 49 PRO C C 49 177.166 177.166 176.519 0.647 18728 6348 1 7 . 1 1 49 49 PRO CA C 49 64.584 64.584 64.759 -0.175 18728 6349 1 7 . 1 1 49 49 PRO CB C 49 32.136 32.136 31.974 0.162 18728 6350 1 7 . 1 1 50 50 ASN N N 50 115.474 115.474 116.365 -0.891 18728 6351 1 7 . 1 1 50 50 ASN HA H 50 4.723 4.723 4.652 0.071 18728 6352 1 7 . 1 1 50 50 ASN C C 50 176.642 176.642 176.764 -0.122 18728 6353 1 7 . 1 1 50 50 ASN CA C 50 55.444 55.444 54.758 0.686 18728 6354 1 7 . 1 1 50 50 ASN CB C 50 39.455 39.455 39.243 0.212 18728 6355 1 7 . 1 1 50 50 ASN H H 50 8.560 8.560 8.602 -0.042 18728 6356 1 7 . 1 1 51 51 THR N N 51 108.788 108.788 113.288 -4.500 18728 6357 1 7 . 1 1 51 51 THR HA H 51 4.264 4.264 4.547 -0.283 18728 6358 1 7 . 1 1 51 51 THR C C 51 176.018 176.018 173.704 2.314 18728 6359 1 7 . 1 1 51 51 THR CA C 51 62.063 62.063 62.665 -0.602 18728 6360 1 7 . 1 1 51 51 THR CB C 51 70.768 70.768 70.080 0.688 18728 6361 1 7 . 1 1 51 51 THR H H 51 8.277 8.277 8.975 -0.698 18728 6362 1 7 . 1 1 52 52 LYS N N 52 114.615 114.615 117.535 -2.920 18728 6363 1 7 . 1 1 52 52 LYS HA H 52 3.917 3.917 4.165 -0.248 18728 6364 1 7 . 1 1 52 52 LYS C C 52 175.376 175.376 175.237 0.139 18728 6365 1 7 . 1 1 52 52 LYS CA C 52 57.902 57.902 56.862 1.040 18728 6366 1 7 . 1 1 52 52 LYS CB C 52 29.293 29.293 30.300 -1.007 18728 6367 1 7 . 1 1 52 52 LYS H H 52 8.091 8.091 7.702 0.389 18728 6368 1 7 . 1 1 53 53 ARG N N 53 120.395 120.395 117.179 3.216 18728 6369 1 7 . 1 1 53 53 ARG HA H 53 4.169 4.169 4.503 -0.334 18728 6370 1 7 . 1 1 53 53 ARG C C 53 176.619 176.619 176.260 0.359 18728 6371 1 7 . 1 1 53 53 ARG CA C 53 56.233 56.233 53.577 2.656 18728 6372 1 7 . 1 1 53 53 ARG CB C 53 31.045 31.045 31.682 -0.637 18728 6373 1 7 . 1 1 53 53 ARG H H 53 7.847 7.847 7.756 0.091 18728 6374 1 7 . 1 1 54 54 SER N N 54 116.987 116.987 115.941 1.046 18728 6375 1 7 . 1 1 54 54 SER HA H 54 4.186 4.186 4.502 -0.316 18728 6376 1 7 . 1 1 54 54 SER C C 54 175.755 175.755 175.852 -0.097 18728 6377 1 7 . 1 1 54 54 SER CA C 54 58.559 58.559 58.849 -0.290 18728 6378 1 7 . 1 1 54 54 SER CB C 54 63.922 63.922 63.866 0.056 18728 6379 1 7 . 1 1 54 54 SER H H 54 8.810 8.810 8.204 0.606 18728 6380 1 7 . 1 1 55 55 ARG N N 55 123.427 123.427 127.598 -4.171 18728 6381 1 7 . 1 1 55 55 ARG HA H 55 4.403 4.403 4.360 0.043 18728 6382 1 7 . 1 1 55 55 ARG C C 55 177.962 177.962 176.799 1.163 18728 6383 1 7 . 1 1 55 55 ARG CA C 55 56.096 56.096 56.038 0.058 18728 6384 1 7 . 1 1 55 55 ARG CB C 55 31.294 31.294 30.368 0.926 18728 6385 1 7 . 1 1 55 55 ARG H H 55 8.976 8.976 8.931 0.045 18728 6386 1 7 . 1 1 56 56 GLY N N 56 107.308 107.308 106.833 0.475 18728 6387 1 7 . 1 1 56 56 GLY C C 56 171.856 171.856 173.353 -1.497 18728 6388 1 7 . 1 1 56 56 GLY CA C 56 45.669 45.669 45.011 0.658 18728 6389 1 7 . 1 1 56 56 GLY H H 56 9.375 9.375 7.980 1.395 18728 6390 1 7 . 1 1 57 57 PHE N N 57 112.537 112.537 114.919 -2.382 18728 6391 1 7 . 1 1 57 57 PHE HA H 57 5.201 5.201 5.343 -0.142 18728 6392 1 7 . 1 1 57 57 PHE C C 57 172.646 172.646 173.014 -0.368 18728 6393 1 7 . 1 1 57 57 PHE CA C 57 54.918 54.918 55.052 -0.134 18728 6394 1 7 . 1 1 57 57 PHE CB C 57 41.743 41.743 40.891 0.852 18728 6395 1 7 . 1 1 57 57 PHE H H 57 7.044 7.044 7.058 -0.014 18728 6396 1 7 . 1 1 58 58 GLY N N 58 106.816 106.816 106.455 0.361 18728 6397 1 7 . 1 1 58 58 GLY C C 58 169.931 169.931 171.062 -1.131 18728 6398 1 7 . 1 1 58 58 GLY CA C 58 45.304 45.304 44.426 0.878 18728 6399 1 7 . 1 1 58 58 GLY H H 58 8.345 8.345 8.400 -0.055 18728 6400 1 7 . 1 1 59 59 PHE N N 59 115.179 115.179 115.674 -0.495 18728 6401 1 7 . 1 1 59 59 PHE HA H 59 5.645 5.645 5.582 0.063 18728 6402 1 7 . 1 1 59 59 PHE C C 59 174.929 174.929 174.321 0.608 18728 6403 1 7 . 1 1 59 59 PHE CA C 59 56.541 56.541 56.225 0.316 18728 6404 1 7 . 1 1 59 59 PHE CB C 59 43.984 43.984 43.784 0.200 18728 6405 1 7 . 1 1 59 59 PHE H H 59 8.903 8.903 8.296 0.607 18728 6406 1 7 . 1 1 60 60 VAL N N 60 115.310 115.310 116.462 -1.152 18728 6407 1 7 . 1 1 60 60 VAL HA H 60 4.540 4.540 4.831 -0.291 18728 6408 1 7 . 1 1 60 60 VAL C C 60 173.246 173.246 174.716 -1.470 18728 6409 1 7 . 1 1 60 60 VAL CA C 60 59.421 59.421 60.026 -0.605 18728 6410 1 7 . 1 1 60 60 VAL CB C 60 34.678 34.678 33.642 1.036 18728 6411 1 7 . 1 1 60 60 VAL H H 60 8.569 8.569 9.009 -0.440 18728 6412 1 7 . 1 1 61 61 THR N N 61 120.158 120.158 123.504 -3.346 18728 6413 1 7 . 1 1 61 61 THR HA H 61 5.068 5.068 4.733 0.335 18728 6414 1 7 . 1 1 61 61 THR C C 61 173.985 173.985 173.882 0.103 18728 6415 1 7 . 1 1 61 61 THR CA C 61 61.033 61.033 62.034 -1.001 18728 6416 1 7 . 1 1 61 61 THR CB C 61 70.114 70.114 69.649 0.465 18728 6417 1 7 . 1 1 61 61 THR H H 61 8.180 8.180 8.987 -0.807 18728 6418 1 7 . 1 1 62 62 TYR N N 62 125.280 125.280 126.718 -1.438 18728 6419 1 7 . 1 1 62 62 TYR HA H 62 5.357 5.357 4.880 0.477 18728 6420 1 7 . 1 1 62 62 TYR C C 62 176.696 176.696 176.675 0.021 18728 6421 1 7 . 1 1 62 62 TYR CA C 62 58.297 58.297 58.769 -0.472 18728 6422 1 7 . 1 1 62 62 TYR CB C 62 42.217 42.217 40.250 1.967 18728 6423 1 7 . 1 1 62 62 TYR H H 62 8.407 8.407 9.029 -0.622 18728 6424 1 7 . 1 1 63 63 ALA N N 63 121.648 121.648 123.651 -2.003 18728 6425 1 7 . 1 1 63 63 ALA HA H 63 4.052 4.052 4.408 -0.356 18728 6426 1 7 . 1 1 63 63 ALA C C 63 178.252 178.252 177.029 1.223 18728 6427 1 7 . 1 1 63 63 ALA CA C 63 55.269 55.269 54.412 0.857 18728 6428 1 7 . 1 1 63 63 ALA CB C 63 19.068 19.068 19.634 -0.566 18728 6429 1 7 . 1 1 63 63 ALA H H 63 8.749 8.749 8.825 -0.076 18728 6430 1 7 . 1 1 64 64 THR N N 64 105.238 105.238 112.075 -6.837 18728 6431 1 7 . 1 1 64 64 THR HA H 64 4.902 4.902 4.728 0.174 18728 6432 1 7 . 1 1 64 64 THR C C 64 174.667 174.667 174.928 -0.261 18728 6433 1 7 . 1 1 64 64 THR CA C 64 59.184 59.184 60.702 -1.518 18728 6434 1 7 . 1 1 64 64 THR CB C 64 73.193 73.193 72.266 0.927 18728 6435 1 7 . 1 1 64 64 THR H H 64 7.992 7.992 8.011 -0.019 18728 6436 1 7 . 1 1 65 65 VAL N N 65 120.939 120.939 125.764 -4.825 18728 6437 1 7 . 1 1 65 65 VAL HA H 65 3.670 3.670 3.706 -0.036 18728 6438 1 7 . 1 1 65 65 VAL C C 65 177.446 177.446 177.234 0.212 18728 6439 1 7 . 1 1 65 65 VAL CA C 65 65.535 65.535 66.065 -0.530 18728 6440 1 7 . 1 1 65 65 VAL CB C 65 31.538 31.538 31.828 -0.290 18728 6441 1 7 . 1 1 65 65 VAL H H 65 8.968 8.968 8.827 0.141 18728 6442 1 7 . 1 1 66 66 GLU N N 66 120.818 120.818 118.204 2.614 18728 6443 1 7 . 1 1 66 66 GLU HA H 66 4.045 4.045 3.937 0.108 18728 6444 1 7 . 1 1 66 66 GLU C C 66 180.056 180.056 178.746 1.310 18728 6445 1 7 . 1 1 66 66 GLU CA C 66 60.430 60.430 60.390 0.040 18728 6446 1 7 . 1 1 66 66 GLU CB C 66 28.909 28.909 29.020 -0.111 18728 6447 1 7 . 1 1 66 66 GLU H H 66 8.686 8.686 8.965 -0.279 18728 6448 1 7 . 1 1 67 67 GLU N N 67 120.729 120.729 117.511 3.218 18728 6449 1 7 . 1 1 67 67 GLU HA H 67 3.853 3.853 4.066 -0.213 18728 6450 1 7 . 1 1 67 67 GLU C C 67 177.040 177.040 178.331 -1.291 18728 6451 1 7 . 1 1 67 67 GLU CA C 67 59.391 59.391 58.556 0.835 18728 6452 1 7 . 1 1 67 67 GLU CB C 67 29.590 29.590 29.507 0.083 18728 6453 1 7 . 1 1 67 67 GLU H H 67 7.487 7.487 7.528 -0.041 18728 6454 1 7 . 1 1 68 68 VAL N N 68 118.408 118.408 119.416 -1.008 18728 6455 1 7 . 1 1 68 68 VAL HA H 68 3.165 3.165 3.187 -0.022 18728 6456 1 7 . 1 1 68 68 VAL C C 68 178.293 178.293 177.429 0.864 18728 6457 1 7 . 1 1 68 68 VAL CA C 68 66.391 66.391 66.279 0.111 18728 6458 1 7 . 1 1 68 68 VAL CB C 68 31.092 31.092 31.813 -0.721 18728 6459 1 7 . 1 1 68 68 VAL H H 68 6.882 6.882 7.063 -0.181 18728 6460 1 7 . 1 1 69 69 ASP N N 69 119.356 119.356 120.475 -1.119 18728 6461 1 7 . 1 1 69 69 ASP HA H 69 4.128 4.128 4.161 -0.033 18728 6462 1 7 . 1 1 69 69 ASP C C 69 178.765 178.765 177.911 0.854 18728 6463 1 7 . 1 1 69 69 ASP CA C 69 57.394 57.394 57.839 -0.445 18728 6464 1 7 . 1 1 69 69 ASP CB C 69 39.879 39.879 40.748 -0.869 18728 6465 1 7 . 1 1 69 69 ASP H H 69 8.109 8.109 8.095 0.014 18728 6466 1 7 . 1 1 70 70 ALA N N 70 123.031 123.031 121.220 1.811 18728 6467 1 7 . 1 1 70 70 ALA HA H 70 4.070 4.070 3.996 0.074 18728 6468 1 7 . 1 1 70 70 ALA C C 70 180.518 180.518 179.463 1.055 18728 6469 1 7 . 1 1 70 70 ALA CA C 70 55.209 55.209 55.268 -0.059 18728 6470 1 7 . 1 1 70 70 ALA CB C 70 18.104 18.104 18.270 -0.166 18728 6471 1 7 . 1 1 70 70 ALA H H 70 7.736 7.736 8.129 -0.393 18728 6472 1 7 . 1 1 71 71 ALA N N 71 121.446 121.446 118.564 2.882 18728 6473 1 7 . 1 1 71 71 ALA HA H 71 3.034 3.034 3.843 -0.809 18728 6474 1 7 . 1 1 71 71 ALA C C 71 182.248 182.248 179.709 2.539 18728 6475 1 7 . 1 1 71 71 ALA CA C 71 55.251 55.251 54.368 0.883 18728 6476 1 7 . 1 1 71 71 ALA CB C 71 17.976 17.976 18.512 -0.537 18728 6477 1 7 . 1 1 71 71 ALA H H 71 8.101 8.101 7.083 1.018 18728 6478 1 7 . 1 1 72 72 MET N N 72 118.027 118.027 118.448 -0.421 18728 6479 1 7 . 1 1 72 72 MET HA H 72 4.430 4.430 4.284 0.146 18728 6480 1 7 . 1 1 72 72 MET C C 72 179.409 179.409 178.884 0.525 18728 6481 1 7 . 1 1 72 72 MET CA C 72 56.379 56.379 57.222 -0.843 18728 6482 1 7 . 1 1 72 72 MET CB C 72 30.498 30.498 31.977 -1.480 18728 6483 1 7 . 1 1 72 72 MET H H 72 8.681 8.681 8.213 0.468 18728 6484 1 7 . 1 1 73 73 ASN N N 73 119.415 119.415 118.209 1.206 18728 6485 1 7 . 1 1 73 73 ASN HA H 73 4.627 4.627 4.545 0.082 18728 6486 1 7 . 1 1 73 73 ASN C C 73 175.014 175.014 176.551 -1.537 18728 6487 1 7 . 1 1 73 73 ASN CA C 73 54.323 54.323 55.477 -1.154 18728 6488 1 7 . 1 1 73 73 ASN CB C 73 38.468 38.468 38.456 0.012 18728 6489 1 7 . 1 1 73 73 ASN H H 73 8.096 8.096 8.844 -0.748 18728 6490 1 7 . 1 1 74 74 ALA N N 74 122.253 122.253 121.013 1.240 18728 6491 1 7 . 1 1 74 74 ALA HA H 74 4.299 4.299 4.220 0.079 18728 6492 1 7 . 1 1 74 74 ALA C C 74 175.305 175.305 176.978 -1.673 18728 6493 1 7 . 1 1 74 74 ALA CA C 74 51.273 51.273 51.505 -0.232 18728 6494 1 7 . 1 1 74 74 ALA CB C 74 18.922 18.922 18.734 0.188 18728 6495 1 7 . 1 1 74 74 ALA H H 74 6.966 6.966 7.350 -0.384 18728 6496 1 7 . 1 1 75 75 ARG N N 75 116.833 116.833 120.336 -3.503 18728 6497 1 7 . 1 1 75 75 ARG HA H 75 3.608 3.608 4.240 -0.632 18728 6498 1 7 . 1 1 75 75 ARG CA C 75 55.086 55.086 55.530 -0.444 18728 6499 1 7 . 1 1 75 75 ARG CB C 75 30.199 30.199 29.938 0.261 18728 6500 1 7 . 1 1 75 75 ARG H H 75 6.749 6.749 7.149 -0.400 18728 6501 1 7 . 1 1 76 76 PRO HA H 76 4.434 4.434 4.507 -0.073 18728 6502 1 7 . 1 1 76 76 PRO C C 76 175.590 175.590 175.786 -0.196 18728 6503 1 7 . 1 1 76 76 PRO CA C 76 61.614 61.614 62.480 -0.866 18728 6504 1 7 . 1 1 76 76 PRO CB C 76 34.982 34.982 32.684 2.298 18728 6505 1 7 . 1 1 77 77 HIS N N 77 122.039 122.039 118.719 3.320 18728 6506 1 7 . 1 1 77 77 HIS HA H 77 4.559 4.559 4.863 -0.304 18728 6507 1 7 . 1 1 77 77 HIS C C 77 173.137 173.137 174.425 -1.288 18728 6508 1 7 . 1 1 77 77 HIS CA C 77 56.231 56.231 55.581 0.650 18728 6509 1 7 . 1 1 77 77 HIS CB C 77 32.909 32.909 33.991 -1.082 18728 6510 1 7 . 1 1 77 77 HIS H H 77 9.384 9.384 8.361 1.023 18728 6511 1 7 . 1 1 78 78 LYS N N 78 125.607 125.607 122.992 2.615 18728 6512 1 7 . 1 1 78 78 LYS HA H 78 4.939 4.939 5.122 -0.183 18728 6513 1 7 . 1 1 78 78 LYS C C 78 174.858 174.858 175.079 -0.221 18728 6514 1 7 . 1 1 78 78 LYS CA C 78 54.755 54.755 55.571 -0.816 18728 6515 1 7 . 1 1 78 78 LYS CB C 78 33.475 33.475 34.504 -1.029 18728 6516 1 7 . 1 1 78 78 LYS H H 78 8.485 8.485 8.659 -0.174 18728 6517 1 7 . 1 1 79 79 VAL N N 79 124.596 124.596 125.558 -0.962 18728 6518 1 7 . 1 1 79 79 VAL HA H 79 3.955 3.955 4.016 -0.061 18728 6519 1 7 . 1 1 79 79 VAL C C 79 176.295 176.295 175.664 0.631 18728 6520 1 7 . 1 1 79 79 VAL CA C 79 60.737 60.737 61.389 -0.652 18728 6521 1 7 . 1 1 79 79 VAL CB C 79 33.249 33.249 33.062 0.187 18728 6522 1 7 . 1 1 79 79 VAL H H 79 8.581 8.581 8.212 0.369 18728 6523 1 7 . 1 1 80 80 ASP N N 80 128.668 128.668 126.761 1.907 18728 6524 1 7 . 1 1 80 80 ASP HA H 80 4.228 4.228 4.318 -0.090 18728 6525 1 7 . 1 1 80 80 ASP C C 80 175.744 175.744 176.056 -0.312 18728 6526 1 7 . 1 1 80 80 ASP CA C 80 55.882 55.882 54.965 0.917 18728 6527 1 7 . 1 1 80 80 ASP CB C 80 39.692 39.692 40.457 -0.765 18728 6528 1 7 . 1 1 80 80 ASP H H 80 9.553 9.553 9.328 0.225 18728 6529 1 7 . 1 1 81 81 GLY N N 81 101.527 101.527 103.679 -2.152 18728 6530 1 7 . 1 1 81 81 GLY C C 81 173.560 173.560 173.582 -0.022 18728 6531 1 7 . 1 1 81 81 GLY CA C 81 45.445 45.445 45.435 0.010 18728 6532 1 7 . 1 1 81 81 GLY H H 81 8.488 8.488 8.607 -0.119 18728 6533 1 7 . 1 1 82 82 ARG N N 82 120.493 120.493 119.564 0.929 18728 6534 1 7 . 1 1 82 82 ARG HA H 82 4.640 4.640 4.668 -0.028 18728 6535 1 7 . 1 1 82 82 ARG C C 82 174.512 174.512 174.368 0.144 18728 6536 1 7 . 1 1 82 82 ARG CA C 82 53.161 53.161 54.497 -1.336 18728 6537 1 7 . 1 1 82 82 ARG CB C 82 32.507 32.507 33.314 -0.807 18728 6538 1 7 . 1 1 82 82 ARG H H 82 7.555 7.555 7.476 0.079 18728 6539 1 7 . 1 1 83 83 VAL N N 83 124.855 124.855 126.624 -1.769 18728 6540 1 7 . 1 1 83 83 VAL HA H 83 4.501 4.501 4.422 0.079 18728 6541 1 7 . 1 1 83 83 VAL C C 83 176.701 176.701 174.794 1.907 18728 6542 1 7 . 1 1 83 83 VAL CA C 83 63.290 63.290 61.773 1.518 18728 6543 1 7 . 1 1 83 83 VAL CB C 83 30.867 30.867 32.699 -1.832 18728 6544 1 7 . 1 1 83 83 VAL H H 83 8.633 8.633 8.587 0.046 18728 6545 1 7 . 1 1 84 84 VAL N N 84 122.944 122.944 124.861 -1.917 18728 6546 1 7 . 1 1 84 84 VAL HA H 84 4.667 4.667 4.996 -0.329 18728 6547 1 7 . 1 1 84 84 VAL C C 84 174.969 174.969 174.271 0.698 18728 6548 1 7 . 1 1 84 84 VAL CA C 84 59.499 59.499 59.367 0.132 18728 6549 1 7 . 1 1 84 84 VAL CB C 84 32.761 32.761 34.830 -2.069 18728 6550 1 7 . 1 1 84 84 VAL H H 84 8.391 8.391 8.397 -0.006 18728 6551 1 7 . 1 1 85 85 GLU N N 85 120.907 120.907 123.934 -3.027 18728 6552 1 7 . 1 1 85 85 GLU HA H 85 5.087 5.087 4.935 0.152 18728 6553 1 7 . 1 1 85 85 GLU CA C 85 52.949 52.949 52.247 0.702 18728 6554 1 7 . 1 1 85 85 GLU CB C 85 31.367 31.367 31.316 0.051 18728 6555 1 7 . 1 1 85 85 GLU H H 85 8.681 8.681 8.992 -0.311 18728 6556 1 7 . 1 1 86 86 PRO HA H 86 5.383 5.383 4.860 0.523 18728 6557 1 7 . 1 1 86 86 PRO C C 86 175.908 175.908 176.061 -0.153 18728 6558 1 7 . 1 1 86 86 PRO CA C 86 61.444 61.444 62.508 -1.064 18728 6559 1 7 . 1 1 86 86 PRO CB C 86 32.657 32.657 32.518 0.139 18728 6560 1 7 . 1 1 87 87 LYS N N 87 121.252 121.252 122.001 -0.749 18728 6561 1 7 . 1 1 87 87 LYS HA H 87 4.688 4.688 5.083 -0.395 18728 6562 1 7 . 1 1 87 87 LYS C C 87 175.676 175.676 175.964 -0.288 18728 6563 1 7 . 1 1 87 87 LYS CA C 87 55.101 55.101 54.264 0.838 18728 6564 1 7 . 1 1 87 87 LYS CB C 87 36.608 36.608 36.752 -0.144 18728 6565 1 7 . 1 1 87 87 LYS H H 87 9.397 9.397 8.733 0.664 18728 6566 1 7 . 1 1 88 88 ARG N N 88 123.272 123.272 121.360 1.912 18728 6567 1 7 . 1 1 88 88 ARG HA H 88 4.375 4.375 4.404 -0.029 18728 6568 1 7 . 1 1 88 88 ARG C C 88 177.011 177.011 176.762 0.249 18728 6569 1 7 . 1 1 88 88 ARG CA C 88 57.209 57.209 56.280 0.929 18728 6570 1 7 . 1 1 88 88 ARG CB C 88 30.452 30.452 30.559 -0.107 18728 6571 1 7 . 1 1 88 88 ARG H H 88 8.940 8.940 8.837 0.103 18728 6572 1 7 . 1 1 89 89 ALA N N 89 126.260 126.260 131.298 -5.038 18728 6573 1 7 . 1 1 89 89 ALA HA H 89 4.259 4.259 4.482 -0.223 18728 6574 1 7 . 1 1 89 89 ALA C C 89 177.452 177.452 176.603 0.849 18728 6575 1 7 . 1 1 89 89 ALA CA C 89 53.712 53.712 52.060 1.652 18728 6576 1 7 . 1 1 89 89 ALA CB C 89 18.824 18.824 18.682 0.142 18728 6577 1 7 . 1 1 89 89 ALA H H 89 8.424 8.424 8.263 0.161 18728 6578 1 7 . 1 1 90 90 VAL N N 90 115.835 115.835 124.164 -8.329 18728 6579 1 7 . 1 1 90 90 VAL HA H 90 4.182 4.182 4.006 0.176 18728 6580 1 7 . 1 1 90 90 VAL C C 90 175.397 175.397 177.148 -1.751 18728 6581 1 7 . 1 1 90 90 VAL CA C 90 61.516 61.516 63.217 -1.701 18728 6582 1 7 . 1 1 90 90 VAL CB C 90 33.448 33.448 31.952 1.496 18728 6583 1 7 . 1 1 90 90 VAL H H 90 7.892 7.892 7.679 0.213 18728 6584 1 7 . 1 1 91 91 SER N N 91 119.224 119.224 121.760 -2.536 18728 6585 1 7 . 1 1 91 91 SER HA H 91 4.420 4.420 4.181 0.239 18728 6586 1 7 . 1 1 91 91 SER CA C 91 57.888 57.888 58.753 -0.865 18728 6587 1 7 . 1 1 91 91 SER CB C 91 63.788 63.788 63.856 -0.068 18728 6588 1 7 . 1 1 91 91 SER H H 91 8.327 8.327 8.789 -0.462 18728 6589 1 7 . 1 1 92 92 ARG HA H 92 4.231 4.231 4.199 0.032 18728 6590 1 7 . 1 1 92 92 ARG C C 92 176.651 176.651 177.318 -0.667 18728 6591 1 7 . 1 1 92 92 ARG CA C 92 56.671 56.671 57.711 -1.040 18728 6592 1 7 . 1 1 92 92 ARG CB C 92 30.776 30.776 29.759 1.017 18728 6593 1 7 . 1 1 92 92 ARG H H 92 8.425 8.425 9.053 -0.628 18728 6594 1 7 . 1 1 93 93 GLU N N 93 121.483 121.483 117.460 4.023 18728 6595 1 7 . 1 1 93 93 GLU HA H 93 4.181 4.181 4.182 -0.001 18728 6596 1 7 . 1 1 93 93 GLU C C 93 176.605 176.605 177.932 -1.327 18728 6597 1 7 . 1 1 93 93 GLU CA C 93 57.185 57.185 58.562 -1.377 18728 6598 1 7 . 1 1 93 93 GLU CB C 93 30.015 30.015 29.689 0.326 18728 6599 1 7 . 1 1 93 93 GLU H H 93 8.503 8.503 7.537 0.966 18728 6600 1 7 . 1 1 94 94 ASP N N 94 121.305 121.305 119.008 2.297 18728 6601 1 7 . 1 1 94 94 ASP HA H 94 4.540 4.540 4.600 -0.060 18728 6602 1 7 . 1 1 94 94 ASP C C 94 176.744 176.744 178.161 -1.417 18728 6603 1 7 . 1 1 94 94 ASP CA C 94 54.678 54.678 56.234 -1.556 18728 6604 1 7 . 1 1 94 94 ASP CB C 94 41.183 41.183 41.663 -0.480 18728 6605 1 7 . 1 1 94 94 ASP H H 94 8.229 8.229 7.812 0.417 18728 6606 1 7 . 1 1 95 95 SER N N 95 115.787 115.787 114.098 1.689 18728 6607 1 7 . 1 1 95 95 SER HA H 95 4.286 4.286 4.130 0.156 18728 6608 1 7 . 1 1 95 95 SER C C 95 174.602 174.602 174.646 -0.044 18728 6609 1 7 . 1 1 95 95 SER CA C 95 58.957 58.957 60.040 -1.083 18728 6610 1 7 . 1 1 95 95 SER CB C 95 64.524 64.524 63.054 1.470 18728 6611 1 7 . 1 1 95 95 SER H H 95 8.109 8.109 8.326 -0.217 18728 6612 1 7 . 1 1 96 96 GLN N N 96 120.796 120.796 119.509 1.287 18728 6613 1 7 . 1 1 96 96 GLN HA H 96 4.297 4.297 4.225 0.072 18728 6614 1 7 . 1 1 96 96 GLN C C 96 175.742 175.742 175.614 0.128 18728 6615 1 7 . 1 1 96 96 GLN CA C 96 55.721 55.721 56.266 -0.545 18728 6616 1 7 . 1 1 96 96 GLN CB C 96 29.313 29.313 29.169 0.144 18728 6617 1 7 . 1 1 96 96 GLN H H 96 8.161 8.161 7.376 0.785 18728 6618 1 7 . 1 1 97 97 ARG N N 97 122.462 122.462 120.428 2.034 18728 6619 1 7 . 1 1 97 97 ARG HA H 97 4.552 4.552 4.708 -0.156 18728 6620 1 7 . 1 1 97 97 ARG CA C 97 54.096 54.096 52.513 1.583 18728 6621 1 7 . 1 1 97 97 ARG CB C 97 30.115 30.115 29.278 0.837 18728 6622 1 7 . 1 1 97 97 ARG H H 97 8.029 8.029 7.688 0.341 18728 6623 1 7 . 1 1 98 98 PRO HA H 98 4.362 4.362 4.397 -0.035 18728 6624 1 7 . 1 1 98 98 PRO C C 98 177.715 177.715 177.321 0.394 18728 6625 1 7 . 1 1 98 98 PRO CA C 98 63.592 63.592 63.066 0.526 18728 6626 1 7 . 1 1 98 98 PRO CB C 98 31.955 31.955 31.805 0.150 18728 6627 1 7 . 1 1 99 99 GLY N N 99 109.572 109.572 112.840 -3.268 18728 6628 1 7 . 1 1 99 99 GLY C C 99 174.356 174.356 174.553 -0.197 18728 6629 1 7 . 1 1 99 99 GLY CA C 99 45.395 45.395 44.928 0.467 18728 6630 1 7 . 1 1 99 99 GLY H H 99 8.516 8.516 8.692 -0.176 18728 6631 1 7 . 1 1 100 100 ALA N N 100 123.418 123.418 121.308 2.110 18728 6632 1 7 . 1 1 100 100 ALA HA H 100 4.141 4.141 4.088 0.053 18728 6633 1 7 . 1 1 100 100 ALA CA C 100 53.160 53.160 53.268 -0.108 18728 6634 1 7 . 1 1 100 100 ALA CB C 100 19.185 19.185 19.584 -0.399 18728 6635 1 7 . 1 1 100 100 ALA H H 100 8.015 8.015 7.860 0.155 18728 6636 1 7 . 1 1 101 101 HIS HA H 101 4.502 4.502 4.508 -0.006 18728 6637 1 7 . 1 1 101 101 HIS C C 101 175.102 175.102 174.646 0.456 18728 6638 1 7 . 1 1 101 101 HIS CA C 101 56.309 56.309 54.850 1.459 18728 6639 1 7 . 1 1 101 101 HIS CB C 101 30.450 30.450 29.296 1.154 18728 6640 1 7 . 1 1 102 102 LEU N N 102 122.495 122.495 120.820 1.675 18728 6641 1 7 . 1 1 102 102 LEU HA H 102 4.263 4.263 4.297 -0.034 18728 6642 1 7 . 1 1 102 102 LEU C C 102 177.020 177.020 177.294 -0.274 18728 6643 1 7 . 1 1 102 102 LEU CA C 102 54.934 54.934 54.666 0.268 18728 6644 1 7 . 1 1 102 102 LEU CB C 102 42.414 42.414 42.695 -0.281 18728 6645 1 7 . 1 1 102 102 LEU H H 102 7.774 7.774 7.336 0.438 18728 6646 1 7 . 1 1 103 103 THR N N 103 115.720 115.720 117.526 -1.806 18728 6647 1 7 . 1 1 103 103 THR HA H 103 4.220 4.220 4.053 0.167 18728 6648 1 7 . 1 1 103 103 THR C C 103 174.185 174.185 173.731 0.454 18728 6649 1 7 . 1 1 103 103 THR CA C 103 60.917 60.917 62.274 -1.357 18728 6650 1 7 . 1 1 103 103 THR CB C 103 69.340 69.340 68.147 1.193 18728 6651 1 7 . 1 1 103 103 THR H H 103 8.001 8.001 8.374 -0.373 18728 6652 1 7 . 1 1 104 104 VAL N N 104 122.004 122.004 125.116 -3.112 18728 6653 1 7 . 1 1 104 104 VAL HA H 104 4.330 4.330 4.392 -0.062 18728 6654 1 7 . 1 1 104 104 VAL C C 104 175.294 175.294 174.895 0.399 18728 6655 1 7 . 1 1 104 104 VAL CA C 104 61.877 61.877 60.601 1.276 18728 6656 1 7 . 1 1 104 104 VAL CB C 104 34.220 34.220 33.778 0.442 18728 6657 1 7 . 1 1 104 104 VAL H H 104 8.191 8.191 7.947 0.244 18728 6658 1 7 . 1 1 105 105 LYS N N 105 121.406 121.406 127.974 -6.568 18728 6659 1 7 . 1 1 105 105 LYS HA H 105 4.498 4.498 4.472 0.026 18728 6660 1 7 . 1 1 105 105 LYS C C 105 173.482 173.482 175.373 -1.891 18728 6661 1 7 . 1 1 105 105 LYS CA C 105 56.433 56.433 55.895 0.538 18728 6662 1 7 . 1 1 105 105 LYS CB C 105 33.245 33.245 32.449 0.796 18728 6663 1 7 . 1 1 105 105 LYS H H 105 8.672 8.672 8.734 -0.062 18728 6664 1 7 . 1 1 106 106 LYS N N 106 121.756 121.756 119.339 2.417 18728 6665 1 7 . 1 1 106 106 LYS HA H 106 5.623 5.623 5.339 0.284 18728 6666 1 7 . 1 1 106 106 LYS C C 106 175.153 175.153 175.496 -0.343 18728 6667 1 7 . 1 1 106 106 LYS CA C 106 54.537 54.537 54.826 -0.289 18728 6668 1 7 . 1 1 106 106 LYS CB C 106 37.407 37.407 36.066 1.341 18728 6669 1 7 . 1 1 106 106 LYS H H 106 7.134 7.134 7.687 -0.553 18728 6670 1 7 . 1 1 107 107 ILE N N 107 115.982 115.982 118.669 -2.687 18728 6671 1 7 . 1 1 107 107 ILE HA H 107 5.110 5.110 5.142 -0.032 18728 6672 1 7 . 1 1 107 107 ILE C C 107 174.525 174.525 173.814 0.711 18728 6673 1 7 . 1 1 107 107 ILE CA C 107 59.009 59.009 59.283 -0.274 18728 6674 1 7 . 1 1 107 107 ILE CB C 107 40.552 40.552 41.569 -1.018 18728 6675 1 7 . 1 1 107 107 ILE H H 107 8.948 8.948 8.297 0.651 18728 6676 1 7 . 1 1 108 108 PHE N N 108 124.182 124.182 124.733 -0.551 18728 6677 1 7 . 1 1 108 108 PHE HA H 108 4.696 4.696 4.525 0.171 18728 6678 1 7 . 1 1 108 108 PHE C C 108 173.422 173.422 173.396 0.026 18728 6679 1 7 . 1 1 108 108 PHE CA C 108 56.567 56.567 56.177 0.390 18728 6680 1 7 . 1 1 108 108 PHE CB C 108 41.596 41.596 41.522 0.074 18728 6681 1 7 . 1 1 108 108 PHE H H 108 9.103 9.103 8.976 0.127 18728 6682 1 7 . 1 1 109 109 VAL N N 109 126.956 126.956 126.737 0.219 18728 6683 1 7 . 1 1 109 109 VAL HA H 109 4.497 4.497 4.707 -0.210 18728 6684 1 7 . 1 1 109 109 VAL C C 109 174.097 174.097 174.184 -0.087 18728 6685 1 7 . 1 1 109 109 VAL CA C 109 60.493 60.493 59.903 0.590 18728 6686 1 7 . 1 1 109 109 VAL CB C 109 33.266 33.266 32.497 0.769 18728 6687 1 7 . 1 1 109 109 VAL H H 109 8.338 8.338 8.047 0.291 18728 6688 1 7 . 1 1 110 110 GLY N N 110 113.617 113.617 112.783 0.834 18728 6689 1 7 . 1 1 110 110 GLY C C 110 174.325 174.325 173.395 0.930 18728 6690 1 7 . 1 1 110 110 GLY CA C 110 44.011 44.011 43.400 0.611 18728 6691 1 7 . 1 1 110 110 GLY H H 110 9.173 9.173 8.630 0.543 18728 6692 1 7 . 1 1 111 111 GLY N N 111 106.411 106.411 108.212 -1.801 18728 6693 1 7 . 1 1 111 111 GLY CA C 111 46.359 46.359 45.031 1.328 18728 6694 1 7 . 1 1 111 111 GLY H H 111 8.221 8.221 8.745 -0.524 18728 6695 1 7 . 1 1 116 116 THR HA H 116 4.322 4.322 4.843 -0.521 18728 6696 1 7 . 1 1 116 116 THR C C 116 173.380 173.380 173.597 -0.217 18728 6697 1 7 . 1 1 116 116 THR CA C 116 63.000 63.000 61.862 1.138 18728 6698 1 7 . 1 1 117 117 GLU N N 117 130.298 130.298 126.128 4.170 18728 6699 1 7 . 1 1 117 117 GLU HA H 117 4.632 4.632 4.670 -0.038 18728 6700 1 7 . 1 1 117 117 GLU C C 117 177.632 177.632 176.802 0.830 18728 6701 1 7 . 1 1 117 117 GLU CA C 117 53.853 53.853 53.763 0.090 18728 6702 1 7 . 1 1 117 117 GLU CB C 117 32.977 32.977 30.845 2.132 18728 6703 1 7 . 1 1 117 117 GLU H H 117 11.190 11.190 8.377 2.813 18728 6704 1 7 . 1 1 118 118 GLU N N 118 122.126 122.126 120.188 1.938 18728 6705 1 7 . 1 1 118 118 GLU HA H 118 3.627 3.627 3.943 -0.316 18728 6706 1 7 . 1 1 118 118 GLU C C 118 179.294 179.294 177.858 1.436 18728 6707 1 7 . 1 1 118 118 GLU CA C 118 61.689 61.689 60.292 1.397 18728 6708 1 7 . 1 1 118 118 GLU CB C 118 29.075 29.075 29.579 -0.504 18728 6709 1 7 . 1 1 118 118 GLU H H 118 9.339 9.339 8.791 0.548 18728 6710 1 7 . 1 1 119 119 HIS N N 119 113.514 113.514 117.565 -4.051 18728 6711 1 7 . 1 1 119 119 HIS HA H 119 4.265 4.265 4.321 -0.056 18728 6712 1 7 . 1 1 119 119 HIS C C 119 176.566 176.566 177.476 -0.910 18728 6713 1 7 . 1 1 119 119 HIS CA C 119 58.917 58.917 59.525 -0.608 18728 6714 1 7 . 1 1 119 119 HIS CB C 119 28.187 28.187 29.993 -1.806 18728 6715 1 7 . 1 1 119 119 HIS H H 119 8.240 8.240 8.227 0.013 18728 6716 1 7 . 1 1 120 120 HIS N N 120 118.629 118.629 118.606 0.023 18728 6717 1 7 . 1 1 120 120 HIS HA H 120 4.332 4.332 4.165 0.167 18728 6718 1 7 . 1 1 120 120 HIS C C 120 179.713 179.713 177.417 2.296 18728 6719 1 7 . 1 1 120 120 HIS CA C 120 60.310 60.310 58.993 1.317 18728 6720 1 7 . 1 1 120 120 HIS CB C 120 32.233 32.233 30.134 2.099 18728 6721 1 7 . 1 1 120 120 HIS H H 120 6.474 6.474 7.953 -1.479 18728 6722 1 7 . 1 1 121 121 LEU N N 121 117.249 117.249 115.830 1.419 18728 6723 1 7 . 1 1 121 121 LEU HA H 121 4.179 4.179 4.454 -0.275 18728 6724 1 7 . 1 1 121 121 LEU C C 121 178.020 178.020 178.622 -0.602 18728 6725 1 7 . 1 1 121 121 LEU CA C 121 57.924 57.924 57.669 0.255 18728 6726 1 7 . 1 1 121 121 LEU CB C 121 42.577 42.577 41.662 0.915 18728 6727 1 7 . 1 1 121 121 LEU H H 121 7.132 7.132 7.713 -0.581 18728 6728 1 7 . 1 1 122 122 ARG N N 122 121.766 121.766 121.240 0.526 18728 6729 1 7 . 1 1 122 122 ARG HA H 122 3.741 3.741 4.054 -0.313 18728 6730 1 7 . 1 1 122 122 ARG C C 122 177.023 177.023 178.124 -1.101 18728 6731 1 7 . 1 1 122 122 ARG CA C 122 60.508 60.508 59.795 0.713 18728 6732 1 7 . 1 1 122 122 ARG CB C 122 30.256 30.256 29.760 0.496 18728 6733 1 7 . 1 1 122 122 ARG H H 122 8.759 8.759 8.890 -0.131 18728 6734 1 7 . 1 1 123 123 ASP N N 123 116.299 116.299 117.384 -1.085 18728 6735 1 7 . 1 1 123 123 ASP HA H 123 4.294 4.294 4.339 -0.045 18728 6736 1 7 . 1 1 123 123 ASP C C 123 178.057 178.057 177.684 0.373 18728 6737 1 7 . 1 1 123 123 ASP CA C 123 57.076 57.076 57.021 0.055 18728 6738 1 7 . 1 1 123 123 ASP CB C 123 40.572 40.572 40.473 0.099 18728 6739 1 7 . 1 1 123 123 ASP H H 123 8.423 8.423 7.834 0.589 18728 6740 1 7 . 1 1 124 124 TYR N N 124 115.172 115.172 119.570 -4.398 18728 6741 1 7 . 1 1 124 124 TYR HA H 124 4.338 4.338 4.183 0.155 18728 6742 1 7 . 1 1 124 124 TYR C C 124 177.688 177.688 177.689 -0.001 18728 6743 1 7 . 1 1 124 124 TYR CA C 124 61.660 61.660 61.172 0.488 18728 6744 1 7 . 1 1 124 124 TYR CB C 124 39.847 39.847 38.950 0.897 18728 6745 1 7 . 1 1 124 124 TYR H H 124 7.212 7.212 7.369 -0.157 18728 6746 1 7 . 1 1 125 125 PHE N N 125 113.932 113.932 117.748 -3.816 18728 6747 1 7 . 1 1 125 125 PHE HA H 125 4.515 4.515 4.396 0.119 18728 6748 1 7 . 1 1 125 125 PHE C C 125 178.209 178.209 178.282 -0.073 18728 6749 1 7 . 1 1 125 125 PHE CA C 125 63.404 63.404 61.584 1.820 18728 6750 1 7 . 1 1 125 125 PHE CB C 125 38.614 38.614 38.592 0.022 18728 6751 1 7 . 1 1 125 125 PHE H H 125 8.802 8.802 9.029 -0.227 18728 6752 1 7 . 1 1 126 126 GLU N N 126 120.515 120.515 119.134 1.381 18728 6753 1 7 . 1 1 126 126 GLU HA H 126 4.884 4.884 4.466 0.418 18728 6754 1 7 . 1 1 126 126 GLU C C 126 177.936 177.936 177.355 0.581 18728 6755 1 7 . 1 1 126 126 GLU CA C 126 58.560 58.560 58.070 0.490 18728 6756 1 7 . 1 1 126 126 GLU CB C 126 28.516 28.516 29.197 -0.681 18728 6757 1 7 . 1 1 126 126 GLU H H 126 8.869 8.869 8.029 0.840 18728 6758 1 7 . 1 1 127 127 GLN N N 127 115.855 115.855 116.863 -1.008 18728 6759 1 7 . 1 1 127 127 GLN HA H 127 4.055 4.055 3.960 0.095 18728 6760 1 7 . 1 1 127 127 GLN C C 127 176.656 176.656 177.745 -1.089 18728 6761 1 7 . 1 1 127 127 GLN CA C 127 57.566 57.566 57.937 -0.371 18728 6762 1 7 . 1 1 127 127 GLN CB C 127 29.047 29.047 28.502 0.546 18728 6763 1 7 . 1 1 127 127 GLN H H 127 7.105 7.105 7.577 -0.472 18728 6764 1 7 . 1 1 128 128 TYR N N 128 116.626 116.626 116.570 0.056 18728 6765 1 7 . 1 1 128 128 TYR HA H 128 4.328 4.328 4.396 -0.068 18728 6766 1 7 . 1 1 128 128 TYR C C 128 175.596 175.596 176.303 -0.707 18728 6767 1 7 . 1 1 128 128 TYR CA C 128 59.492 59.492 59.996 -0.504 18728 6768 1 7 . 1 1 128 128 TYR CB C 128 39.539 39.539 39.812 -0.273 18728 6769 1 7 . 1 1 128 128 TYR H H 128 7.950 7.950 7.861 0.089 18728 6770 1 7 . 1 1 129 129 GLY N N 129 107.386 107.386 103.166 4.220 18728 6771 1 7 . 1 1 129 129 GLY C C 129 170.407 170.407 172.010 -1.603 18728 6772 1 7 . 1 1 129 129 GLY CA C 129 44.819 44.819 45.166 -0.347 18728 6773 1 7 . 1 1 129 129 GLY H H 129 7.492 7.492 7.568 -0.076 18728 6774 1 7 . 1 1 130 130 LYS N N 130 117.786 117.786 120.812 -3.026 18728 6775 1 7 . 1 1 130 130 LYS HA H 130 4.315 4.315 4.376 -0.061 18728 6776 1 7 . 1 1 130 130 LYS C C 130 177.097 177.097 175.438 1.659 18728 6777 1 7 . 1 1 130 130 LYS CA C 130 56.938 56.938 56.242 0.696 18728 6778 1 7 . 1 1 130 130 LYS CB C 130 33.199 33.199 33.517 -0.318 18728 6779 1 7 . 1 1 130 130 LYS H H 130 8.135 8.135 8.586 -0.451 18728 6780 1 7 . 1 1 131 131 ILE N N 131 127.829 127.829 125.953 1.876 18728 6781 1 7 . 1 1 131 131 ILE HA H 131 3.681 3.681 3.950 -0.269 18728 6782 1 7 . 1 1 131 131 ILE C C 131 175.841 175.841 175.917 -0.076 18728 6783 1 7 . 1 1 131 131 ILE CA C 131 61.625 61.625 60.411 1.214 18728 6784 1 7 . 1 1 131 131 ILE CB C 131 40.441 40.441 39.856 0.585 18728 6785 1 7 . 1 1 131 131 ILE H H 131 8.917 8.917 8.446 0.471 18728 6786 1 7 . 1 1 132 132 GLU N N 132 128.437 128.437 126.777 1.660 18728 6787 1 7 . 1 1 132 132 GLU HA H 132 4.320 4.320 4.352 -0.032 18728 6788 1 7 . 1 1 132 132 GLU C C 132 176.192 176.192 176.066 0.126 18728 6789 1 7 . 1 1 132 132 GLU CA C 132 57.816 57.816 57.900 -0.084 18728 6790 1 7 . 1 1 132 132 GLU CB C 132 31.670 31.670 30.985 0.685 18728 6791 1 7 . 1 1 132 132 GLU H H 132 9.136 9.136 8.705 0.431 18728 6792 1 7 . 1 1 133 133 VAL N N 133 115.096 115.096 117.450 -2.354 18728 6793 1 7 . 1 1 133 133 VAL HA H 133 4.316 4.316 4.278 0.038 18728 6794 1 7 . 1 1 133 133 VAL C C 133 172.860 172.860 173.585 -0.725 18728 6795 1 7 . 1 1 133 133 VAL CA C 133 61.258 61.258 60.829 0.429 18728 6796 1 7 . 1 1 133 133 VAL CB C 133 35.526 35.526 35.552 -0.026 18728 6797 1 7 . 1 1 133 133 VAL H H 133 7.272 7.272 7.496 -0.224 18728 6798 1 7 . 1 1 134 134 ILE N N 134 126.870 126.870 125.297 1.573 18728 6799 1 7 . 1 1 134 134 ILE HA H 134 4.464 4.464 4.367 0.097 18728 6800 1 7 . 1 1 134 134 ILE C C 134 174.004 174.004 174.903 -0.899 18728 6801 1 7 . 1 1 134 134 ILE CA C 134 60.904 60.904 60.330 0.574 18728 6802 1 7 . 1 1 134 134 ILE CB C 134 40.408 40.408 39.975 0.433 18728 6803 1 7 . 1 1 134 134 ILE H H 134 8.566 8.566 8.824 -0.258 18728 6804 1 7 . 1 1 135 135 GLU N N 135 128.037 128.037 128.750 -0.713 18728 6805 1 7 . 1 1 135 135 GLU HA H 135 4.642 4.642 4.668 -0.026 18728 6806 1 7 . 1 1 135 135 GLU C C 135 174.883 174.883 174.929 -0.046 18728 6807 1 7 . 1 1 135 135 GLU CA C 135 54.640 54.640 55.615 -0.975 18728 6808 1 7 . 1 1 135 135 GLU CB C 135 33.259 33.259 30.430 2.829 18728 6809 1 7 . 1 1 135 135 GLU H H 135 9.019 9.019 8.722 0.297 18728 6810 1 7 . 1 1 136 136 ILE N N 136 126.668 126.668 125.588 1.080 18728 6811 1 7 . 1 1 136 136 ILE HA H 136 3.898 3.898 4.267 -0.369 18728 6812 1 7 . 1 1 136 136 ILE C C 136 176.157 176.157 175.174 0.983 18728 6813 1 7 . 1 1 136 136 ILE CA C 136 61.336 61.336 60.060 1.276 18728 6814 1 7 . 1 1 136 136 ILE CB C 136 37.397 37.397 37.417 -0.020 18728 6815 1 7 . 1 1 136 136 ILE H H 136 8.967 8.967 8.546 0.421 18728 6816 1 7 . 1 1 137 137 MET N N 137 126.115 126.115 128.145 -2.030 18728 6817 1 7 . 1 1 137 137 MET HA H 137 4.679 4.679 4.777 -0.098 18728 6818 1 7 . 1 1 137 137 MET C C 137 176.723 176.723 175.386 1.337 18728 6819 1 7 . 1 1 137 137 MET CA C 137 55.163 55.163 53.001 2.162 18728 6820 1 7 . 1 1 137 137 MET CB C 137 30.841 30.841 33.659 -2.818 18728 6821 1 7 . 1 1 137 137 MET H H 137 7.656 7.656 8.543 -0.887 18728 6822 1 7 . 1 1 138 138 THR N N 138 116.735 116.735 113.700 3.035 18728 6823 1 7 . 1 1 138 138 THR HA H 138 4.746 4.746 4.491 0.255 18728 6824 1 7 . 1 1 138 138 THR C C 138 173.642 173.642 173.787 -0.145 18728 6825 1 7 . 1 1 138 138 THR CA C 138 60.385 60.385 60.090 0.295 18728 6826 1 7 . 1 1 138 138 THR CB C 138 72.028 72.028 70.633 1.395 18728 6827 1 7 . 1 1 138 138 THR H H 138 8.551 8.551 8.269 0.282 18728 6828 1 7 . 1 1 139 139 ASP N N 139 123.899 123.899 123.376 0.523 18728 6829 1 7 . 1 1 139 139 ASP HA H 139 4.677 4.677 4.321 0.356 18728 6830 1 7 . 1 1 139 139 ASP CA C 139 53.728 53.728 55.422 -1.694 18728 6831 1 7 . 1 1 139 139 ASP CB C 139 42.270 42.270 42.779 -0.509 18728 6832 1 7 . 1 1 139 139 ASP H H 139 8.818 8.818 8.673 0.145 18728 6833 1 7 . 1 1 140 140 ARG HA H 140 4.037 4.037 4.247 -0.210 18728 6834 1 7 . 1 1 140 140 ARG C C 140 177.886 177.886 177.381 0.505 18728 6835 1 7 . 1 1 140 140 ARG CB C 140 29.886 29.886 30.244 -0.358 18728 6836 1 7 . 1 1 141 141 GLY N N 141 107.951 107.951 106.569 1.382 18728 6837 1 7 . 1 1 141 141 GLY C C 141 174.861 174.861 175.529 -0.668 18728 6838 1 7 . 1 1 141 141 GLY CA C 141 46.490 46.490 45.716 0.774 18728 6839 1 7 . 1 1 141 141 GLY H H 141 8.635 8.635 8.212 0.423 18728 6840 1 7 . 1 1 142 142 SER N N 142 114.044 114.044 116.337 -2.293 18728 6841 1 7 . 1 1 142 142 SER HA H 142 4.533 4.533 4.541 -0.008 18728 6842 1 7 . 1 1 142 142 SER C C 142 176.080 176.080 175.060 1.020 18728 6843 1 7 . 1 1 142 142 SER CA C 142 58.429 58.429 58.199 0.230 18728 6844 1 7 . 1 1 142 142 SER CB C 142 65.439 65.439 64.327 1.112 18728 6845 1 7 . 1 1 142 142 SER H H 142 8.034 8.034 8.770 -0.736 18728 6846 1 7 . 1 1 143 143 GLY N N 143 112.348 112.348 107.850 4.498 18728 6847 1 7 . 1 1 143 143 GLY C C 143 173.949 173.949 173.737 0.212 18728 6848 1 7 . 1 1 143 143 GLY CA C 143 45.703 45.703 45.369 0.334 18728 6849 1 7 . 1 1 143 143 GLY H H 143 8.363 8.363 7.595 0.768 18728 6850 1 7 . 1 1 144 144 LYS N N 144 119.966 119.966 119.838 0.128 18728 6851 1 7 . 1 1 144 144 LYS HA H 144 4.273 4.273 4.300 -0.027 18728 6852 1 7 . 1 1 144 144 LYS C C 144 176.969 176.969 176.269 0.700 18728 6853 1 7 . 1 1 144 144 LYS CA C 144 56.145 56.145 54.485 1.660 18728 6854 1 7 . 1 1 144 144 LYS CB C 144 33.378 33.378 32.909 0.469 18728 6855 1 7 . 1 1 144 144 LYS H H 144 7.786 7.786 7.829 -0.043 18728 6856 1 7 . 1 1 145 145 LYS N N 145 123.668 123.668 125.072 -1.404 18728 6857 1 7 . 1 1 145 145 LYS HA H 145 4.187 4.187 4.135 0.052 18728 6858 1 7 . 1 1 145 145 LYS C C 145 177.498 177.498 175.733 1.765 18728 6859 1 7 . 1 1 145 145 LYS CA C 145 57.392 57.392 56.793 0.599 18728 6860 1 7 . 1 1 145 145 LYS CB C 145 32.577 32.577 31.661 0.916 18728 6861 1 7 . 1 1 145 145 LYS H H 145 8.968 8.968 8.753 0.215 18728 6862 1 7 . 1 1 146 146 ARG N N 146 119.700 119.700 121.825 -2.125 18728 6863 1 7 . 1 1 146 146 ARG HA H 146 4.294 4.294 4.495 -0.201 18728 6864 1 7 . 1 1 146 146 ARG CA C 146 56.365 56.365 55.009 1.356 18728 6865 1 7 . 1 1 146 146 ARG CB C 146 30.786 30.786 32.694 -1.908 18728 6866 1 7 . 1 1 146 146 ARG H H 146 8.095 8.095 7.778 0.317 18728 6867 1 7 . 1 1 147 147 GLY N N 147 110.572 110.572 108.141 2.431 18728 6868 1 7 . 1 1 147 147 GLY C C 147 173.384 173.384 173.067 0.317 18728 6869 1 7 . 1 1 147 147 GLY CA C 147 45.440 45.440 46.397 -0.957 18728 6870 1 7 . 1 1 147 147 GLY H H 147 8.401 8.401 8.842 -0.441 18728 6871 1 7 . 1 1 148 148 PHE N N 148 114.199 114.199 116.267 -2.068 18728 6872 1 7 . 1 1 148 148 PHE HA H 148 5.194 5.194 5.230 -0.036 18728 6873 1 7 . 1 1 148 148 PHE C C 148 172.409 172.409 172.752 -0.343 18728 6874 1 7 . 1 1 148 148 PHE CA C 148 55.282 55.282 56.298 -1.016 18728 6875 1 7 . 1 1 148 148 PHE CB C 148 41.869 41.869 40.610 1.259 18728 6876 1 7 . 1 1 148 148 PHE H H 148 7.255 7.255 7.306 -0.051 18728 6877 1 7 . 1 1 149 149 ALA N N 149 121.427 121.427 120.226 1.201 18728 6878 1 7 . 1 1 149 149 ALA HA H 149 4.966 4.966 4.816 0.150 18728 6879 1 7 . 1 1 149 149 ALA C C 149 174.084 174.084 174.381 -0.297 18728 6880 1 7 . 1 1 149 149 ALA CA C 149 49.755 49.755 50.975 -1.220 18728 6881 1 7 . 1 1 149 149 ALA CB C 149 25.094 25.094 22.622 2.472 18728 6882 1 7 . 1 1 149 149 ALA H H 149 8.786 8.786 8.866 -0.080 18728 6883 1 7 . 1 1 150 150 PHE N N 150 114.425 114.425 116.174 -1.749 18728 6884 1 7 . 1 1 150 150 PHE HA H 150 5.874 5.874 5.430 0.444 18728 6885 1 7 . 1 1 150 150 PHE C C 150 176.196 176.196 174.356 1.840 18728 6886 1 7 . 1 1 150 150 PHE CA C 150 56.070 56.070 57.231 -1.161 18728 6887 1 7 . 1 1 150 150 PHE CB C 150 43.251 43.251 44.582 -1.331 18728 6888 1 7 . 1 1 150 150 PHE H H 150 8.689 8.689 9.133 -0.444 18728 6889 1 7 . 1 1 151 151 VAL N N 151 122.489 122.489 120.882 1.607 18728 6890 1 7 . 1 1 151 151 VAL HA H 151 4.375 4.375 4.577 -0.202 18728 6891 1 7 . 1 1 151 151 VAL C C 151 173.932 173.932 173.729 0.203 18728 6892 1 7 . 1 1 151 151 VAL CA C 151 61.454 61.454 60.515 0.939 18728 6893 1 7 . 1 1 151 151 VAL CB C 151 33.869 33.869 35.229 -1.360 18728 6894 1 7 . 1 1 151 151 VAL H H 151 8.559 8.559 8.476 0.083 18728 6895 1 7 . 1 1 152 152 THR N N 152 123.112 123.112 124.507 -1.395 18728 6896 1 7 . 1 1 152 152 THR HA H 152 4.995 4.995 4.855 0.140 18728 6897 1 7 . 1 1 152 152 THR C C 152 174.047 174.047 173.794 0.253 18728 6898 1 7 . 1 1 152 152 THR CA C 152 61.931 61.931 62.832 -0.901 18728 6899 1 7 . 1 1 152 152 THR CB C 152 69.689 69.689 69.680 0.009 18728 6900 1 7 . 1 1 152 152 THR H H 152 8.723 8.723 8.863 -0.140 18728 6901 1 7 . 1 1 153 153 PHE N N 153 127.746 127.746 126.239 1.507 18728 6902 1 7 . 1 1 153 153 PHE HA H 153 4.840 4.840 4.718 0.122 18728 6903 1 7 . 1 1 153 153 PHE C C 153 174.720 174.720 175.126 -0.406 18728 6904 1 7 . 1 1 153 153 PHE CA C 153 58.098 58.098 58.013 0.085 18728 6905 1 7 . 1 1 153 153 PHE CB C 153 41.706 41.706 41.737 -0.031 18728 6906 1 7 . 1 1 153 153 PHE H H 153 9.368 9.368 9.083 0.285 18728 6907 1 7 . 1 1 154 154 ASP N N 154 118.371 118.371 120.483 -2.112 18728 6908 1 7 . 1 1 154 154 ASP HA H 154 4.486 4.486 4.743 -0.257 18728 6909 1 7 . 1 1 154 154 ASP C C 154 175.668 175.668 175.511 0.157 18728 6910 1 7 . 1 1 154 154 ASP CA C 154 56.114 56.114 56.473 -0.359 18728 6911 1 7 . 1 1 154 154 ASP CB C 154 42.576 42.576 42.619 -0.043 18728 6912 1 7 . 1 1 154 154 ASP H H 154 8.196 8.196 8.951 -0.755 18728 6913 1 7 . 1 1 155 155 ASP N N 155 117.144 117.144 117.681 -0.537 18728 6914 1 7 . 1 1 155 155 ASP HA H 155 4.909 4.909 4.908 0.001 18728 6915 1 7 . 1 1 155 155 ASP C C 155 176.392 176.392 175.534 0.858 18728 6916 1 7 . 1 1 155 155 ASP CA C 155 52.615 52.615 52.630 -0.015 18728 6917 1 7 . 1 1 155 155 ASP CB C 155 44.471 44.471 44.204 0.267 18728 6918 1 7 . 1 1 155 155 ASP H H 155 8.323 8.323 7.614 0.709 18728 6919 1 7 . 1 1 156 156 HIS N N 156 121.508 121.508 119.837 1.671 18728 6920 1 7 . 1 1 156 156 HIS HA H 156 4.336 4.336 4.509 -0.173 18728 6921 1 7 . 1 1 156 156 HIS C C 156 176.855 176.855 175.799 1.056 18728 6922 1 7 . 1 1 156 156 HIS CA C 156 58.593 58.593 57.155 1.438 18728 6923 1 7 . 1 1 156 156 HIS CB C 156 29.703 29.703 29.998 -0.295 18728 6924 1 7 . 1 1 156 156 HIS H H 156 8.492 8.492 8.359 0.133 18728 6925 1 7 . 1 1 157 157 ASP N N 157 122.539 122.539 120.419 2.120 18728 6926 1 7 . 1 1 157 157 ASP HA H 157 4.254 4.254 4.430 -0.176 18728 6927 1 7 . 1 1 157 157 ASP C C 157 178.233 178.233 178.550 -0.317 18728 6928 1 7 . 1 1 157 157 ASP CA C 157 57.047 57.047 57.465 -0.418 18728 6929 1 7 . 1 1 157 157 ASP CB C 157 40.875 40.875 40.386 0.489 18728 6930 1 7 . 1 1 157 157 ASP H H 157 8.345 8.345 8.320 0.025 18728 6931 1 7 . 1 1 158 158 SER N N 158 113.623 113.623 113.681 -0.058 18728 6932 1 7 . 1 1 158 158 SER HA H 158 3.899 3.899 4.194 -0.295 18728 6933 1 7 . 1 1 158 158 SER C C 158 174.750 174.750 175.719 -0.969 18728 6934 1 7 . 1 1 158 158 SER CA C 158 61.914 61.914 61.376 0.538 18728 6935 1 7 . 1 1 158 158 SER CB C 158 63.088 63.088 62.984 0.103 18728 6936 1 7 . 1 1 158 158 SER H H 158 7.424 7.424 8.044 -0.620 18728 6937 1 7 . 1 1 159 159 VAL N N 159 118.448 118.448 122.312 -3.864 18728 6938 1 7 . 1 1 159 159 VAL HA H 159 2.913 2.913 3.291 -0.378 18728 6939 1 7 . 1 1 159 159 VAL C C 159 177.269 177.269 177.331 -0.062 18728 6940 1 7 . 1 1 159 159 VAL CA C 159 66.512 66.512 65.667 0.845 18728 6941 1 7 . 1 1 159 159 VAL CB C 159 31.395 31.395 31.279 0.116 18728 6942 1 7 . 1 1 159 159 VAL H H 159 6.484 6.484 7.282 -0.798 18728 6943 1 7 . 1 1 160 160 ASP N N 160 119.064 119.064 119.758 -0.694 18728 6944 1 7 . 1 1 160 160 ASP HA H 160 4.275 4.275 4.314 -0.039 18728 6945 1 7 . 1 1 160 160 ASP C C 160 178.284 178.284 178.292 -0.008 18728 6946 1 7 . 1 1 160 160 ASP CA C 160 57.798 57.798 57.438 0.360 18728 6947 1 7 . 1 1 160 160 ASP CB C 160 40.288 40.288 40.735 -0.447 18728 6948 1 7 . 1 1 160 160 ASP H H 160 7.663 7.663 8.234 -0.571 18728 6949 1 7 . 1 1 161 161 LYS N N 161 116.568 116.568 118.540 -1.972 18728 6950 1 7 . 1 1 161 161 LYS HA H 161 4.030 4.030 4.027 0.003 18728 6951 1 7 . 1 1 161 161 LYS C C 161 178.205 178.205 178.260 -0.055 18728 6952 1 7 . 1 1 161 161 LYS CA C 161 58.796 58.796 59.322 -0.525 18728 6953 1 7 . 1 1 161 161 LYS CB C 161 33.298 33.298 32.557 0.741 18728 6954 1 7 . 1 1 161 161 LYS H H 161 7.465 7.465 7.663 -0.198 18728 6955 1 7 . 1 1 162 162 ILE N N 162 119.457 119.457 116.361 3.096 18728 6956 1 7 . 1 1 162 162 ILE HA H 162 3.241 3.241 3.567 -0.326 18728 6957 1 7 . 1 1 162 162 ILE C C 162 179.129 179.129 177.748 1.381 18728 6958 1 7 . 1 1 162 162 ILE CA C 162 65.201 65.201 64.147 1.054 18728 6959 1 7 . 1 1 162 162 ILE CB C 162 39.170 39.170 38.069 1.101 18728 6960 1 7 . 1 1 162 162 ILE H H 162 7.367 7.367 6.921 0.446 18728 6961 1 7 . 1 1 163 163 VAL N N 163 109.705 109.705 116.784 -7.079 18728 6962 1 7 . 1 1 163 163 VAL HA H 163 4.093 4.093 4.026 0.067 18728 6963 1 7 . 1 1 163 163 VAL C C 163 176.685 176.685 176.686 -0.001 18728 6964 1 7 . 1 1 163 163 VAL CA C 163 64.137 64.137 64.597 -0.460 18728 6965 1 7 . 1 1 163 163 VAL CB C 163 30.720 30.720 31.259 -0.539 18728 6966 1 7 . 1 1 163 163 VAL H H 163 7.814 7.814 7.603 0.211 18728 6967 1 7 . 1 1 164 164 ILE N N 164 118.885 118.885 118.822 0.063 18728 6968 1 7 . 1 1 164 164 ILE HA H 164 3.968 3.968 3.757 0.211 18728 6969 1 7 . 1 1 164 164 ILE C C 164 176.006 176.006 176.086 -0.080 18728 6970 1 7 . 1 1 164 164 ILE CA C 164 63.328 63.328 63.630 -0.302 18728 6971 1 7 . 1 1 164 164 ILE CB C 164 38.136 38.136 37.990 0.146 18728 6972 1 7 . 1 1 164 164 ILE H H 164 6.979 6.979 7.147 -0.168 18728 6973 1 7 . 1 1 165 165 GLN N N 165 120.509 120.509 116.396 4.113 18728 6974 1 7 . 1 1 165 165 GLN HA H 165 4.472 4.472 4.542 -0.070 18728 6975 1 7 . 1 1 165 165 GLN C C 165 174.808 174.808 175.536 -0.728 18728 6976 1 7 . 1 1 165 165 GLN CA C 165 54.743 54.743 54.854 -0.111 18728 6977 1 7 . 1 1 165 165 GLN CB C 165 30.183 30.183 30.245 -0.062 18728 6978 1 7 . 1 1 165 165 GLN H H 165 7.490 7.490 7.697 -0.207 18728 6979 1 7 . 1 1 166 166 LYS N N 166 122.953 122.953 120.702 2.251 18728 6980 1 7 . 1 1 166 166 LYS HA H 166 3.992 3.992 4.189 -0.197 18728 6981 1 7 . 1 1 166 166 LYS C C 166 175.496 175.496 175.162 0.334 18728 6982 1 7 . 1 1 166 166 LYS CA C 166 59.718 59.718 56.894 2.824 18728 6983 1 7 . 1 1 166 166 LYS CB C 166 33.115 33.115 33.702 -0.587 18728 6984 1 7 . 1 1 166 166 LYS H H 166 8.085 8.085 8.611 -0.526 18728 6985 1 7 . 1 1 167 167 TYR N N 167 114.210 114.210 116.089 -1.879 18728 6986 1 7 . 1 1 167 167 TYR HA H 167 5.457 5.457 5.433 0.024 18728 6987 1 7 . 1 1 167 167 TYR C C 167 175.593 175.593 175.535 0.058 18728 6988 1 7 . 1 1 167 167 TYR CA C 167 56.417 56.417 56.796 -0.379 18728 6989 1 7 . 1 1 167 167 TYR CB C 167 40.057 40.057 41.018 -0.961 18728 6990 1 7 . 1 1 167 167 TYR H H 167 7.740 7.740 7.661 0.079 18728 6991 1 7 . 1 1 168 168 HIS N N 168 122.617 122.617 122.540 0.077 18728 6992 1 7 . 1 1 168 168 HIS HA H 168 4.526 4.526 5.053 -0.527 18728 6993 1 7 . 1 1 168 168 HIS C C 168 174.213 174.213 174.540 -0.327 18728 6994 1 7 . 1 1 168 168 HIS CA C 168 55.233 55.233 55.120 0.113 18728 6995 1 7 . 1 1 168 168 HIS CB C 168 34.906 34.906 33.985 0.921 18728 6996 1 7 . 1 1 168 168 HIS H H 168 9.035 9.035 9.387 -0.352 18728 6997 1 7 . 1 1 169 169 THR N N 169 121.981 121.981 120.825 1.156 18728 6998 1 7 . 1 1 169 169 THR HA H 169 4.722 4.722 4.646 0.076 18728 6999 1 7 . 1 1 169 169 THR C C 169 172.973 172.973 173.506 -0.533 18728 7000 1 7 . 1 1 169 169 THR CA C 169 61.620 61.620 62.516 -0.896 18728 7001 1 7 . 1 1 169 169 THR CB C 169 68.692 68.692 68.752 -0.060 18728 7002 1 7 . 1 1 169 169 THR H H 169 8.784 8.784 8.591 0.193 18728 7003 1 7 . 1 1 170 170 VAL N N 170 125.540 125.540 126.666 -1.126 18728 7004 1 7 . 1 1 170 170 VAL HA H 170 3.751 3.751 3.879 -0.128 18728 7005 1 7 . 1 1 170 170 VAL C C 170 175.997 175.997 175.847 0.150 18728 7006 1 7 . 1 1 170 170 VAL CA C 170 60.770 60.770 60.605 0.165 18728 7007 1 7 . 1 1 170 170 VAL CB C 170 34.216 34.216 33.906 0.310 18728 7008 1 7 . 1 1 170 170 VAL H H 170 8.268 8.268 8.724 -0.456 18728 7009 1 7 . 1 1 171 171 ASN N N 171 126.811 126.811 126.124 0.687 18728 7010 1 7 . 1 1 171 171 ASN HA H 171 4.065 4.065 4.276 -0.211 18728 7011 1 7 . 1 1 171 171 ASN C C 171 174.266 174.266 175.363 -1.097 18728 7012 1 7 . 1 1 171 171 ASN CA C 171 53.184 53.184 53.471 -0.287 18728 7013 1 7 . 1 1 171 171 ASN CB C 171 37.436 37.436 37.426 0.010 18728 7014 1 7 . 1 1 171 171 ASN H H 171 9.437 9.437 8.996 0.441 18728 7015 1 7 . 1 1 172 172 GLY N N 172 100.629 100.629 103.120 -2.491 18728 7016 1 7 . 1 1 172 172 GLY C C 172 173.335 173.335 173.744 -0.409 18728 7017 1 7 . 1 1 172 172 GLY CA C 172 45.154 45.154 45.583 -0.429 18728 7018 1 7 . 1 1 172 172 GLY H H 172 8.194 8.194 8.413 -0.219 18728 7019 1 7 . 1 1 173 173 HIS N N 173 119.555 119.555 119.434 0.121 18728 7020 1 7 . 1 1 173 173 HIS HA H 173 4.860 4.860 4.762 0.098 18728 7021 1 7 . 1 1 173 173 HIS CA C 173 53.723 53.723 54.512 -0.789 18728 7022 1 7 . 1 1 173 173 HIS CB C 173 31.589 31.589 32.475 -0.886 18728 7023 1 7 . 1 1 173 173 HIS H H 173 7.657 7.657 7.711 -0.054 18728 7024 1 7 . 1 1 174 174 ASN N N 174 122.936 122.936 126.455 -3.519 18728 7025 1 7 . 1 1 174 174 ASN HA H 174 4.794 4.794 4.801 -0.007 18728 7026 1 7 . 1 1 174 174 ASN C C 174 174.918 174.918 174.345 0.573 18728 7027 1 7 . 1 1 174 174 ASN CA C 174 53.748 53.748 54.152 -0.404 18728 7028 1 7 . 1 1 174 174 ASN CB C 174 38.185 38.185 38.019 0.166 18728 7029 1 7 . 1 1 174 174 ASN H H 174 8.828 8.828 8.329 0.499 18728 7030 1 7 . 1 1 175 175 CYS N N 175 126.425 126.425 123.043 3.382 18728 7031 1 7 . 1 1 175 175 CYS HA H 175 4.872 4.872 4.693 0.179 18728 7032 1 7 . 1 1 175 175 CYS C C 175 173.853 173.853 173.902 -0.049 18728 7033 1 7 . 1 1 175 175 CYS CA C 175 59.380 59.380 57.295 2.085 18728 7034 1 7 . 1 1 175 175 CYS CB C 175 29.966 29.966 30.389 -0.423 18728 7035 1 7 . 1 1 175 175 CYS H H 175 9.078 9.078 9.034 0.044 18728 7036 1 7 . 1 1 176 176 GLU N N 176 124.488 124.488 123.019 1.469 18728 7037 1 7 . 1 1 176 176 GLU HA H 176 4.661 4.661 4.808 -0.147 18728 7038 1 7 . 1 1 176 176 GLU C C 176 175.343 175.343 175.290 0.053 18728 7039 1 7 . 1 1 176 176 GLU CA C 176 55.296 55.296 55.909 -0.613 18728 7040 1 7 . 1 1 176 176 GLU CB C 176 31.550 31.550 31.081 0.469 18728 7041 1 7 . 1 1 176 176 GLU H H 176 8.161 8.161 9.134 -0.973 18728 7042 1 7 . 1 1 177 177 VAL N N 177 122.521 122.521 125.945 -3.424 18728 7043 1 7 . 1 1 177 177 VAL HA H 177 5.628 5.628 5.485 0.143 18728 7044 1 7 . 1 1 177 177 VAL C C 177 175.720 175.720 174.448 1.272 18728 7045 1 7 . 1 1 177 177 VAL CA C 177 59.713 59.713 60.500 -0.787 18728 7046 1 7 . 1 1 177 177 VAL CB C 177 34.523 34.523 35.104 -0.581 18728 7047 1 7 . 1 1 177 177 VAL H H 177 8.684 8.684 8.888 -0.204 18728 7048 1 7 . 1 1 178 178 ARG N N 178 119.915 119.915 121.538 -1.623 18728 7049 1 7 . 1 1 178 178 ARG HA H 178 4.746 4.746 4.742 0.004 18728 7050 1 7 . 1 1 178 178 ARG C C 178 175.689 175.689 174.687 1.002 18728 7051 1 7 . 1 1 178 178 ARG CA C 178 54.212 54.212 54.391 -0.179 18728 7052 1 7 . 1 1 178 178 ARG CB C 178 34.184 34.184 33.297 0.887 18728 7053 1 7 . 1 1 178 178 ARG H H 178 8.701 8.701 8.685 0.016 18728 7054 1 7 . 1 1 179 179 LYS N N 179 121.001 121.001 121.021 -0.020 18728 7055 1 7 . 1 1 179 179 LYS HA H 179 4.098 4.098 4.206 -0.108 18728 7056 1 7 . 1 1 179 179 LYS C C 179 176.026 176.026 176.112 -0.086 18728 7057 1 7 . 1 1 179 179 LYS CA C 179 59.027 59.027 56.517 2.510 18728 7058 1 7 . 1 1 179 179 LYS CB C 179 33.377 33.377 31.493 1.884 18728 7059 1 7 . 1 1 179 179 LYS H H 179 8.990 8.990 8.488 0.502 18728 7060 1 7 . 1 1 180 180 ALA N N 180 126.810 126.810 129.122 -2.312 18728 7061 1 7 . 1 1 180 180 ALA HA H 180 4.565 4.565 4.628 -0.063 18728 7062 1 7 . 1 1 180 180 ALA C C 180 175.318 175.318 176.099 -0.781 18728 7063 1 7 . 1 1 180 180 ALA CA C 180 51.432 51.432 51.042 0.390 18728 7064 1 7 . 1 1 180 180 ALA CB C 180 19.201 19.201 20.008 -0.807 18728 7065 1 7 . 1 1 180 180 ALA H H 180 8.378 8.378 8.501 -0.123 18728 7066 1 7 . 1 1 181 181 LEU N N 181 122.300 122.300 124.292 -1.992 18728 7067 1 7 . 1 1 181 181 LEU HA H 181 4.401 4.401 4.449 -0.048 18728 7068 1 7 . 1 1 181 181 LEU CA C 181 54.737 54.737 54.010 0.727 18728 7069 1 7 . 1 1 181 181 LEU CB C 181 43.199 43.199 43.268 -0.069 18728 7070 1 7 . 1 1 181 181 LEU H H 181 8.001 8.001 8.318 -0.317 18728 7071 1 7 . 1 1 182 182 SER HA H 182 4.406 4.406 4.423 -0.017 18728 7072 1 7 . 1 1 182 182 SER CA C 182 58.100 58.100 57.399 0.701 18728 7073 1 7 . 1 1 182 182 SER CB C 182 64.440 64.440 63.928 0.512 18728 7074 1 7 . 1 1 183 183 LYS HA H 183 4.101 4.101 3.963 0.138 18728 7075 1 7 . 1 1 183 183 LYS C C 183 177.343 177.343 178.611 -1.268 18728 7076 1 7 . 1 1 183 183 LYS CA C 183 57.744 57.744 59.590 -1.845 18728 7077 1 7 . 1 1 183 183 LYS CB C 183 32.586 32.586 32.293 0.293 18728 7078 1 7 . 1 1 184 184 GLN N N 184 120.056 120.056 117.945 2.111 18728 7079 1 7 . 1 1 184 184 GLN HA H 184 4.167 4.167 4.171 -0.004 18728 7080 1 7 . 1 1 184 184 GLN C C 184 176.718 176.718 178.338 -1.620 18728 7081 1 7 . 1 1 184 184 GLN CA C 184 56.981 56.981 59.448 -2.467 18728 7082 1 7 . 1 1 184 184 GLN CB C 184 28.990 28.990 27.784 1.206 18728 7083 1 7 . 1 1 184 184 GLN H H 184 8.320 8.320 8.576 -0.256 18728 7084 1 7 . 1 1 185 185 GLU N N 185 121.610 121.610 120.041 1.569 18728 7085 1 7 . 1 1 185 185 GLU HA H 185 4.132 4.132 4.120 0.012 18728 7086 1 7 . 1 1 185 185 GLU C C 185 177.117 177.117 179.046 -1.929 18728 7087 1 7 . 1 1 185 185 GLU CA C 185 57.234 57.234 59.151 -1.917 18728 7088 1 7 . 1 1 185 185 GLU CB C 185 30.235 30.235 28.705 1.530 18728 7089 1 7 . 1 1 185 185 GLU H H 185 8.143 8.143 8.611 -0.468 18728 7090 1 7 . 1 1 186 186 MET N N 186 120.092 120.092 118.156 1.936 18728 7091 1 7 . 1 1 186 186 MET HA H 186 4.289 4.289 4.170 0.119 18728 7092 1 7 . 1 1 186 186 MET C C 186 176.438 176.438 178.618 -2.180 18728 7093 1 7 . 1 1 186 186 MET CA C 186 56.069 56.069 58.840 -2.771 18728 7094 1 7 . 1 1 186 186 MET CB C 186 32.847 32.847 32.766 0.082 18728 7095 1 7 . 1 1 186 186 MET H H 186 8.195 8.195 8.133 0.062 18728 7096 1 7 . 1 1 187 187 ALA N N 187 124.104 124.104 120.596 3.508 18728 7097 1 7 . 1 1 187 187 ALA HA H 187 4.297 4.297 4.228 0.069 18728 7098 1 7 . 1 1 187 187 ALA C C 187 178.107 178.107 177.665 0.442 18728 7099 1 7 . 1 1 187 187 ALA CA C 187 52.912 52.912 52.954 -0.042 18728 7100 1 7 . 1 1 187 187 ALA CB C 187 19.060 19.060 18.450 0.611 18728 7101 1 7 . 1 1 187 187 ALA H H 187 8.060 8.060 7.995 0.065 18728 7102 1 7 . 1 1 188 188 SER N N 188 114.374 114.374 112.319 2.055 18728 7103 1 7 . 1 1 188 188 SER HA H 188 4.357 4.357 4.061 0.296 18728 7104 1 7 . 1 1 188 188 SER C C 188 174.757 174.757 173.290 1.467 18728 7105 1 7 . 1 1 188 188 SER CA C 188 58.598 58.598 59.263 -0.665 18728 7106 1 7 . 1 1 188 188 SER CB C 188 63.734 63.734 60.711 3.023 18728 7107 1 7 . 1 1 188 188 SER H H 188 8.173 8.173 7.650 0.523 18728 7108 1 7 . 1 1 189 189 ALA N N 189 125.637 125.637 122.886 2.751 18728 7109 1 7 . 1 1 189 189 ALA HA H 189 4.246 4.246 4.594 -0.348 18728 7110 1 7 . 1 1 189 189 ALA CA C 189 53.015 53.015 50.967 2.048 18728 7111 1 7 . 1 1 189 189 ALA CB C 189 19.069 19.069 20.555 -1.486 18728 7112 1 7 . 1 1 189 189 ALA H H 189 8.207 8.207 8.037 0.170 18728 7113 1 8 . 1 1 5 5 GLU N N 5 122.509 122.509 123.844 -1.335 18728 7114 1 8 . 1 1 5 5 GLU HA H 5 4.345 4.345 4.474 -0.129 18728 7115 1 8 . 1 1 5 5 GLU C C 5 176.240 176.240 175.441 0.799 18728 7116 1 8 . 1 1 5 5 GLU CA C 5 56.190 56.190 56.023 0.167 18728 7117 1 8 . 1 1 5 5 GLU CB C 5 30.611 30.611 28.952 1.659 18728 7118 1 8 . 1 1 5 5 GLU H H 5 8.321 8.321 8.311 0.010 18728 7119 1 8 . 1 1 6 6 SER N N 6 118.728 118.728 120.689 -1.961 18728 7120 1 8 . 1 1 6 6 SER HA H 6 4.342 4.342 4.756 -0.414 18728 7121 1 8 . 1 1 6 6 SER CA C 6 56.305 56.305 56.124 0.181 18728 7122 1 8 . 1 1 6 6 SER CB C 6 63.241 63.241 63.267 -0.026 18728 7123 1 8 . 1 1 6 6 SER H H 6 8.349 8.349 8.105 0.244 18728 7124 1 8 . 1 1 7 7 PRO HA H 7 4.427 4.427 4.683 -0.256 18728 7125 1 8 . 1 1 7 7 PRO C C 7 177.027 177.027 175.740 1.287 18728 7126 1 8 . 1 1 7 7 PRO CA C 7 63.271 63.271 62.417 0.854 18728 7127 1 8 . 1 1 7 7 PRO CB C 7 32.111 32.111 33.882 -1.771 18728 7128 1 8 . 1 1 8 8 LYS N N 8 121.819 121.819 117.148 4.671 18728 7129 1 8 . 1 1 8 8 LYS HA H 8 4.290 4.290 4.451 -0.161 18728 7130 1 8 . 1 1 8 8 LYS C C 8 177.015 177.015 176.216 0.799 18728 7131 1 8 . 1 1 8 8 LYS CA C 8 56.455 56.455 55.993 0.462 18728 7132 1 8 . 1 1 8 8 LYS CB C 8 33.341 33.341 32.638 0.703 18728 7133 1 8 . 1 1 8 8 LYS H H 8 8.445 8.445 8.422 0.023 18728 7134 1 8 . 1 1 9 9 GLU N N 9 121.243 121.243 122.142 -0.899 18728 7135 1 8 . 1 1 9 9 GLU HA H 9 4.606 4.606 4.517 0.089 18728 7136 1 8 . 1 1 9 9 GLU CA C 9 54.480 54.480 54.191 0.289 18728 7137 1 8 . 1 1 9 9 GLU CB C 9 29.572 29.572 29.295 0.277 18728 7138 1 8 . 1 1 9 9 GLU H H 9 8.313 8.313 7.952 0.361 18728 7139 1 8 . 1 1 10 10 PRO HA H 10 4.335 4.335 4.357 -0.022 18728 7140 1 8 . 1 1 10 10 PRO C C 10 177.491 177.491 177.993 -0.502 18728 7141 1 8 . 1 1 10 10 PRO CA C 10 63.587 63.587 62.360 1.227 18728 7142 1 8 . 1 1 10 10 PRO CB C 10 32.374 32.374 32.593 -0.219 18728 7143 1 8 . 1 1 11 11 GLU N N 11 123.071 123.071 122.021 1.050 18728 7144 1 8 . 1 1 11 11 GLU HA H 11 3.686 3.686 3.928 -0.242 18728 7145 1 8 . 1 1 11 11 GLU C C 11 177.984 177.984 177.964 0.020 18728 7146 1 8 . 1 1 11 11 GLU CA C 11 59.651 59.651 59.994 -0.343 18728 7147 1 8 . 1 1 11 11 GLU CB C 11 29.819 29.819 28.616 1.203 18728 7148 1 8 . 1 1 11 11 GLU H H 11 8.692 8.692 8.895 -0.203 18728 7149 1 8 . 1 1 12 12 GLN N N 12 116.079 116.079 116.089 -0.010 18728 7150 1 8 . 1 1 12 12 GLN HA H 12 3.979 3.979 4.150 -0.171 18728 7151 1 8 . 1 1 12 12 GLN C C 12 177.579 177.579 176.992 0.587 18728 7152 1 8 . 1 1 12 12 GLN CA C 12 58.526 58.526 58.320 0.206 18728 7153 1 8 . 1 1 12 12 GLN CB C 12 28.112 28.112 28.232 -0.120 18728 7154 1 8 . 1 1 12 12 GLN H H 12 8.647 8.647 8.381 0.266 18728 7155 1 8 . 1 1 13 13 LEU N N 13 116.530 116.530 116.994 -0.464 18728 7156 1 8 . 1 1 13 13 LEU HA H 13 4.264 4.264 4.458 -0.194 18728 7157 1 8 . 1 1 13 13 LEU C C 13 177.080 177.080 177.788 -0.708 18728 7158 1 8 . 1 1 13 13 LEU CA C 13 55.945 55.945 55.386 0.559 18728 7159 1 8 . 1 1 13 13 LEU CB C 13 42.317 42.317 42.405 -0.088 18728 7160 1 8 . 1 1 13 13 LEU H H 13 7.471 7.471 7.602 -0.131 18728 7161 1 8 . 1 1 14 14 ARG N N 14 116.981 116.981 114.733 2.248 18728 7162 1 8 . 1 1 14 14 ARG HA H 14 4.417 4.417 4.539 -0.122 18728 7163 1 8 . 1 1 14 14 ARG C C 14 172.996 172.996 175.696 -2.700 18728 7164 1 8 . 1 1 14 14 ARG CA C 14 56.067 56.067 55.595 0.472 18728 7165 1 8 . 1 1 14 14 ARG CB C 14 29.944 29.944 31.286 -1.342 18728 7166 1 8 . 1 1 14 14 ARG H H 14 7.576 7.576 7.537 0.039 18728 7167 1 8 . 1 1 15 15 LYS N N 15 119.990 119.990 122.197 -2.207 18728 7168 1 8 . 1 1 15 15 LYS HA H 15 5.198 5.198 5.219 -0.021 18728 7169 1 8 . 1 1 15 15 LYS CA C 15 55.301 55.301 55.382 -0.081 18728 7170 1 8 . 1 1 15 15 LYS CB C 15 35.888 35.888 35.379 0.509 18728 7171 1 8 . 1 1 15 15 LYS H H 15 6.946 6.946 8.069 -1.123 18728 7172 1 8 . 1 1 16 16 LEU N N 16 126.081 126.081 123.525 2.556 18728 7173 1 8 . 1 1 16 16 LEU HA H 16 5.016 5.016 5.219 -0.203 18728 7174 1 8 . 1 1 16 16 LEU C C 16 176.309 176.309 175.624 0.685 18728 7175 1 8 . 1 1 16 16 LEU CA C 16 53.334 53.334 53.097 0.237 18728 7176 1 8 . 1 1 16 16 LEU CB C 16 45.062 45.062 45.733 -0.671 18728 7177 1 8 . 1 1 16 16 LEU H H 16 9.605 9.605 8.986 0.619 18728 7178 1 8 . 1 1 17 17 PHE N N 17 123.569 123.569 125.009 -1.440 18728 7179 1 8 . 1 1 17 17 PHE HA H 17 4.585 4.585 5.137 -0.552 18728 7180 1 8 . 1 1 17 17 PHE C C 17 174.362 174.362 174.115 0.247 18728 7181 1 8 . 1 1 17 17 PHE CA C 17 57.153 57.153 55.928 1.225 18728 7182 1 8 . 1 1 17 17 PHE CB C 17 40.603 40.603 40.696 -0.093 18728 7183 1 8 . 1 1 17 17 PHE H H 17 9.023 9.023 9.397 -0.374 18728 7184 1 8 . 1 1 18 18 ILE N N 18 126.932 126.932 128.556 -1.624 18728 7185 1 8 . 1 1 18 18 ILE HA H 18 4.029 4.029 4.268 -0.239 18728 7186 1 8 . 1 1 18 18 ILE C C 18 173.832 173.832 174.903 -1.071 18728 7187 1 8 . 1 1 18 18 ILE CA C 18 59.156 59.156 58.155 1.001 18728 7188 1 8 . 1 1 18 18 ILE CB C 18 36.909 36.909 36.603 0.306 18728 7189 1 8 . 1 1 18 18 ILE H H 18 8.486 8.486 8.580 -0.094 18728 7190 1 8 . 1 1 19 19 GLY N N 19 112.953 112.953 112.605 0.348 18728 7191 1 8 . 1 1 19 19 GLY C C 19 174.426 174.426 173.743 0.683 18728 7192 1 8 . 1 1 19 19 GLY CA C 19 43.611 43.611 43.060 0.551 18728 7193 1 8 . 1 1 19 19 GLY H H 19 7.948 7.948 8.665 -0.717 18728 7194 1 8 . 1 1 20 20 GLY N N 20 107.584 107.584 109.871 -2.287 18728 7195 1 8 . 1 1 20 20 GLY C C 20 175.563 175.563 174.434 1.129 18728 7196 1 8 . 1 1 20 20 GLY CA C 20 46.530 46.530 45.088 1.442 18728 7197 1 8 . 1 1 20 20 GLY H H 20 8.542 8.542 8.074 0.468 18728 7198 1 8 . 1 1 21 21 LEU N N 21 115.232 115.232 119.018 -3.786 18728 7199 1 8 . 1 1 21 21 LEU HA H 21 4.025 4.025 4.139 -0.114 18728 7200 1 8 . 1 1 21 21 LEU C C 21 179.121 179.121 175.588 3.533 18728 7201 1 8 . 1 1 21 21 LEU CA C 21 54.192 54.192 54.699 -0.507 18728 7202 1 8 . 1 1 21 21 LEU CB C 21 42.892 42.892 42.722 0.170 18728 7203 1 8 . 1 1 21 21 LEU H H 21 7.472 7.472 8.052 -0.580 18728 7204 1 8 . 1 1 22 22 SER N N 22 114.737 114.737 113.636 1.101 18728 7205 1 8 . 1 1 22 22 SER HA H 22 4.125 4.125 4.381 -0.256 18728 7206 1 8 . 1 1 22 22 SER C C 22 177.842 177.842 176.390 1.452 18728 7207 1 8 . 1 1 22 22 SER CA C 22 57.635 57.635 56.759 0.876 18728 7208 1 8 . 1 1 22 22 SER CB C 22 63.106 63.106 64.645 -1.539 18728 7209 1 8 . 1 1 22 22 SER H H 22 9.136 9.136 7.817 1.319 18728 7210 1 8 . 1 1 23 23 PHE N N 23 128.194 128.194 120.626 7.568 18728 7211 1 8 . 1 1 23 23 PHE HA H 23 4.307 4.307 4.786 -0.479 18728 7212 1 8 . 1 1 23 23 PHE C C 23 175.626 175.626 176.249 -0.623 18728 7213 1 8 . 1 1 23 23 PHE CA C 23 60.205 60.205 59.419 0.786 18728 7214 1 8 . 1 1 23 23 PHE CB C 23 37.570 37.570 38.973 -1.403 18728 7215 1 8 . 1 1 23 23 PHE H H 23 9.034 9.034 8.875 0.159 18728 7216 1 8 . 1 1 24 24 GLU N N 24 116.093 116.093 116.286 -0.193 18728 7217 1 8 . 1 1 24 24 GLU HA H 24 4.255 4.255 4.631 -0.376 18728 7218 1 8 . 1 1 24 24 GLU C C 24 177.429 177.429 175.531 1.898 18728 7219 1 8 . 1 1 24 24 GLU CA C 24 56.522 56.522 55.260 1.262 18728 7220 1 8 . 1 1 24 24 GLU CB C 24 29.980 29.980 30.631 -0.652 18728 7221 1 8 . 1 1 24 24 GLU H H 24 8.295 8.295 7.536 0.759 18728 7222 1 8 . 1 1 25 25 THR N N 25 118.836 118.836 118.239 0.597 18728 7223 1 8 . 1 1 25 25 THR HA H 25 4.091 4.091 4.573 -0.482 18728 7224 1 8 . 1 1 25 25 THR C C 25 174.238 174.238 174.591 -0.353 18728 7225 1 8 . 1 1 25 25 THR CA C 25 64.862 64.862 64.224 0.638 18728 7226 1 8 . 1 1 25 25 THR CB C 25 68.584 68.584 69.507 -0.923 18728 7227 1 8 . 1 1 25 25 THR H H 25 7.280 7.280 7.363 -0.083 18728 7228 1 8 . 1 1 26 26 THR N N 26 119.434 119.434 118.353 1.081 18728 7229 1 8 . 1 1 26 26 THR HA H 26 4.484 4.484 4.662 -0.178 18728 7230 1 8 . 1 1 26 26 THR C C 26 174.563 174.563 175.303 -0.740 18728 7231 1 8 . 1 1 26 26 THR CA C 26 59.361 59.361 59.724 -0.363 18728 7232 1 8 . 1 1 26 26 THR CB C 26 72.727 72.727 71.757 0.970 18728 7233 1 8 . 1 1 26 26 THR H H 26 8.447 8.447 7.996 0.451 18728 7234 1 8 . 1 1 27 27 ASP N N 27 120.342 120.342 120.083 0.259 18728 7235 1 8 . 1 1 27 27 ASP HA H 27 3.920 3.920 4.352 -0.432 18728 7236 1 8 . 1 1 27 27 ASP C C 27 178.347 178.347 177.843 0.504 18728 7237 1 8 . 1 1 27 27 ASP CA C 27 58.148 58.148 56.796 1.352 18728 7238 1 8 . 1 1 27 27 ASP CB C 27 39.954 39.954 40.566 -0.612 18728 7239 1 8 . 1 1 27 27 ASP H H 27 8.794 8.794 8.795 -0.001 18728 7240 1 8 . 1 1 28 28 GLU N N 28 116.494 116.494 118.438 -1.944 18728 7241 1 8 . 1 1 28 28 GLU HA H 28 3.993 3.993 4.205 -0.212 18728 7242 1 8 . 1 1 28 28 GLU C C 28 178.987 178.987 178.535 0.452 18728 7243 1 8 . 1 1 28 28 GLU CA C 28 60.281 60.281 58.851 1.430 18728 7244 1 8 . 1 1 28 28 GLU CB C 28 29.193 29.193 29.194 -0.001 18728 7245 1 8 . 1 1 28 28 GLU H H 28 8.444 8.444 8.927 -0.483 18728 7246 1 8 . 1 1 29 29 SER N N 29 120.532 120.532 116.476 4.056 18728 7247 1 8 . 1 1 29 29 SER HA H 29 4.333 4.333 4.334 -0.001 18728 7248 1 8 . 1 1 29 29 SER C C 29 178.125 178.125 176.637 1.488 18728 7249 1 8 . 1 1 29 29 SER CA C 29 61.720 61.720 60.896 0.824 18728 7250 1 8 . 1 1 29 29 SER H H 29 8.384 8.384 7.644 0.740 18728 7251 1 8 . 1 1 30 30 LEU N N 30 126.754 126.754 124.331 2.423 18728 7252 1 8 . 1 1 30 30 LEU HA H 30 4.080 4.080 4.170 -0.090 18728 7253 1 8 . 1 1 30 30 LEU C C 30 178.341 178.341 177.995 0.346 18728 7254 1 8 . 1 1 30 30 LEU CA C 30 58.073 58.073 57.971 0.102 18728 7255 1 8 . 1 1 30 30 LEU CB C 30 42.524 42.524 41.764 0.760 18728 7256 1 8 . 1 1 30 30 LEU H H 30 8.487 8.487 7.974 0.513 18728 7257 1 8 . 1 1 31 31 ARG N N 31 121.192 121.192 118.717 2.475 18728 7258 1 8 . 1 1 31 31 ARG HA H 31 3.863 3.863 3.881 -0.018 18728 7259 1 8 . 1 1 31 31 ARG C C 31 177.765 177.765 178.228 -0.463 18728 7260 1 8 . 1 1 31 31 ARG CA C 31 59.706 59.706 60.200 -0.494 18728 7261 1 8 . 1 1 31 31 ARG CB C 31 30.648 30.648 30.009 0.639 18728 7262 1 8 . 1 1 31 31 ARG H H 31 7.980 7.980 8.129 -0.149 18728 7263 1 8 . 1 1 32 32 SER N N 32 112.868 112.868 113.157 -0.289 18728 7264 1 8 . 1 1 32 32 SER HA H 32 4.104 4.104 4.391 -0.287 18728 7265 1 8 . 1 1 32 32 SER C C 32 176.416 176.416 176.095 0.321 18728 7266 1 8 . 1 1 32 32 SER CA C 32 61.437 61.437 61.247 0.190 18728 7267 1 8 . 1 1 32 32 SER CB C 32 62.933 62.933 62.994 -0.061 18728 7268 1 8 . 1 1 32 32 SER H H 32 8.295 8.295 7.981 0.314 18728 7269 1 8 . 1 1 33 33 HIS N N 33 115.910 115.910 120.922 -5.012 18728 7270 1 8 . 1 1 33 33 HIS HA H 33 4.346 4.346 4.356 -0.010 18728 7271 1 8 . 1 1 33 33 HIS C C 33 177.510 177.510 177.667 -0.157 18728 7272 1 8 . 1 1 33 33 HIS CA C 33 60.373 60.373 59.674 0.699 18728 7273 1 8 . 1 1 33 33 HIS CB C 33 30.776 30.776 30.023 0.753 18728 7274 1 8 . 1 1 33 33 HIS H H 33 7.406 7.406 7.830 -0.424 18728 7275 1 8 . 1 1 34 34 PHE N N 34 113.562 113.562 118.666 -5.104 18728 7276 1 8 . 1 1 34 34 PHE HA H 34 4.526 4.526 4.821 -0.295 18728 7277 1 8 . 1 1 34 34 PHE C C 34 179.061 179.061 178.203 0.858 18728 7278 1 8 . 1 1 34 34 PHE CA C 34 64.104 64.104 61.537 2.567 18728 7279 1 8 . 1 1 34 34 PHE CB C 34 38.379 38.379 39.001 -0.622 18728 7280 1 8 . 1 1 34 34 PHE H H 34 8.227 8.227 8.192 0.035 18728 7281 1 8 . 1 1 35 35 GLU N N 35 124.490 124.490 120.186 4.304 18728 7282 1 8 . 1 1 35 35 GLU HA H 35 4.962 4.962 4.330 0.632 18728 7283 1 8 . 1 1 35 35 GLU C C 35 176.476 176.476 177.743 -1.267 18728 7284 1 8 . 1 1 35 35 GLU CA C 35 57.950 57.950 58.882 -0.932 18728 7285 1 8 . 1 1 35 35 GLU CB C 35 28.690 28.690 29.126 -0.436 18728 7286 1 8 . 1 1 35 35 GLU H H 35 9.219 9.219 8.390 0.829 18728 7287 1 8 . 1 1 36 36 GLN N N 36 116.596 116.596 116.736 -0.140 18728 7288 1 8 . 1 1 36 36 GLN HA H 36 3.706 3.706 3.965 -0.259 18728 7289 1 8 . 1 1 36 36 GLN C C 36 176.486 176.486 177.434 -0.948 18728 7290 1 8 . 1 1 36 36 GLN CA C 36 58.206 58.206 57.604 0.602 18728 7291 1 8 . 1 1 36 36 GLN CB C 36 27.731 27.731 28.240 -0.509 18728 7292 1 8 . 1 1 36 36 GLN H H 36 7.011 7.011 7.544 -0.533 18728 7293 1 8 . 1 1 37 37 TRP N N 37 114.690 114.690 117.468 -2.778 18728 7294 1 8 . 1 1 37 37 TRP HA H 37 4.481 4.481 4.875 -0.394 18728 7295 1 8 . 1 1 37 37 TRP C C 37 173.662 173.662 176.483 -2.821 18728 7296 1 8 . 1 1 37 37 TRP CA C 37 61.557 61.557 58.491 3.066 18728 7297 1 8 . 1 1 37 37 TRP CB C 37 29.074 29.074 31.359 -2.285 18728 7298 1 8 . 1 1 37 37 TRP H H 37 7.017 7.017 7.813 -0.796 18728 7299 1 8 . 1 1 38 38 GLY N N 38 105.060 105.060 104.477 0.583 18728 7300 1 8 . 1 1 38 38 GLY C C 38 171.596 171.596 172.347 -0.751 18728 7301 1 8 . 1 1 38 38 GLY CA C 38 45.545 45.545 45.590 -0.045 18728 7302 1 8 . 1 1 38 38 GLY H H 38 7.294 7.294 7.748 -0.454 18728 7303 1 8 . 1 1 39 39 THR N N 39 117.179 117.179 119.468 -2.289 18728 7304 1 8 . 1 1 39 39 THR HA H 39 4.231 4.231 4.279 -0.048 18728 7305 1 8 . 1 1 39 39 THR C C 39 173.760 173.760 174.187 -0.427 18728 7306 1 8 . 1 1 39 39 THR CA C 39 62.904 62.904 64.124 -1.220 18728 7307 1 8 . 1 1 39 39 THR CB C 39 69.813 69.813 69.264 0.549 18728 7308 1 8 . 1 1 39 39 THR H H 39 8.770 8.770 8.877 -0.107 18728 7309 1 8 . 1 1 40 40 LEU N N 40 126.702 126.702 128.331 -1.629 18728 7310 1 8 . 1 1 40 40 LEU HA H 40 4.943 4.943 4.574 0.369 18728 7311 1 8 . 1 1 40 40 LEU C C 40 178.358 178.358 176.952 1.406 18728 7312 1 8 . 1 1 40 40 LEU CA C 40 52.969 52.969 54.336 -1.367 18728 7313 1 8 . 1 1 40 40 LEU CB C 40 41.893 41.893 42.555 -0.662 18728 7314 1 8 . 1 1 40 40 LEU H H 40 8.831 8.831 8.687 0.144 18728 7315 1 8 . 1 1 41 41 THR N N 41 117.175 117.175 116.295 0.880 18728 7316 1 8 . 1 1 41 41 THR HA H 41 4.197 4.197 4.438 -0.241 18728 7317 1 8 . 1 1 41 41 THR C C 41 175.050 175.050 174.400 0.650 18728 7318 1 8 . 1 1 41 41 THR CA C 41 62.668 62.668 61.976 0.692 18728 7319 1 8 . 1 1 41 41 THR CB C 41 67.618 67.618 70.274 -2.656 18728 7320 1 8 . 1 1 41 41 THR H H 41 8.926 8.926 9.051 -0.125 18728 7321 1 8 . 1 1 42 42 ASP N N 42 118.764 118.764 119.779 -1.015 18728 7322 1 8 . 1 1 42 42 ASP HA H 42 4.620 4.620 4.872 -0.252 18728 7323 1 8 . 1 1 42 42 ASP C C 42 174.637 174.637 173.424 1.213 18728 7324 1 8 . 1 1 42 42 ASP CA C 42 54.235 54.235 53.731 0.504 18728 7325 1 8 . 1 1 42 42 ASP CB C 42 44.253 44.253 43.952 0.301 18728 7326 1 8 . 1 1 42 42 ASP H H 42 7.513 7.513 7.848 -0.335 18728 7327 1 8 . 1 1 43 43 CYS N N 43 123.632 123.632 121.337 2.295 18728 7328 1 8 . 1 1 43 43 CYS HA H 43 4.842 4.842 5.283 -0.441 18728 7329 1 8 . 1 1 43 43 CYS C C 43 171.885 171.885 172.349 -0.464 18728 7330 1 8 . 1 1 43 43 CYS CA C 43 59.376 59.376 58.136 1.240 18728 7331 1 8 . 1 1 43 43 CYS CB C 43 26.377 26.377 29.864 -3.487 18728 7332 1 8 . 1 1 43 43 CYS H H 43 8.436 8.436 8.608 -0.172 18728 7333 1 8 . 1 1 44 44 VAL N N 44 126.787 126.787 126.182 0.605 18728 7334 1 8 . 1 1 44 44 VAL HA H 44 4.576 4.576 4.459 0.117 18728 7335 1 8 . 1 1 44 44 VAL C C 44 173.371 173.371 173.399 -0.028 18728 7336 1 8 . 1 1 44 44 VAL CA C 44 60.151 60.151 60.943 -0.792 18728 7337 1 8 . 1 1 44 44 VAL CB C 44 36.424 36.424 36.335 0.089 18728 7338 1 8 . 1 1 44 44 VAL H H 44 8.737 8.737 9.119 -0.382 18728 7339 1 8 . 1 1 45 45 VAL N N 45 125.522 125.522 128.730 -3.208 18728 7340 1 8 . 1 1 45 45 VAL HA H 45 3.711 3.711 3.979 -0.268 18728 7341 1 8 . 1 1 45 45 VAL C C 45 176.674 176.674 175.355 1.319 18728 7342 1 8 . 1 1 45 45 VAL CA C 45 62.509 62.509 62.160 0.349 18728 7343 1 8 . 1 1 45 45 VAL CB C 45 33.175 33.175 32.514 0.661 18728 7344 1 8 . 1 1 45 45 VAL H H 45 8.269 8.269 8.476 -0.207 18728 7345 1 8 . 1 1 46 46 MET N N 46 126.833 126.833 127.697 -0.864 18728 7346 1 8 . 1 1 46 46 MET HA H 46 4.441 4.441 4.300 0.141 18728 7347 1 8 . 1 1 46 46 MET C C 46 175.413 175.413 174.916 0.497 18728 7348 1 8 . 1 1 46 46 MET CA C 46 54.852 54.852 54.383 0.469 18728 7349 1 8 . 1 1 46 46 MET CB C 46 30.454 30.454 29.744 0.710 18728 7350 1 8 . 1 1 46 46 MET H H 46 8.445 8.445 8.371 0.074 18728 7351 1 8 . 1 1 47 47 ARG N N 47 120.697 120.697 123.526 -2.829 18728 7352 1 8 . 1 1 47 47 ARG HA H 47 4.838 4.838 4.771 0.067 18728 7353 1 8 . 1 1 47 47 ARG CA C 47 54.308 54.308 54.857 -0.549 18728 7354 1 8 . 1 1 47 47 ARG CB C 47 34.048 34.048 32.124 1.924 18728 7355 1 8 . 1 1 47 47 ARG H H 47 8.308 8.308 7.923 0.385 18728 7356 1 8 . 1 1 48 48 ASP N N 48 125.146 125.146 123.282 1.864 18728 7357 1 8 . 1 1 48 48 ASP HA H 48 4.686 4.686 4.820 -0.134 18728 7358 1 8 . 1 1 48 48 ASP C C 48 176.046 176.046 176.148 -0.102 18728 7359 1 8 . 1 1 48 48 ASP CA C 48 52.106 52.106 52.246 -0.140 18728 7360 1 8 . 1 1 48 48 ASP CB C 48 42.878 42.878 41.870 1.008 18728 7361 1 8 . 1 1 48 48 ASP H H 48 8.577 8.577 8.593 -0.016 18728 7362 1 8 . 1 1 49 49 PRO HA H 49 4.310 4.310 4.358 -0.048 18728 7363 1 8 . 1 1 49 49 PRO C C 49 177.166 177.166 176.414 0.752 18728 7364 1 8 . 1 1 49 49 PRO CA C 49 64.584 64.584 64.938 -0.354 18728 7365 1 8 . 1 1 49 49 PRO CB C 49 32.136 32.136 31.445 0.691 18728 7366 1 8 . 1 1 50 50 ASN N N 50 115.474 115.474 116.273 -0.799 18728 7367 1 8 . 1 1 50 50 ASN HA H 50 4.723 4.723 4.685 0.038 18728 7368 1 8 . 1 1 50 50 ASN C C 50 176.642 176.642 176.151 0.491 18728 7369 1 8 . 1 1 50 50 ASN CA C 50 55.444 55.444 55.245 0.199 18728 7370 1 8 . 1 1 50 50 ASN CB C 50 39.455 39.455 38.646 0.809 18728 7371 1 8 . 1 1 50 50 ASN H H 50 8.560 8.560 8.367 0.193 18728 7372 1 8 . 1 1 51 51 THR N N 51 108.788 108.788 113.740 -4.952 18728 7373 1 8 . 1 1 51 51 THR HA H 51 4.264 4.264 4.509 -0.245 18728 7374 1 8 . 1 1 51 51 THR C C 51 176.018 176.018 173.823 2.195 18728 7375 1 8 . 1 1 51 51 THR CA C 51 62.063 62.063 62.463 -0.400 18728 7376 1 8 . 1 1 51 51 THR CB C 51 70.768 70.768 70.104 0.664 18728 7377 1 8 . 1 1 51 51 THR H H 51 8.277 8.277 8.456 -0.179 18728 7378 1 8 . 1 1 52 52 LYS N N 52 114.615 114.615 117.321 -2.706 18728 7379 1 8 . 1 1 52 52 LYS HA H 52 3.917 3.917 4.151 -0.234 18728 7380 1 8 . 1 1 52 52 LYS C C 52 175.376 175.376 175.362 0.014 18728 7381 1 8 . 1 1 52 52 LYS CA C 52 57.902 57.902 56.926 0.976 18728 7382 1 8 . 1 1 52 52 LYS CB C 52 29.293 29.293 30.191 -0.898 18728 7383 1 8 . 1 1 52 52 LYS H H 52 8.091 8.091 8.018 0.073 18728 7384 1 8 . 1 1 53 53 ARG N N 53 120.395 120.395 116.641 3.754 18728 7385 1 8 . 1 1 53 53 ARG HA H 53 4.169 4.169 4.610 -0.441 18728 7386 1 8 . 1 1 53 53 ARG C C 53 176.619 176.619 176.179 0.440 18728 7387 1 8 . 1 1 53 53 ARG CA C 53 56.233 56.233 53.192 3.041 18728 7388 1 8 . 1 1 53 53 ARG CB C 53 31.045 31.045 32.152 -1.107 18728 7389 1 8 . 1 1 53 53 ARG H H 53 7.847 7.847 7.759 0.088 18728 7390 1 8 . 1 1 54 54 SER N N 54 116.987 116.987 117.605 -0.618 18728 7391 1 8 . 1 1 54 54 SER HA H 54 4.186 4.186 4.488 -0.302 18728 7392 1 8 . 1 1 54 54 SER C C 54 175.755 175.755 175.270 0.485 18728 7393 1 8 . 1 1 54 54 SER CA C 54 58.559 58.559 59.324 -0.765 18728 7394 1 8 . 1 1 54 54 SER CB C 54 63.922 63.922 63.399 0.523 18728 7395 1 8 . 1 1 54 54 SER H H 54 8.810 8.810 8.346 0.464 18728 7396 1 8 . 1 1 55 55 ARG N N 55 123.427 123.427 125.616 -2.189 18728 7397 1 8 . 1 1 55 55 ARG HA H 55 4.403 4.403 4.398 0.005 18728 7398 1 8 . 1 1 55 55 ARG C C 55 177.962 177.962 176.690 1.272 18728 7399 1 8 . 1 1 55 55 ARG CA C 55 56.096 56.096 56.031 0.065 18728 7400 1 8 . 1 1 55 55 ARG CB C 55 31.294 31.294 30.110 1.184 18728 7401 1 8 . 1 1 55 55 ARG H H 55 8.976 8.976 8.694 0.282 18728 7402 1 8 . 1 1 56 56 GLY N N 56 107.308 107.308 106.360 0.948 18728 7403 1 8 . 1 1 56 56 GLY C C 56 171.856 171.856 173.644 -1.788 18728 7404 1 8 . 1 1 56 56 GLY CA C 56 45.669 45.669 45.079 0.590 18728 7405 1 8 . 1 1 56 56 GLY H H 56 9.375 9.375 8.432 0.943 18728 7406 1 8 . 1 1 57 57 PHE N N 57 112.537 112.537 114.808 -2.271 18728 7407 1 8 . 1 1 57 57 PHE HA H 57 5.201 5.201 5.397 -0.196 18728 7408 1 8 . 1 1 57 57 PHE C C 57 172.646 172.646 173.041 -0.395 18728 7409 1 8 . 1 1 57 57 PHE CA C 57 54.918 54.918 55.270 -0.352 18728 7410 1 8 . 1 1 57 57 PHE CB C 57 41.743 41.743 40.918 0.825 18728 7411 1 8 . 1 1 57 57 PHE H H 57 7.044 7.044 7.116 -0.072 18728 7412 1 8 . 1 1 58 58 GLY N N 58 106.816 106.816 106.665 0.151 18728 7413 1 8 . 1 1 58 58 GLY C C 58 169.931 169.931 171.190 -1.259 18728 7414 1 8 . 1 1 58 58 GLY CA C 58 45.304 45.304 44.626 0.678 18728 7415 1 8 . 1 1 58 58 GLY H H 58 8.345 8.345 8.352 -0.007 18728 7416 1 8 . 1 1 59 59 PHE N N 59 115.179 115.179 115.490 -0.311 18728 7417 1 8 . 1 1 59 59 PHE HA H 59 5.645 5.645 5.607 0.038 18728 7418 1 8 . 1 1 59 59 PHE C C 59 174.929 174.929 174.313 0.616 18728 7419 1 8 . 1 1 59 59 PHE CA C 59 56.541 56.541 56.213 0.328 18728 7420 1 8 . 1 1 59 59 PHE CB C 59 43.984 43.984 43.753 0.231 18728 7421 1 8 . 1 1 59 59 PHE H H 59 8.903 8.903 8.771 0.132 18728 7422 1 8 . 1 1 60 60 VAL N N 60 115.310 115.310 116.394 -1.084 18728 7423 1 8 . 1 1 60 60 VAL HA H 60 4.540 4.540 4.768 -0.228 18728 7424 1 8 . 1 1 60 60 VAL C C 60 173.246 173.246 175.009 -1.763 18728 7425 1 8 . 1 1 60 60 VAL CA C 60 59.421 59.421 60.134 -0.713 18728 7426 1 8 . 1 1 60 60 VAL CB C 60 34.678 34.678 33.690 0.988 18728 7427 1 8 . 1 1 60 60 VAL H H 60 8.569 8.569 8.889 -0.320 18728 7428 1 8 . 1 1 61 61 THR N N 61 120.158 120.158 123.456 -3.298 18728 7429 1 8 . 1 1 61 61 THR HA H 61 5.068 5.068 4.883 0.185 18728 7430 1 8 . 1 1 61 61 THR C C 61 173.985 173.985 173.889 0.096 18728 7431 1 8 . 1 1 61 61 THR CA C 61 61.033 61.033 61.697 -0.664 18728 7432 1 8 . 1 1 61 61 THR CB C 61 70.114 70.114 69.452 0.662 18728 7433 1 8 . 1 1 61 61 THR H H 61 8.180 8.180 8.933 -0.753 18728 7434 1 8 . 1 1 62 62 TYR N N 62 125.280 125.280 127.396 -2.116 18728 7435 1 8 . 1 1 62 62 TYR HA H 62 5.357 5.357 4.806 0.551 18728 7436 1 8 . 1 1 62 62 TYR C C 62 176.696 176.696 175.909 0.787 18728 7437 1 8 . 1 1 62 62 TYR CA C 62 58.297 58.297 58.739 -0.442 18728 7438 1 8 . 1 1 62 62 TYR CB C 62 42.217 42.217 40.055 2.162 18728 7439 1 8 . 1 1 62 62 TYR H H 62 8.407 8.407 9.041 -0.634 18728 7440 1 8 . 1 1 63 63 ALA N N 63 121.648 121.648 123.798 -2.150 18728 7441 1 8 . 1 1 63 63 ALA HA H 63 4.052 4.052 4.342 -0.290 18728 7442 1 8 . 1 1 63 63 ALA C C 63 178.252 178.252 177.285 0.967 18728 7443 1 8 . 1 1 63 63 ALA CA C 63 55.269 55.269 54.314 0.955 18728 7444 1 8 . 1 1 63 63 ALA CB C 63 19.068 19.068 19.745 -0.677 18728 7445 1 8 . 1 1 63 63 ALA H H 63 8.749 8.749 9.042 -0.293 18728 7446 1 8 . 1 1 64 64 THR N N 64 105.238 105.238 112.318 -7.080 18728 7447 1 8 . 1 1 64 64 THR HA H 64 4.902 4.902 4.759 0.143 18728 7448 1 8 . 1 1 64 64 THR C C 64 174.667 174.667 174.854 -0.187 18728 7449 1 8 . 1 1 64 64 THR CA C 64 59.184 59.184 61.120 -1.937 18728 7450 1 8 . 1 1 64 64 THR CB C 64 73.193 73.193 71.999 1.194 18728 7451 1 8 . 1 1 64 64 THR H H 64 7.992 7.992 7.888 0.104 18728 7452 1 8 . 1 1 65 65 VAL N N 65 120.939 120.939 124.302 -3.363 18728 7453 1 8 . 1 1 65 65 VAL HA H 65 3.670 3.670 3.787 -0.117 18728 7454 1 8 . 1 1 65 65 VAL C C 65 177.446 177.446 176.933 0.513 18728 7455 1 8 . 1 1 65 65 VAL CA C 65 65.535 65.535 65.295 0.240 18728 7456 1 8 . 1 1 65 65 VAL CB C 65 31.538 31.538 32.064 -0.526 18728 7457 1 8 . 1 1 65 65 VAL H H 65 8.968 8.968 8.423 0.545 18728 7458 1 8 . 1 1 66 66 GLU N N 66 120.818 120.818 119.559 1.259 18728 7459 1 8 . 1 1 66 66 GLU HA H 66 4.045 4.045 3.909 0.136 18728 7460 1 8 . 1 1 66 66 GLU C C 66 180.056 180.056 178.817 1.239 18728 7461 1 8 . 1 1 66 66 GLU CA C 66 60.430 60.430 60.062 0.368 18728 7462 1 8 . 1 1 66 66 GLU CB C 66 28.909 28.909 28.733 0.176 18728 7463 1 8 . 1 1 66 66 GLU H H 66 8.686 8.686 8.843 -0.157 18728 7464 1 8 . 1 1 67 67 GLU N N 67 120.729 120.729 117.733 2.996 18728 7465 1 8 . 1 1 67 67 GLU HA H 67 3.853 3.853 3.987 -0.134 18728 7466 1 8 . 1 1 67 67 GLU C C 67 177.040 177.040 178.147 -1.107 18728 7467 1 8 . 1 1 67 67 GLU CA C 67 59.391 59.391 58.945 0.446 18728 7468 1 8 . 1 1 67 67 GLU CB C 67 29.590 29.590 29.265 0.325 18728 7469 1 8 . 1 1 67 67 GLU H H 67 7.487 7.487 8.312 -0.825 18728 7470 1 8 . 1 1 68 68 VAL N N 68 118.408 118.408 119.217 -0.809 18728 7471 1 8 . 1 1 68 68 VAL HA H 68 3.165 3.165 3.007 0.158 18728 7472 1 8 . 1 1 68 68 VAL C C 68 178.293 178.293 177.652 0.641 18728 7473 1 8 . 1 1 68 68 VAL CA C 68 66.391 66.391 66.042 0.349 18728 7474 1 8 . 1 1 68 68 VAL CB C 68 31.092 31.092 31.149 -0.057 18728 7475 1 8 . 1 1 68 68 VAL H H 68 6.882 6.882 7.096 -0.214 18728 7476 1 8 . 1 1 69 69 ASP N N 69 119.356 119.356 120.037 -0.681 18728 7477 1 8 . 1 1 69 69 ASP HA H 69 4.128 4.128 4.242 -0.114 18728 7478 1 8 . 1 1 69 69 ASP C C 69 178.765 178.765 178.119 0.646 18728 7479 1 8 . 1 1 69 69 ASP CA C 69 57.394 57.394 57.688 -0.293 18728 7480 1 8 . 1 1 69 69 ASP CB C 69 39.879 39.879 40.727 -0.848 18728 7481 1 8 . 1 1 69 69 ASP H H 69 8.109 8.109 7.563 0.546 18728 7482 1 8 . 1 1 70 70 ALA N N 70 123.031 123.031 120.740 2.291 18728 7483 1 8 . 1 1 70 70 ALA HA H 70 4.070 4.070 4.073 -0.003 18728 7484 1 8 . 1 1 70 70 ALA C C 70 180.518 180.518 179.428 1.090 18728 7485 1 8 . 1 1 70 70 ALA CA C 70 55.209 55.209 55.187 0.022 18728 7486 1 8 . 1 1 70 70 ALA CB C 70 18.104 18.104 18.313 -0.209 18728 7487 1 8 . 1 1 70 70 ALA H H 70 7.736 7.736 7.905 -0.169 18728 7488 1 8 . 1 1 71 71 ALA N N 71 121.446 121.446 120.113 1.333 18728 7489 1 8 . 1 1 71 71 ALA HA H 71 3.034 3.034 3.805 -0.771 18728 7490 1 8 . 1 1 71 71 ALA C C 71 182.248 182.248 179.631 2.617 18728 7491 1 8 . 1 1 71 71 ALA CA C 71 55.251 55.251 54.426 0.825 18728 7492 1 8 . 1 1 71 71 ALA CB C 71 17.976 17.976 18.455 -0.479 18728 7493 1 8 . 1 1 71 71 ALA H H 71 8.101 8.101 7.447 0.654 18728 7494 1 8 . 1 1 72 72 MET N N 72 118.027 118.027 118.259 -0.232 18728 7495 1 8 . 1 1 72 72 MET HA H 72 4.430 4.430 4.184 0.246 18728 7496 1 8 . 1 1 72 72 MET C C 72 179.409 179.409 178.995 0.414 18728 7497 1 8 . 1 1 72 72 MET CA C 72 56.379 56.379 58.356 -1.977 18728 7498 1 8 . 1 1 72 72 MET CB C 72 30.498 30.498 31.987 -1.489 18728 7499 1 8 . 1 1 72 72 MET H H 72 8.681 8.681 8.249 0.432 18728 7500 1 8 . 1 1 73 73 ASN N N 73 119.415 119.415 118.538 0.877 18728 7501 1 8 . 1 1 73 73 ASN HA H 73 4.627 4.627 4.534 0.093 18728 7502 1 8 . 1 1 73 73 ASN C C 73 175.014 175.014 176.820 -1.806 18728 7503 1 8 . 1 1 73 73 ASN CA C 73 54.323 54.323 55.618 -1.295 18728 7504 1 8 . 1 1 73 73 ASN CB C 73 38.468 38.468 38.362 0.106 18728 7505 1 8 . 1 1 73 73 ASN H H 73 8.096 8.096 8.629 -0.533 18728 7506 1 8 . 1 1 74 74 ALA N N 74 122.253 122.253 121.187 1.066 18728 7507 1 8 . 1 1 74 74 ALA HA H 74 4.299 4.299 4.208 0.091 18728 7508 1 8 . 1 1 74 74 ALA C C 74 175.305 175.305 177.293 -1.988 18728 7509 1 8 . 1 1 74 74 ALA CA C 74 51.273 51.273 51.900 -0.627 18728 7510 1 8 . 1 1 74 74 ALA CB C 74 18.922 18.922 18.788 0.134 18728 7511 1 8 . 1 1 74 74 ALA H H 74 6.966 6.966 7.342 -0.376 18728 7512 1 8 . 1 1 75 75 ARG N N 75 116.833 116.833 120.147 -3.314 18728 7513 1 8 . 1 1 75 75 ARG HA H 75 3.608 3.608 4.112 -0.504 18728 7514 1 8 . 1 1 75 75 ARG CA C 75 55.086 55.086 55.283 -0.197 18728 7515 1 8 . 1 1 75 75 ARG CB C 75 30.199 30.199 29.803 0.396 18728 7516 1 8 . 1 1 75 75 ARG H H 75 6.749 6.749 7.153 -0.404 18728 7517 1 8 . 1 1 76 76 PRO HA H 76 4.434 4.434 4.578 -0.144 18728 7518 1 8 . 1 1 76 76 PRO C C 76 175.590 175.590 175.639 -0.049 18728 7519 1 8 . 1 1 76 76 PRO CA C 76 61.614 61.614 62.548 -0.934 18728 7520 1 8 . 1 1 76 76 PRO CB C 76 34.982 34.982 33.144 1.838 18728 7521 1 8 . 1 1 77 77 HIS N N 77 122.039 122.039 117.156 4.883 18728 7522 1 8 . 1 1 77 77 HIS HA H 77 4.559 4.559 4.897 -0.338 18728 7523 1 8 . 1 1 77 77 HIS C C 77 173.137 173.137 173.672 -0.535 18728 7524 1 8 . 1 1 77 77 HIS CA C 77 56.231 56.231 55.415 0.816 18728 7525 1 8 . 1 1 77 77 HIS CB C 77 32.909 32.909 34.103 -1.194 18728 7526 1 8 . 1 1 77 77 HIS H H 77 9.384 9.384 8.295 1.089 18728 7527 1 8 . 1 1 78 78 LYS N N 78 125.607 125.607 123.008 2.599 18728 7528 1 8 . 1 1 78 78 LYS HA H 78 4.939 4.939 5.263 -0.324 18728 7529 1 8 . 1 1 78 78 LYS C C 78 174.858 174.858 174.932 -0.074 18728 7530 1 8 . 1 1 78 78 LYS CA C 78 54.755 54.755 55.503 -0.748 18728 7531 1 8 . 1 1 78 78 LYS CB C 78 33.475 33.475 34.883 -1.408 18728 7532 1 8 . 1 1 78 78 LYS H H 78 8.485 8.485 8.583 -0.098 18728 7533 1 8 . 1 1 79 79 VAL N N 79 124.596 124.596 126.171 -1.575 18728 7534 1 8 . 1 1 79 79 VAL HA H 79 3.955 3.955 4.027 -0.072 18728 7535 1 8 . 1 1 79 79 VAL C C 79 176.295 176.295 175.334 0.961 18728 7536 1 8 . 1 1 79 79 VAL CA C 79 60.737 60.737 61.233 -0.496 18728 7537 1 8 . 1 1 79 79 VAL CB C 79 33.249 33.249 33.467 -0.218 18728 7538 1 8 . 1 1 79 79 VAL H H 79 8.581 8.581 8.449 0.132 18728 7539 1 8 . 1 1 80 80 ASP N N 80 128.668 128.668 124.514 4.154 18728 7540 1 8 . 1 1 80 80 ASP HA H 80 4.228 4.228 4.308 -0.080 18728 7541 1 8 . 1 1 80 80 ASP C C 80 175.744 175.744 175.944 -0.200 18728 7542 1 8 . 1 1 80 80 ASP CA C 80 55.882 55.882 55.241 0.641 18728 7543 1 8 . 1 1 80 80 ASP CB C 80 39.692 39.692 40.305 -0.613 18728 7544 1 8 . 1 1 80 80 ASP H H 80 9.553 9.553 9.289 0.264 18728 7545 1 8 . 1 1 81 81 GLY N N 81 101.527 101.527 103.603 -2.076 18728 7546 1 8 . 1 1 81 81 GLY C C 81 173.560 173.560 173.496 0.064 18728 7547 1 8 . 1 1 81 81 GLY CA C 81 45.445 45.445 45.312 0.133 18728 7548 1 8 . 1 1 81 81 GLY H H 81 8.488 8.488 8.569 -0.081 18728 7549 1 8 . 1 1 82 82 ARG N N 82 120.493 120.493 119.973 0.520 18728 7550 1 8 . 1 1 82 82 ARG HA H 82 4.640 4.640 4.631 0.009 18728 7551 1 8 . 1 1 82 82 ARG C C 82 174.512 174.512 174.819 -0.307 18728 7552 1 8 . 1 1 82 82 ARG CA C 82 53.161 53.161 54.190 -1.029 18728 7553 1 8 . 1 1 82 82 ARG CB C 82 32.507 32.507 33.167 -0.660 18728 7554 1 8 . 1 1 82 82 ARG H H 82 7.555 7.555 7.425 0.130 18728 7555 1 8 . 1 1 83 83 VAL N N 83 124.855 124.855 127.440 -2.585 18728 7556 1 8 . 1 1 83 83 VAL HA H 83 4.501 4.501 4.385 0.116 18728 7557 1 8 . 1 1 83 83 VAL C C 83 176.701 176.701 175.432 1.269 18728 7558 1 8 . 1 1 83 83 VAL CA C 83 63.290 63.290 62.801 0.489 18728 7559 1 8 . 1 1 83 83 VAL CB C 83 30.867 30.867 31.597 -0.730 18728 7560 1 8 . 1 1 83 83 VAL H H 83 8.633 8.633 8.611 0.022 18728 7561 1 8 . 1 1 84 84 VAL N N 84 122.944 122.944 123.343 -0.399 18728 7562 1 8 . 1 1 84 84 VAL HA H 84 4.667 4.667 4.782 -0.115 18728 7563 1 8 . 1 1 84 84 VAL C C 84 174.969 174.969 174.496 0.473 18728 7564 1 8 . 1 1 84 84 VAL CA C 84 59.499 59.499 59.035 0.464 18728 7565 1 8 . 1 1 84 84 VAL CB C 84 32.761 32.761 35.098 -2.337 18728 7566 1 8 . 1 1 84 84 VAL H H 84 8.391 8.391 8.538 -0.147 18728 7567 1 8 . 1 1 85 85 GLU N N 85 120.907 120.907 123.018 -2.111 18728 7568 1 8 . 1 1 85 85 GLU HA H 85 5.087 5.087 4.938 0.149 18728 7569 1 8 . 1 1 85 85 GLU CA C 85 52.949 52.949 52.779 0.170 18728 7570 1 8 . 1 1 85 85 GLU CB C 85 31.367 31.367 31.958 -0.591 18728 7571 1 8 . 1 1 85 85 GLU H H 85 8.681 8.681 8.956 -0.275 18728 7572 1 8 . 1 1 86 86 PRO HA H 86 5.383 5.383 4.755 0.628 18728 7573 1 8 . 1 1 86 86 PRO C C 86 175.908 175.908 176.268 -0.360 18728 7574 1 8 . 1 1 86 86 PRO CA C 86 61.444 61.444 62.767 -1.323 18728 7575 1 8 . 1 1 86 86 PRO CB C 86 32.657 32.657 32.024 0.633 18728 7576 1 8 . 1 1 87 87 LYS N N 87 121.252 121.252 122.788 -1.536 18728 7577 1 8 . 1 1 87 87 LYS HA H 87 4.688 4.688 5.073 -0.385 18728 7578 1 8 . 1 1 87 87 LYS C C 87 175.676 175.676 175.900 -0.224 18728 7579 1 8 . 1 1 87 87 LYS CA C 87 55.101 55.101 54.068 1.034 18728 7580 1 8 . 1 1 87 87 LYS CB C 87 36.608 36.608 37.209 -0.601 18728 7581 1 8 . 1 1 87 87 LYS H H 87 9.397 9.397 8.954 0.443 18728 7582 1 8 . 1 1 88 88 ARG N N 88 123.272 123.272 121.544 1.728 18728 7583 1 8 . 1 1 88 88 ARG HA H 88 4.375 4.375 4.384 -0.009 18728 7584 1 8 . 1 1 88 88 ARG C C 88 177.011 177.011 176.569 0.442 18728 7585 1 8 . 1 1 88 88 ARG CA C 88 57.209 57.209 55.962 1.247 18728 7586 1 8 . 1 1 88 88 ARG CB C 88 30.452 30.452 30.495 -0.043 18728 7587 1 8 . 1 1 88 88 ARG H H 88 8.940 8.940 9.000 -0.060 18728 7588 1 8 . 1 1 89 89 ALA N N 89 126.260 126.260 131.589 -5.329 18728 7589 1 8 . 1 1 89 89 ALA HA H 89 4.259 4.259 4.505 -0.246 18728 7590 1 8 . 1 1 89 89 ALA C C 89 177.452 177.452 176.722 0.730 18728 7591 1 8 . 1 1 89 89 ALA CA C 89 53.712 53.712 52.247 1.465 18728 7592 1 8 . 1 1 89 89 ALA CB C 89 18.824 18.824 18.488 0.336 18728 7593 1 8 . 1 1 89 89 ALA H H 89 8.424 8.424 8.058 0.366 18728 7594 1 8 . 1 1 90 90 VAL N N 90 115.835 115.835 123.996 -8.161 18728 7595 1 8 . 1 1 90 90 VAL HA H 90 4.182 4.182 3.934 0.248 18728 7596 1 8 . 1 1 90 90 VAL C C 90 175.397 175.397 176.295 -0.898 18728 7597 1 8 . 1 1 90 90 VAL CA C 90 61.516 61.516 62.963 -1.447 18728 7598 1 8 . 1 1 90 90 VAL CB C 90 33.448 33.448 33.482 -0.034 18728 7599 1 8 . 1 1 90 90 VAL H H 90 7.892 7.892 7.784 0.108 18728 7600 1 8 . 1 1 91 91 SER N N 91 119.224 119.224 122.028 -2.804 18728 7601 1 8 . 1 1 91 91 SER HA H 91 4.420 4.420 4.356 0.064 18728 7602 1 8 . 1 1 91 91 SER CA C 91 57.888 57.888 59.217 -1.329 18728 7603 1 8 . 1 1 91 91 SER CB C 91 63.788 63.788 63.785 0.003 18728 7604 1 8 . 1 1 91 91 SER H H 91 8.327 8.327 8.688 -0.361 18728 7605 1 8 . 1 1 92 92 ARG HA H 92 4.231 4.231 3.932 0.299 18728 7606 1 8 . 1 1 92 92 ARG C C 92 176.651 176.651 178.465 -1.814 18728 7607 1 8 . 1 1 92 92 ARG CA C 92 56.671 56.671 59.463 -2.792 18728 7608 1 8 . 1 1 92 92 ARG CB C 92 30.776 30.776 29.810 0.966 18728 7609 1 8 . 1 1 92 92 ARG H H 92 8.425 8.425 8.731 -0.306 18728 7610 1 8 . 1 1 93 93 GLU N N 93 121.483 121.483 119.395 2.088 18728 7611 1 8 . 1 1 93 93 GLU HA H 93 4.181 4.181 4.091 0.090 18728 7612 1 8 . 1 1 93 93 GLU C C 93 176.605 176.605 178.350 -1.745 18728 7613 1 8 . 1 1 93 93 GLU CA C 93 57.185 57.185 59.396 -2.211 18728 7614 1 8 . 1 1 93 93 GLU CB C 93 30.015 30.015 29.336 0.679 18728 7615 1 8 . 1 1 93 93 GLU H H 93 8.503 8.503 8.647 -0.144 18728 7616 1 8 . 1 1 94 94 ASP N N 94 121.305 121.305 118.119 3.186 18728 7617 1 8 . 1 1 94 94 ASP HA H 94 4.540 4.540 4.417 0.123 18728 7618 1 8 . 1 1 94 94 ASP C C 94 176.744 176.744 179.027 -2.283 18728 7619 1 8 . 1 1 94 94 ASP CA C 94 54.678 54.678 56.657 -1.979 18728 7620 1 8 . 1 1 94 94 ASP CB C 94 41.183 41.183 40.263 0.920 18728 7621 1 8 . 1 1 94 94 ASP H H 94 8.229 8.229 8.408 -0.179 18728 7622 1 8 . 1 1 95 95 SER N N 95 115.787 115.787 114.978 0.809 18728 7623 1 8 . 1 1 95 95 SER HA H 95 4.286 4.286 4.057 0.229 18728 7624 1 8 . 1 1 95 95 SER C C 95 174.602 174.602 175.436 -0.834 18728 7625 1 8 . 1 1 95 95 SER CA C 95 58.957 58.957 60.062 -1.105 18728 7626 1 8 . 1 1 95 95 SER CB C 95 64.524 64.524 62.961 1.563 18728 7627 1 8 . 1 1 95 95 SER H H 95 8.109 8.109 8.264 -0.155 18728 7628 1 8 . 1 1 96 96 GLN N N 96 120.796 120.796 119.437 1.359 18728 7629 1 8 . 1 1 96 96 GLN HA H 96 4.297 4.297 4.276 0.021 18728 7630 1 8 . 1 1 96 96 GLN C C 96 175.742 175.742 176.358 -0.616 18728 7631 1 8 . 1 1 96 96 GLN CA C 96 55.721 55.721 55.907 -0.186 18728 7632 1 8 . 1 1 96 96 GLN CB C 96 29.313 29.313 29.119 0.194 18728 7633 1 8 . 1 1 96 96 GLN H H 96 8.161 8.161 7.385 0.776 18728 7634 1 8 . 1 1 97 97 ARG N N 97 122.462 122.462 120.639 1.823 18728 7635 1 8 . 1 1 97 97 ARG HA H 97 4.552 4.552 4.468 0.084 18728 7636 1 8 . 1 1 97 97 ARG CA C 97 54.096 54.096 53.370 0.726 18728 7637 1 8 . 1 1 97 97 ARG CB C 97 30.115 30.115 29.494 0.621 18728 7638 1 8 . 1 1 97 97 ARG H H 97 8.029 8.029 7.499 0.530 18728 7639 1 8 . 1 1 98 98 PRO HA H 98 4.362 4.362 4.320 0.042 18728 7640 1 8 . 1 1 98 98 PRO C C 98 177.715 177.715 177.146 0.569 18728 7641 1 8 . 1 1 98 98 PRO CA C 98 63.592 63.592 63.560 0.032 18728 7642 1 8 . 1 1 98 98 PRO CB C 98 31.955 31.955 31.583 0.372 18728 7643 1 8 . 1 1 99 99 GLY N N 99 109.572 109.572 112.945 -3.373 18728 7644 1 8 . 1 1 99 99 GLY C C 99 174.356 174.356 175.255 -0.899 18728 7645 1 8 . 1 1 99 99 GLY CA C 99 45.395 45.395 45.125 0.270 18728 7646 1 8 . 1 1 99 99 GLY H H 99 8.516 8.516 8.501 0.015 18728 7647 1 8 . 1 1 100 100 ALA N N 100 123.418 123.418 121.843 1.575 18728 7648 1 8 . 1 1 100 100 ALA HA H 100 4.141 4.141 3.879 0.262 18728 7649 1 8 . 1 1 100 100 ALA CA C 100 53.160 53.160 53.787 -0.627 18728 7650 1 8 . 1 1 100 100 ALA CB C 100 19.185 19.185 19.057 0.128 18728 7651 1 8 . 1 1 100 100 ALA H H 100 8.015 8.015 7.451 0.564 18728 7652 1 8 . 1 1 101 101 HIS HA H 101 4.502 4.502 4.530 -0.028 18728 7653 1 8 . 1 1 101 101 HIS C C 101 175.102 175.102 174.276 0.826 18728 7654 1 8 . 1 1 101 101 HIS CA C 101 56.309 56.309 54.193 2.116 18728 7655 1 8 . 1 1 101 101 HIS CB C 101 30.450 30.450 28.536 1.914 18728 7656 1 8 . 1 1 102 102 LEU N N 102 122.495 122.495 120.307 2.188 18728 7657 1 8 . 1 1 102 102 LEU HA H 102 4.263 4.263 4.454 -0.191 18728 7658 1 8 . 1 1 102 102 LEU C C 102 177.020 177.020 177.040 -0.020 18728 7659 1 8 . 1 1 102 102 LEU CA C 102 54.934 54.934 54.388 0.546 18728 7660 1 8 . 1 1 102 102 LEU CB C 102 42.414 42.414 43.252 -0.838 18728 7661 1 8 . 1 1 102 102 LEU H H 102 7.774 7.774 7.094 0.680 18728 7662 1 8 . 1 1 103 103 THR N N 103 115.720 115.720 119.252 -3.532 18728 7663 1 8 . 1 1 103 103 THR HA H 103 4.220 4.220 3.966 0.254 18728 7664 1 8 . 1 1 103 103 THR C C 103 174.185 174.185 173.693 0.492 18728 7665 1 8 . 1 1 103 103 THR CA C 103 60.917 60.917 62.759 -1.842 18728 7666 1 8 . 1 1 103 103 THR CB C 103 69.340 69.340 68.190 1.150 18728 7667 1 8 . 1 1 103 103 THR H H 103 8.001 8.001 8.340 -0.339 18728 7668 1 8 . 1 1 104 104 VAL N N 104 122.004 122.004 126.217 -4.213 18728 7669 1 8 . 1 1 104 104 VAL HA H 104 4.330 4.330 4.293 0.037 18728 7670 1 8 . 1 1 104 104 VAL C C 104 175.294 175.294 175.451 -0.157 18728 7671 1 8 . 1 1 104 104 VAL CA C 104 61.877 61.877 60.949 0.928 18728 7672 1 8 . 1 1 104 104 VAL CB C 104 34.220 34.220 32.928 1.292 18728 7673 1 8 . 1 1 104 104 VAL H H 104 8.191 8.191 7.994 0.197 18728 7674 1 8 . 1 1 105 105 LYS N N 105 121.406 121.406 125.464 -4.058 18728 7675 1 8 . 1 1 105 105 LYS HA H 105 4.498 4.498 4.518 -0.020 18728 7676 1 8 . 1 1 105 105 LYS C C 105 173.482 173.482 175.572 -2.090 18728 7677 1 8 . 1 1 105 105 LYS CA C 105 56.433 56.433 56.021 0.412 18728 7678 1 8 . 1 1 105 105 LYS CB C 105 33.245 33.245 32.945 0.300 18728 7679 1 8 . 1 1 105 105 LYS H H 105 8.672 8.672 8.768 -0.096 18728 7680 1 8 . 1 1 106 106 LYS N N 106 121.756 121.756 119.218 2.538 18728 7681 1 8 . 1 1 106 106 LYS HA H 106 5.623 5.623 5.421 0.202 18728 7682 1 8 . 1 1 106 106 LYS C C 106 175.153 175.153 175.505 -0.352 18728 7683 1 8 . 1 1 106 106 LYS CA C 106 54.537 54.537 54.903 -0.366 18728 7684 1 8 . 1 1 106 106 LYS CB C 106 37.407 37.407 36.120 1.287 18728 7685 1 8 . 1 1 106 106 LYS H H 106 7.134 7.134 7.759 -0.625 18728 7686 1 8 . 1 1 107 107 ILE N N 107 115.982 115.982 118.632 -2.650 18728 7687 1 8 . 1 1 107 107 ILE HA H 107 5.110 5.110 5.254 -0.144 18728 7688 1 8 . 1 1 107 107 ILE C C 107 174.525 174.525 174.130 0.395 18728 7689 1 8 . 1 1 107 107 ILE CA C 107 59.009 59.009 59.116 -0.107 18728 7690 1 8 . 1 1 107 107 ILE CB C 107 40.552 40.552 41.141 -0.589 18728 7691 1 8 . 1 1 107 107 ILE H H 107 8.948 8.948 8.302 0.646 18728 7692 1 8 . 1 1 108 108 PHE N N 108 124.182 124.182 125.275 -1.093 18728 7693 1 8 . 1 1 108 108 PHE HA H 108 4.696 4.696 4.712 -0.016 18728 7694 1 8 . 1 1 108 108 PHE C C 108 173.422 173.422 173.302 0.120 18728 7695 1 8 . 1 1 108 108 PHE CA C 108 56.567 56.567 55.971 0.596 18728 7696 1 8 . 1 1 108 108 PHE CB C 108 41.596 41.596 41.689 -0.093 18728 7697 1 8 . 1 1 108 108 PHE H H 108 9.103 9.103 9.040 0.063 18728 7698 1 8 . 1 1 109 109 VAL N N 109 126.956 126.956 128.090 -1.134 18728 7699 1 8 . 1 1 109 109 VAL HA H 109 4.497 4.497 4.846 -0.349 18728 7700 1 8 . 1 1 109 109 VAL C C 109 174.097 174.097 174.353 -0.256 18728 7701 1 8 . 1 1 109 109 VAL CA C 109 60.493 60.493 60.335 0.158 18728 7702 1 8 . 1 1 109 109 VAL CB C 109 33.266 33.266 32.602 0.663 18728 7703 1 8 . 1 1 109 109 VAL H H 109 8.338 8.338 8.289 0.049 18728 7704 1 8 . 1 1 110 110 GLY N N 110 113.617 113.617 113.486 0.131 18728 7705 1 8 . 1 1 110 110 GLY C C 110 174.325 174.325 173.318 1.007 18728 7706 1 8 . 1 1 110 110 GLY CA C 110 44.011 44.011 43.423 0.588 18728 7707 1 8 . 1 1 110 110 GLY H H 110 9.173 9.173 8.569 0.604 18728 7708 1 8 . 1 1 111 111 GLY N N 111 106.411 106.411 109.364 -2.953 18728 7709 1 8 . 1 1 111 111 GLY CA C 111 46.359 46.359 45.073 1.286 18728 7710 1 8 . 1 1 111 111 GLY H H 111 8.221 8.221 8.393 -0.172 18728 7711 1 8 . 1 1 116 116 THR HA H 116 4.322 4.322 4.725 -0.403 18728 7712 1 8 . 1 1 116 116 THR C C 116 173.380 173.380 173.562 -0.182 18728 7713 1 8 . 1 1 116 116 THR CA C 116 63.000 63.000 61.572 1.428 18728 7714 1 8 . 1 1 117 117 GLU N N 117 130.298 130.298 124.305 5.993 18728 7715 1 8 . 1 1 117 117 GLU HA H 117 4.632 4.632 4.699 -0.067 18728 7716 1 8 . 1 1 117 117 GLU C C 117 177.632 177.632 176.468 1.164 18728 7717 1 8 . 1 1 117 117 GLU CA C 117 53.853 53.853 54.459 -0.606 18728 7718 1 8 . 1 1 117 117 GLU CB C 117 32.977 32.977 31.994 0.983 18728 7719 1 8 . 1 1 117 117 GLU H H 117 11.190 11.190 9.033 2.157 18728 7720 1 8 . 1 1 118 118 GLU N N 118 122.126 122.126 121.503 0.623 18728 7721 1 8 . 1 1 118 118 GLU HA H 118 3.627 3.627 3.960 -0.333 18728 7722 1 8 . 1 1 118 118 GLU C C 118 179.294 179.294 178.256 1.038 18728 7723 1 8 . 1 1 118 118 GLU CA C 118 61.689 61.689 60.515 1.174 18728 7724 1 8 . 1 1 118 118 GLU CB C 118 29.075 29.075 29.556 -0.481 18728 7725 1 8 . 1 1 118 118 GLU H H 118 9.339 9.339 8.874 0.465 18728 7726 1 8 . 1 1 119 119 HIS N N 119 113.514 113.514 116.544 -3.030 18728 7727 1 8 . 1 1 119 119 HIS HA H 119 4.265 4.265 4.410 -0.145 18728 7728 1 8 . 1 1 119 119 HIS C C 119 176.566 176.566 178.095 -1.529 18728 7729 1 8 . 1 1 119 119 HIS CA C 119 58.917 58.917 58.926 -0.009 18728 7730 1 8 . 1 1 119 119 HIS CB C 119 28.187 28.187 29.227 -1.040 18728 7731 1 8 . 1 1 119 119 HIS H H 119 8.240 8.240 8.919 -0.679 18728 7732 1 8 . 1 1 120 120 HIS N N 120 118.629 118.629 118.268 0.361 18728 7733 1 8 . 1 1 120 120 HIS HA H 120 4.332 4.332 4.281 0.051 18728 7734 1 8 . 1 1 120 120 HIS C C 120 179.713 179.713 177.514 2.199 18728 7735 1 8 . 1 1 120 120 HIS CA C 120 60.310 60.310 59.357 0.953 18728 7736 1 8 . 1 1 120 120 HIS CB C 120 32.233 32.233 29.896 2.337 18728 7737 1 8 . 1 1 120 120 HIS H H 120 6.474 6.474 8.196 -1.722 18728 7738 1 8 . 1 1 121 121 LEU N N 121 117.249 117.249 115.563 1.686 18728 7739 1 8 . 1 1 121 121 LEU HA H 121 4.179 4.179 4.377 -0.198 18728 7740 1 8 . 1 1 121 121 LEU C C 121 178.020 178.020 178.324 -0.304 18728 7741 1 8 . 1 1 121 121 LEU CA C 121 57.924 57.924 57.685 0.239 18728 7742 1 8 . 1 1 121 121 LEU CB C 121 42.577 42.577 41.212 1.365 18728 7743 1 8 . 1 1 121 121 LEU H H 121 7.132 7.132 7.646 -0.514 18728 7744 1 8 . 1 1 122 122 ARG N N 122 121.766 121.766 121.324 0.442 18728 7745 1 8 . 1 1 122 122 ARG HA H 122 3.741 3.741 4.016 -0.275 18728 7746 1 8 . 1 1 122 122 ARG C C 122 177.023 177.023 178.101 -1.078 18728 7747 1 8 . 1 1 122 122 ARG CA C 122 60.508 60.508 59.723 0.785 18728 7748 1 8 . 1 1 122 122 ARG CB C 122 30.256 30.256 29.619 0.637 18728 7749 1 8 . 1 1 122 122 ARG H H 122 8.759 8.759 8.827 -0.068 18728 7750 1 8 . 1 1 123 123 ASP N N 123 116.299 116.299 117.788 -1.489 18728 7751 1 8 . 1 1 123 123 ASP HA H 123 4.294 4.294 4.431 -0.137 18728 7752 1 8 . 1 1 123 123 ASP C C 123 178.057 178.057 178.201 -0.144 18728 7753 1 8 . 1 1 123 123 ASP CA C 123 57.076 57.076 57.389 -0.313 18728 7754 1 8 . 1 1 123 123 ASP CB C 123 40.572 40.572 40.798 -0.226 18728 7755 1 8 . 1 1 123 123 ASP H H 123 8.423 8.423 8.097 0.326 18728 7756 1 8 . 1 1 124 124 TYR N N 124 115.172 115.172 120.122 -4.950 18728 7757 1 8 . 1 1 124 124 TYR HA H 124 4.338 4.338 4.174 0.164 18728 7758 1 8 . 1 1 124 124 TYR C C 124 177.688 177.688 177.873 -0.185 18728 7759 1 8 . 1 1 124 124 TYR CA C 124 61.660 61.660 61.402 0.258 18728 7760 1 8 . 1 1 124 124 TYR CB C 124 39.847 39.847 38.752 1.095 18728 7761 1 8 . 1 1 124 124 TYR H H 124 7.212 7.212 7.443 -0.231 18728 7762 1 8 . 1 1 125 125 PHE N N 125 113.932 113.932 117.577 -3.645 18728 7763 1 8 . 1 1 125 125 PHE HA H 125 4.515 4.515 4.380 0.135 18728 7764 1 8 . 1 1 125 125 PHE C C 125 178.209 178.209 178.356 -0.147 18728 7765 1 8 . 1 1 125 125 PHE CA C 125 63.404 63.404 61.169 2.235 18728 7766 1 8 . 1 1 125 125 PHE CB C 125 38.614 38.614 38.413 0.201 18728 7767 1 8 . 1 1 125 125 PHE H H 125 8.802 8.802 8.884 -0.082 18728 7768 1 8 . 1 1 126 126 GLU N N 126 120.515 120.515 120.122 0.393 18728 7769 1 8 . 1 1 126 126 GLU HA H 126 4.884 4.884 4.450 0.434 18728 7770 1 8 . 1 1 126 126 GLU C C 126 177.936 177.936 178.816 -0.880 18728 7771 1 8 . 1 1 126 126 GLU CA C 126 58.560 58.560 58.772 -0.212 18728 7772 1 8 . 1 1 126 126 GLU CB C 126 28.516 28.516 29.207 -0.691 18728 7773 1 8 . 1 1 126 126 GLU H H 126 8.869 8.869 8.245 0.624 18728 7774 1 8 . 1 1 127 127 GLN N N 127 115.855 115.855 117.247 -1.392 18728 7775 1 8 . 1 1 127 127 GLN HA H 127 4.055 4.055 3.993 0.062 18728 7776 1 8 . 1 1 127 127 GLN C C 127 176.656 176.656 177.522 -0.866 18728 7777 1 8 . 1 1 127 127 GLN CA C 127 57.566 57.566 57.987 -0.421 18728 7778 1 8 . 1 1 127 127 GLN CB C 127 29.047 29.047 28.693 0.354 18728 7779 1 8 . 1 1 127 127 GLN H H 127 7.105 7.105 7.716 -0.611 18728 7780 1 8 . 1 1 128 128 TYR N N 128 116.626 116.626 116.101 0.525 18728 7781 1 8 . 1 1 128 128 TYR HA H 128 4.328 4.328 4.451 -0.123 18728 7782 1 8 . 1 1 128 128 TYR C C 128 175.596 175.596 175.553 0.043 18728 7783 1 8 . 1 1 128 128 TYR CA C 128 59.492 59.492 59.067 0.425 18728 7784 1 8 . 1 1 128 128 TYR CB C 128 39.539 39.539 39.844 -0.305 18728 7785 1 8 . 1 1 128 128 TYR H H 128 7.950 7.950 7.956 -0.006 18728 7786 1 8 . 1 1 129 129 GLY N N 129 107.386 107.386 103.846 3.540 18728 7787 1 8 . 1 1 129 129 GLY C C 129 170.407 170.407 172.217 -1.810 18728 7788 1 8 . 1 1 129 129 GLY CA C 129 44.819 44.819 44.955 -0.136 18728 7789 1 8 . 1 1 129 129 GLY H H 129 7.492 7.492 7.464 0.028 18728 7790 1 8 . 1 1 130 130 LYS N N 130 117.786 117.786 120.986 -3.200 18728 7791 1 8 . 1 1 130 130 LYS HA H 130 4.315 4.315 4.425 -0.110 18728 7792 1 8 . 1 1 130 130 LYS C C 130 177.097 177.097 175.545 1.552 18728 7793 1 8 . 1 1 130 130 LYS CA C 130 56.938 56.938 56.304 0.634 18728 7794 1 8 . 1 1 130 130 LYS CB C 130 33.199 33.199 33.504 -0.305 18728 7795 1 8 . 1 1 130 130 LYS H H 130 8.135 8.135 8.589 -0.454 18728 7796 1 8 . 1 1 131 131 ILE N N 131 127.829 127.829 126.433 1.396 18728 7797 1 8 . 1 1 131 131 ILE HA H 131 3.681 3.681 3.992 -0.311 18728 7798 1 8 . 1 1 131 131 ILE C C 131 175.841 175.841 175.979 -0.138 18728 7799 1 8 . 1 1 131 131 ILE CA C 131 61.625 61.625 60.524 1.101 18728 7800 1 8 . 1 1 131 131 ILE CB C 131 40.441 40.441 39.781 0.660 18728 7801 1 8 . 1 1 131 131 ILE H H 131 8.917 8.917 8.553 0.364 18728 7802 1 8 . 1 1 132 132 GLU N N 132 128.437 128.437 126.561 1.876 18728 7803 1 8 . 1 1 132 132 GLU HA H 132 4.320 4.320 4.377 -0.057 18728 7804 1 8 . 1 1 132 132 GLU C C 132 176.192 176.192 176.217 -0.025 18728 7805 1 8 . 1 1 132 132 GLU CA C 132 57.816 57.816 57.702 0.114 18728 7806 1 8 . 1 1 132 132 GLU CB C 132 31.670 31.670 31.027 0.643 18728 7807 1 8 . 1 1 132 132 GLU H H 132 9.136 9.136 8.773 0.363 18728 7808 1 8 . 1 1 133 133 VAL N N 133 115.096 115.096 117.328 -2.232 18728 7809 1 8 . 1 1 133 133 VAL HA H 133 4.316 4.316 4.254 0.062 18728 7810 1 8 . 1 1 133 133 VAL C C 133 172.860 172.860 173.546 -0.686 18728 7811 1 8 . 1 1 133 133 VAL CA C 133 61.258 61.258 60.751 0.507 18728 7812 1 8 . 1 1 133 133 VAL CB C 133 35.526 35.526 35.627 -0.101 18728 7813 1 8 . 1 1 133 133 VAL H H 133 7.272 7.272 7.482 -0.210 18728 7814 1 8 . 1 1 134 134 ILE N N 134 126.870 126.870 124.825 2.045 18728 7815 1 8 . 1 1 134 134 ILE HA H 134 4.464 4.464 4.337 0.127 18728 7816 1 8 . 1 1 134 134 ILE C C 134 174.004 174.004 174.688 -0.684 18728 7817 1 8 . 1 1 134 134 ILE CA C 134 60.904 60.904 60.273 0.631 18728 7818 1 8 . 1 1 134 134 ILE CB C 134 40.408 40.408 39.929 0.479 18728 7819 1 8 . 1 1 134 134 ILE H H 134 8.566 8.566 8.797 -0.231 18728 7820 1 8 . 1 1 135 135 GLU N N 135 128.037 128.037 128.766 -0.729 18728 7821 1 8 . 1 1 135 135 GLU HA H 135 4.642 4.642 4.644 -0.002 18728 7822 1 8 . 1 1 135 135 GLU C C 135 174.883 174.883 174.855 0.028 18728 7823 1 8 . 1 1 135 135 GLU CA C 135 54.640 54.640 55.403 -0.763 18728 7824 1 8 . 1 1 135 135 GLU CB C 135 33.259 33.259 30.606 2.653 18728 7825 1 8 . 1 1 135 135 GLU H H 135 9.019 9.019 8.541 0.478 18728 7826 1 8 . 1 1 136 136 ILE N N 136 126.668 126.668 125.496 1.172 18728 7827 1 8 . 1 1 136 136 ILE HA H 136 3.898 3.898 4.236 -0.338 18728 7828 1 8 . 1 1 136 136 ILE C C 136 176.157 176.157 175.134 1.023 18728 7829 1 8 . 1 1 136 136 ILE CA C 136 61.336 61.336 59.998 1.338 18728 7830 1 8 . 1 1 136 136 ILE CB C 136 37.397 37.397 37.619 -0.222 18728 7831 1 8 . 1 1 136 136 ILE H H 136 8.967 8.967 8.532 0.435 18728 7832 1 8 . 1 1 137 137 MET N N 137 126.115 126.115 127.534 -1.419 18728 7833 1 8 . 1 1 137 137 MET HA H 137 4.679 4.679 4.806 -0.127 18728 7834 1 8 . 1 1 137 137 MET C C 137 176.723 176.723 175.325 1.398 18728 7835 1 8 . 1 1 137 137 MET CA C 137 55.163 55.163 53.142 2.021 18728 7836 1 8 . 1 1 137 137 MET CB C 137 30.841 30.841 33.032 -2.191 18728 7837 1 8 . 1 1 137 137 MET H H 137 7.656 7.656 8.483 -0.827 18728 7838 1 8 . 1 1 138 138 THR N N 138 116.735 116.735 112.726 4.009 18728 7839 1 8 . 1 1 138 138 THR HA H 138 4.746 4.746 4.608 0.138 18728 7840 1 8 . 1 1 138 138 THR C C 138 173.642 173.642 173.915 -0.273 18728 7841 1 8 . 1 1 138 138 THR CA C 138 60.385 60.385 59.903 0.482 18728 7842 1 8 . 1 1 138 138 THR CB C 138 72.028 72.028 70.694 1.335 18728 7843 1 8 . 1 1 138 138 THR H H 138 8.551 8.551 8.254 0.297 18728 7844 1 8 . 1 1 139 139 ASP N N 139 123.899 123.899 120.600 3.299 18728 7845 1 8 . 1 1 139 139 ASP HA H 139 4.677 4.677 4.685 -0.008 18728 7846 1 8 . 1 1 139 139 ASP CA C 139 53.728 53.728 53.428 0.300 18728 7847 1 8 . 1 1 139 139 ASP CB C 139 42.270 42.270 43.123 -0.853 18728 7848 1 8 . 1 1 139 139 ASP H H 139 8.818 8.818 8.343 0.475 18728 7849 1 8 . 1 1 140 140 ARG HA H 140 4.037 4.037 4.118 -0.081 18728 7850 1 8 . 1 1 140 140 ARG C C 140 177.886 177.886 177.584 0.302 18728 7851 1 8 . 1 1 140 140 ARG CB C 140 29.886 29.886 30.308 -0.422 18728 7852 1 8 . 1 1 141 141 GLY N N 141 107.951 107.951 106.623 1.328 18728 7853 1 8 . 1 1 141 141 GLY C C 141 174.861 174.861 175.906 -1.045 18728 7854 1 8 . 1 1 141 141 GLY CA C 141 46.490 46.490 45.781 0.709 18728 7855 1 8 . 1 1 141 141 GLY H H 141 8.635 8.635 8.197 0.438 18728 7856 1 8 . 1 1 142 142 SER N N 142 114.044 114.044 115.599 -1.555 18728 7857 1 8 . 1 1 142 142 SER HA H 142 4.533 4.533 4.490 0.043 18728 7858 1 8 . 1 1 142 142 SER C C 142 176.080 176.080 174.817 1.263 18728 7859 1 8 . 1 1 142 142 SER CA C 142 58.429 58.429 59.504 -1.075 18728 7860 1 8 . 1 1 142 142 SER CB C 142 65.439 65.439 64.606 0.833 18728 7861 1 8 . 1 1 142 142 SER H H 142 8.034 8.034 8.896 -0.862 18728 7862 1 8 . 1 1 143 143 GLY N N 143 112.348 112.348 108.176 4.172 18728 7863 1 8 . 1 1 143 143 GLY C C 143 173.949 173.949 173.789 0.160 18728 7864 1 8 . 1 1 143 143 GLY CA C 143 45.703 45.703 45.481 0.222 18728 7865 1 8 . 1 1 143 143 GLY H H 143 8.363 8.363 7.777 0.586 18728 7866 1 8 . 1 1 144 144 LYS N N 144 119.966 119.966 119.452 0.514 18728 7867 1 8 . 1 1 144 144 LYS HA H 144 4.273 4.273 4.336 -0.063 18728 7868 1 8 . 1 1 144 144 LYS C C 144 176.969 176.969 176.555 0.414 18728 7869 1 8 . 1 1 144 144 LYS CA C 144 56.145 56.145 54.193 1.952 18728 7870 1 8 . 1 1 144 144 LYS CB C 144 33.378 33.378 33.115 0.263 18728 7871 1 8 . 1 1 144 144 LYS H H 144 7.786 7.786 7.697 0.089 18728 7872 1 8 . 1 1 145 145 LYS N N 145 123.668 123.668 122.264 1.404 18728 7873 1 8 . 1 1 145 145 LYS HA H 145 4.187 4.187 4.245 -0.058 18728 7874 1 8 . 1 1 145 145 LYS C C 145 177.498 177.498 175.614 1.884 18728 7875 1 8 . 1 1 145 145 LYS CA C 145 57.392 57.392 56.718 0.674 18728 7876 1 8 . 1 1 145 145 LYS CB C 145 32.577 32.577 31.271 1.306 18728 7877 1 8 . 1 1 145 145 LYS H H 145 8.968 8.968 8.396 0.572 18728 7878 1 8 . 1 1 146 146 ARG N N 146 119.700 119.700 120.772 -1.072 18728 7879 1 8 . 1 1 146 146 ARG HA H 146 4.294 4.294 4.591 -0.297 18728 7880 1 8 . 1 1 146 146 ARG CA C 146 56.365 56.365 54.713 1.652 18728 7881 1 8 . 1 1 146 146 ARG CB C 146 30.786 30.786 33.419 -2.633 18728 7882 1 8 . 1 1 146 146 ARG H H 146 8.095 8.095 7.840 0.255 18728 7883 1 8 . 1 1 147 147 GLY N N 147 110.572 110.572 108.087 2.485 18728 7884 1 8 . 1 1 147 147 GLY C C 147 173.384 173.384 173.016 0.368 18728 7885 1 8 . 1 1 147 147 GLY CA C 147 45.440 45.440 46.471 -1.031 18728 7886 1 8 . 1 1 147 147 GLY H H 147 8.401 8.401 8.838 -0.437 18728 7887 1 8 . 1 1 148 148 PHE N N 148 114.199 114.199 116.098 -1.899 18728 7888 1 8 . 1 1 148 148 PHE HA H 148 5.194 5.194 5.302 -0.108 18728 7889 1 8 . 1 1 148 148 PHE C C 148 172.409 172.409 172.682 -0.273 18728 7890 1 8 . 1 1 148 148 PHE CA C 148 55.282 55.282 56.156 -0.874 18728 7891 1 8 . 1 1 148 148 PHE CB C 148 41.869 41.869 40.629 1.240 18728 7892 1 8 . 1 1 148 148 PHE H H 148 7.255 7.255 7.330 -0.075 18728 7893 1 8 . 1 1 149 149 ALA N N 149 121.427 121.427 120.263 1.164 18728 7894 1 8 . 1 1 149 149 ALA HA H 149 4.966 4.966 4.749 0.217 18728 7895 1 8 . 1 1 149 149 ALA C C 149 174.084 174.084 174.302 -0.218 18728 7896 1 8 . 1 1 149 149 ALA CA C 149 49.755 49.755 50.988 -1.233 18728 7897 1 8 . 1 1 149 149 ALA CB C 149 25.094 25.094 22.624 2.470 18728 7898 1 8 . 1 1 149 149 ALA H H 149 8.786 8.786 8.762 0.024 18728 7899 1 8 . 1 1 150 150 PHE N N 150 114.425 114.425 115.845 -1.420 18728 7900 1 8 . 1 1 150 150 PHE HA H 150 5.874 5.874 5.604 0.270 18728 7901 1 8 . 1 1 150 150 PHE C C 150 176.196 176.196 174.623 1.573 18728 7902 1 8 . 1 1 150 150 PHE CA C 150 56.070 56.070 57.178 -1.108 18728 7903 1 8 . 1 1 150 150 PHE CB C 150 43.251 43.251 44.426 -1.175 18728 7904 1 8 . 1 1 150 150 PHE H H 150 8.689 8.689 9.049 -0.360 18728 7905 1 8 . 1 1 151 151 VAL N N 151 122.489 122.489 120.466 2.023 18728 7906 1 8 . 1 1 151 151 VAL HA H 151 4.375 4.375 4.527 -0.152 18728 7907 1 8 . 1 1 151 151 VAL C C 151 173.932 173.932 173.759 0.173 18728 7908 1 8 . 1 1 151 151 VAL CA C 151 61.454 61.454 60.952 0.502 18728 7909 1 8 . 1 1 151 151 VAL CB C 151 33.869 33.869 36.048 -2.179 18728 7910 1 8 . 1 1 151 151 VAL H H 151 8.559 8.559 8.487 0.072 18728 7911 1 8 . 1 1 152 152 THR N N 152 123.112 123.112 125.206 -2.094 18728 7912 1 8 . 1 1 152 152 THR HA H 152 4.995 4.995 4.887 0.108 18728 7913 1 8 . 1 1 152 152 THR C C 152 174.047 174.047 173.608 0.439 18728 7914 1 8 . 1 1 152 152 THR CA C 152 61.931 61.931 62.436 -0.505 18728 7915 1 8 . 1 1 152 152 THR CB C 152 69.689 69.689 69.645 0.044 18728 7916 1 8 . 1 1 152 152 THR H H 152 8.723 8.723 8.901 -0.178 18728 7917 1 8 . 1 1 153 153 PHE N N 153 127.746 127.746 127.212 0.534 18728 7918 1 8 . 1 1 153 153 PHE HA H 153 4.840 4.840 4.680 0.160 18728 7919 1 8 . 1 1 153 153 PHE C C 153 174.720 174.720 175.805 -1.085 18728 7920 1 8 . 1 1 153 153 PHE CA C 153 58.098 58.098 57.870 0.228 18728 7921 1 8 . 1 1 153 153 PHE CB C 153 41.706 41.706 41.656 0.051 18728 7922 1 8 . 1 1 153 153 PHE H H 153 9.368 9.368 9.310 0.058 18728 7923 1 8 . 1 1 154 154 ASP N N 154 118.371 118.371 120.941 -2.570 18728 7924 1 8 . 1 1 154 154 ASP HA H 154 4.486 4.486 4.695 -0.209 18728 7925 1 8 . 1 1 154 154 ASP C C 154 175.668 175.668 175.149 0.519 18728 7926 1 8 . 1 1 154 154 ASP CA C 154 56.114 56.114 56.574 -0.460 18728 7927 1 8 . 1 1 154 154 ASP CB C 154 42.576 42.576 42.249 0.327 18728 7928 1 8 . 1 1 154 154 ASP H H 154 8.196 8.196 9.064 -0.868 18728 7929 1 8 . 1 1 155 155 ASP N N 155 117.144 117.144 114.185 2.959 18728 7930 1 8 . 1 1 155 155 ASP HA H 155 4.909 4.909 4.866 0.043 18728 7931 1 8 . 1 1 155 155 ASP C C 155 176.392 176.392 176.248 0.144 18728 7932 1 8 . 1 1 155 155 ASP CA C 155 52.615 52.615 51.893 0.722 18728 7933 1 8 . 1 1 155 155 ASP CB C 155 44.471 44.471 43.925 0.546 18728 7934 1 8 . 1 1 155 155 ASP H H 155 8.323 8.323 7.818 0.505 18728 7935 1 8 . 1 1 156 156 HIS N N 156 121.508 121.508 119.298 2.210 18728 7936 1 8 . 1 1 156 156 HIS HA H 156 4.336 4.336 4.587 -0.251 18728 7937 1 8 . 1 1 156 156 HIS C C 156 176.855 176.855 176.448 0.407 18728 7938 1 8 . 1 1 156 156 HIS CA C 156 58.593 58.593 57.503 1.090 18728 7939 1 8 . 1 1 156 156 HIS CB C 156 29.703 29.703 30.175 -0.472 18728 7940 1 8 . 1 1 156 156 HIS H H 156 8.492 8.492 8.555 -0.063 18728 7941 1 8 . 1 1 157 157 ASP N N 157 122.539 122.539 120.126 2.413 18728 7942 1 8 . 1 1 157 157 ASP HA H 157 4.254 4.254 4.208 0.046 18728 7943 1 8 . 1 1 157 157 ASP C C 157 178.233 178.233 178.048 0.185 18728 7944 1 8 . 1 1 157 157 ASP CA C 157 57.047 57.047 57.317 -0.270 18728 7945 1 8 . 1 1 157 157 ASP CB C 157 40.875 40.875 40.319 0.556 18728 7946 1 8 . 1 1 157 157 ASP H H 157 8.345 8.345 7.887 0.458 18728 7947 1 8 . 1 1 158 158 SER N N 158 113.623 113.623 113.671 -0.048 18728 7948 1 8 . 1 1 158 158 SER HA H 158 3.899 3.899 4.030 -0.131 18728 7949 1 8 . 1 1 158 158 SER C C 158 174.750 174.750 175.836 -1.086 18728 7950 1 8 . 1 1 158 158 SER CA C 158 61.914 61.914 61.636 0.278 18728 7951 1 8 . 1 1 158 158 SER CB C 158 63.088 63.088 62.480 0.608 18728 7952 1 8 . 1 1 158 158 SER H H 158 7.424 7.424 8.298 -0.874 18728 7953 1 8 . 1 1 159 159 VAL N N 159 118.448 118.448 122.385 -3.937 18728 7954 1 8 . 1 1 159 159 VAL HA H 159 2.913 2.913 3.429 -0.516 18728 7955 1 8 . 1 1 159 159 VAL C C 159 177.269 177.269 177.357 -0.088 18728 7956 1 8 . 1 1 159 159 VAL CA C 159 66.512 66.512 65.967 0.545 18728 7957 1 8 . 1 1 159 159 VAL CB C 159 31.395 31.395 31.323 0.072 18728 7958 1 8 . 1 1 159 159 VAL H H 159 6.484 6.484 7.264 -0.780 18728 7959 1 8 . 1 1 160 160 ASP N N 160 119.064 119.064 119.373 -0.309 18728 7960 1 8 . 1 1 160 160 ASP HA H 160 4.275 4.275 4.383 -0.108 18728 7961 1 8 . 1 1 160 160 ASP C C 160 178.284 178.284 178.803 -0.519 18728 7962 1 8 . 1 1 160 160 ASP CA C 160 57.798 57.798 57.345 0.453 18728 7963 1 8 . 1 1 160 160 ASP CB C 160 40.288 40.288 40.525 -0.237 18728 7964 1 8 . 1 1 160 160 ASP H H 160 7.663 7.663 8.013 -0.350 18728 7965 1 8 . 1 1 161 161 LYS N N 161 116.568 116.568 119.465 -2.897 18728 7966 1 8 . 1 1 161 161 LYS HA H 161 4.030 4.030 4.064 -0.034 18728 7967 1 8 . 1 1 161 161 LYS C C 161 178.205 178.205 178.443 -0.238 18728 7968 1 8 . 1 1 161 161 LYS CA C 161 58.796 58.796 59.396 -0.600 18728 7969 1 8 . 1 1 161 161 LYS CB C 161 33.298 33.298 32.600 0.698 18728 7970 1 8 . 1 1 161 161 LYS H H 161 7.465 7.465 7.765 -0.300 18728 7971 1 8 . 1 1 162 162 ILE N N 162 119.457 119.457 117.693 1.764 18728 7972 1 8 . 1 1 162 162 ILE HA H 162 3.241 3.241 3.738 -0.497 18728 7973 1 8 . 1 1 162 162 ILE C C 162 179.129 179.129 178.140 0.989 18728 7974 1 8 . 1 1 162 162 ILE CA C 162 65.201 65.201 64.237 0.964 18728 7975 1 8 . 1 1 162 162 ILE CB C 162 39.170 39.170 38.064 1.106 18728 7976 1 8 . 1 1 162 162 ILE H H 162 7.367 7.367 6.990 0.377 18728 7977 1 8 . 1 1 163 163 VAL N N 163 109.705 109.705 118.190 -8.485 18728 7978 1 8 . 1 1 163 163 VAL HA H 163 4.093 4.093 3.998 0.095 18728 7979 1 8 . 1 1 163 163 VAL C C 163 176.685 176.685 177.250 -0.565 18728 7980 1 8 . 1 1 163 163 VAL CA C 163 64.137 64.137 64.394 -0.257 18728 7981 1 8 . 1 1 163 163 VAL CB C 163 30.720 30.720 30.610 0.110 18728 7982 1 8 . 1 1 163 163 VAL H H 163 7.814 7.814 8.072 -0.258 18728 7983 1 8 . 1 1 164 164 ILE N N 164 118.885 118.885 119.940 -1.055 18728 7984 1 8 . 1 1 164 164 ILE HA H 164 3.968 3.968 3.858 0.110 18728 7985 1 8 . 1 1 164 164 ILE C C 164 176.006 176.006 176.549 -0.543 18728 7986 1 8 . 1 1 164 164 ILE CA C 164 63.328 63.328 63.653 -0.325 18728 7987 1 8 . 1 1 164 164 ILE CB C 164 38.136 38.136 38.112 0.024 18728 7988 1 8 . 1 1 164 164 ILE H H 164 6.979 6.979 7.207 -0.228 18728 7989 1 8 . 1 1 165 165 GLN N N 165 120.509 120.509 118.176 2.333 18728 7990 1 8 . 1 1 165 165 GLN HA H 165 4.472 4.472 4.444 0.028 18728 7991 1 8 . 1 1 165 165 GLN C C 165 174.808 174.808 174.871 -0.063 18728 7992 1 8 . 1 1 165 165 GLN CA C 165 54.743 54.743 54.491 0.252 18728 7993 1 8 . 1 1 165 165 GLN CB C 165 30.183 30.183 28.608 1.575 18728 7994 1 8 . 1 1 165 165 GLN H H 165 7.490 7.490 7.881 -0.391 18728 7995 1 8 . 1 1 166 166 LYS N N 166 122.953 122.953 123.537 -0.584 18728 7996 1 8 . 1 1 166 166 LYS HA H 166 3.992 3.992 4.031 -0.039 18728 7997 1 8 . 1 1 166 166 LYS C C 166 175.496 175.496 175.696 -0.200 18728 7998 1 8 . 1 1 166 166 LYS CA C 166 59.718 59.718 59.290 0.428 18728 7999 1 8 . 1 1 166 166 LYS CB C 166 33.115 33.115 32.966 0.149 18728 8000 1 8 . 1 1 166 166 LYS H H 166 8.085 8.085 8.666 -0.581 18728 8001 1 8 . 1 1 167 167 TYR N N 167 114.210 114.210 114.267 -0.057 18728 8002 1 8 . 1 1 167 167 TYR HA H 167 5.457 5.457 5.299 0.158 18728 8003 1 8 . 1 1 167 167 TYR C C 167 175.593 175.593 175.940 -0.347 18728 8004 1 8 . 1 1 167 167 TYR CA C 167 56.417 56.417 57.160 -0.743 18728 8005 1 8 . 1 1 167 167 TYR CB C 167 40.057 40.057 40.920 -0.863 18728 8006 1 8 . 1 1 167 167 TYR H H 167 7.740 7.740 7.681 0.059 18728 8007 1 8 . 1 1 168 168 HIS N N 168 122.617 122.617 121.912 0.705 18728 8008 1 8 . 1 1 168 168 HIS HA H 168 4.526 4.526 5.065 -0.539 18728 8009 1 8 . 1 1 168 168 HIS C C 168 174.213 174.213 174.219 -0.006 18728 8010 1 8 . 1 1 168 168 HIS CA C 168 55.233 55.233 55.109 0.124 18728 8011 1 8 . 1 1 168 168 HIS CB C 168 34.906 34.906 34.414 0.491 18728 8012 1 8 . 1 1 168 168 HIS H H 168 9.035 9.035 9.324 -0.289 18728 8013 1 8 . 1 1 169 169 THR N N 169 121.981 121.981 119.099 2.882 18728 8014 1 8 . 1 1 169 169 THR HA H 169 4.722 4.722 4.848 -0.126 18728 8015 1 8 . 1 1 169 169 THR C C 169 172.973 172.973 174.130 -1.157 18728 8016 1 8 . 1 1 169 169 THR CA C 169 61.620 61.620 62.222 -0.602 18728 8017 1 8 . 1 1 169 169 THR CB C 169 68.692 68.692 68.753 -0.061 18728 8018 1 8 . 1 1 169 169 THR H H 169 8.784 8.784 8.513 0.271 18728 8019 1 8 . 1 1 170 170 VAL N N 170 125.540 125.540 126.150 -0.610 18728 8020 1 8 . 1 1 170 170 VAL HA H 170 3.751 3.751 3.749 0.002 18728 8021 1 8 . 1 1 170 170 VAL C C 170 175.997 175.997 175.683 0.314 18728 8022 1 8 . 1 1 170 170 VAL CA C 170 60.770 60.770 60.333 0.437 18728 8023 1 8 . 1 1 170 170 VAL CB C 170 34.216 34.216 34.013 0.203 18728 8024 1 8 . 1 1 170 170 VAL H H 170 8.268 8.268 8.531 -0.263 18728 8025 1 8 . 1 1 171 171 ASN N N 171 126.811 126.811 124.532 2.279 18728 8026 1 8 . 1 1 171 171 ASN HA H 171 4.065 4.065 4.201 -0.136 18728 8027 1 8 . 1 1 171 171 ASN C C 171 174.266 174.266 175.353 -1.087 18728 8028 1 8 . 1 1 171 171 ASN CA C 171 53.184 53.184 53.528 -0.344 18728 8029 1 8 . 1 1 171 171 ASN CB C 171 37.436 37.436 37.456 -0.020 18728 8030 1 8 . 1 1 171 171 ASN H H 171 9.437 9.437 8.935 0.502 18728 8031 1 8 . 1 1 172 172 GLY N N 172 100.629 100.629 103.085 -2.456 18728 8032 1 8 . 1 1 172 172 GLY C C 172 173.335 173.335 173.569 -0.234 18728 8033 1 8 . 1 1 172 172 GLY CA C 172 45.154 45.154 45.634 -0.480 18728 8034 1 8 . 1 1 172 172 GLY H H 172 8.194 8.194 8.437 -0.243 18728 8035 1 8 . 1 1 173 173 HIS N N 173 119.555 119.555 119.551 0.004 18728 8036 1 8 . 1 1 173 173 HIS HA H 173 4.860 4.860 4.772 0.088 18728 8037 1 8 . 1 1 173 173 HIS CA C 173 53.723 53.723 54.966 -1.243 18728 8038 1 8 . 1 1 173 173 HIS CB C 173 31.589 31.589 33.291 -1.702 18728 8039 1 8 . 1 1 173 173 HIS H H 173 7.657 7.657 7.788 -0.131 18728 8040 1 8 . 1 1 174 174 ASN N N 174 122.936 122.936 123.791 -0.855 18728 8041 1 8 . 1 1 174 174 ASN HA H 174 4.794 4.794 5.011 -0.217 18728 8042 1 8 . 1 1 174 174 ASN C C 174 174.918 174.918 174.691 0.227 18728 8043 1 8 . 1 1 174 174 ASN CA C 174 53.748 53.748 52.569 1.179 18728 8044 1 8 . 1 1 174 174 ASN CB C 174 38.185 38.185 37.926 0.259 18728 8045 1 8 . 1 1 174 174 ASN H H 174 8.828 8.828 8.134 0.694 18728 8046 1 8 . 1 1 175 175 CYS N N 175 126.425 126.425 120.306 6.119 18728 8047 1 8 . 1 1 175 175 CYS HA H 175 4.872 4.872 4.825 0.047 18728 8048 1 8 . 1 1 175 175 CYS C C 175 173.853 173.853 173.516 0.337 18728 8049 1 8 . 1 1 175 175 CYS CA C 175 59.380 59.380 56.087 3.292 18728 8050 1 8 . 1 1 175 175 CYS CB C 175 29.966 29.966 31.400 -1.434 18728 8051 1 8 . 1 1 175 175 CYS H H 175 9.078 9.078 8.956 0.122 18728 8052 1 8 . 1 1 176 176 GLU N N 176 124.488 124.488 121.335 3.153 18728 8053 1 8 . 1 1 176 176 GLU HA H 176 4.661 4.661 4.691 -0.030 18728 8054 1 8 . 1 1 176 176 GLU C C 176 175.343 175.343 175.313 0.030 18728 8055 1 8 . 1 1 176 176 GLU CA C 176 55.296 55.296 55.526 -0.230 18728 8056 1 8 . 1 1 176 176 GLU CB C 176 31.550 31.550 30.981 0.569 18728 8057 1 8 . 1 1 176 176 GLU H H 176 8.161 8.161 9.004 -0.843 18728 8058 1 8 . 1 1 177 177 VAL N N 177 122.521 122.521 126.112 -3.591 18728 8059 1 8 . 1 1 177 177 VAL HA H 177 5.628 5.628 5.508 0.120 18728 8060 1 8 . 1 1 177 177 VAL C C 177 175.720 175.720 174.317 1.403 18728 8061 1 8 . 1 1 177 177 VAL CA C 177 59.713 59.713 60.348 -0.635 18728 8062 1 8 . 1 1 177 177 VAL CB C 177 34.523 34.523 34.380 0.142 18728 8063 1 8 . 1 1 177 177 VAL H H 177 8.684 8.684 8.899 -0.215 18728 8064 1 8 . 1 1 178 178 ARG N N 178 119.915 119.915 123.702 -3.787 18728 8065 1 8 . 1 1 178 178 ARG HA H 178 4.746 4.746 4.698 0.048 18728 8066 1 8 . 1 1 178 178 ARG C C 178 175.689 175.689 174.509 1.180 18728 8067 1 8 . 1 1 178 178 ARG CA C 178 54.212 54.212 54.105 0.107 18728 8068 1 8 . 1 1 178 178 ARG CB C 178 34.184 34.184 33.406 0.778 18728 8069 1 8 . 1 1 178 178 ARG H H 178 8.701 8.701 8.651 0.050 18728 8070 1 8 . 1 1 179 179 LYS N N 179 121.001 121.001 121.075 -0.074 18728 8071 1 8 . 1 1 179 179 LYS HA H 179 4.098 4.098 4.235 -0.137 18728 8072 1 8 . 1 1 179 179 LYS C C 179 176.026 176.026 176.094 -0.068 18728 8073 1 8 . 1 1 179 179 LYS CA C 179 59.027 59.027 57.027 2.000 18728 8074 1 8 . 1 1 179 179 LYS CB C 179 33.377 33.377 31.355 2.022 18728 8075 1 8 . 1 1 179 179 LYS H H 179 8.990 8.990 8.606 0.384 18728 8076 1 8 . 1 1 180 180 ALA N N 180 126.810 126.810 128.495 -1.685 18728 8077 1 8 . 1 1 180 180 ALA HA H 180 4.565 4.565 4.792 -0.227 18728 8078 1 8 . 1 1 180 180 ALA C C 180 175.318 175.318 176.128 -0.810 18728 8079 1 8 . 1 1 180 180 ALA CA C 180 51.432 51.432 50.849 0.583 18728 8080 1 8 . 1 1 180 180 ALA CB C 180 19.201 19.201 20.413 -1.212 18728 8081 1 8 . 1 1 180 180 ALA H H 180 8.378 8.378 8.602 -0.224 18728 8082 1 8 . 1 1 181 181 LEU N N 181 122.300 122.300 125.186 -2.886 18728 8083 1 8 . 1 1 181 181 LEU HA H 181 4.401 4.401 4.383 0.018 18728 8084 1 8 . 1 1 181 181 LEU CA C 181 54.737 54.737 54.079 0.658 18728 8085 1 8 . 1 1 181 181 LEU CB C 181 43.199 43.199 41.971 1.228 18728 8086 1 8 . 1 1 181 181 LEU H H 181 8.001 8.001 8.588 -0.587 18728 8087 1 8 . 1 1 182 182 SER HA H 182 4.406 4.406 4.225 0.181 18728 8088 1 8 . 1 1 182 182 SER CA C 182 58.100 58.100 57.458 0.642 18728 8089 1 8 . 1 1 182 182 SER CB C 182 64.440 64.440 64.480 -0.040 18728 8090 1 8 . 1 1 183 183 LYS HA H 183 4.101 4.101 3.950 0.151 18728 8091 1 8 . 1 1 183 183 LYS C C 183 177.343 177.343 179.098 -1.755 18728 8092 1 8 . 1 1 183 183 LYS CA C 183 57.744 57.744 60.177 -2.433 18728 8093 1 8 . 1 1 183 183 LYS CB C 183 32.586 32.586 31.899 0.687 18728 8094 1 8 . 1 1 184 184 GLN N N 184 120.056 120.056 119.270 0.786 18728 8095 1 8 . 1 1 184 184 GLN HA H 184 4.167 4.167 4.230 -0.063 18728 8096 1 8 . 1 1 184 184 GLN C C 184 176.718 176.718 177.786 -1.068 18728 8097 1 8 . 1 1 184 184 GLN CA C 184 56.981 56.981 59.480 -2.498 18728 8098 1 8 . 1 1 184 184 GLN CB C 184 28.990 28.990 28.019 0.971 18728 8099 1 8 . 1 1 184 184 GLN H H 184 8.320 8.320 8.400 -0.080 18728 8100 1 8 . 1 1 185 185 GLU N N 185 121.610 121.610 117.557 4.053 18728 8101 1 8 . 1 1 185 185 GLU HA H 185 4.132 4.132 4.114 0.018 18728 8102 1 8 . 1 1 185 185 GLU C C 185 177.117 177.117 179.477 -2.360 18728 8103 1 8 . 1 1 185 185 GLU CA C 185 57.234 57.234 59.027 -1.793 18728 8104 1 8 . 1 1 185 185 GLU CB C 185 30.235 30.235 28.911 1.324 18728 8105 1 8 . 1 1 185 185 GLU H H 185 8.143 8.143 8.579 -0.436 18728 8106 1 8 . 1 1 186 186 MET N N 186 120.092 120.092 118.823 1.269 18728 8107 1 8 . 1 1 186 186 MET HA H 186 4.289 4.289 4.250 0.039 18728 8108 1 8 . 1 1 186 186 MET C C 186 176.438 176.438 177.704 -1.266 18728 8109 1 8 . 1 1 186 186 MET CA C 186 56.069 56.069 58.325 -2.256 18728 8110 1 8 . 1 1 186 186 MET CB C 186 32.847 32.847 32.790 0.057 18728 8111 1 8 . 1 1 186 186 MET H H 186 8.195 8.195 8.640 -0.445 18728 8112 1 8 . 1 1 187 187 ALA N N 187 124.104 124.104 118.981 5.123 18728 8113 1 8 . 1 1 187 187 ALA HA H 187 4.297 4.297 4.417 -0.120 18728 8114 1 8 . 1 1 187 187 ALA C C 187 178.107 178.107 177.102 1.005 18728 8115 1 8 . 1 1 187 187 ALA CA C 187 52.912 52.912 51.855 1.057 18728 8116 1 8 . 1 1 187 187 ALA CB C 187 19.060 19.060 19.227 -0.167 18728 8117 1 8 . 1 1 187 187 ALA H H 187 8.060 8.060 7.634 0.426 18728 8118 1 8 . 1 1 188 188 SER N N 188 114.374 114.374 111.899 2.475 18728 8119 1 8 . 1 1 188 188 SER HA H 188 4.357 4.357 4.147 0.210 18728 8120 1 8 . 1 1 188 188 SER C C 188 174.757 174.757 174.145 0.612 18728 8121 1 8 . 1 1 188 188 SER CA C 188 58.598 58.598 59.409 -0.811 18728 8122 1 8 . 1 1 188 188 SER CB C 188 63.734 63.734 61.012 2.722 18728 8123 1 8 . 1 1 188 188 SER H H 188 8.173 8.173 7.631 0.542 18728 8124 1 8 . 1 1 189 189 ALA N N 189 125.637 125.637 121.555 4.082 18728 8125 1 8 . 1 1 189 189 ALA HA H 189 4.246 4.246 4.346 -0.100 18728 8126 1 8 . 1 1 189 189 ALA CA C 189 53.015 53.015 51.528 1.487 18728 8127 1 8 . 1 1 189 189 ALA CB C 189 19.069 19.069 20.789 -1.720 18728 8128 1 8 . 1 1 189 189 ALA H H 189 8.207 8.207 7.812 0.395 18728 8129 1 9 . 1 1 5 5 GLU N N 5 122.509 122.509 124.096 -1.587 18728 8130 1 9 . 1 1 5 5 GLU HA H 5 4.345 4.345 4.530 -0.185 18728 8131 1 9 . 1 1 5 5 GLU C C 5 176.240 176.240 175.105 1.135 18728 8132 1 9 . 1 1 5 5 GLU CA C 5 56.190 56.190 55.252 0.938 18728 8133 1 9 . 1 1 5 5 GLU CB C 5 30.611 30.611 32.008 -1.397 18728 8134 1 9 . 1 1 5 5 GLU H H 5 8.321 8.321 8.210 0.111 18728 8135 1 9 . 1 1 6 6 SER N N 6 118.728 118.728 118.157 0.571 18728 8136 1 9 . 1 1 6 6 SER HA H 6 4.342 4.342 4.857 -0.515 18728 8137 1 9 . 1 1 6 6 SER CA C 6 56.305 56.305 56.906 -0.600 18728 8138 1 9 . 1 1 6 6 SER CB C 6 63.241 63.241 63.364 -0.123 18728 8139 1 9 . 1 1 6 6 SER H H 6 8.349 8.349 8.366 -0.017 18728 8140 1 9 . 1 1 7 7 PRO HA H 7 4.427 4.427 4.667 -0.240 18728 8141 1 9 . 1 1 7 7 PRO C C 7 177.027 177.027 176.054 0.973 18728 8142 1 9 . 1 1 7 7 PRO CA C 7 63.271 63.271 62.651 0.620 18728 8143 1 9 . 1 1 7 7 PRO CB C 7 32.111 32.111 32.704 -0.593 18728 8144 1 9 . 1 1 8 8 LYS N N 8 121.819 121.819 118.021 3.798 18728 8145 1 9 . 1 1 8 8 LYS HA H 8 4.290 4.290 4.433 -0.143 18728 8146 1 9 . 1 1 8 8 LYS C C 8 177.015 177.015 175.974 1.041 18728 8147 1 9 . 1 1 8 8 LYS CA C 8 56.455 56.455 56.399 0.056 18728 8148 1 9 . 1 1 8 8 LYS CB C 8 33.341 33.341 32.691 0.650 18728 8149 1 9 . 1 1 8 8 LYS H H 8 8.445 8.445 8.481 -0.036 18728 8150 1 9 . 1 1 9 9 GLU N N 9 121.243 121.243 122.181 -0.938 18728 8151 1 9 . 1 1 9 9 GLU HA H 9 4.606 4.606 4.660 -0.054 18728 8152 1 9 . 1 1 9 9 GLU CA C 9 54.480 54.480 53.850 0.630 18728 8153 1 9 . 1 1 9 9 GLU CB C 9 29.572 29.572 29.470 0.102 18728 8154 1 9 . 1 1 9 9 GLU H H 9 8.313 8.313 8.026 0.287 18728 8155 1 9 . 1 1 10 10 PRO HA H 10 4.335 4.335 4.437 -0.102 18728 8156 1 9 . 1 1 10 10 PRO C C 10 177.491 177.491 178.168 -0.677 18728 8157 1 9 . 1 1 10 10 PRO CA C 10 63.587 63.587 62.378 1.209 18728 8158 1 9 . 1 1 10 10 PRO CB C 10 32.374 32.374 32.362 0.012 18728 8159 1 9 . 1 1 11 11 GLU N N 11 123.071 123.071 121.784 1.287 18728 8160 1 9 . 1 1 11 11 GLU HA H 11 3.686 3.686 3.921 -0.235 18728 8161 1 9 . 1 1 11 11 GLU C C 11 177.984 177.984 177.787 0.197 18728 8162 1 9 . 1 1 11 11 GLU CA C 11 59.651 59.651 60.005 -0.354 18728 8163 1 9 . 1 1 11 11 GLU CB C 11 29.819 29.819 28.532 1.287 18728 8164 1 9 . 1 1 11 11 GLU H H 11 8.692 8.692 8.880 -0.188 18728 8165 1 9 . 1 1 12 12 GLN N N 12 116.079 116.079 115.860 0.219 18728 8166 1 9 . 1 1 12 12 GLN HA H 12 3.979 3.979 4.196 -0.217 18728 8167 1 9 . 1 1 12 12 GLN C C 12 177.579 177.579 177.990 -0.411 18728 8168 1 9 . 1 1 12 12 GLN CA C 12 58.526 58.526 58.098 0.428 18728 8169 1 9 . 1 1 12 12 GLN CB C 12 28.112 28.112 28.118 -0.006 18728 8170 1 9 . 1 1 12 12 GLN H H 12 8.647 8.647 8.556 0.091 18728 8171 1 9 . 1 1 13 13 LEU N N 13 116.530 116.530 119.129 -2.599 18728 8172 1 9 . 1 1 13 13 LEU HA H 13 4.264 4.264 4.451 -0.187 18728 8173 1 9 . 1 1 13 13 LEU C C 13 177.080 177.080 176.655 0.425 18728 8174 1 9 . 1 1 13 13 LEU CA C 13 55.945 55.945 55.804 0.141 18728 8175 1 9 . 1 1 13 13 LEU CB C 13 42.317 42.317 42.555 -0.238 18728 8176 1 9 . 1 1 13 13 LEU H H 13 7.471 7.471 7.875 -0.404 18728 8177 1 9 . 1 1 14 14 ARG N N 14 116.981 116.981 114.574 2.407 18728 8178 1 9 . 1 1 14 14 ARG HA H 14 4.417 4.417 4.520 -0.103 18728 8179 1 9 . 1 1 14 14 ARG C C 14 172.996 172.996 175.813 -2.817 18728 8180 1 9 . 1 1 14 14 ARG CA C 14 56.067 56.067 55.776 0.291 18728 8181 1 9 . 1 1 14 14 ARG CB C 14 29.944 29.944 31.208 -1.264 18728 8182 1 9 . 1 1 14 14 ARG H H 14 7.576 7.576 7.549 0.027 18728 8183 1 9 . 1 1 15 15 LYS N N 15 119.990 119.990 122.056 -2.066 18728 8184 1 9 . 1 1 15 15 LYS HA H 15 5.198 5.198 5.224 -0.026 18728 8185 1 9 . 1 1 15 15 LYS CA C 15 55.301 55.301 55.203 0.098 18728 8186 1 9 . 1 1 15 15 LYS CB C 15 35.888 35.888 35.543 0.345 18728 8187 1 9 . 1 1 15 15 LYS H H 15 6.946 6.946 8.016 -1.070 18728 8188 1 9 . 1 1 16 16 LEU N N 16 126.081 126.081 123.421 2.660 18728 8189 1 9 . 1 1 16 16 LEU HA H 16 5.016 5.016 5.157 -0.141 18728 8190 1 9 . 1 1 16 16 LEU C C 16 176.309 176.309 175.621 0.688 18728 8191 1 9 . 1 1 16 16 LEU CA C 16 53.334 53.334 53.182 0.152 18728 8192 1 9 . 1 1 16 16 LEU CB C 16 45.062 45.062 45.694 -0.632 18728 8193 1 9 . 1 1 16 16 LEU H H 16 9.605 9.605 8.957 0.648 18728 8194 1 9 . 1 1 17 17 PHE N N 17 123.569 123.569 124.765 -1.196 18728 8195 1 9 . 1 1 17 17 PHE HA H 17 4.585 4.585 5.244 -0.659 18728 8196 1 9 . 1 1 17 17 PHE C C 17 174.362 174.362 174.012 0.350 18728 8197 1 9 . 1 1 17 17 PHE CA C 17 57.153 57.153 56.014 1.139 18728 8198 1 9 . 1 1 17 17 PHE CB C 17 40.603 40.603 41.314 -0.711 18728 8199 1 9 . 1 1 17 17 PHE H H 17 9.023 9.023 9.361 -0.338 18728 8200 1 9 . 1 1 18 18 ILE N N 18 126.932 126.932 128.063 -1.131 18728 8201 1 9 . 1 1 18 18 ILE HA H 18 4.029 4.029 4.288 -0.259 18728 8202 1 9 . 1 1 18 18 ILE C C 18 173.832 173.832 174.876 -1.044 18728 8203 1 9 . 1 1 18 18 ILE CA C 18 59.156 59.156 57.944 1.212 18728 8204 1 9 . 1 1 18 18 ILE CB C 18 36.909 36.909 36.975 -0.066 18728 8205 1 9 . 1 1 18 18 ILE H H 18 8.486 8.486 8.686 -0.200 18728 8206 1 9 . 1 1 19 19 GLY N N 19 112.953 112.953 112.593 0.360 18728 8207 1 9 . 1 1 19 19 GLY C C 19 174.426 174.426 173.877 0.549 18728 8208 1 9 . 1 1 19 19 GLY CA C 19 43.611 43.611 43.144 0.467 18728 8209 1 9 . 1 1 19 19 GLY H H 19 7.948 7.948 8.648 -0.700 18728 8210 1 9 . 1 1 20 20 GLY N N 20 107.584 107.584 110.894 -3.310 18728 8211 1 9 . 1 1 20 20 GLY C C 20 175.563 175.563 174.352 1.211 18728 8212 1 9 . 1 1 20 20 GLY CA C 20 46.530 46.530 45.085 1.445 18728 8213 1 9 . 1 1 20 20 GLY H H 20 8.542 8.542 8.119 0.423 18728 8214 1 9 . 1 1 21 21 LEU N N 21 115.232 115.232 119.883 -4.651 18728 8215 1 9 . 1 1 21 21 LEU HA H 21 4.025 4.025 4.282 -0.257 18728 8216 1 9 . 1 1 21 21 LEU C C 21 179.121 179.121 177.393 1.728 18728 8217 1 9 . 1 1 21 21 LEU CA C 21 54.192 54.192 54.475 -0.283 18728 8218 1 9 . 1 1 21 21 LEU CB C 21 42.892 42.892 42.643 0.249 18728 8219 1 9 . 1 1 21 21 LEU H H 21 7.472 7.472 8.013 -0.541 18728 8220 1 9 . 1 1 22 22 SER N N 22 114.737 114.737 116.582 -1.845 18728 8221 1 9 . 1 1 22 22 SER HA H 22 4.125 4.125 4.465 -0.340 18728 8222 1 9 . 1 1 22 22 SER C C 22 177.842 177.842 175.291 2.551 18728 8223 1 9 . 1 1 22 22 SER CA C 22 57.635 57.635 57.688 -0.053 18728 8224 1 9 . 1 1 22 22 SER CB C 22 63.106 63.106 64.712 -1.606 18728 8225 1 9 . 1 1 22 22 SER H H 22 9.136 9.136 8.291 0.845 18728 8226 1 9 . 1 1 23 23 PHE N N 23 128.194 128.194 120.918 7.276 18728 8227 1 9 . 1 1 23 23 PHE HA H 23 4.307 4.307 4.505 -0.198 18728 8228 1 9 . 1 1 23 23 PHE C C 23 175.626 175.626 175.650 -0.024 18728 8229 1 9 . 1 1 23 23 PHE CA C 23 60.205 60.205 60.006 0.199 18728 8230 1 9 . 1 1 23 23 PHE CB C 23 37.570 37.570 39.525 -1.955 18728 8231 1 9 . 1 1 23 23 PHE H H 23 9.034 9.034 8.916 0.118 18728 8232 1 9 . 1 1 24 24 GLU N N 24 116.093 116.093 116.781 -0.688 18728 8233 1 9 . 1 1 24 24 GLU HA H 24 4.255 4.255 4.427 -0.172 18728 8234 1 9 . 1 1 24 24 GLU C C 24 177.429 177.429 175.888 1.541 18728 8235 1 9 . 1 1 24 24 GLU CA C 24 56.522 56.522 55.058 1.464 18728 8236 1 9 . 1 1 24 24 GLU CB C 24 29.980 29.980 30.321 -0.341 18728 8237 1 9 . 1 1 24 24 GLU H H 24 8.295 8.295 7.614 0.681 18728 8238 1 9 . 1 1 25 25 THR N N 25 118.836 118.836 117.568 1.268 18728 8239 1 9 . 1 1 25 25 THR HA H 25 4.091 4.091 4.500 -0.409 18728 8240 1 9 . 1 1 25 25 THR C C 25 174.238 174.238 174.815 -0.577 18728 8241 1 9 . 1 1 25 25 THR CA C 25 64.862 64.862 63.401 1.461 18728 8242 1 9 . 1 1 25 25 THR CB C 25 68.584 68.584 69.364 -0.780 18728 8243 1 9 . 1 1 25 25 THR H H 25 7.280 7.280 7.328 -0.048 18728 8244 1 9 . 1 1 26 26 THR N N 26 119.434 119.434 116.633 2.801 18728 8245 1 9 . 1 1 26 26 THR HA H 26 4.484 4.484 4.559 -0.075 18728 8246 1 9 . 1 1 26 26 THR C C 26 174.563 174.563 175.099 -0.536 18728 8247 1 9 . 1 1 26 26 THR CA C 26 59.361 59.361 59.695 -0.334 18728 8248 1 9 . 1 1 26 26 THR CB C 26 72.727 72.727 72.127 0.600 18728 8249 1 9 . 1 1 26 26 THR H H 26 8.447 8.447 7.985 0.462 18728 8250 1 9 . 1 1 27 27 ASP N N 27 120.342 120.342 121.155 -0.813 18728 8251 1 9 . 1 1 27 27 ASP HA H 27 3.920 3.920 4.354 -0.434 18728 8252 1 9 . 1 1 27 27 ASP C C 27 178.347 178.347 178.065 0.282 18728 8253 1 9 . 1 1 27 27 ASP CA C 27 58.148 58.148 57.078 1.070 18728 8254 1 9 . 1 1 27 27 ASP CB C 27 39.954 39.954 40.459 -0.506 18728 8255 1 9 . 1 1 27 27 ASP H H 27 8.794 8.794 8.713 0.081 18728 8256 1 9 . 1 1 28 28 GLU N N 28 116.494 116.494 119.150 -2.656 18728 8257 1 9 . 1 1 28 28 GLU HA H 28 3.993 3.993 4.071 -0.078 18728 8258 1 9 . 1 1 28 28 GLU C C 28 178.987 178.987 178.655 0.332 18728 8259 1 9 . 1 1 28 28 GLU CA C 28 60.281 60.281 59.238 1.043 18728 8260 1 9 . 1 1 28 28 GLU CB C 28 29.193 29.193 29.203 -0.010 18728 8261 1 9 . 1 1 28 28 GLU H H 28 8.444 8.444 8.823 -0.379 18728 8262 1 9 . 1 1 29 29 SER N N 29 120.532 120.532 116.491 4.041 18728 8263 1 9 . 1 1 29 29 SER HA H 29 4.333 4.333 4.370 -0.037 18728 8264 1 9 . 1 1 29 29 SER C C 29 178.125 178.125 176.717 1.408 18728 8265 1 9 . 1 1 29 29 SER CA C 29 61.720 61.720 61.356 0.364 18728 8266 1 9 . 1 1 29 29 SER H H 29 8.384 8.384 7.653 0.731 18728 8267 1 9 . 1 1 30 30 LEU N N 30 126.754 126.754 124.287 2.467 18728 8268 1 9 . 1 1 30 30 LEU HA H 30 4.080 4.080 4.181 -0.101 18728 8269 1 9 . 1 1 30 30 LEU C C 30 178.341 178.341 177.735 0.606 18728 8270 1 9 . 1 1 30 30 LEU CA C 30 58.073 58.073 57.802 0.271 18728 8271 1 9 . 1 1 30 30 LEU CB C 30 42.524 42.524 41.797 0.727 18728 8272 1 9 . 1 1 30 30 LEU H H 30 8.487 8.487 8.467 0.020 18728 8273 1 9 . 1 1 31 31 ARG N N 31 121.192 121.192 119.057 2.135 18728 8274 1 9 . 1 1 31 31 ARG HA H 31 3.863 3.863 3.894 -0.031 18728 8275 1 9 . 1 1 31 31 ARG C C 31 177.765 177.765 178.254 -0.489 18728 8276 1 9 . 1 1 31 31 ARG CA C 31 59.706 59.706 60.379 -0.673 18728 8277 1 9 . 1 1 31 31 ARG CB C 31 30.648 30.648 30.141 0.507 18728 8278 1 9 . 1 1 31 31 ARG H H 31 7.980 7.980 8.444 -0.464 18728 8279 1 9 . 1 1 32 32 SER N N 32 112.868 112.868 113.524 -0.656 18728 8280 1 9 . 1 1 32 32 SER HA H 32 4.104 4.104 4.148 -0.044 18728 8281 1 9 . 1 1 32 32 SER C C 32 176.416 176.416 175.954 0.462 18728 8282 1 9 . 1 1 32 32 SER CA C 32 61.437 61.437 62.359 -0.922 18728 8283 1 9 . 1 1 32 32 SER CB C 32 62.933 62.933 63.050 -0.117 18728 8284 1 9 . 1 1 32 32 SER H H 32 8.295 8.295 7.931 0.364 18728 8285 1 9 . 1 1 33 33 HIS N N 33 115.910 115.910 120.700 -4.790 18728 8286 1 9 . 1 1 33 33 HIS HA H 33 4.346 4.346 4.351 -0.005 18728 8287 1 9 . 1 1 33 33 HIS C C 33 177.510 177.510 177.611 -0.101 18728 8288 1 9 . 1 1 33 33 HIS CA C 33 60.373 60.373 59.710 0.663 18728 8289 1 9 . 1 1 33 33 HIS CB C 33 30.776 30.776 30.322 0.454 18728 8290 1 9 . 1 1 33 33 HIS H H 33 7.406 7.406 7.877 -0.471 18728 8291 1 9 . 1 1 34 34 PHE N N 34 113.562 113.562 118.853 -5.291 18728 8292 1 9 . 1 1 34 34 PHE HA H 34 4.526 4.526 4.758 -0.232 18728 8293 1 9 . 1 1 34 34 PHE C C 34 179.061 179.061 178.244 0.817 18728 8294 1 9 . 1 1 34 34 PHE CA C 34 64.104 64.104 61.826 2.278 18728 8295 1 9 . 1 1 34 34 PHE CB C 34 38.379 38.379 39.041 -0.662 18728 8296 1 9 . 1 1 34 34 PHE H H 34 8.227 8.227 8.332 -0.105 18728 8297 1 9 . 1 1 35 35 GLU N N 35 124.490 124.490 120.416 4.074 18728 8298 1 9 . 1 1 35 35 GLU HA H 35 4.962 4.962 4.455 0.507 18728 8299 1 9 . 1 1 35 35 GLU C C 35 176.476 176.476 177.696 -1.220 18728 8300 1 9 . 1 1 35 35 GLU CA C 35 57.950 57.950 58.194 -0.244 18728 8301 1 9 . 1 1 35 35 GLU CB C 35 28.690 28.690 29.297 -0.607 18728 8302 1 9 . 1 1 35 35 GLU H H 35 9.219 9.219 8.676 0.543 18728 8303 1 9 . 1 1 36 36 GLN N N 36 116.596 116.596 117.469 -0.873 18728 8304 1 9 . 1 1 36 36 GLN HA H 36 3.706 3.706 3.951 -0.245 18728 8305 1 9 . 1 1 36 36 GLN C C 36 176.486 176.486 177.282 -0.796 18728 8306 1 9 . 1 1 36 36 GLN CA C 36 58.206 58.206 57.701 0.505 18728 8307 1 9 . 1 1 36 36 GLN CB C 36 27.731 27.731 28.237 -0.506 18728 8308 1 9 . 1 1 36 36 GLN H H 36 7.011 7.011 7.617 -0.606 18728 8309 1 9 . 1 1 37 37 TRP N N 37 114.690 114.690 117.151 -2.461 18728 8310 1 9 . 1 1 37 37 TRP HA H 37 4.481 4.481 4.861 -0.380 18728 8311 1 9 . 1 1 37 37 TRP C C 37 173.662 173.662 176.570 -2.908 18728 8312 1 9 . 1 1 37 37 TRP CA C 37 61.557 61.557 58.413 3.144 18728 8313 1 9 . 1 1 37 37 TRP CB C 37 29.074 29.074 31.342 -2.268 18728 8314 1 9 . 1 1 37 37 TRP H H 37 7.017 7.017 7.978 -0.961 18728 8315 1 9 . 1 1 38 38 GLY N N 38 105.060 105.060 105.186 -0.126 18728 8316 1 9 . 1 1 38 38 GLY C C 38 171.596 171.596 172.385 -0.789 18728 8317 1 9 . 1 1 38 38 GLY CA C 38 45.545 45.545 45.646 -0.101 18728 8318 1 9 . 1 1 38 38 GLY H H 38 7.294 7.294 7.689 -0.395 18728 8319 1 9 . 1 1 39 39 THR N N 39 117.179 117.179 119.205 -2.026 18728 8320 1 9 . 1 1 39 39 THR HA H 39 4.231 4.231 4.275 -0.044 18728 8321 1 9 . 1 1 39 39 THR C C 39 173.760 173.760 174.087 -0.327 18728 8322 1 9 . 1 1 39 39 THR CA C 39 62.904 62.904 64.600 -1.696 18728 8323 1 9 . 1 1 39 39 THR CB C 39 69.813 69.813 69.053 0.760 18728 8324 1 9 . 1 1 39 39 THR H H 39 8.770 8.770 8.781 -0.011 18728 8325 1 9 . 1 1 40 40 LEU N N 40 126.702 126.702 128.408 -1.706 18728 8326 1 9 . 1 1 40 40 LEU HA H 40 4.943 4.943 4.591 0.352 18728 8327 1 9 . 1 1 40 40 LEU C C 40 178.358 178.358 177.217 1.141 18728 8328 1 9 . 1 1 40 40 LEU CA C 40 52.969 52.969 54.004 -1.035 18728 8329 1 9 . 1 1 40 40 LEU CB C 40 41.893 41.893 42.256 -0.363 18728 8330 1 9 . 1 1 40 40 LEU H H 40 8.831 8.831 8.567 0.264 18728 8331 1 9 . 1 1 41 41 THR N N 41 117.175 117.175 113.997 3.178 18728 8332 1 9 . 1 1 41 41 THR HA H 41 4.197 4.197 4.307 -0.110 18728 8333 1 9 . 1 1 41 41 THR C C 41 175.050 175.050 174.540 0.510 18728 8334 1 9 . 1 1 41 41 THR CA C 41 62.668 62.668 62.795 -0.127 18728 8335 1 9 . 1 1 41 41 THR CB C 41 67.618 67.618 69.805 -2.187 18728 8336 1 9 . 1 1 41 41 THR H H 41 8.926 8.926 8.920 0.006 18728 8337 1 9 . 1 1 42 42 ASP N N 42 118.764 118.764 119.073 -0.309 18728 8338 1 9 . 1 1 42 42 ASP HA H 42 4.620 4.620 4.843 -0.223 18728 8339 1 9 . 1 1 42 42 ASP C C 42 174.637 174.637 173.594 1.043 18728 8340 1 9 . 1 1 42 42 ASP CA C 42 54.235 54.235 54.042 0.193 18728 8341 1 9 . 1 1 42 42 ASP CB C 42 44.253 44.253 44.551 -0.298 18728 8342 1 9 . 1 1 42 42 ASP H H 42 7.513 7.513 7.742 -0.229 18728 8343 1 9 . 1 1 43 43 CYS N N 43 123.632 123.632 123.065 0.567 18728 8344 1 9 . 1 1 43 43 CYS HA H 43 4.842 4.842 5.280 -0.438 18728 8345 1 9 . 1 1 43 43 CYS C C 43 171.885 171.885 172.257 -0.372 18728 8346 1 9 . 1 1 43 43 CYS CA C 43 59.376 59.376 58.017 1.359 18728 8347 1 9 . 1 1 43 43 CYS CB C 43 26.377 26.377 30.668 -4.291 18728 8348 1 9 . 1 1 43 43 CYS H H 43 8.436 8.436 8.413 0.023 18728 8349 1 9 . 1 1 44 44 VAL N N 44 126.787 126.787 127.048 -0.261 18728 8350 1 9 . 1 1 44 44 VAL HA H 44 4.576 4.576 4.504 0.072 18728 8351 1 9 . 1 1 44 44 VAL C C 44 173.371 173.371 173.616 -0.245 18728 8352 1 9 . 1 1 44 44 VAL CA C 44 60.151 60.151 60.501 -0.350 18728 8353 1 9 . 1 1 44 44 VAL CB C 44 36.424 36.424 35.886 0.538 18728 8354 1 9 . 1 1 44 44 VAL H H 44 8.737 8.737 8.850 -0.113 18728 8355 1 9 . 1 1 45 45 VAL N N 45 125.522 125.522 128.492 -2.970 18728 8356 1 9 . 1 1 45 45 VAL HA H 45 3.711 3.711 3.932 -0.221 18728 8357 1 9 . 1 1 45 45 VAL C C 45 176.674 176.674 175.206 1.468 18728 8358 1 9 . 1 1 45 45 VAL CA C 45 62.509 62.509 62.343 0.166 18728 8359 1 9 . 1 1 45 45 VAL CB C 45 33.175 33.175 32.537 0.638 18728 8360 1 9 . 1 1 45 45 VAL H H 45 8.269 8.269 8.440 -0.171 18728 8361 1 9 . 1 1 46 46 MET N N 46 126.833 126.833 127.180 -0.347 18728 8362 1 9 . 1 1 46 46 MET HA H 46 4.441 4.441 4.261 0.180 18728 8363 1 9 . 1 1 46 46 MET C C 46 175.413 175.413 174.843 0.570 18728 8364 1 9 . 1 1 46 46 MET CA C 46 54.852 54.852 54.501 0.351 18728 8365 1 9 . 1 1 46 46 MET CB C 46 30.454 30.454 29.294 1.159 18728 8366 1 9 . 1 1 46 46 MET H H 46 8.445 8.445 8.165 0.280 18728 8367 1 9 . 1 1 47 47 ARG N N 47 120.697 120.697 122.948 -2.251 18728 8368 1 9 . 1 1 47 47 ARG HA H 47 4.838 4.838 4.765 0.073 18728 8369 1 9 . 1 1 47 47 ARG CA C 47 54.308 54.308 54.471 -0.163 18728 8370 1 9 . 1 1 47 47 ARG CB C 47 34.048 34.048 32.398 1.650 18728 8371 1 9 . 1 1 47 47 ARG H H 47 8.308 8.308 7.964 0.344 18728 8372 1 9 . 1 1 48 48 ASP N N 48 125.146 125.146 121.843 3.303 18728 8373 1 9 . 1 1 48 48 ASP HA H 48 4.686 4.686 4.801 -0.115 18728 8374 1 9 . 1 1 48 48 ASP C C 48 176.046 176.046 176.138 -0.092 18728 8375 1 9 . 1 1 48 48 ASP CA C 48 52.106 52.106 52.337 -0.231 18728 8376 1 9 . 1 1 48 48 ASP CB C 48 42.878 42.878 42.213 0.665 18728 8377 1 9 . 1 1 48 48 ASP H H 48 8.577 8.577 8.413 0.164 18728 8378 1 9 . 1 1 49 49 PRO HA H 49 4.310 4.310 4.263 0.047 18728 8379 1 9 . 1 1 49 49 PRO C C 49 177.166 177.166 178.071 -0.905 18728 8380 1 9 . 1 1 49 49 PRO CA C 49 64.584 64.584 64.697 -0.113 18728 8381 1 9 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.148 -0.012 18728 8382 1 9 . 1 1 50 50 ASN N N 50 115.474 115.474 117.274 -1.800 18728 8383 1 9 . 1 1 50 50 ASN HA H 50 4.723 4.723 4.680 0.043 18728 8384 1 9 . 1 1 50 50 ASN C C 50 176.642 176.642 176.897 -0.255 18728 8385 1 9 . 1 1 50 50 ASN CA C 50 55.444 55.444 56.111 -0.667 18728 8386 1 9 . 1 1 50 50 ASN CB C 50 39.455 39.455 39.560 -0.105 18728 8387 1 9 . 1 1 50 50 ASN H H 50 8.560 8.560 9.106 -0.546 18728 8388 1 9 . 1 1 51 51 THR N N 51 108.788 108.788 109.937 -1.149 18728 8389 1 9 . 1 1 51 51 THR HA H 51 4.264 4.264 4.452 -0.188 18728 8390 1 9 . 1 1 51 51 THR C C 51 176.018 176.018 174.880 1.138 18728 8391 1 9 . 1 1 51 51 THR CA C 51 62.063 62.063 62.337 -0.274 18728 8392 1 9 . 1 1 51 51 THR CB C 51 70.768 70.768 70.040 0.728 18728 8393 1 9 . 1 1 51 51 THR H H 51 8.277 8.277 7.664 0.613 18728 8394 1 9 . 1 1 52 52 LYS N N 52 114.615 114.615 115.621 -1.006 18728 8395 1 9 . 1 1 52 52 LYS HA H 52 3.917 3.917 3.990 -0.073 18728 8396 1 9 . 1 1 52 52 LYS C C 52 175.376 175.376 175.536 -0.160 18728 8397 1 9 . 1 1 52 52 LYS CA C 52 57.902 57.902 57.052 0.850 18728 8398 1 9 . 1 1 52 52 LYS CB C 52 29.293 29.293 29.664 -0.371 18728 8399 1 9 . 1 1 52 52 LYS H H 52 8.091 8.091 8.208 -0.117 18728 8400 1 9 . 1 1 53 53 ARG N N 53 120.395 120.395 118.270 2.125 18728 8401 1 9 . 1 1 53 53 ARG HA H 53 4.169 4.169 4.348 -0.179 18728 8402 1 9 . 1 1 53 53 ARG C C 53 176.619 176.619 175.361 1.258 18728 8403 1 9 . 1 1 53 53 ARG CA C 53 56.233 56.233 53.053 3.180 18728 8404 1 9 . 1 1 53 53 ARG CB C 53 31.045 31.045 30.899 0.146 18728 8405 1 9 . 1 1 53 53 ARG H H 53 7.847 7.847 7.318 0.529 18728 8406 1 9 . 1 1 54 54 SER N N 54 116.987 116.987 115.535 1.452 18728 8407 1 9 . 1 1 54 54 SER HA H 54 4.186 4.186 4.186 -0.000 18728 8408 1 9 . 1 1 54 54 SER C C 54 175.755 175.755 175.352 0.403 18728 8409 1 9 . 1 1 54 54 SER CA C 54 58.559 58.559 58.371 0.188 18728 8410 1 9 . 1 1 54 54 SER CB C 54 63.922 63.922 63.560 0.362 18728 8411 1 9 . 1 1 54 54 SER H H 54 8.810 8.810 7.668 1.142 18728 8412 1 9 . 1 1 55 55 ARG N N 55 123.427 123.427 127.950 -4.523 18728 8413 1 9 . 1 1 55 55 ARG HA H 55 4.403 4.403 4.364 0.039 18728 8414 1 9 . 1 1 55 55 ARG C C 55 177.962 177.962 176.840 1.122 18728 8415 1 9 . 1 1 55 55 ARG CA C 55 56.096 56.096 55.718 0.378 18728 8416 1 9 . 1 1 55 55 ARG CB C 55 31.294 31.294 30.322 0.973 18728 8417 1 9 . 1 1 55 55 ARG H H 55 8.976 8.976 8.761 0.215 18728 8418 1 9 . 1 1 56 56 GLY N N 56 107.308 107.308 107.160 0.148 18728 8419 1 9 . 1 1 56 56 GLY C C 56 171.856 171.856 173.479 -1.623 18728 8420 1 9 . 1 1 56 56 GLY CA C 56 45.669 45.669 45.406 0.263 18728 8421 1 9 . 1 1 56 56 GLY H H 56 9.375 9.375 8.214 1.161 18728 8422 1 9 . 1 1 57 57 PHE N N 57 112.537 112.537 114.861 -2.324 18728 8423 1 9 . 1 1 57 57 PHE HA H 57 5.201 5.201 5.432 -0.231 18728 8424 1 9 . 1 1 57 57 PHE C C 57 172.646 172.646 172.917 -0.271 18728 8425 1 9 . 1 1 57 57 PHE CA C 57 54.918 54.918 54.764 0.154 18728 8426 1 9 . 1 1 57 57 PHE CB C 57 41.743 41.743 40.805 0.938 18728 8427 1 9 . 1 1 57 57 PHE H H 57 7.044 7.044 7.235 -0.191 18728 8428 1 9 . 1 1 58 58 GLY N N 58 106.816 106.816 106.520 0.296 18728 8429 1 9 . 1 1 58 58 GLY C C 58 169.931 169.931 171.123 -1.192 18728 8430 1 9 . 1 1 58 58 GLY CA C 58 45.304 45.304 44.559 0.745 18728 8431 1 9 . 1 1 58 58 GLY H H 58 8.345 8.345 8.273 0.072 18728 8432 1 9 . 1 1 59 59 PHE N N 59 115.179 115.179 115.371 -0.192 18728 8433 1 9 . 1 1 59 59 PHE HA H 59 5.645 5.645 5.594 0.051 18728 8434 1 9 . 1 1 59 59 PHE C C 59 174.929 174.929 174.233 0.696 18728 8435 1 9 . 1 1 59 59 PHE CA C 59 56.541 56.541 56.293 0.248 18728 8436 1 9 . 1 1 59 59 PHE CB C 59 43.984 43.984 43.841 0.143 18728 8437 1 9 . 1 1 59 59 PHE H H 59 8.903 8.903 8.577 0.326 18728 8438 1 9 . 1 1 60 60 VAL N N 60 115.310 115.310 116.570 -1.260 18728 8439 1 9 . 1 1 60 60 VAL HA H 60 4.540 4.540 4.787 -0.247 18728 8440 1 9 . 1 1 60 60 VAL C C 60 173.246 173.246 175.068 -1.822 18728 8441 1 9 . 1 1 60 60 VAL CA C 60 59.421 59.421 60.566 -1.145 18728 8442 1 9 . 1 1 60 60 VAL CB C 60 34.678 34.678 33.491 1.187 18728 8443 1 9 . 1 1 60 60 VAL H H 60 8.569 8.569 8.740 -0.171 18728 8444 1 9 . 1 1 61 61 THR N N 61 120.158 120.158 123.369 -3.211 18728 8445 1 9 . 1 1 61 61 THR HA H 61 5.068 5.068 4.857 0.211 18728 8446 1 9 . 1 1 61 61 THR C C 61 173.985 173.985 174.017 -0.032 18728 8447 1 9 . 1 1 61 61 THR CA C 61 61.033 61.033 61.990 -0.957 18728 8448 1 9 . 1 1 61 61 THR CB C 61 70.114 70.114 69.819 0.295 18728 8449 1 9 . 1 1 61 61 THR H H 61 8.180 8.180 8.897 -0.717 18728 8450 1 9 . 1 1 62 62 TYR N N 62 125.280 125.280 126.562 -1.282 18728 8451 1 9 . 1 1 62 62 TYR HA H 62 5.357 5.357 4.978 0.379 18728 8452 1 9 . 1 1 62 62 TYR C C 62 176.696 176.696 177.004 -0.308 18728 8453 1 9 . 1 1 62 62 TYR CA C 62 58.297 58.297 58.681 -0.384 18728 8454 1 9 . 1 1 62 62 TYR CB C 62 42.217 42.217 40.164 2.053 18728 8455 1 9 . 1 1 62 62 TYR H H 62 8.407 8.407 9.270 -0.863 18728 8456 1 9 . 1 1 63 63 ALA N N 63 121.648 121.648 121.064 0.584 18728 8457 1 9 . 1 1 63 63 ALA HA H 63 4.052 4.052 4.514 -0.462 18728 8458 1 9 . 1 1 63 63 ALA C C 63 178.252 178.252 177.179 1.073 18728 8459 1 9 . 1 1 63 63 ALA CA C 63 55.269 55.269 52.892 2.377 18728 8460 1 9 . 1 1 63 63 ALA CB C 63 19.068 19.068 20.139 -1.071 18728 8461 1 9 . 1 1 63 63 ALA H H 63 8.749 8.749 8.717 0.032 18728 8462 1 9 . 1 1 64 64 THR N N 64 105.238 105.238 110.816 -5.578 18728 8463 1 9 . 1 1 64 64 THR HA H 64 4.902 4.902 4.870 0.032 18728 8464 1 9 . 1 1 64 64 THR C C 64 174.667 174.667 174.544 0.123 18728 8465 1 9 . 1 1 64 64 THR CA C 64 59.184 59.184 60.786 -1.602 18728 8466 1 9 . 1 1 64 64 THR CB C 64 73.193 73.193 72.288 0.905 18728 8467 1 9 . 1 1 64 64 THR H H 64 7.992 7.992 7.739 0.253 18728 8468 1 9 . 1 1 65 65 VAL N N 65 120.939 120.939 123.881 -2.942 18728 8469 1 9 . 1 1 65 65 VAL HA H 65 3.670 3.670 3.728 -0.058 18728 8470 1 9 . 1 1 65 65 VAL C C 65 177.446 177.446 176.828 0.618 18728 8471 1 9 . 1 1 65 65 VAL CA C 65 65.535 65.535 65.033 0.502 18728 8472 1 9 . 1 1 65 65 VAL CB C 65 31.538 31.538 32.359 -0.822 18728 8473 1 9 . 1 1 65 65 VAL H H 65 8.968 8.968 9.421 -0.453 18728 8474 1 9 . 1 1 66 66 GLU N N 66 120.818 120.818 118.579 2.239 18728 8475 1 9 . 1 1 66 66 GLU HA H 66 4.045 4.045 3.849 0.196 18728 8476 1 9 . 1 1 66 66 GLU C C 66 180.056 180.056 178.883 1.173 18728 8477 1 9 . 1 1 66 66 GLU CA C 66 60.430 60.430 60.032 0.398 18728 8478 1 9 . 1 1 66 66 GLU CB C 66 28.909 28.909 28.892 0.017 18728 8479 1 9 . 1 1 66 66 GLU H H 66 8.686 8.686 8.902 -0.216 18728 8480 1 9 . 1 1 67 67 GLU N N 67 120.729 120.729 118.603 2.126 18728 8481 1 9 . 1 1 67 67 GLU HA H 67 3.853 3.853 4.028 -0.175 18728 8482 1 9 . 1 1 67 67 GLU C C 67 177.040 177.040 178.590 -1.550 18728 8483 1 9 . 1 1 67 67 GLU CA C 67 59.391 59.391 58.490 0.901 18728 8484 1 9 . 1 1 67 67 GLU CB C 67 29.590 29.590 29.526 0.064 18728 8485 1 9 . 1 1 67 67 GLU H H 67 7.487 7.487 7.561 -0.074 18728 8486 1 9 . 1 1 68 68 VAL N N 68 118.408 118.408 120.185 -1.777 18728 8487 1 9 . 1 1 68 68 VAL HA H 68 3.165 3.165 3.128 0.037 18728 8488 1 9 . 1 1 68 68 VAL C C 68 178.293 178.293 177.384 0.909 18728 8489 1 9 . 1 1 68 68 VAL CA C 68 66.391 66.391 66.690 -0.299 18728 8490 1 9 . 1 1 68 68 VAL CB C 68 31.092 31.092 31.793 -0.701 18728 8491 1 9 . 1 1 68 68 VAL H H 68 6.882 6.882 7.060 -0.178 18728 8492 1 9 . 1 1 69 69 ASP N N 69 119.356 119.356 120.177 -0.821 18728 8493 1 9 . 1 1 69 69 ASP HA H 69 4.128 4.128 4.219 -0.091 18728 8494 1 9 . 1 1 69 69 ASP C C 69 178.765 178.765 178.150 0.615 18728 8495 1 9 . 1 1 69 69 ASP CA C 69 57.394 57.394 57.729 -0.335 18728 8496 1 9 . 1 1 69 69 ASP CB C 69 39.879 39.879 40.814 -0.935 18728 8497 1 9 . 1 1 69 69 ASP H H 69 8.109 8.109 8.224 -0.115 18728 8498 1 9 . 1 1 70 70 ALA N N 70 123.031 123.031 121.316 1.715 18728 8499 1 9 . 1 1 70 70 ALA HA H 70 4.070 4.070 4.038 0.032 18728 8500 1 9 . 1 1 70 70 ALA C C 70 180.518 180.518 179.027 1.491 18728 8501 1 9 . 1 1 70 70 ALA CA C 70 55.209 55.209 55.169 0.041 18728 8502 1 9 . 1 1 70 70 ALA CB C 70 18.104 18.104 18.297 -0.194 18728 8503 1 9 . 1 1 70 70 ALA H H 70 7.736 7.736 7.949 -0.213 18728 8504 1 9 . 1 1 71 71 ALA N N 71 121.446 121.446 118.563 2.883 18728 8505 1 9 . 1 1 71 71 ALA HA H 71 3.034 3.034 3.885 -0.851 18728 8506 1 9 . 1 1 71 71 ALA C C 71 182.248 182.248 179.755 2.493 18728 8507 1 9 . 1 1 71 71 ALA CA C 71 55.251 55.251 54.348 0.903 18728 8508 1 9 . 1 1 71 71 ALA CB C 71 17.976 17.976 18.715 -0.739 18728 8509 1 9 . 1 1 71 71 ALA H H 71 8.101 8.101 7.083 1.018 18728 8510 1 9 . 1 1 72 72 MET N N 72 118.027 118.027 117.134 0.893 18728 8511 1 9 . 1 1 72 72 MET HA H 72 4.430 4.430 4.208 0.222 18728 8512 1 9 . 1 1 72 72 MET C C 72 179.409 179.409 177.881 1.528 18728 8513 1 9 . 1 1 72 72 MET CA C 72 56.379 56.379 58.184 -1.805 18728 8514 1 9 . 1 1 72 72 MET CB C 72 30.498 30.498 32.382 -1.884 18728 8515 1 9 . 1 1 72 72 MET H H 72 8.681 8.681 8.356 0.325 18728 8516 1 9 . 1 1 73 73 ASN N N 73 119.415 119.415 116.455 2.960 18728 8517 1 9 . 1 1 73 73 ASN HA H 73 4.627 4.627 4.571 0.056 18728 8518 1 9 . 1 1 73 73 ASN C C 73 175.014 175.014 176.747 -1.733 18728 8519 1 9 . 1 1 73 73 ASN CA C 73 54.323 54.323 55.044 -0.720 18728 8520 1 9 . 1 1 73 73 ASN CB C 73 38.468 38.468 38.840 -0.372 18728 8521 1 9 . 1 1 73 73 ASN H H 73 8.096 8.096 8.364 -0.268 18728 8522 1 9 . 1 1 74 74 ALA N N 74 122.253 122.253 120.890 1.363 18728 8523 1 9 . 1 1 74 74 ALA HA H 74 4.299 4.299 4.266 0.033 18728 8524 1 9 . 1 1 74 74 ALA C C 74 175.305 175.305 176.855 -1.550 18728 8525 1 9 . 1 1 74 74 ALA CA C 74 51.273 51.273 51.259 0.014 18728 8526 1 9 . 1 1 74 74 ALA CB C 74 18.922 18.922 18.690 0.232 18728 8527 1 9 . 1 1 74 74 ALA H H 74 6.966 6.966 7.337 -0.371 18728 8528 1 9 . 1 1 75 75 ARG N N 75 116.833 116.833 120.308 -3.475 18728 8529 1 9 . 1 1 75 75 ARG HA H 75 3.608 3.608 4.176 -0.568 18728 8530 1 9 . 1 1 75 75 ARG CA C 75 55.086 55.086 55.586 -0.500 18728 8531 1 9 . 1 1 75 75 ARG CB C 75 30.199 30.199 30.438 -0.239 18728 8532 1 9 . 1 1 75 75 ARG H H 75 6.749 6.749 7.169 -0.420 18728 8533 1 9 . 1 1 76 76 PRO HA H 76 4.434 4.434 4.521 -0.087 18728 8534 1 9 . 1 1 76 76 PRO C C 76 175.590 175.590 175.713 -0.123 18728 8535 1 9 . 1 1 76 76 PRO CA C 76 61.614 61.614 62.613 -0.999 18728 8536 1 9 . 1 1 76 76 PRO CB C 76 34.982 34.982 33.039 1.943 18728 8537 1 9 . 1 1 77 77 HIS N N 77 122.039 122.039 116.516 5.523 18728 8538 1 9 . 1 1 77 77 HIS HA H 77 4.559 4.559 4.901 -0.342 18728 8539 1 9 . 1 1 77 77 HIS C C 77 173.137 173.137 173.637 -0.500 18728 8540 1 9 . 1 1 77 77 HIS CA C 77 56.231 56.231 55.486 0.745 18728 8541 1 9 . 1 1 77 77 HIS CB C 77 32.909 32.909 34.250 -1.341 18728 8542 1 9 . 1 1 77 77 HIS H H 77 9.384 9.384 8.325 1.059 18728 8543 1 9 . 1 1 78 78 LYS N N 78 125.607 125.607 123.371 2.236 18728 8544 1 9 . 1 1 78 78 LYS HA H 78 4.939 4.939 5.234 -0.295 18728 8545 1 9 . 1 1 78 78 LYS C C 78 174.858 174.858 174.279 0.579 18728 8546 1 9 . 1 1 78 78 LYS CA C 78 54.755 54.755 55.738 -0.983 18728 8547 1 9 . 1 1 78 78 LYS CB C 78 33.475 33.475 34.767 -1.292 18728 8548 1 9 . 1 1 78 78 LYS H H 78 8.485 8.485 8.812 -0.327 18728 8549 1 9 . 1 1 79 79 VAL N N 79 124.596 124.596 125.499 -0.903 18728 8550 1 9 . 1 1 79 79 VAL HA H 79 3.955 3.955 3.736 0.219 18728 8551 1 9 . 1 1 79 79 VAL C C 79 176.295 176.295 175.386 0.909 18728 8552 1 9 . 1 1 79 79 VAL CA C 79 60.737 60.737 61.331 -0.594 18728 8553 1 9 . 1 1 79 79 VAL CB C 79 33.249 33.249 33.382 -0.133 18728 8554 1 9 . 1 1 79 79 VAL H H 79 8.581 8.581 8.075 0.506 18728 8555 1 9 . 1 1 80 80 ASP N N 80 128.668 128.668 125.992 2.676 18728 8556 1 9 . 1 1 80 80 ASP HA H 80 4.228 4.228 4.333 -0.105 18728 8557 1 9 . 1 1 80 80 ASP C C 80 175.744 175.744 176.289 -0.545 18728 8558 1 9 . 1 1 80 80 ASP CA C 80 55.882 55.882 55.141 0.742 18728 8559 1 9 . 1 1 80 80 ASP CB C 80 39.692 39.692 39.932 -0.240 18728 8560 1 9 . 1 1 80 80 ASP H H 80 9.553 9.553 9.117 0.436 18728 8561 1 9 . 1 1 81 81 GLY N N 81 101.527 101.527 104.393 -2.866 18728 8562 1 9 . 1 1 81 81 GLY C C 81 173.560 173.560 173.400 0.160 18728 8563 1 9 . 1 1 81 81 GLY CA C 81 45.445 45.445 45.329 0.116 18728 8564 1 9 . 1 1 81 81 GLY H H 81 8.488 8.488 8.578 -0.090 18728 8565 1 9 . 1 1 82 82 ARG N N 82 120.493 120.493 119.738 0.755 18728 8566 1 9 . 1 1 82 82 ARG HA H 82 4.640 4.640 4.644 -0.004 18728 8567 1 9 . 1 1 82 82 ARG C C 82 174.512 174.512 174.578 -0.066 18728 8568 1 9 . 1 1 82 82 ARG CA C 82 53.161 53.161 54.521 -1.360 18728 8569 1 9 . 1 1 82 82 ARG CB C 82 32.507 32.507 33.369 -0.862 18728 8570 1 9 . 1 1 82 82 ARG H H 82 7.555 7.555 7.451 0.104 18728 8571 1 9 . 1 1 83 83 VAL N N 83 124.855 124.855 126.521 -1.666 18728 8572 1 9 . 1 1 83 83 VAL HA H 83 4.501 4.501 4.309 0.192 18728 8573 1 9 . 1 1 83 83 VAL C C 83 176.701 176.701 175.569 1.132 18728 8574 1 9 . 1 1 83 83 VAL CA C 83 63.290 63.290 63.070 0.220 18728 8575 1 9 . 1 1 83 83 VAL CB C 83 30.867 30.867 31.557 -0.690 18728 8576 1 9 . 1 1 83 83 VAL H H 83 8.633 8.633 8.604 0.029 18728 8577 1 9 . 1 1 84 84 VAL N N 84 122.944 122.944 124.985 -2.041 18728 8578 1 9 . 1 1 84 84 VAL HA H 84 4.667 4.667 4.915 -0.248 18728 8579 1 9 . 1 1 84 84 VAL C C 84 174.969 174.969 174.546 0.423 18728 8580 1 9 . 1 1 84 84 VAL CA C 84 59.499 59.499 59.391 0.108 18728 8581 1 9 . 1 1 84 84 VAL CB C 84 32.761 32.761 34.755 -1.994 18728 8582 1 9 . 1 1 84 84 VAL H H 84 8.391 8.391 8.456 -0.065 18728 8583 1 9 . 1 1 85 85 GLU N N 85 120.907 120.907 122.904 -1.997 18728 8584 1 9 . 1 1 85 85 GLU HA H 85 5.087 5.087 4.950 0.137 18728 8585 1 9 . 1 1 85 85 GLU CA C 85 52.949 52.949 52.297 0.652 18728 8586 1 9 . 1 1 85 85 GLU CB C 85 31.367 31.367 31.852 -0.484 18728 8587 1 9 . 1 1 85 85 GLU H H 85 8.681 8.681 9.010 -0.329 18728 8588 1 9 . 1 1 86 86 PRO HA H 86 5.383 5.383 4.913 0.470 18728 8589 1 9 . 1 1 86 86 PRO C C 86 175.908 175.908 175.978 -0.070 18728 8590 1 9 . 1 1 86 86 PRO CA C 86 61.444 61.444 62.710 -1.266 18728 8591 1 9 . 1 1 86 86 PRO CB C 86 32.657 32.657 32.584 0.073 18728 8592 1 9 . 1 1 87 87 LYS N N 87 121.252 121.252 120.910 0.342 18728 8593 1 9 . 1 1 87 87 LYS HA H 87 4.688 4.688 5.063 -0.375 18728 8594 1 9 . 1 1 87 87 LYS C C 87 175.676 175.676 175.800 -0.124 18728 8595 1 9 . 1 1 87 87 LYS CA C 87 55.101 55.101 54.276 0.825 18728 8596 1 9 . 1 1 87 87 LYS CB C 87 36.608 36.608 36.319 0.289 18728 8597 1 9 . 1 1 87 87 LYS H H 87 9.397 9.397 8.867 0.530 18728 8598 1 9 . 1 1 88 88 ARG N N 88 123.272 123.272 121.184 2.088 18728 8599 1 9 . 1 1 88 88 ARG HA H 88 4.375 4.375 4.368 0.007 18728 8600 1 9 . 1 1 88 88 ARG C C 88 177.011 177.011 176.335 0.676 18728 8601 1 9 . 1 1 88 88 ARG CA C 88 57.209 57.209 55.706 1.503 18728 8602 1 9 . 1 1 88 88 ARG CB C 88 30.452 30.452 30.729 -0.277 18728 8603 1 9 . 1 1 88 88 ARG H H 88 8.940 8.940 8.841 0.099 18728 8604 1 9 . 1 1 89 89 ALA N N 89 126.260 126.260 131.009 -4.749 18728 8605 1 9 . 1 1 89 89 ALA HA H 89 4.259 4.259 4.417 -0.158 18728 8606 1 9 . 1 1 89 89 ALA C C 89 177.452 177.452 177.017 0.435 18728 8607 1 9 . 1 1 89 89 ALA CA C 89 53.712 53.712 52.657 1.055 18728 8608 1 9 . 1 1 89 89 ALA CB C 89 18.824 18.824 18.574 0.250 18728 8609 1 9 . 1 1 89 89 ALA H H 89 8.424 8.424 8.153 0.271 18728 8610 1 9 . 1 1 90 90 VAL N N 90 115.835 115.835 124.312 -8.477 18728 8611 1 9 . 1 1 90 90 VAL HA H 90 4.182 4.182 3.903 0.279 18728 8612 1 9 . 1 1 90 90 VAL C C 90 175.397 175.397 175.903 -0.506 18728 8613 1 9 . 1 1 90 90 VAL CA C 90 61.516 61.516 63.834 -2.318 18728 8614 1 9 . 1 1 90 90 VAL CB C 90 33.448 33.448 32.061 1.387 18728 8615 1 9 . 1 1 90 90 VAL H H 90 7.892 7.892 7.887 0.005 18728 8616 1 9 . 1 1 91 91 SER N N 91 119.224 119.224 121.207 -1.983 18728 8617 1 9 . 1 1 91 91 SER HA H 91 4.420 4.420 4.588 -0.168 18728 8618 1 9 . 1 1 91 91 SER CA C 91 57.888 57.888 56.553 1.335 18728 8619 1 9 . 1 1 91 91 SER CB C 91 63.788 63.788 64.527 -0.739 18728 8620 1 9 . 1 1 91 91 SER H H 91 8.327 8.327 9.129 -0.802 18728 8621 1 9 . 1 1 92 92 ARG HA H 92 4.231 4.231 4.077 0.154 18728 8622 1 9 . 1 1 92 92 ARG C C 92 176.651 176.651 178.283 -1.632 18728 8623 1 9 . 1 1 92 92 ARG CA C 92 56.671 56.671 59.245 -2.575 18728 8624 1 9 . 1 1 92 92 ARG CB C 92 30.776 30.776 29.867 0.909 18728 8625 1 9 . 1 1 92 92 ARG H H 92 8.425 8.425 8.700 -0.275 18728 8626 1 9 . 1 1 93 93 GLU N N 93 121.483 121.483 118.923 2.560 18728 8627 1 9 . 1 1 93 93 GLU HA H 93 4.181 4.181 4.099 0.082 18728 8628 1 9 . 1 1 93 93 GLU C C 93 176.605 176.605 176.950 -0.345 18728 8629 1 9 . 1 1 93 93 GLU CA C 93 57.185 57.185 58.904 -1.719 18728 8630 1 9 . 1 1 93 93 GLU CB C 93 30.015 30.015 29.208 0.807 18728 8631 1 9 . 1 1 93 93 GLU H H 93 8.503 8.503 8.493 0.010 18728 8632 1 9 . 1 1 94 94 ASP N N 94 121.305 121.305 116.184 5.121 18728 8633 1 9 . 1 1 94 94 ASP HA H 94 4.540 4.540 4.431 0.109 18728 8634 1 9 . 1 1 94 94 ASP C C 94 176.744 176.744 177.488 -0.744 18728 8635 1 9 . 1 1 94 94 ASP CA C 94 54.678 54.678 55.575 -0.897 18728 8636 1 9 . 1 1 94 94 ASP CB C 94 41.183 41.183 40.021 1.162 18728 8637 1 9 . 1 1 94 94 ASP H H 94 8.229 8.229 8.215 0.014 18728 8638 1 9 . 1 1 95 95 SER N N 95 115.787 115.787 114.509 1.278 18728 8639 1 9 . 1 1 95 95 SER HA H 95 4.286 4.286 4.112 0.174 18728 8640 1 9 . 1 1 95 95 SER C C 95 174.602 174.602 175.792 -1.190 18728 8641 1 9 . 1 1 95 95 SER CA C 95 58.957 58.957 59.457 -0.500 18728 8642 1 9 . 1 1 95 95 SER CB C 95 64.524 64.524 63.206 1.317 18728 8643 1 9 . 1 1 95 95 SER H H 95 8.109 8.109 7.768 0.341 18728 8644 1 9 . 1 1 96 96 GLN N N 96 120.796 120.796 119.812 0.984 18728 8645 1 9 . 1 1 96 96 GLN HA H 96 4.297 4.297 4.159 0.138 18728 8646 1 9 . 1 1 96 96 GLN C C 96 175.742 175.742 176.276 -0.534 18728 8647 1 9 . 1 1 96 96 GLN CA C 96 55.721 55.721 56.566 -0.845 18728 8648 1 9 . 1 1 96 96 GLN CB C 96 29.313 29.313 28.863 0.450 18728 8649 1 9 . 1 1 96 96 GLN H H 96 8.161 8.161 7.353 0.808 18728 8650 1 9 . 1 1 97 97 ARG N N 97 122.462 122.462 119.618 2.844 18728 8651 1 9 . 1 1 97 97 ARG HA H 97 4.552 4.552 4.471 0.081 18728 8652 1 9 . 1 1 97 97 ARG CA C 97 54.096 54.096 52.771 1.325 18728 8653 1 9 . 1 1 97 97 ARG CB C 97 30.115 30.115 29.026 1.089 18728 8654 1 9 . 1 1 97 97 ARG H H 97 8.029 8.029 7.497 0.532 18728 8655 1 9 . 1 1 98 98 PRO HA H 98 4.362 4.362 4.323 0.039 18728 8656 1 9 . 1 1 98 98 PRO C C 98 177.715 177.715 176.993 0.722 18728 8657 1 9 . 1 1 98 98 PRO CA C 98 63.592 63.592 63.292 0.300 18728 8658 1 9 . 1 1 98 98 PRO CB C 98 31.955 31.955 31.847 0.108 18728 8659 1 9 . 1 1 99 99 GLY N N 99 109.572 109.572 111.725 -2.153 18728 8660 1 9 . 1 1 99 99 GLY C C 99 174.356 174.356 174.545 -0.189 18728 8661 1 9 . 1 1 99 99 GLY CA C 99 45.395 45.395 45.247 0.148 18728 8662 1 9 . 1 1 99 99 GLY H H 99 8.516 8.516 8.500 0.016 18728 8663 1 9 . 1 1 100 100 ALA N N 100 123.418 123.418 121.995 1.423 18728 8664 1 9 . 1 1 100 100 ALA HA H 100 4.141 4.141 3.837 0.304 18728 8665 1 9 . 1 1 100 100 ALA CA C 100 53.160 53.160 54.212 -1.052 18728 8666 1 9 . 1 1 100 100 ALA CB C 100 19.185 19.185 18.934 0.251 18728 8667 1 9 . 1 1 100 100 ALA H H 100 8.015 8.015 7.639 0.376 18728 8668 1 9 . 1 1 101 101 HIS HA H 101 4.502 4.502 4.525 -0.023 18728 8669 1 9 . 1 1 101 101 HIS C C 101 175.102 175.102 174.256 0.846 18728 8670 1 9 . 1 1 101 101 HIS CA C 101 56.309 56.309 54.874 1.435 18728 8671 1 9 . 1 1 101 101 HIS CB C 101 30.450 30.450 29.512 0.938 18728 8672 1 9 . 1 1 102 102 LEU N N 102 122.495 122.495 119.775 2.720 18728 8673 1 9 . 1 1 102 102 LEU HA H 102 4.263 4.263 4.518 -0.255 18728 8674 1 9 . 1 1 102 102 LEU C C 102 177.020 177.020 176.999 0.021 18728 8675 1 9 . 1 1 102 102 LEU CA C 102 54.934 54.934 54.755 0.179 18728 8676 1 9 . 1 1 102 102 LEU CB C 102 42.414 42.414 42.544 -0.130 18728 8677 1 9 . 1 1 102 102 LEU H H 102 7.774 7.774 7.650 0.124 18728 8678 1 9 . 1 1 103 103 THR N N 103 115.720 115.720 118.977 -3.257 18728 8679 1 9 . 1 1 103 103 THR HA H 103 4.220 4.220 3.958 0.262 18728 8680 1 9 . 1 1 103 103 THR C C 103 174.185 174.185 173.843 0.342 18728 8681 1 9 . 1 1 103 103 THR CA C 103 60.917 60.917 62.963 -2.046 18728 8682 1 9 . 1 1 103 103 THR CB C 103 69.340 69.340 68.251 1.089 18728 8683 1 9 . 1 1 103 103 THR H H 103 8.001 8.001 8.305 -0.304 18728 8684 1 9 . 1 1 104 104 VAL N N 104 122.004 122.004 126.370 -4.366 18728 8685 1 9 . 1 1 104 104 VAL HA H 104 4.330 4.330 4.336 -0.006 18728 8686 1 9 . 1 1 104 104 VAL C C 104 175.294 175.294 175.393 -0.099 18728 8687 1 9 . 1 1 104 104 VAL CA C 104 61.877 61.877 61.048 0.829 18728 8688 1 9 . 1 1 104 104 VAL CB C 104 34.220 34.220 34.048 0.172 18728 8689 1 9 . 1 1 104 104 VAL H H 104 8.191 8.191 8.099 0.092 18728 8690 1 9 . 1 1 105 105 LYS N N 105 121.406 121.406 124.957 -3.551 18728 8691 1 9 . 1 1 105 105 LYS HA H 105 4.498 4.498 4.465 0.033 18728 8692 1 9 . 1 1 105 105 LYS C C 105 173.482 173.482 175.634 -2.152 18728 8693 1 9 . 1 1 105 105 LYS CA C 105 56.433 56.433 56.258 0.175 18728 8694 1 9 . 1 1 105 105 LYS CB C 105 33.245 33.245 33.063 0.182 18728 8695 1 9 . 1 1 105 105 LYS H H 105 8.672 8.672 8.666 0.006 18728 8696 1 9 . 1 1 106 106 LYS N N 106 121.756 121.756 119.357 2.399 18728 8697 1 9 . 1 1 106 106 LYS HA H 106 5.623 5.623 5.525 0.098 18728 8698 1 9 . 1 1 106 106 LYS C C 106 175.153 175.153 175.745 -0.592 18728 8699 1 9 . 1 1 106 106 LYS CA C 106 54.537 54.537 54.804 -0.267 18728 8700 1 9 . 1 1 106 106 LYS CB C 106 37.407 37.407 35.868 1.538 18728 8701 1 9 . 1 1 106 106 LYS H H 106 7.134 7.134 7.714 -0.580 18728 8702 1 9 . 1 1 107 107 ILE N N 107 115.982 115.982 118.929 -2.947 18728 8703 1 9 . 1 1 107 107 ILE HA H 107 5.110 5.110 5.221 -0.111 18728 8704 1 9 . 1 1 107 107 ILE C C 107 174.525 174.525 174.352 0.173 18728 8705 1 9 . 1 1 107 107 ILE CA C 107 59.009 59.009 59.041 -0.032 18728 8706 1 9 . 1 1 107 107 ILE CB C 107 40.552 40.552 41.017 -0.465 18728 8707 1 9 . 1 1 107 107 ILE H H 107 8.948 8.948 8.712 0.236 18728 8708 1 9 . 1 1 108 108 PHE N N 108 124.182 124.182 125.009 -0.827 18728 8709 1 9 . 1 1 108 108 PHE HA H 108 4.696 4.696 4.833 -0.137 18728 8710 1 9 . 1 1 108 108 PHE C C 108 173.422 173.422 173.327 0.095 18728 8711 1 9 . 1 1 108 108 PHE CA C 108 56.567 56.567 56.217 0.350 18728 8712 1 9 . 1 1 108 108 PHE CB C 108 41.596 41.596 41.633 -0.037 18728 8713 1 9 . 1 1 108 108 PHE H H 108 9.103 9.103 9.029 0.074 18728 8714 1 9 . 1 1 109 109 VAL N N 109 126.956 126.956 127.027 -0.071 18728 8715 1 9 . 1 1 109 109 VAL HA H 109 4.497 4.497 4.649 -0.152 18728 8716 1 9 . 1 1 109 109 VAL C C 109 174.097 174.097 173.951 0.146 18728 8717 1 9 . 1 1 109 109 VAL CA C 109 60.493 60.493 60.279 0.214 18728 8718 1 9 . 1 1 109 109 VAL CB C 109 33.266 33.266 33.260 0.006 18728 8719 1 9 . 1 1 109 109 VAL H H 109 8.338 8.338 8.146 0.192 18728 8720 1 9 . 1 1 110 110 GLY N N 110 113.617 113.617 113.201 0.416 18728 8721 1 9 . 1 1 110 110 GLY C C 110 174.325 174.325 173.372 0.953 18728 8722 1 9 . 1 1 110 110 GLY CA C 110 44.011 44.011 43.554 0.457 18728 8723 1 9 . 1 1 110 110 GLY H H 110 9.173 9.173 8.524 0.649 18728 8724 1 9 . 1 1 111 111 GLY N N 111 106.411 106.411 109.707 -3.296 18728 8725 1 9 . 1 1 111 111 GLY CA C 111 46.359 46.359 45.022 1.337 18728 8726 1 9 . 1 1 111 111 GLY H H 111 8.221 8.221 8.369 -0.148 18728 8727 1 9 . 1 1 116 116 THR HA H 116 4.322 4.322 4.621 -0.299 18728 8728 1 9 . 1 1 116 116 THR C C 116 173.380 173.380 173.462 -0.082 18728 8729 1 9 . 1 1 116 116 THR CA C 116 63.000 63.000 61.306 1.694 18728 8730 1 9 . 1 1 117 117 GLU N N 117 130.298 130.298 123.906 6.392 18728 8731 1 9 . 1 1 117 117 GLU HA H 117 4.632 4.632 4.419 0.213 18728 8732 1 9 . 1 1 117 117 GLU C C 117 177.632 177.632 176.414 1.218 18728 8733 1 9 . 1 1 117 117 GLU CA C 117 53.853 53.853 54.077 -0.224 18728 8734 1 9 . 1 1 117 117 GLU CB C 117 32.977 32.977 31.434 1.543 18728 8735 1 9 . 1 1 117 117 GLU H H 117 11.190 11.190 7.903 3.287 18728 8736 1 9 . 1 1 118 118 GLU N N 118 122.126 122.126 123.293 -1.167 18728 8737 1 9 . 1 1 118 118 GLU HA H 118 3.627 3.627 3.882 -0.255 18728 8738 1 9 . 1 1 118 118 GLU C C 118 179.294 179.294 177.458 1.836 18728 8739 1 9 . 1 1 118 118 GLU CA C 118 61.689 61.689 60.794 0.895 18728 8740 1 9 . 1 1 118 118 GLU CB C 118 29.075 29.075 29.634 -0.558 18728 8741 1 9 . 1 1 118 118 GLU H H 118 9.339 9.339 8.814 0.525 18728 8742 1 9 . 1 1 119 119 HIS N N 119 113.514 113.514 118.330 -4.816 18728 8743 1 9 . 1 1 119 119 HIS HA H 119 4.265 4.265 4.294 -0.029 18728 8744 1 9 . 1 1 119 119 HIS C C 119 176.566 176.566 177.884 -1.318 18728 8745 1 9 . 1 1 119 119 HIS CA C 119 58.917 58.917 59.251 -0.334 18728 8746 1 9 . 1 1 119 119 HIS CB C 119 28.187 28.187 29.679 -1.492 18728 8747 1 9 . 1 1 119 119 HIS H H 119 8.240 8.240 8.621 -0.381 18728 8748 1 9 . 1 1 120 120 HIS N N 120 118.629 118.629 117.541 1.088 18728 8749 1 9 . 1 1 120 120 HIS HA H 120 4.332 4.332 4.219 0.113 18728 8750 1 9 . 1 1 120 120 HIS C C 120 179.713 179.713 177.445 2.268 18728 8751 1 9 . 1 1 120 120 HIS CA C 120 60.310 60.310 58.400 1.910 18728 8752 1 9 . 1 1 120 120 HIS CB C 120 32.233 32.233 30.080 2.153 18728 8753 1 9 . 1 1 120 120 HIS H H 120 6.474 6.474 7.477 -1.003 18728 8754 1 9 . 1 1 121 121 LEU N N 121 117.249 117.249 115.627 1.622 18728 8755 1 9 . 1 1 121 121 LEU HA H 121 4.179 4.179 4.282 -0.103 18728 8756 1 9 . 1 1 121 121 LEU C C 121 178.020 178.020 178.285 -0.265 18728 8757 1 9 . 1 1 121 121 LEU CA C 121 57.924 57.924 57.150 0.774 18728 8758 1 9 . 1 1 121 121 LEU CB C 121 42.577 42.577 41.781 0.797 18728 8759 1 9 . 1 1 121 121 LEU H H 121 7.132 7.132 7.520 -0.388 18728 8760 1 9 . 1 1 122 122 ARG N N 122 121.766 121.766 121.592 0.174 18728 8761 1 9 . 1 1 122 122 ARG HA H 122 3.741 3.741 4.020 -0.279 18728 8762 1 9 . 1 1 122 122 ARG C C 122 177.023 177.023 177.750 -0.727 18728 8763 1 9 . 1 1 122 122 ARG CA C 122 60.508 60.508 59.711 0.797 18728 8764 1 9 . 1 1 122 122 ARG CB C 122 30.256 30.256 29.704 0.552 18728 8765 1 9 . 1 1 122 122 ARG H H 122 8.759 8.759 8.725 0.034 18728 8766 1 9 . 1 1 123 123 ASP N N 123 116.299 116.299 117.961 -1.662 18728 8767 1 9 . 1 1 123 123 ASP HA H 123 4.294 4.294 4.345 -0.051 18728 8768 1 9 . 1 1 123 123 ASP C C 123 178.057 178.057 178.070 -0.013 18728 8769 1 9 . 1 1 123 123 ASP CA C 123 57.076 57.076 56.839 0.237 18728 8770 1 9 . 1 1 123 123 ASP CB C 123 40.572 40.572 40.668 -0.096 18728 8771 1 9 . 1 1 123 123 ASP H H 123 8.423 8.423 7.851 0.572 18728 8772 1 9 . 1 1 124 124 TYR N N 124 115.172 115.172 120.443 -5.271 18728 8773 1 9 . 1 1 124 124 TYR HA H 124 4.338 4.338 4.156 0.182 18728 8774 1 9 . 1 1 124 124 TYR C C 124 177.688 177.688 178.054 -0.366 18728 8775 1 9 . 1 1 124 124 TYR CA C 124 61.660 61.660 61.405 0.255 18728 8776 1 9 . 1 1 124 124 TYR CB C 124 39.847 39.847 38.734 1.113 18728 8777 1 9 . 1 1 124 124 TYR H H 124 7.212 7.212 7.396 -0.184 18728 8778 1 9 . 1 1 125 125 PHE N N 125 113.932 113.932 117.398 -3.466 18728 8779 1 9 . 1 1 125 125 PHE HA H 125 4.515 4.515 4.344 0.171 18728 8780 1 9 . 1 1 125 125 PHE C C 125 178.209 178.209 178.398 -0.189 18728 8781 1 9 . 1 1 125 125 PHE CA C 125 63.404 63.404 61.061 2.343 18728 8782 1 9 . 1 1 125 125 PHE CB C 125 38.614 38.614 38.482 0.132 18728 8783 1 9 . 1 1 125 125 PHE H H 125 8.802 8.802 8.736 0.066 18728 8784 1 9 . 1 1 126 126 GLU N N 126 120.515 120.515 119.356 1.159 18728 8785 1 9 . 1 1 126 126 GLU HA H 126 4.884 4.884 4.459 0.425 18728 8786 1 9 . 1 1 126 126 GLU C C 126 177.936 177.936 177.415 0.521 18728 8787 1 9 . 1 1 126 126 GLU CA C 126 58.560 58.560 58.522 0.038 18728 8788 1 9 . 1 1 126 126 GLU CB C 126 28.516 28.516 29.010 -0.494 18728 8789 1 9 . 1 1 126 126 GLU H H 126 8.869 8.869 8.307 0.562 18728 8790 1 9 . 1 1 127 127 GLN N N 127 115.855 115.855 116.079 -0.224 18728 8791 1 9 . 1 1 127 127 GLN HA H 127 4.055 4.055 3.999 0.056 18728 8792 1 9 . 1 1 127 127 GLN C C 127 176.656 176.656 177.469 -0.813 18728 8793 1 9 . 1 1 127 127 GLN CA C 127 57.566 57.566 57.577 -0.011 18728 8794 1 9 . 1 1 127 127 GLN CB C 127 29.047 29.047 28.807 0.240 18728 8795 1 9 . 1 1 127 127 GLN H H 127 7.105 7.105 7.602 -0.497 18728 8796 1 9 . 1 1 128 128 TYR N N 128 116.626 116.626 116.516 0.110 18728 8797 1 9 . 1 1 128 128 TYR HA H 128 4.328 4.328 4.399 -0.071 18728 8798 1 9 . 1 1 128 128 TYR C C 128 175.596 175.596 175.542 0.054 18728 8799 1 9 . 1 1 128 128 TYR CA C 128 59.492 59.492 59.961 -0.469 18728 8800 1 9 . 1 1 128 128 TYR CB C 128 39.539 39.539 39.964 -0.425 18728 8801 1 9 . 1 1 128 128 TYR H H 128 7.950 7.950 7.973 -0.023 18728 8802 1 9 . 1 1 129 129 GLY N N 129 107.386 107.386 102.456 4.930 18728 8803 1 9 . 1 1 129 129 GLY C C 129 170.407 170.407 172.004 -1.597 18728 8804 1 9 . 1 1 129 129 GLY CA C 129 44.819 44.819 45.259 -0.440 18728 8805 1 9 . 1 1 129 129 GLY H H 129 7.492 7.492 7.632 -0.140 18728 8806 1 9 . 1 1 130 130 LYS N N 130 117.786 117.786 122.013 -4.227 18728 8807 1 9 . 1 1 130 130 LYS HA H 130 4.315 4.315 4.830 -0.515 18728 8808 1 9 . 1 1 130 130 LYS C C 130 177.097 177.097 176.057 1.040 18728 8809 1 9 . 1 1 130 130 LYS CA C 130 56.938 56.938 56.341 0.597 18728 8810 1 9 . 1 1 130 130 LYS CB C 130 33.199 33.199 33.279 -0.080 18728 8811 1 9 . 1 1 130 130 LYS H H 130 8.135 8.135 8.632 -0.497 18728 8812 1 9 . 1 1 131 131 ILE N N 131 127.829 127.829 127.526 0.303 18728 8813 1 9 . 1 1 131 131 ILE HA H 131 3.681 3.681 3.822 -0.141 18728 8814 1 9 . 1 1 131 131 ILE C C 131 175.841 175.841 176.162 -0.321 18728 8815 1 9 . 1 1 131 131 ILE CA C 131 61.625 61.625 60.884 0.741 18728 8816 1 9 . 1 1 131 131 ILE CB C 131 40.441 40.441 38.893 1.548 18728 8817 1 9 . 1 1 131 131 ILE H H 131 8.917 8.917 9.267 -0.350 18728 8818 1 9 . 1 1 132 132 GLU N N 132 128.437 128.437 128.132 0.305 18728 8819 1 9 . 1 1 132 132 GLU HA H 132 4.320 4.320 4.317 0.003 18728 8820 1 9 . 1 1 132 132 GLU C C 132 176.192 176.192 175.608 0.584 18728 8821 1 9 . 1 1 132 132 GLU CA C 132 57.816 57.816 57.939 -0.123 18728 8822 1 9 . 1 1 132 132 GLU CB C 132 31.670 31.670 31.302 0.368 18728 8823 1 9 . 1 1 132 132 GLU H H 132 9.136 9.136 8.759 0.377 18728 8824 1 9 . 1 1 133 133 VAL N N 133 115.096 115.096 117.501 -2.405 18728 8825 1 9 . 1 1 133 133 VAL HA H 133 4.316 4.316 4.300 0.016 18728 8826 1 9 . 1 1 133 133 VAL C C 133 172.860 172.860 173.697 -0.837 18728 8827 1 9 . 1 1 133 133 VAL CA C 133 61.258 61.258 61.030 0.228 18728 8828 1 9 . 1 1 133 133 VAL CB C 133 35.526 35.526 35.541 -0.015 18728 8829 1 9 . 1 1 133 133 VAL H H 133 7.272 7.272 7.456 -0.184 18728 8830 1 9 . 1 1 134 134 ILE N N 134 126.870 126.870 125.609 1.261 18728 8831 1 9 . 1 1 134 134 ILE HA H 134 4.464 4.464 4.359 0.105 18728 8832 1 9 . 1 1 134 134 ILE C C 134 174.004 174.004 175.009 -1.005 18728 8833 1 9 . 1 1 134 134 ILE CA C 134 60.904 60.904 60.404 0.500 18728 8834 1 9 . 1 1 134 134 ILE CB C 134 40.408 40.408 39.287 1.121 18728 8835 1 9 . 1 1 134 134 ILE H H 134 8.566 8.566 8.564 0.002 18728 8836 1 9 . 1 1 135 135 GLU N N 135 128.037 128.037 128.841 -0.804 18728 8837 1 9 . 1 1 135 135 GLU HA H 135 4.642 4.642 4.646 -0.004 18728 8838 1 9 . 1 1 135 135 GLU C C 135 174.883 174.883 175.252 -0.369 18728 8839 1 9 . 1 1 135 135 GLU CA C 135 54.640 54.640 55.328 -0.688 18728 8840 1 9 . 1 1 135 135 GLU CB C 135 33.259 33.259 30.532 2.727 18728 8841 1 9 . 1 1 135 135 GLU H H 135 9.019 9.019 8.615 0.404 18728 8842 1 9 . 1 1 136 136 ILE N N 136 126.668 126.668 125.060 1.608 18728 8843 1 9 . 1 1 136 136 ILE HA H 136 3.898 3.898 4.259 -0.361 18728 8844 1 9 . 1 1 136 136 ILE C C 136 176.157 176.157 175.593 0.564 18728 8845 1 9 . 1 1 136 136 ILE CA C 136 61.336 61.336 60.032 1.304 18728 8846 1 9 . 1 1 136 136 ILE CB C 136 37.397 37.397 37.886 -0.490 18728 8847 1 9 . 1 1 136 136 ILE H H 136 8.967 8.967 8.469 0.498 18728 8848 1 9 . 1 1 137 137 MET N N 137 126.115 126.115 127.726 -1.611 18728 8849 1 9 . 1 1 137 137 MET HA H 137 4.679 4.679 4.839 -0.160 18728 8850 1 9 . 1 1 137 137 MET C C 137 176.723 176.723 175.617 1.106 18728 8851 1 9 . 1 1 137 137 MET CA C 137 55.163 55.163 54.376 0.787 18728 8852 1 9 . 1 1 137 137 MET CB C 137 30.841 30.841 34.477 -3.636 18728 8853 1 9 . 1 1 137 137 MET H H 137 7.656 7.656 8.304 -0.648 18728 8854 1 9 . 1 1 138 138 THR N N 138 116.735 116.735 112.774 3.961 18728 8855 1 9 . 1 1 138 138 THR HA H 138 4.746 4.746 4.585 0.162 18728 8856 1 9 . 1 1 138 138 THR C C 138 173.642 173.642 173.591 0.051 18728 8857 1 9 . 1 1 138 138 THR CA C 138 60.385 60.385 60.046 0.339 18728 8858 1 9 . 1 1 138 138 THR CB C 138 72.028 72.028 70.368 1.660 18728 8859 1 9 . 1 1 138 138 THR H H 138 8.551 8.551 8.203 0.348 18728 8860 1 9 . 1 1 139 139 ASP N N 139 123.899 123.899 121.505 2.394 18728 8861 1 9 . 1 1 139 139 ASP HA H 139 4.677 4.677 4.552 0.125 18728 8862 1 9 . 1 1 139 139 ASP CA C 139 53.728 53.728 53.842 -0.114 18728 8863 1 9 . 1 1 139 139 ASP CB C 139 42.270 42.270 42.958 -0.688 18728 8864 1 9 . 1 1 139 139 ASP H H 139 8.818 8.818 8.529 0.289 18728 8865 1 9 . 1 1 140 140 ARG HA H 140 4.037 4.037 4.160 -0.123 18728 8866 1 9 . 1 1 140 140 ARG C C 140 177.886 177.886 177.898 -0.012 18728 8867 1 9 . 1 1 140 140 ARG CB C 140 29.886 29.886 30.325 -0.439 18728 8868 1 9 . 1 1 141 141 GLY N N 141 107.951 107.951 106.871 1.080 18728 8869 1 9 . 1 1 141 141 GLY C C 141 174.861 174.861 175.554 -0.693 18728 8870 1 9 . 1 1 141 141 GLY CA C 141 46.490 46.490 45.786 0.704 18728 8871 1 9 . 1 1 141 141 GLY H H 141 8.635 8.635 8.347 0.288 18728 8872 1 9 . 1 1 142 142 SER N N 142 114.044 114.044 116.745 -2.701 18728 8873 1 9 . 1 1 142 142 SER HA H 142 4.533 4.533 4.531 0.002 18728 8874 1 9 . 1 1 142 142 SER C C 142 176.080 176.080 175.278 0.802 18728 8875 1 9 . 1 1 142 142 SER CA C 142 58.429 58.429 57.856 0.573 18728 8876 1 9 . 1 1 142 142 SER CB C 142 65.439 65.439 64.321 1.118 18728 8877 1 9 . 1 1 142 142 SER H H 142 8.034 8.034 8.650 -0.616 18728 8878 1 9 . 1 1 143 143 GLY N N 143 112.348 112.348 108.655 3.693 18728 8879 1 9 . 1 1 143 143 GLY C C 143 173.949 173.949 173.882 0.067 18728 8880 1 9 . 1 1 143 143 GLY CA C 143 45.703 45.703 45.467 0.236 18728 8881 1 9 . 1 1 143 143 GLY H H 143 8.363 8.363 7.663 0.700 18728 8882 1 9 . 1 1 144 144 LYS N N 144 119.966 119.966 118.808 1.158 18728 8883 1 9 . 1 1 144 144 LYS HA H 144 4.273 4.273 4.417 -0.144 18728 8884 1 9 . 1 1 144 144 LYS C C 144 176.969 176.969 176.267 0.702 18728 8885 1 9 . 1 1 144 144 LYS CA C 144 56.145 56.145 54.325 1.820 18728 8886 1 9 . 1 1 144 144 LYS CB C 144 33.378 33.378 33.235 0.143 18728 8887 1 9 . 1 1 144 144 LYS H H 144 7.786 7.786 7.808 -0.022 18728 8888 1 9 . 1 1 145 145 LYS N N 145 123.668 123.668 121.326 2.342 18728 8889 1 9 . 1 1 145 145 LYS HA H 145 4.187 4.187 4.255 -0.068 18728 8890 1 9 . 1 1 145 145 LYS C C 145 177.498 177.498 175.461 2.037 18728 8891 1 9 . 1 1 145 145 LYS CA C 145 57.392 57.392 56.366 1.026 18728 8892 1 9 . 1 1 145 145 LYS CB C 145 32.577 32.577 31.189 1.388 18728 8893 1 9 . 1 1 145 145 LYS H H 145 8.968 8.968 8.748 0.220 18728 8894 1 9 . 1 1 146 146 ARG N N 146 119.700 119.700 119.721 -0.021 18728 8895 1 9 . 1 1 146 146 ARG HA H 146 4.294 4.294 4.451 -0.157 18728 8896 1 9 . 1 1 146 146 ARG CA C 146 56.365 56.365 54.878 1.487 18728 8897 1 9 . 1 1 146 146 ARG CB C 146 30.786 30.786 33.138 -2.352 18728 8898 1 9 . 1 1 146 146 ARG H H 146 8.095 8.095 7.730 0.365 18728 8899 1 9 . 1 1 147 147 GLY N N 147 110.572 110.572 107.734 2.838 18728 8900 1 9 . 1 1 147 147 GLY C C 147 173.384 173.384 172.829 0.555 18728 8901 1 9 . 1 1 147 147 GLY CA C 147 45.440 45.440 46.273 -0.833 18728 8902 1 9 . 1 1 147 147 GLY H H 147 8.401 8.401 8.852 -0.451 18728 8903 1 9 . 1 1 148 148 PHE N N 148 114.199 114.199 116.206 -2.007 18728 8904 1 9 . 1 1 148 148 PHE HA H 148 5.194 5.194 5.344 -0.150 18728 8905 1 9 . 1 1 148 148 PHE C C 148 172.409 172.409 172.803 -0.394 18728 8906 1 9 . 1 1 148 148 PHE CA C 148 55.282 55.282 55.866 -0.584 18728 8907 1 9 . 1 1 148 148 PHE CB C 148 41.869 41.869 40.795 1.074 18728 8908 1 9 . 1 1 148 148 PHE H H 148 7.255 7.255 7.057 0.198 18728 8909 1 9 . 1 1 149 149 ALA N N 149 121.427 121.427 120.977 0.450 18728 8910 1 9 . 1 1 149 149 ALA HA H 149 4.966 4.966 4.850 0.116 18728 8911 1 9 . 1 1 149 149 ALA C C 149 174.084 174.084 174.275 -0.191 18728 8912 1 9 . 1 1 149 149 ALA CA C 149 49.755 49.755 50.709 -0.954 18728 8913 1 9 . 1 1 149 149 ALA CB C 149 25.094 25.094 22.761 2.333 18728 8914 1 9 . 1 1 149 149 ALA H H 149 8.786 8.786 8.759 0.027 18728 8915 1 9 . 1 1 150 150 PHE N N 150 114.425 114.425 115.810 -1.385 18728 8916 1 9 . 1 1 150 150 PHE HA H 150 5.874 5.874 5.475 0.399 18728 8917 1 9 . 1 1 150 150 PHE C C 150 176.196 176.196 174.678 1.518 18728 8918 1 9 . 1 1 150 150 PHE CA C 150 56.070 56.070 56.853 -0.783 18728 8919 1 9 . 1 1 150 150 PHE CB C 150 43.251 43.251 44.376 -1.125 18728 8920 1 9 . 1 1 150 150 PHE H H 150 8.689 8.689 9.003 -0.314 18728 8921 1 9 . 1 1 151 151 VAL N N 151 122.489 122.489 120.792 1.697 18728 8922 1 9 . 1 1 151 151 VAL HA H 151 4.375 4.375 4.426 -0.051 18728 8923 1 9 . 1 1 151 151 VAL C C 151 173.932 173.932 174.717 -0.785 18728 8924 1 9 . 1 1 151 151 VAL CA C 151 61.454 61.454 61.376 0.078 18728 8925 1 9 . 1 1 151 151 VAL CB C 151 33.869 33.869 35.394 -1.525 18728 8926 1 9 . 1 1 151 151 VAL H H 151 8.559 8.559 8.631 -0.072 18728 8927 1 9 . 1 1 152 152 THR N N 152 123.112 123.112 122.861 0.251 18728 8928 1 9 . 1 1 152 152 THR HA H 152 4.995 4.995 4.892 0.103 18728 8929 1 9 . 1 1 152 152 THR C C 152 174.047 174.047 173.728 0.319 18728 8930 1 9 . 1 1 152 152 THR CA C 152 61.931 61.931 62.632 -0.701 18728 8931 1 9 . 1 1 152 152 THR CB C 152 69.689 69.689 69.775 -0.086 18728 8932 1 9 . 1 1 152 152 THR H H 152 8.723 8.723 8.838 -0.115 18728 8933 1 9 . 1 1 153 153 PHE N N 153 127.746 127.746 126.885 0.861 18728 8934 1 9 . 1 1 153 153 PHE HA H 153 4.840 4.840 4.722 0.118 18728 8935 1 9 . 1 1 153 153 PHE C C 153 174.720 174.720 175.009 -0.289 18728 8936 1 9 . 1 1 153 153 PHE CA C 153 58.098 58.098 58.168 -0.070 18728 8937 1 9 . 1 1 153 153 PHE CB C 153 41.706 41.706 41.760 -0.054 18728 8938 1 9 . 1 1 153 153 PHE H H 153 9.368 9.368 9.290 0.078 18728 8939 1 9 . 1 1 154 154 ASP N N 154 118.371 118.371 119.463 -1.092 18728 8940 1 9 . 1 1 154 154 ASP HA H 154 4.486 4.486 4.710 -0.224 18728 8941 1 9 . 1 1 154 154 ASP C C 154 175.668 175.668 175.508 0.160 18728 8942 1 9 . 1 1 154 154 ASP CA C 154 56.114 56.114 56.229 -0.115 18728 8943 1 9 . 1 1 154 154 ASP CB C 154 42.576 42.576 42.625 -0.049 18728 8944 1 9 . 1 1 154 154 ASP H H 154 8.196 8.196 8.769 -0.573 18728 8945 1 9 . 1 1 155 155 ASP N N 155 117.144 117.144 115.888 1.256 18728 8946 1 9 . 1 1 155 155 ASP HA H 155 4.909 4.909 4.879 0.030 18728 8947 1 9 . 1 1 155 155 ASP C C 155 176.392 176.392 175.974 0.418 18728 8948 1 9 . 1 1 155 155 ASP CA C 155 52.615 52.615 52.544 0.071 18728 8949 1 9 . 1 1 155 155 ASP CB C 155 44.471 44.471 44.178 0.293 18728 8950 1 9 . 1 1 155 155 ASP H H 155 8.323 8.323 7.931 0.392 18728 8951 1 9 . 1 1 156 156 HIS N N 156 121.508 121.508 119.330 2.178 18728 8952 1 9 . 1 1 156 156 HIS HA H 156 4.336 4.336 4.626 -0.290 18728 8953 1 9 . 1 1 156 156 HIS C C 156 176.855 176.855 176.466 0.389 18728 8954 1 9 . 1 1 156 156 HIS CA C 156 58.593 58.593 57.735 0.858 18728 8955 1 9 . 1 1 156 156 HIS CB C 156 29.703 29.703 30.410 -0.707 18728 8956 1 9 . 1 1 156 156 HIS H H 156 8.492 8.492 8.698 -0.206 18728 8957 1 9 . 1 1 157 157 ASP N N 157 122.539 122.539 119.752 2.787 18728 8958 1 9 . 1 1 157 157 ASP HA H 157 4.254 4.254 4.114 0.140 18728 8959 1 9 . 1 1 157 157 ASP C C 157 178.233 178.233 177.659 0.574 18728 8960 1 9 . 1 1 157 157 ASP CA C 157 57.047 57.047 57.483 -0.436 18728 8961 1 9 . 1 1 157 157 ASP CB C 157 40.875 40.875 39.879 0.996 18728 8962 1 9 . 1 1 157 157 ASP H H 157 8.345 8.345 8.123 0.222 18728 8963 1 9 . 1 1 158 158 SER N N 158 113.623 113.623 114.618 -0.995 18728 8964 1 9 . 1 1 158 158 SER HA H 158 3.899 3.899 4.199 -0.300 18728 8965 1 9 . 1 1 158 158 SER C C 158 174.750 174.750 175.746 -0.996 18728 8966 1 9 . 1 1 158 158 SER CA C 158 61.914 61.914 60.734 1.180 18728 8967 1 9 . 1 1 158 158 SER CB C 158 63.088 63.088 62.650 0.438 18728 8968 1 9 . 1 1 158 158 SER H H 158 7.424 7.424 7.644 -0.220 18728 8969 1 9 . 1 1 159 159 VAL N N 159 118.448 118.448 122.706 -4.258 18728 8970 1 9 . 1 1 159 159 VAL HA H 159 2.913 2.913 3.347 -0.434 18728 8971 1 9 . 1 1 159 159 VAL C C 159 177.269 177.269 177.215 0.054 18728 8972 1 9 . 1 1 159 159 VAL CA C 159 66.512 66.512 66.140 0.372 18728 8973 1 9 . 1 1 159 159 VAL CB C 159 31.395 31.395 31.224 0.171 18728 8974 1 9 . 1 1 159 159 VAL H H 159 6.484 6.484 6.851 -0.367 18728 8975 1 9 . 1 1 160 160 ASP N N 160 119.064 119.064 119.091 -0.027 18728 8976 1 9 . 1 1 160 160 ASP HA H 160 4.275 4.275 4.377 -0.102 18728 8977 1 9 . 1 1 160 160 ASP C C 160 178.284 178.284 178.487 -0.203 18728 8978 1 9 . 1 1 160 160 ASP CA C 160 57.798 57.798 57.231 0.567 18728 8979 1 9 . 1 1 160 160 ASP CB C 160 40.288 40.288 40.957 -0.669 18728 8980 1 9 . 1 1 160 160 ASP H H 160 7.663 7.663 8.234 -0.571 18728 8981 1 9 . 1 1 161 161 LYS N N 161 116.568 116.568 118.815 -2.247 18728 8982 1 9 . 1 1 161 161 LYS HA H 161 4.030 4.030 4.131 -0.101 18728 8983 1 9 . 1 1 161 161 LYS C C 161 178.205 178.205 178.174 0.031 18728 8984 1 9 . 1 1 161 161 LYS CA C 161 58.796 58.796 58.957 -0.161 18728 8985 1 9 . 1 1 161 161 LYS CB C 161 33.298 33.298 32.520 0.778 18728 8986 1 9 . 1 1 161 161 LYS H H 161 7.465 7.465 7.380 0.085 18728 8987 1 9 . 1 1 162 162 ILE N N 162 119.457 119.457 117.465 1.992 18728 8988 1 9 . 1 1 162 162 ILE HA H 162 3.241 3.241 3.658 -0.417 18728 8989 1 9 . 1 1 162 162 ILE C C 162 179.129 179.129 177.863 1.266 18728 8990 1 9 . 1 1 162 162 ILE CA C 162 65.201 65.201 64.016 1.185 18728 8991 1 9 . 1 1 162 162 ILE CB C 162 39.170 39.170 38.286 0.884 18728 8992 1 9 . 1 1 162 162 ILE H H 162 7.367 7.367 6.967 0.400 18728 8993 1 9 . 1 1 163 163 VAL N N 163 109.705 109.705 117.228 -7.523 18728 8994 1 9 . 1 1 163 163 VAL HA H 163 4.093 4.093 4.011 0.082 18728 8995 1 9 . 1 1 163 163 VAL C C 163 176.685 176.685 177.015 -0.330 18728 8996 1 9 . 1 1 163 163 VAL CA C 163 64.137 64.137 64.218 -0.081 18728 8997 1 9 . 1 1 163 163 VAL CB C 163 30.720 30.720 30.496 0.224 18728 8998 1 9 . 1 1 163 163 VAL H H 163 7.814 7.814 7.776 0.038 18728 8999 1 9 . 1 1 164 164 ILE N N 164 118.885 118.885 119.818 -0.933 18728 9000 1 9 . 1 1 164 164 ILE HA H 164 3.968 3.968 3.762 0.206 18728 9001 1 9 . 1 1 164 164 ILE C C 164 176.006 176.006 176.162 -0.156 18728 9002 1 9 . 1 1 164 164 ILE CA C 164 63.328 63.328 64.052 -0.724 18728 9003 1 9 . 1 1 164 164 ILE CB C 164 38.136 38.136 37.998 0.138 18728 9004 1 9 . 1 1 164 164 ILE H H 164 6.979 6.979 7.379 -0.400 18728 9005 1 9 . 1 1 165 165 GLN N N 165 120.509 120.509 117.605 2.904 18728 9006 1 9 . 1 1 165 165 GLN HA H 165 4.472 4.472 4.431 0.041 18728 9007 1 9 . 1 1 165 165 GLN C C 165 174.808 174.808 175.218 -0.410 18728 9008 1 9 . 1 1 165 165 GLN CA C 165 54.743 54.743 54.620 0.123 18728 9009 1 9 . 1 1 165 165 GLN CB C 165 30.183 30.183 29.086 1.097 18728 9010 1 9 . 1 1 165 165 GLN H H 165 7.490 7.490 7.821 -0.331 18728 9011 1 9 . 1 1 166 166 LYS N N 166 122.953 122.953 124.153 -1.200 18728 9012 1 9 . 1 1 166 166 LYS HA H 166 3.992 3.992 3.909 0.083 18728 9013 1 9 . 1 1 166 166 LYS C C 166 175.496 175.496 175.729 -0.233 18728 9014 1 9 . 1 1 166 166 LYS CA C 166 59.718 59.718 59.245 0.473 18728 9015 1 9 . 1 1 166 166 LYS CB C 166 33.115 33.115 33.020 0.095 18728 9016 1 9 . 1 1 166 166 LYS H H 166 8.085 8.085 8.752 -0.667 18728 9017 1 9 . 1 1 167 167 TYR N N 167 114.210 114.210 115.181 -0.971 18728 9018 1 9 . 1 1 167 167 TYR HA H 167 5.457 5.457 5.562 -0.105 18728 9019 1 9 . 1 1 167 167 TYR C C 167 175.593 175.593 176.063 -0.470 18728 9020 1 9 . 1 1 167 167 TYR CA C 167 56.417 56.417 56.677 -0.260 18728 9021 1 9 . 1 1 167 167 TYR CB C 167 40.057 40.057 41.364 -1.307 18728 9022 1 9 . 1 1 167 167 TYR H H 167 7.740 7.740 7.813 -0.073 18728 9023 1 9 . 1 1 168 168 HIS N N 168 122.617 122.617 121.879 0.738 18728 9024 1 9 . 1 1 168 168 HIS HA H 168 4.526 4.526 5.076 -0.550 18728 9025 1 9 . 1 1 168 168 HIS C C 168 174.213 174.213 174.418 -0.205 18728 9026 1 9 . 1 1 168 168 HIS CA C 168 55.233 55.233 55.268 -0.035 18728 9027 1 9 . 1 1 168 168 HIS CB C 168 34.906 34.906 34.650 0.256 18728 9028 1 9 . 1 1 168 168 HIS H H 168 9.035 9.035 9.475 -0.440 18728 9029 1 9 . 1 1 169 169 THR N N 169 121.981 121.981 119.379 2.602 18728 9030 1 9 . 1 1 169 169 THR HA H 169 4.722 4.722 5.157 -0.435 18728 9031 1 9 . 1 1 169 169 THR C C 169 172.973 172.973 173.434 -0.461 18728 9032 1 9 . 1 1 169 169 THR CA C 169 61.620 61.620 61.793 -0.173 18728 9033 1 9 . 1 1 169 169 THR CB C 169 68.692 68.692 69.487 -0.795 18728 9034 1 9 . 1 1 169 169 THR H H 169 8.784 8.784 8.851 -0.067 18728 9035 1 9 . 1 1 170 170 VAL N N 170 125.540 125.540 127.659 -2.119 18728 9036 1 9 . 1 1 170 170 VAL HA H 170 3.751 3.751 4.103 -0.352 18728 9037 1 9 . 1 1 170 170 VAL C C 170 175.997 175.997 174.926 1.071 18728 9038 1 9 . 1 1 170 170 VAL CA C 170 60.770 60.770 59.972 0.798 18728 9039 1 9 . 1 1 170 170 VAL CB C 170 34.216 34.216 33.263 0.953 18728 9040 1 9 . 1 1 170 170 VAL H H 170 8.268 8.268 8.494 -0.226 18728 9041 1 9 . 1 1 171 171 ASN N N 171 126.811 126.811 128.127 -1.316 18728 9042 1 9 . 1 1 171 171 ASN HA H 171 4.065 4.065 4.426 -0.361 18728 9043 1 9 . 1 1 171 171 ASN C C 171 174.266 174.266 175.026 -0.760 18728 9044 1 9 . 1 1 171 171 ASN CA C 171 53.184 53.184 53.794 -0.610 18728 9045 1 9 . 1 1 171 171 ASN CB C 171 37.436 37.436 37.428 0.007 18728 9046 1 9 . 1 1 171 171 ASN H H 171 9.437 9.437 9.180 0.257 18728 9047 1 9 . 1 1 172 172 GLY N N 172 100.629 100.629 101.142 -0.513 18728 9048 1 9 . 1 1 172 172 GLY C C 172 173.335 173.335 173.905 -0.570 18728 9049 1 9 . 1 1 172 172 GLY CA C 172 45.154 45.154 45.174 -0.020 18728 9050 1 9 . 1 1 172 172 GLY H H 172 8.194 8.194 8.293 -0.099 18728 9051 1 9 . 1 1 173 173 HIS N N 173 119.555 119.555 122.020 -2.465 18728 9052 1 9 . 1 1 173 173 HIS HA H 173 4.860 4.860 4.581 0.279 18728 9053 1 9 . 1 1 173 173 HIS CA C 173 53.723 53.723 56.026 -2.303 18728 9054 1 9 . 1 1 173 173 HIS CB C 173 31.589 31.589 29.386 2.203 18728 9055 1 9 . 1 1 173 173 HIS H H 173 7.657 7.657 7.889 -0.232 18728 9056 1 9 . 1 1 174 174 ASN N N 174 122.936 122.936 124.066 -1.130 18728 9057 1 9 . 1 1 174 174 ASN HA H 174 4.794 4.794 5.329 -0.535 18728 9058 1 9 . 1 1 174 174 ASN C C 174 174.918 174.918 174.707 0.211 18728 9059 1 9 . 1 1 174 174 ASN CA C 174 53.748 53.748 52.824 0.924 18728 9060 1 9 . 1 1 174 174 ASN CB C 174 38.185 38.185 39.412 -1.227 18728 9061 1 9 . 1 1 174 174 ASN H H 174 8.828 8.828 8.452 0.376 18728 9062 1 9 . 1 1 175 175 CYS N N 175 126.425 126.425 117.834 8.591 18728 9063 1 9 . 1 1 175 175 CYS HA H 175 4.872 4.872 5.206 -0.334 18728 9064 1 9 . 1 1 175 175 CYS C C 175 173.853 173.853 173.386 0.467 18728 9065 1 9 . 1 1 175 175 CYS CA C 175 59.380 59.380 56.432 2.947 18728 9066 1 9 . 1 1 175 175 CYS CB C 175 29.966 29.966 31.364 -1.398 18728 9067 1 9 . 1 1 175 175 CYS H H 175 9.078 9.078 9.186 -0.108 18728 9068 1 9 . 1 1 176 176 GLU N N 176 124.488 124.488 122.304 2.184 18728 9069 1 9 . 1 1 176 176 GLU HA H 176 4.661 4.661 4.969 -0.308 18728 9070 1 9 . 1 1 176 176 GLU C C 176 175.343 175.343 175.183 0.160 18728 9071 1 9 . 1 1 176 176 GLU CA C 176 55.296 55.296 54.947 0.349 18728 9072 1 9 . 1 1 176 176 GLU CB C 176 31.550 31.550 31.279 0.271 18728 9073 1 9 . 1 1 176 176 GLU H H 176 8.161 8.161 9.039 -0.878 18728 9074 1 9 . 1 1 177 177 VAL N N 177 122.521 122.521 126.214 -3.693 18728 9075 1 9 . 1 1 177 177 VAL HA H 177 5.628 5.628 5.494 0.134 18728 9076 1 9 . 1 1 177 177 VAL C C 177 175.720 175.720 174.458 1.262 18728 9077 1 9 . 1 1 177 177 VAL CA C 177 59.713 59.713 60.327 -0.614 18728 9078 1 9 . 1 1 177 177 VAL CB C 177 34.523 34.523 34.563 -0.040 18728 9079 1 9 . 1 1 177 177 VAL H H 177 8.684 8.684 8.705 -0.021 18728 9080 1 9 . 1 1 178 178 ARG N N 178 119.915 119.915 123.399 -3.484 18728 9081 1 9 . 1 1 178 178 ARG HA H 178 4.746 4.746 4.686 0.060 18728 9082 1 9 . 1 1 178 178 ARG C C 178 175.689 175.689 174.405 1.284 18728 9083 1 9 . 1 1 178 178 ARG CA C 178 54.212 54.212 54.417 -0.205 18728 9084 1 9 . 1 1 178 178 ARG CB C 178 34.184 34.184 33.169 1.015 18728 9085 1 9 . 1 1 178 178 ARG H H 178 8.701 8.701 8.467 0.234 18728 9086 1 9 . 1 1 179 179 LYS N N 179 121.001 121.001 121.337 -0.336 18728 9087 1 9 . 1 1 179 179 LYS HA H 179 4.098 4.098 4.329 -0.231 18728 9088 1 9 . 1 1 179 179 LYS C C 179 176.026 176.026 176.227 -0.201 18728 9089 1 9 . 1 1 179 179 LYS CA C 179 59.027 59.027 56.458 2.569 18728 9090 1 9 . 1 1 179 179 LYS CB C 179 33.377 33.377 31.452 1.925 18728 9091 1 9 . 1 1 179 179 LYS H H 179 8.990 8.990 8.542 0.448 18728 9092 1 9 . 1 1 180 180 ALA N N 180 126.810 126.810 128.924 -2.114 18728 9093 1 9 . 1 1 180 180 ALA HA H 180 4.565 4.565 4.721 -0.156 18728 9094 1 9 . 1 1 180 180 ALA C C 180 175.318 175.318 176.149 -0.831 18728 9095 1 9 . 1 1 180 180 ALA CA C 180 51.432 51.432 51.325 0.107 18728 9096 1 9 . 1 1 180 180 ALA CB C 180 19.201 19.201 19.844 -0.643 18728 9097 1 9 . 1 1 180 180 ALA H H 180 8.378 8.378 8.527 -0.149 18728 9098 1 9 . 1 1 181 181 LEU N N 181 122.300 122.300 124.081 -1.781 18728 9099 1 9 . 1 1 181 181 LEU HA H 181 4.401 4.401 4.452 -0.051 18728 9100 1 9 . 1 1 181 181 LEU CA C 181 54.737 54.737 53.789 0.948 18728 9101 1 9 . 1 1 181 181 LEU CB C 181 43.199 43.199 43.135 0.064 18728 9102 1 9 . 1 1 181 181 LEU H H 181 8.001 8.001 8.373 -0.372 18728 9103 1 9 . 1 1 182 182 SER HA H 182 4.406 4.406 4.369 0.037 18728 9104 1 9 . 1 1 182 182 SER CA C 182 58.100 58.100 57.747 0.353 18728 9105 1 9 . 1 1 182 182 SER CB C 182 64.440 64.440 64.846 -0.406 18728 9106 1 9 . 1 1 183 183 LYS HA H 183 4.101 4.101 4.019 0.082 18728 9107 1 9 . 1 1 183 183 LYS C C 183 177.343 177.343 178.133 -0.790 18728 9108 1 9 . 1 1 183 183 LYS CA C 183 57.744 57.744 58.869 -1.125 18728 9109 1 9 . 1 1 183 183 LYS CB C 183 32.586 32.586 32.294 0.292 18728 9110 1 9 . 1 1 184 184 GLN N N 184 120.056 120.056 117.500 2.556 18728 9111 1 9 . 1 1 184 184 GLN HA H 184 4.167 4.167 4.062 0.105 18728 9112 1 9 . 1 1 184 184 GLN C C 184 176.718 176.718 178.360 -1.642 18728 9113 1 9 . 1 1 184 184 GLN CA C 184 56.981 56.981 59.239 -2.258 18728 9114 1 9 . 1 1 184 184 GLN CB C 184 28.990 28.990 28.148 0.842 18728 9115 1 9 . 1 1 184 184 GLN H H 184 8.320 8.320 8.424 -0.104 18728 9116 1 9 . 1 1 185 185 GLU N N 185 121.610 121.610 119.774 1.836 18728 9117 1 9 . 1 1 185 185 GLU HA H 185 4.132 4.132 4.126 0.006 18728 9118 1 9 . 1 1 185 185 GLU C C 185 177.117 177.117 178.756 -1.639 18728 9119 1 9 . 1 1 185 185 GLU CA C 185 57.234 57.234 58.491 -1.257 18728 9120 1 9 . 1 1 185 185 GLU CB C 185 30.235 30.235 29.222 1.013 18728 9121 1 9 . 1 1 185 185 GLU H H 185 8.143 8.143 7.735 0.408 18728 9122 1 9 . 1 1 186 186 MET N N 186 120.092 120.092 117.900 2.192 18728 9123 1 9 . 1 1 186 186 MET HA H 186 4.289 4.289 4.220 0.069 18728 9124 1 9 . 1 1 186 186 MET C C 186 176.438 176.438 177.662 -1.224 18728 9125 1 9 . 1 1 186 186 MET CA C 186 56.069 56.069 58.219 -2.150 18728 9126 1 9 . 1 1 186 186 MET CB C 186 32.847 32.847 32.874 -0.027 18728 9127 1 9 . 1 1 186 186 MET H H 186 8.195 8.195 7.932 0.263 18728 9128 1 9 . 1 1 187 187 ALA N N 187 124.104 124.104 118.245 5.859 18728 9129 1 9 . 1 1 187 187 ALA HA H 187 4.297 4.297 4.392 -0.095 18728 9130 1 9 . 1 1 187 187 ALA C C 187 178.107 178.107 177.171 0.936 18728 9131 1 9 . 1 1 187 187 ALA CA C 187 52.912 52.912 52.227 0.685 18728 9132 1 9 . 1 1 187 187 ALA CB C 187 19.060 19.060 19.396 -0.336 18728 9133 1 9 . 1 1 187 187 ALA H H 187 8.060 8.060 7.796 0.264 18728 9134 1 9 . 1 1 188 188 SER N N 188 114.374 114.374 113.105 1.269 18728 9135 1 9 . 1 1 188 188 SER HA H 188 4.357 4.357 4.089 0.268 18728 9136 1 9 . 1 1 188 188 SER C C 188 174.757 174.757 173.977 0.780 18728 9137 1 9 . 1 1 188 188 SER CA C 188 58.598 58.598 58.864 -0.266 18728 9138 1 9 . 1 1 188 188 SER CB C 188 63.734 63.734 61.379 2.355 18728 9139 1 9 . 1 1 188 188 SER H H 188 8.173 8.173 7.412 0.761 18728 9140 1 9 . 1 1 189 189 ALA N N 189 125.637 125.637 123.265 2.372 18728 9141 1 9 . 1 1 189 189 ALA HA H 189 4.246 4.246 4.370 -0.124 18728 9142 1 9 . 1 1 189 189 ALA CA C 189 53.015 53.015 52.249 0.766 18728 9143 1 9 . 1 1 189 189 ALA CB C 189 19.069 19.069 19.982 -0.912 18728 9144 1 9 . 1 1 189 189 ALA H H 189 8.207 8.207 8.209 -0.002 18728 9145 1 10 . 1 1 5 5 GLU N N 5 122.509 122.509 123.648 -1.139 18728 9146 1 10 . 1 1 5 5 GLU HA H 5 4.345 4.345 4.426 -0.081 18728 9147 1 10 . 1 1 5 5 GLU C C 5 176.240 176.240 175.496 0.744 18728 9148 1 10 . 1 1 5 5 GLU CA C 5 56.190 56.190 56.398 -0.208 18728 9149 1 10 . 1 1 5 5 GLU CB C 5 30.611 30.611 30.955 -0.344 18728 9150 1 10 . 1 1 5 5 GLU H H 5 8.321 8.321 8.766 -0.445 18728 9151 1 10 . 1 1 6 6 SER N N 6 118.728 118.728 120.343 -1.615 18728 9152 1 10 . 1 1 6 6 SER HA H 6 4.342 4.342 4.489 -0.147 18728 9153 1 10 . 1 1 6 6 SER CA C 6 56.305 56.305 56.795 -0.490 18728 9154 1 10 . 1 1 6 6 SER CB C 6 63.241 63.241 63.397 -0.156 18728 9155 1 10 . 1 1 6 6 SER H H 6 8.349 8.349 8.436 -0.087 18728 9156 1 10 . 1 1 7 7 PRO HA H 7 4.427 4.427 4.676 -0.249 18728 9157 1 10 . 1 1 7 7 PRO C C 7 177.027 177.027 176.143 0.884 18728 9158 1 10 . 1 1 7 7 PRO CA C 7 63.271 63.271 62.614 0.657 18728 9159 1 10 . 1 1 7 7 PRO CB C 7 32.111 32.111 32.994 -0.883 18728 9160 1 10 . 1 1 8 8 LYS N N 8 121.819 121.819 118.238 3.581 18728 9161 1 10 . 1 1 8 8 LYS HA H 8 4.290 4.290 4.333 -0.043 18728 9162 1 10 . 1 1 8 8 LYS C C 8 177.015 177.015 175.696 1.319 18728 9163 1 10 . 1 1 8 8 LYS CA C 8 56.455 56.455 56.100 0.355 18728 9164 1 10 . 1 1 8 8 LYS CB C 8 33.341 33.341 32.553 0.788 18728 9165 1 10 . 1 1 8 8 LYS H H 8 8.445 8.445 8.257 0.188 18728 9166 1 10 . 1 1 9 9 GLU N N 9 121.243 121.243 123.334 -2.091 18728 9167 1 10 . 1 1 9 9 GLU HA H 9 4.606 4.606 4.431 0.175 18728 9168 1 10 . 1 1 9 9 GLU CA C 9 54.480 54.480 55.048 -0.568 18728 9169 1 10 . 1 1 9 9 GLU CB C 9 29.572 29.572 28.793 0.779 18728 9170 1 10 . 1 1 9 9 GLU H H 9 8.313 8.313 8.140 0.173 18728 9171 1 10 . 1 1 10 10 PRO HA H 10 4.335 4.335 4.354 -0.019 18728 9172 1 10 . 1 1 10 10 PRO C C 10 177.491 177.491 177.786 -0.295 18728 9173 1 10 . 1 1 10 10 PRO CA C 10 63.587 63.587 62.657 0.930 18728 9174 1 10 . 1 1 10 10 PRO CB C 10 32.374 32.374 32.785 -0.411 18728 9175 1 10 . 1 1 11 11 GLU N N 11 123.071 123.071 121.498 1.573 18728 9176 1 10 . 1 1 11 11 GLU HA H 11 3.686 3.686 3.909 -0.223 18728 9177 1 10 . 1 1 11 11 GLU C C 11 177.984 177.984 178.034 -0.050 18728 9178 1 10 . 1 1 11 11 GLU CA C 11 59.651 59.651 59.917 -0.266 18728 9179 1 10 . 1 1 11 11 GLU CB C 11 29.819 29.819 28.806 1.013 18728 9180 1 10 . 1 1 11 11 GLU H H 11 8.692 8.692 9.021 -0.329 18728 9181 1 10 . 1 1 12 12 GLN N N 12 116.079 116.079 117.305 -1.226 18728 9182 1 10 . 1 1 12 12 GLN HA H 12 3.979 3.979 4.159 -0.180 18728 9183 1 10 . 1 1 12 12 GLN C C 12 177.579 177.579 176.708 0.871 18728 9184 1 10 . 1 1 12 12 GLN CA C 12 58.526 58.526 57.913 0.613 18728 9185 1 10 . 1 1 12 12 GLN CB C 12 28.112 28.112 27.818 0.294 18728 9186 1 10 . 1 1 12 12 GLN H H 12 8.647 8.647 8.226 0.421 18728 9187 1 10 . 1 1 13 13 LEU N N 13 116.530 116.530 117.190 -0.660 18728 9188 1 10 . 1 1 13 13 LEU HA H 13 4.264 4.264 4.441 -0.177 18728 9189 1 10 . 1 1 13 13 LEU C C 13 177.080 177.080 178.063 -0.983 18728 9190 1 10 . 1 1 13 13 LEU CA C 13 55.945 55.945 55.722 0.223 18728 9191 1 10 . 1 1 13 13 LEU CB C 13 42.317 42.317 42.282 0.035 18728 9192 1 10 . 1 1 13 13 LEU H H 13 7.471 7.471 7.753 -0.282 18728 9193 1 10 . 1 1 14 14 ARG N N 14 116.981 116.981 116.826 0.155 18728 9194 1 10 . 1 1 14 14 ARG HA H 14 4.417 4.417 4.537 -0.120 18728 9195 1 10 . 1 1 14 14 ARG C C 14 172.996 172.996 176.129 -3.133 18728 9196 1 10 . 1 1 14 14 ARG CA C 14 56.067 56.067 55.988 0.079 18728 9197 1 10 . 1 1 14 14 ARG CB C 14 29.944 29.944 31.254 -1.310 18728 9198 1 10 . 1 1 14 14 ARG H H 14 7.576 7.576 7.601 -0.025 18728 9199 1 10 . 1 1 15 15 LYS N N 15 119.990 119.990 121.556 -1.566 18728 9200 1 10 . 1 1 15 15 LYS HA H 15 5.198 5.198 5.162 0.036 18728 9201 1 10 . 1 1 15 15 LYS CA C 15 55.301 55.301 55.097 0.204 18728 9202 1 10 . 1 1 15 15 LYS CB C 15 35.888 35.888 35.706 0.182 18728 9203 1 10 . 1 1 15 15 LYS H H 15 6.946 6.946 7.963 -1.017 18728 9204 1 10 . 1 1 16 16 LEU N N 16 126.081 126.081 122.503 3.578 18728 9205 1 10 . 1 1 16 16 LEU HA H 16 5.016 5.016 5.247 -0.231 18728 9206 1 10 . 1 1 16 16 LEU C C 16 176.309 176.309 175.641 0.668 18728 9207 1 10 . 1 1 16 16 LEU CA C 16 53.334 53.334 53.132 0.202 18728 9208 1 10 . 1 1 16 16 LEU CB C 16 45.062 45.062 45.775 -0.713 18728 9209 1 10 . 1 1 16 16 LEU H H 16 9.605 9.605 8.867 0.738 18728 9210 1 10 . 1 1 17 17 PHE N N 17 123.569 123.569 124.732 -1.163 18728 9211 1 10 . 1 1 17 17 PHE HA H 17 4.585 4.585 5.228 -0.643 18728 9212 1 10 . 1 1 17 17 PHE C C 17 174.362 174.362 173.944 0.418 18728 9213 1 10 . 1 1 17 17 PHE CA C 17 57.153 57.153 56.059 1.094 18728 9214 1 10 . 1 1 17 17 PHE CB C 17 40.603 40.603 41.268 -0.665 18728 9215 1 10 . 1 1 17 17 PHE H H 17 9.023 9.023 9.389 -0.366 18728 9216 1 10 . 1 1 18 18 ILE N N 18 126.932 126.932 128.053 -1.121 18728 9217 1 10 . 1 1 18 18 ILE HA H 18 4.029 4.029 4.290 -0.262 18728 9218 1 10 . 1 1 18 18 ILE C C 18 173.832 173.832 174.823 -0.991 18728 9219 1 10 . 1 1 18 18 ILE CA C 18 59.156 59.156 57.935 1.221 18728 9220 1 10 . 1 1 18 18 ILE CB C 18 36.909 36.909 36.828 0.081 18728 9221 1 10 . 1 1 18 18 ILE H H 18 8.486 8.486 8.593 -0.107 18728 9222 1 10 . 1 1 19 19 GLY N N 19 112.953 112.953 112.551 0.402 18728 9223 1 10 . 1 1 19 19 GLY C C 19 174.426 174.426 173.802 0.624 18728 9224 1 10 . 1 1 19 19 GLY CA C 19 43.611 43.611 43.095 0.516 18728 9225 1 10 . 1 1 19 19 GLY H H 19 7.948 7.948 8.773 -0.825 18728 9226 1 10 . 1 1 20 20 GLY N N 20 107.584 107.584 110.978 -3.394 18728 9227 1 10 . 1 1 20 20 GLY C C 20 175.563 175.563 174.382 1.181 18728 9228 1 10 . 1 1 20 20 GLY CA C 20 46.530 46.530 45.106 1.424 18728 9229 1 10 . 1 1 20 20 GLY H H 20 8.542 8.542 8.081 0.461 18728 9230 1 10 . 1 1 21 21 LEU N N 21 115.232 115.232 120.191 -4.959 18728 9231 1 10 . 1 1 21 21 LEU HA H 21 4.025 4.025 4.188 -0.163 18728 9232 1 10 . 1 1 21 21 LEU C C 21 179.121 179.121 176.797 2.324 18728 9233 1 10 . 1 1 21 21 LEU CA C 21 54.192 54.192 54.270 -0.078 18728 9234 1 10 . 1 1 21 21 LEU CB C 21 42.892 42.892 42.688 0.204 18728 9235 1 10 . 1 1 21 21 LEU H H 21 7.472 7.472 7.893 -0.421 18728 9236 1 10 . 1 1 22 22 SER N N 22 114.737 114.737 114.016 0.721 18728 9237 1 10 . 1 1 22 22 SER HA H 22 4.125 4.125 4.453 -0.328 18728 9238 1 10 . 1 1 22 22 SER C C 22 177.842 177.842 175.615 2.227 18728 9239 1 10 . 1 1 22 22 SER CA C 22 57.635 57.635 57.425 0.209 18728 9240 1 10 . 1 1 22 22 SER CB C 22 63.106 63.106 64.998 -1.892 18728 9241 1 10 . 1 1 22 22 SER H H 22 9.136 9.136 8.061 1.075 18728 9242 1 10 . 1 1 23 23 PHE N N 23 128.194 128.194 118.295 9.899 18728 9243 1 10 . 1 1 23 23 PHE HA H 23 4.307 4.307 4.529 -0.222 18728 9244 1 10 . 1 1 23 23 PHE C C 23 175.626 175.626 176.134 -0.508 18728 9245 1 10 . 1 1 23 23 PHE CA C 23 60.205 60.205 59.810 0.395 18728 9246 1 10 . 1 1 23 23 PHE CB C 23 37.570 37.570 38.767 -1.197 18728 9247 1 10 . 1 1 23 23 PHE H H 23 9.034 9.034 8.996 0.038 18728 9248 1 10 . 1 1 24 24 GLU N N 24 116.093 116.093 116.518 -0.425 18728 9249 1 10 . 1 1 24 24 GLU HA H 24 4.255 4.255 4.611 -0.356 18728 9250 1 10 . 1 1 24 24 GLU C C 24 177.429 177.429 175.694 1.735 18728 9251 1 10 . 1 1 24 24 GLU CA C 24 56.522 56.522 55.279 1.243 18728 9252 1 10 . 1 1 24 24 GLU CB C 24 29.980 29.980 31.186 -1.206 18728 9253 1 10 . 1 1 24 24 GLU H H 24 8.295 8.295 7.729 0.566 18728 9254 1 10 . 1 1 25 25 THR N N 25 118.836 118.836 118.985 -0.149 18728 9255 1 10 . 1 1 25 25 THR HA H 25 4.091 4.091 4.260 -0.169 18728 9256 1 10 . 1 1 25 25 THR C C 25 174.238 174.238 174.334 -0.096 18728 9257 1 10 . 1 1 25 25 THR CA C 25 64.862 64.862 63.671 1.191 18728 9258 1 10 . 1 1 25 25 THR CB C 25 68.584 68.584 69.298 -0.714 18728 9259 1 10 . 1 1 25 25 THR H H 25 7.280 7.280 7.432 -0.152 18728 9260 1 10 . 1 1 26 26 THR N N 26 119.434 119.434 115.371 4.063 18728 9261 1 10 . 1 1 26 26 THR HA H 26 4.484 4.484 4.661 -0.177 18728 9262 1 10 . 1 1 26 26 THR C C 26 174.563 174.563 175.037 -0.474 18728 9263 1 10 . 1 1 26 26 THR CA C 26 59.361 59.361 58.852 0.509 18728 9264 1 10 . 1 1 26 26 THR CB C 26 72.727 72.727 71.956 0.771 18728 9265 1 10 . 1 1 26 26 THR H H 26 8.447 8.447 8.221 0.226 18728 9266 1 10 . 1 1 27 27 ASP N N 27 120.342 120.342 122.087 -1.745 18728 9267 1 10 . 1 1 27 27 ASP HA H 27 3.920 3.920 4.308 -0.388 18728 9268 1 10 . 1 1 27 27 ASP C C 27 178.347 178.347 177.521 0.826 18728 9269 1 10 . 1 1 27 27 ASP CA C 27 58.148 58.148 56.998 1.150 18728 9270 1 10 . 1 1 27 27 ASP CB C 27 39.954 39.954 40.619 -0.665 18728 9271 1 10 . 1 1 27 27 ASP H H 27 8.794 8.794 8.851 -0.057 18728 9272 1 10 . 1 1 28 28 GLU N N 28 116.494 116.494 118.960 -2.466 18728 9273 1 10 . 1 1 28 28 GLU HA H 28 3.993 3.993 4.199 -0.206 18728 9274 1 10 . 1 1 28 28 GLU C C 28 178.987 178.987 178.931 0.056 18728 9275 1 10 . 1 1 28 28 GLU CA C 28 60.281 60.281 59.011 1.270 18728 9276 1 10 . 1 1 28 28 GLU CB C 28 29.193 29.193 29.434 -0.241 18728 9277 1 10 . 1 1 28 28 GLU H H 28 8.444 8.444 8.717 -0.273 18728 9278 1 10 . 1 1 29 29 SER N N 29 120.532 120.532 116.841 3.691 18728 9279 1 10 . 1 1 29 29 SER HA H 29 4.333 4.333 4.383 -0.050 18728 9280 1 10 . 1 1 29 29 SER C C 29 178.125 178.125 176.745 1.380 18728 9281 1 10 . 1 1 29 29 SER CA C 29 61.720 61.720 61.076 0.644 18728 9282 1 10 . 1 1 29 29 SER H H 29 8.384 8.384 7.619 0.765 18728 9283 1 10 . 1 1 30 30 LEU N N 30 126.754 126.754 124.134 2.620 18728 9284 1 10 . 1 1 30 30 LEU HA H 30 4.080 4.080 4.189 -0.109 18728 9285 1 10 . 1 1 30 30 LEU C C 30 178.341 178.341 177.705 0.636 18728 9286 1 10 . 1 1 30 30 LEU CA C 30 58.073 58.073 57.709 0.364 18728 9287 1 10 . 1 1 30 30 LEU CB C 30 42.524 42.524 41.789 0.735 18728 9288 1 10 . 1 1 30 30 LEU H H 30 8.487 8.487 8.231 0.256 18728 9289 1 10 . 1 1 31 31 ARG N N 31 121.192 121.192 119.139 2.053 18728 9290 1 10 . 1 1 31 31 ARG HA H 31 3.863 3.863 3.848 0.015 18728 9291 1 10 . 1 1 31 31 ARG C C 31 177.765 177.765 178.350 -0.585 18728 9292 1 10 . 1 1 31 31 ARG CA C 31 59.706 59.706 60.325 -0.619 18728 9293 1 10 . 1 1 31 31 ARG CB C 31 30.648 30.648 30.024 0.624 18728 9294 1 10 . 1 1 31 31 ARG H H 31 7.980 7.980 8.249 -0.269 18728 9295 1 10 . 1 1 32 32 SER N N 32 112.868 112.868 112.883 -0.015 18728 9296 1 10 . 1 1 32 32 SER HA H 32 4.104 4.104 4.198 -0.094 18728 9297 1 10 . 1 1 32 32 SER C C 32 176.416 176.416 176.335 0.081 18728 9298 1 10 . 1 1 32 32 SER CA C 32 61.437 61.437 61.613 -0.176 18728 9299 1 10 . 1 1 32 32 SER CB C 32 62.933 62.933 63.026 -0.094 18728 9300 1 10 . 1 1 32 32 SER H H 32 8.295 8.295 8.171 0.124 18728 9301 1 10 . 1 1 33 33 HIS N N 33 115.910 115.910 120.615 -4.705 18728 9302 1 10 . 1 1 33 33 HIS HA H 33 4.346 4.346 4.393 -0.047 18728 9303 1 10 . 1 1 33 33 HIS C C 33 177.510 177.510 177.704 -0.194 18728 9304 1 10 . 1 1 33 33 HIS CA C 33 60.373 60.373 59.832 0.541 18728 9305 1 10 . 1 1 33 33 HIS CB C 33 30.776 30.776 30.428 0.348 18728 9306 1 10 . 1 1 33 33 HIS H H 33 7.406 7.406 7.598 -0.192 18728 9307 1 10 . 1 1 34 34 PHE N N 34 113.562 113.562 119.167 -5.605 18728 9308 1 10 . 1 1 34 34 PHE HA H 34 4.526 4.526 4.859 -0.333 18728 9309 1 10 . 1 1 34 34 PHE C C 34 179.061 179.061 178.323 0.738 18728 9310 1 10 . 1 1 34 34 PHE CA C 34 64.104 64.104 61.928 2.176 18728 9311 1 10 . 1 1 34 34 PHE CB C 34 38.379 38.379 38.995 -0.616 18728 9312 1 10 . 1 1 34 34 PHE H H 34 8.227 8.227 8.583 -0.356 18728 9313 1 10 . 1 1 35 35 GLU N N 35 124.490 124.490 120.943 3.547 18728 9314 1 10 . 1 1 35 35 GLU HA H 35 4.962 4.962 4.307 0.655 18728 9315 1 10 . 1 1 35 35 GLU C C 35 176.476 176.476 177.810 -1.334 18728 9316 1 10 . 1 1 35 35 GLU CA C 35 57.950 57.950 58.836 -0.886 18728 9317 1 10 . 1 1 35 35 GLU CB C 35 28.690 28.690 29.298 -0.608 18728 9318 1 10 . 1 1 35 35 GLU H H 35 9.219 9.219 8.706 0.513 18728 9319 1 10 . 1 1 36 36 GLN N N 36 116.596 116.596 117.045 -0.449 18728 9320 1 10 . 1 1 36 36 GLN HA H 36 3.706 3.706 3.924 -0.218 18728 9321 1 10 . 1 1 36 36 GLN C C 36 176.486 176.486 177.415 -0.929 18728 9322 1 10 . 1 1 36 36 GLN CA C 36 58.206 58.206 57.679 0.527 18728 9323 1 10 . 1 1 36 36 GLN CB C 36 27.731 27.731 28.135 -0.404 18728 9324 1 10 . 1 1 36 36 GLN H H 36 7.011 7.011 7.542 -0.531 18728 9325 1 10 . 1 1 37 37 TRP N N 37 114.690 114.690 117.014 -2.324 18728 9326 1 10 . 1 1 37 37 TRP HA H 37 4.481 4.481 4.856 -0.375 18728 9327 1 10 . 1 1 37 37 TRP C C 37 173.662 173.662 176.472 -2.810 18728 9328 1 10 . 1 1 37 37 TRP CA C 37 61.557 61.557 58.496 3.061 18728 9329 1 10 . 1 1 37 37 TRP CB C 37 29.074 29.074 31.174 -2.100 18728 9330 1 10 . 1 1 37 37 TRP H H 37 7.017 7.017 7.836 -0.819 18728 9331 1 10 . 1 1 38 38 GLY N N 38 105.060 105.060 104.238 0.822 18728 9332 1 10 . 1 1 38 38 GLY C C 38 171.596 171.596 172.425 -0.829 18728 9333 1 10 . 1 1 38 38 GLY CA C 38 45.545 45.545 45.333 0.212 18728 9334 1 10 . 1 1 38 38 GLY H H 38 7.294 7.294 7.663 -0.369 18728 9335 1 10 . 1 1 39 39 THR N N 39 117.179 117.179 119.218 -2.039 18728 9336 1 10 . 1 1 39 39 THR HA H 39 4.231 4.231 4.225 0.006 18728 9337 1 10 . 1 1 39 39 THR C C 39 173.760 173.760 174.382 -0.622 18728 9338 1 10 . 1 1 39 39 THR CA C 39 62.904 62.904 63.782 -0.878 18728 9339 1 10 . 1 1 39 39 THR CB C 39 69.813 69.813 69.204 0.609 18728 9340 1 10 . 1 1 39 39 THR H H 39 8.770 8.770 8.597 0.173 18728 9341 1 10 . 1 1 40 40 LEU N N 40 126.702 126.702 128.054 -1.352 18728 9342 1 10 . 1 1 40 40 LEU HA H 40 4.943 4.943 4.506 0.437 18728 9343 1 10 . 1 1 40 40 LEU C C 40 178.358 178.358 177.974 0.384 18728 9344 1 10 . 1 1 40 40 LEU CA C 40 52.969 52.969 54.542 -1.573 18728 9345 1 10 . 1 1 40 40 LEU CB C 40 41.893 41.893 42.559 -0.665 18728 9346 1 10 . 1 1 40 40 LEU H H 40 8.831 8.831 8.645 0.186 18728 9347 1 10 . 1 1 41 41 THR N N 41 117.175 117.175 113.966 3.209 18728 9348 1 10 . 1 1 41 41 THR HA H 41 4.197 4.197 4.413 -0.216 18728 9349 1 10 . 1 1 41 41 THR C C 41 175.050 175.050 174.515 0.535 18728 9350 1 10 . 1 1 41 41 THR CA C 41 62.668 62.668 62.154 0.514 18728 9351 1 10 . 1 1 41 41 THR CB C 41 67.618 67.618 70.380 -2.762 18728 9352 1 10 . 1 1 41 41 THR H H 41 8.926 8.926 8.997 -0.071 18728 9353 1 10 . 1 1 42 42 ASP N N 42 118.764 118.764 120.595 -1.831 18728 9354 1 10 . 1 1 42 42 ASP HA H 42 4.620 4.620 4.842 -0.222 18728 9355 1 10 . 1 1 42 42 ASP C C 42 174.637 174.637 173.701 0.936 18728 9356 1 10 . 1 1 42 42 ASP CA C 42 54.235 54.235 54.306 -0.071 18728 9357 1 10 . 1 1 42 42 ASP CB C 42 44.253 44.253 44.297 -0.044 18728 9358 1 10 . 1 1 42 42 ASP H H 42 7.513 7.513 7.824 -0.311 18728 9359 1 10 . 1 1 43 43 CYS N N 43 123.632 123.632 122.579 1.053 18728 9360 1 10 . 1 1 43 43 CYS HA H 43 4.842 4.842 5.331 -0.489 18728 9361 1 10 . 1 1 43 43 CYS C C 43 171.885 171.885 172.512 -0.627 18728 9362 1 10 . 1 1 43 43 CYS CA C 43 59.376 59.376 57.596 1.780 18728 9363 1 10 . 1 1 43 43 CYS CB C 43 26.377 26.377 30.286 -3.909 18728 9364 1 10 . 1 1 43 43 CYS H H 43 8.436 8.436 8.572 -0.136 18728 9365 1 10 . 1 1 44 44 VAL N N 44 126.787 126.787 127.588 -0.801 18728 9366 1 10 . 1 1 44 44 VAL HA H 44 4.576 4.576 4.486 0.090 18728 9367 1 10 . 1 1 44 44 VAL C C 44 173.371 173.371 173.565 -0.194 18728 9368 1 10 . 1 1 44 44 VAL CA C 44 60.151 60.151 60.542 -0.391 18728 9369 1 10 . 1 1 44 44 VAL CB C 44 36.424 36.424 36.192 0.232 18728 9370 1 10 . 1 1 44 44 VAL H H 44 8.737 8.737 9.033 -0.296 18728 9371 1 10 . 1 1 45 45 VAL N N 45 125.522 125.522 128.647 -3.125 18728 9372 1 10 . 1 1 45 45 VAL HA H 45 3.711 3.711 3.938 -0.227 18728 9373 1 10 . 1 1 45 45 VAL C C 45 176.674 176.674 175.270 1.404 18728 9374 1 10 . 1 1 45 45 VAL CA C 45 62.509 62.509 62.615 -0.106 18728 9375 1 10 . 1 1 45 45 VAL CB C 45 33.175 33.175 32.297 0.878 18728 9376 1 10 . 1 1 45 45 VAL H H 45 8.269 8.269 8.488 -0.219 18728 9377 1 10 . 1 1 46 46 MET N N 46 126.833 126.833 127.899 -1.066 18728 9378 1 10 . 1 1 46 46 MET HA H 46 4.441 4.441 4.279 0.162 18728 9379 1 10 . 1 1 46 46 MET C C 46 175.413 175.413 174.975 0.438 18728 9380 1 10 . 1 1 46 46 MET CA C 46 54.852 54.852 54.626 0.226 18728 9381 1 10 . 1 1 46 46 MET CB C 46 30.454 30.454 29.805 0.649 18728 9382 1 10 . 1 1 46 46 MET H H 46 8.445 8.445 8.059 0.386 18728 9383 1 10 . 1 1 47 47 ARG N N 47 120.697 120.697 123.214 -2.517 18728 9384 1 10 . 1 1 47 47 ARG HA H 47 4.838 4.838 4.766 0.072 18728 9385 1 10 . 1 1 47 47 ARG CA C 47 54.308 54.308 54.508 -0.200 18728 9386 1 10 . 1 1 47 47 ARG CB C 47 34.048 34.048 32.437 1.611 18728 9387 1 10 . 1 1 47 47 ARG H H 47 8.308 8.308 7.880 0.428 18728 9388 1 10 . 1 1 48 48 ASP N N 48 125.146 125.146 122.313 2.833 18728 9389 1 10 . 1 1 48 48 ASP HA H 48 4.686 4.686 4.838 -0.152 18728 9390 1 10 . 1 1 48 48 ASP C C 48 176.046 176.046 176.062 -0.016 18728 9391 1 10 . 1 1 48 48 ASP CA C 48 52.106 52.106 51.881 0.225 18728 9392 1 10 . 1 1 48 48 ASP CB C 48 42.878 42.878 41.747 1.131 18728 9393 1 10 . 1 1 48 48 ASP H H 48 8.577 8.577 8.537 0.040 18728 9394 1 10 . 1 1 49 49 PRO HA H 49 4.310 4.310 4.279 0.031 18728 9395 1 10 . 1 1 49 49 PRO C C 49 177.166 177.166 177.872 -0.706 18728 9396 1 10 . 1 1 49 49 PRO CA C 49 64.584 64.584 64.800 -0.216 18728 9397 1 10 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.073 0.063 18728 9398 1 10 . 1 1 50 50 ASN N N 50 115.474 115.474 116.586 -1.112 18728 9399 1 10 . 1 1 50 50 ASN HA H 50 4.723 4.723 4.654 0.069 18728 9400 1 10 . 1 1 50 50 ASN C C 50 176.642 176.642 176.735 -0.093 18728 9401 1 10 . 1 1 50 50 ASN CA C 50 55.444 55.444 55.781 -0.337 18728 9402 1 10 . 1 1 50 50 ASN CB C 50 39.455 39.455 39.548 -0.093 18728 9403 1 10 . 1 1 50 50 ASN H H 50 8.560 8.560 8.243 0.317 18728 9404 1 10 . 1 1 51 51 THR N N 51 108.788 108.788 113.223 -4.435 18728 9405 1 10 . 1 1 51 51 THR HA H 51 4.264 4.264 4.468 -0.204 18728 9406 1 10 . 1 1 51 51 THR C C 51 176.018 176.018 174.006 2.012 18728 9407 1 10 . 1 1 51 51 THR CA C 51 62.063 62.063 62.231 -0.168 18728 9408 1 10 . 1 1 51 51 THR CB C 51 70.768 70.768 70.117 0.651 18728 9409 1 10 . 1 1 51 51 THR H H 51 8.277 8.277 8.532 -0.255 18728 9410 1 10 . 1 1 52 52 LYS N N 52 114.615 114.615 117.062 -2.447 18728 9411 1 10 . 1 1 52 52 LYS HA H 52 3.917 3.917 4.088 -0.171 18728 9412 1 10 . 1 1 52 52 LYS C C 52 175.376 175.376 175.298 0.078 18728 9413 1 10 . 1 1 52 52 LYS CA C 52 57.902 57.902 56.930 0.972 18728 9414 1 10 . 1 1 52 52 LYS CB C 52 29.293 29.293 30.102 -0.809 18728 9415 1 10 . 1 1 52 52 LYS H H 52 8.091 8.091 8.043 0.048 18728 9416 1 10 . 1 1 53 53 ARG N N 53 120.395 120.395 116.529 3.866 18728 9417 1 10 . 1 1 53 53 ARG HA H 53 4.169 4.169 4.615 -0.446 18728 9418 1 10 . 1 1 53 53 ARG C C 53 176.619 176.619 175.957 0.662 18728 9419 1 10 . 1 1 53 53 ARG CA C 53 56.233 56.233 53.274 2.959 18728 9420 1 10 . 1 1 53 53 ARG CB C 53 31.045 31.045 32.002 -0.957 18728 9421 1 10 . 1 1 53 53 ARG H H 53 7.847 7.847 7.567 0.280 18728 9422 1 10 . 1 1 54 54 SER N N 54 116.987 116.987 115.825 1.162 18728 9423 1 10 . 1 1 54 54 SER HA H 54 4.186 4.186 4.343 -0.157 18728 9424 1 10 . 1 1 54 54 SER C C 54 175.755 175.755 175.430 0.325 18728 9425 1 10 . 1 1 54 54 SER CA C 54 58.559 58.559 58.381 0.178 18728 9426 1 10 . 1 1 54 54 SER CB C 54 63.922 63.922 63.712 0.210 18728 9427 1 10 . 1 1 54 54 SER H H 54 8.810 8.810 8.193 0.617 18728 9428 1 10 . 1 1 55 55 ARG N N 55 123.427 123.427 127.541 -4.114 18728 9429 1 10 . 1 1 55 55 ARG HA H 55 4.403 4.403 4.305 0.098 18728 9430 1 10 . 1 1 55 55 ARG C C 55 177.962 177.962 176.732 1.230 18728 9431 1 10 . 1 1 55 55 ARG CA C 55 56.096 56.096 55.855 0.241 18728 9432 1 10 . 1 1 55 55 ARG CB C 55 31.294 31.294 30.111 1.183 18728 9433 1 10 . 1 1 55 55 ARG H H 55 8.976 8.976 8.491 0.485 18728 9434 1 10 . 1 1 56 56 GLY N N 56 107.308 107.308 106.699 0.609 18728 9435 1 10 . 1 1 56 56 GLY C C 56 171.856 171.856 173.281 -1.425 18728 9436 1 10 . 1 1 56 56 GLY CA C 56 45.669 45.669 45.101 0.568 18728 9437 1 10 . 1 1 56 56 GLY H H 56 9.375 9.375 7.982 1.393 18728 9438 1 10 . 1 1 57 57 PHE N N 57 112.537 112.537 114.520 -1.983 18728 9439 1 10 . 1 1 57 57 PHE HA H 57 5.201 5.201 5.377 -0.176 18728 9440 1 10 . 1 1 57 57 PHE C C 57 172.646 172.646 172.937 -0.291 18728 9441 1 10 . 1 1 57 57 PHE CA C 57 54.918 54.918 55.046 -0.128 18728 9442 1 10 . 1 1 57 57 PHE CB C 57 41.743 41.743 40.871 0.872 18728 9443 1 10 . 1 1 57 57 PHE H H 57 7.044 7.044 7.017 0.027 18728 9444 1 10 . 1 1 58 58 GLY N N 58 106.816 106.816 106.352 0.464 18728 9445 1 10 . 1 1 58 58 GLY C C 58 169.931 169.931 171.158 -1.227 18728 9446 1 10 . 1 1 58 58 GLY CA C 58 45.304 45.304 44.654 0.650 18728 9447 1 10 . 1 1 58 58 GLY H H 58 8.345 8.345 8.186 0.159 18728 9448 1 10 . 1 1 59 59 PHE N N 59 115.179 115.179 115.698 -0.519 18728 9449 1 10 . 1 1 59 59 PHE HA H 59 5.645 5.645 5.561 0.084 18728 9450 1 10 . 1 1 59 59 PHE C C 59 174.929 174.929 174.421 0.508 18728 9451 1 10 . 1 1 59 59 PHE CA C 59 56.541 56.541 56.348 0.193 18728 9452 1 10 . 1 1 59 59 PHE CB C 59 43.984 43.984 43.915 0.069 18728 9453 1 10 . 1 1 59 59 PHE H H 59 8.903 8.903 8.732 0.171 18728 9454 1 10 . 1 1 60 60 VAL N N 60 115.310 115.310 115.968 -0.658 18728 9455 1 10 . 1 1 60 60 VAL HA H 60 4.540 4.540 4.780 -0.240 18728 9456 1 10 . 1 1 60 60 VAL C C 60 173.246 173.246 175.303 -2.057 18728 9457 1 10 . 1 1 60 60 VAL CA C 60 59.421 59.421 60.049 -0.628 18728 9458 1 10 . 1 1 60 60 VAL CB C 60 34.678 34.678 34.008 0.670 18728 9459 1 10 . 1 1 60 60 VAL H H 60 8.569 8.569 8.902 -0.333 18728 9460 1 10 . 1 1 61 61 THR N N 61 120.158 120.158 122.461 -2.303 18728 9461 1 10 . 1 1 61 61 THR HA H 61 5.068 5.068 4.837 0.231 18728 9462 1 10 . 1 1 61 61 THR C C 61 173.985 173.985 174.043 -0.058 18728 9463 1 10 . 1 1 61 61 THR CA C 61 61.033 61.033 61.722 -0.689 18728 9464 1 10 . 1 1 61 61 THR CB C 61 70.114 70.114 69.588 0.526 18728 9465 1 10 . 1 1 61 61 THR H H 61 8.180 8.180 8.943 -0.763 18728 9466 1 10 . 1 1 62 62 TYR N N 62 125.280 125.280 126.698 -1.418 18728 9467 1 10 . 1 1 62 62 TYR HA H 62 5.357 5.357 4.702 0.655 18728 9468 1 10 . 1 1 62 62 TYR C C 62 176.696 176.696 177.281 -0.585 18728 9469 1 10 . 1 1 62 62 TYR CA C 62 58.297 58.297 58.775 -0.478 18728 9470 1 10 . 1 1 62 62 TYR CB C 62 42.217 42.217 40.037 2.180 18728 9471 1 10 . 1 1 62 62 TYR H H 62 8.407 8.407 9.041 -0.634 18728 9472 1 10 . 1 1 63 63 ALA N N 63 121.648 121.648 123.959 -2.311 18728 9473 1 10 . 1 1 63 63 ALA HA H 63 4.052 4.052 4.276 -0.224 18728 9474 1 10 . 1 1 63 63 ALA C C 63 178.252 178.252 177.228 1.024 18728 9475 1 10 . 1 1 63 63 ALA CA C 63 55.269 55.269 54.126 1.143 18728 9476 1 10 . 1 1 63 63 ALA CB C 63 19.068 19.068 19.496 -0.428 18728 9477 1 10 . 1 1 63 63 ALA H H 63 8.749 8.749 8.782 -0.033 18728 9478 1 10 . 1 1 64 64 THR N N 64 105.238 105.238 112.022 -6.784 18728 9479 1 10 . 1 1 64 64 THR HA H 64 4.902 4.902 4.656 0.246 18728 9480 1 10 . 1 1 64 64 THR C C 64 174.667 174.667 174.577 0.090 18728 9481 1 10 . 1 1 64 64 THR CA C 64 59.184 59.184 60.781 -1.597 18728 9482 1 10 . 1 1 64 64 THR CB C 64 73.193 73.193 72.309 0.884 18728 9483 1 10 . 1 1 64 64 THR H H 64 7.992 7.992 7.764 0.228 18728 9484 1 10 . 1 1 65 65 VAL N N 65 120.939 120.939 124.951 -4.012 18728 9485 1 10 . 1 1 65 65 VAL HA H 65 3.670 3.670 3.729 -0.059 18728 9486 1 10 . 1 1 65 65 VAL C C 65 177.446 177.446 176.880 0.566 18728 9487 1 10 . 1 1 65 65 VAL CA C 65 65.535 65.535 65.338 0.198 18728 9488 1 10 . 1 1 65 65 VAL CB C 65 31.538 31.538 32.301 -0.763 18728 9489 1 10 . 1 1 65 65 VAL H H 65 8.968 8.968 8.825 0.143 18728 9490 1 10 . 1 1 66 66 GLU N N 66 120.818 120.818 117.909 2.909 18728 9491 1 10 . 1 1 66 66 GLU HA H 66 4.045 4.045 4.132 -0.087 18728 9492 1 10 . 1 1 66 66 GLU C C 66 180.056 180.056 178.526 1.530 18728 9493 1 10 . 1 1 66 66 GLU CA C 66 60.430 60.430 59.702 0.728 18728 9494 1 10 . 1 1 66 66 GLU CB C 66 28.909 28.909 28.733 0.176 18728 9495 1 10 . 1 1 66 66 GLU H H 66 8.686 8.686 8.749 -0.063 18728 9496 1 10 . 1 1 67 67 GLU N N 67 120.729 120.729 117.106 3.623 18728 9497 1 10 . 1 1 67 67 GLU HA H 67 3.853 3.853 4.073 -0.220 18728 9498 1 10 . 1 1 67 67 GLU C C 67 177.040 177.040 178.322 -1.282 18728 9499 1 10 . 1 1 67 67 GLU CA C 67 59.391 59.391 58.866 0.525 18728 9500 1 10 . 1 1 67 67 GLU CB C 67 29.590 29.590 28.907 0.683 18728 9501 1 10 . 1 1 67 67 GLU H H 67 7.487 7.487 7.544 -0.057 18728 9502 1 10 . 1 1 68 68 VAL N N 68 118.408 118.408 119.877 -1.469 18728 9503 1 10 . 1 1 68 68 VAL HA H 68 3.165 3.165 3.133 0.032 18728 9504 1 10 . 1 1 68 68 VAL C C 68 178.293 178.293 177.649 0.644 18728 9505 1 10 . 1 1 68 68 VAL CA C 68 66.391 66.391 65.944 0.447 18728 9506 1 10 . 1 1 68 68 VAL CB C 68 31.092 31.092 31.134 -0.042 18728 9507 1 10 . 1 1 68 68 VAL H H 68 6.882 6.882 7.025 -0.143 18728 9508 1 10 . 1 1 69 69 ASP N N 69 119.356 119.356 120.161 -0.805 18728 9509 1 10 . 1 1 69 69 ASP HA H 69 4.128 4.128 4.208 -0.080 18728 9510 1 10 . 1 1 69 69 ASP C C 69 178.765 178.765 178.563 0.202 18728 9511 1 10 . 1 1 69 69 ASP CA C 69 57.394 57.394 57.946 -0.552 18728 9512 1 10 . 1 1 69 69 ASP CB C 69 39.879 39.879 40.383 -0.504 18728 9513 1 10 . 1 1 69 69 ASP H H 69 8.109 8.109 7.621 0.488 18728 9514 1 10 . 1 1 70 70 ALA N N 70 123.031 123.031 121.507 1.524 18728 9515 1 10 . 1 1 70 70 ALA HA H 70 4.070 4.070 4.036 0.034 18728 9516 1 10 . 1 1 70 70 ALA C C 70 180.518 180.518 179.267 1.251 18728 9517 1 10 . 1 1 70 70 ALA CA C 70 55.209 55.209 55.072 0.137 18728 9518 1 10 . 1 1 70 70 ALA CB C 70 18.104 18.104 18.386 -0.281 18728 9519 1 10 . 1 1 70 70 ALA H H 70 7.736 7.736 7.646 0.090 18728 9520 1 10 . 1 1 71 71 ALA N N 71 121.446 121.446 119.335 2.111 18728 9521 1 10 . 1 1 71 71 ALA HA H 71 3.034 3.034 3.752 -0.718 18728 9522 1 10 . 1 1 71 71 ALA C C 71 182.248 182.248 179.724 2.524 18728 9523 1 10 . 1 1 71 71 ALA CA C 71 55.251 55.251 54.622 0.629 18728 9524 1 10 . 1 1 71 71 ALA CB C 71 17.976 17.976 18.322 -0.346 18728 9525 1 10 . 1 1 71 71 ALA H H 71 8.101 8.101 7.126 0.975 18728 9526 1 10 . 1 1 72 72 MET N N 72 118.027 118.027 117.116 0.911 18728 9527 1 10 . 1 1 72 72 MET HA H 72 4.430 4.430 4.204 0.226 18728 9528 1 10 . 1 1 72 72 MET C C 72 179.409 179.409 178.384 1.025 18728 9529 1 10 . 1 1 72 72 MET CA C 72 56.379 56.379 58.311 -1.932 18728 9530 1 10 . 1 1 72 72 MET CB C 72 30.498 30.498 32.014 -1.516 18728 9531 1 10 . 1 1 72 72 MET H H 72 8.681 8.681 8.344 0.337 18728 9532 1 10 . 1 1 73 73 ASN N N 73 119.415 119.415 117.997 1.418 18728 9533 1 10 . 1 1 73 73 ASN HA H 73 4.627 4.627 4.599 0.028 18728 9534 1 10 . 1 1 73 73 ASN C C 73 175.014 175.014 175.579 -0.565 18728 9535 1 10 . 1 1 73 73 ASN CA C 73 54.323 54.323 55.140 -0.817 18728 9536 1 10 . 1 1 73 73 ASN CB C 73 38.468 38.468 37.746 0.722 18728 9537 1 10 . 1 1 73 73 ASN H H 73 8.096 8.096 8.348 -0.252 18728 9538 1 10 . 1 1 74 74 ALA N N 74 122.253 122.253 120.814 1.439 18728 9539 1 10 . 1 1 74 74 ALA HA H 74 4.299 4.299 4.246 0.053 18728 9540 1 10 . 1 1 74 74 ALA C C 74 175.305 175.305 177.488 -2.183 18728 9541 1 10 . 1 1 74 74 ALA CA C 74 51.273 51.273 51.179 0.094 18728 9542 1 10 . 1 1 74 74 ALA CB C 74 18.922 18.922 18.451 0.471 18728 9543 1 10 . 1 1 74 74 ALA H H 74 6.966 6.966 7.021 -0.055 18728 9544 1 10 . 1 1 75 75 ARG N N 75 116.833 116.833 120.375 -3.542 18728 9545 1 10 . 1 1 75 75 ARG HA H 75 3.608 3.608 4.154 -0.546 18728 9546 1 10 . 1 1 75 75 ARG CA C 75 55.086 55.086 55.767 -0.681 18728 9547 1 10 . 1 1 75 75 ARG CB C 75 30.199 30.199 29.873 0.326 18728 9548 1 10 . 1 1 75 75 ARG H H 75 6.749 6.749 7.250 -0.501 18728 9549 1 10 . 1 1 76 76 PRO HA H 76 4.434 4.434 4.580 -0.146 18728 9550 1 10 . 1 1 76 76 PRO C C 76 175.590 175.590 175.955 -0.365 18728 9551 1 10 . 1 1 76 76 PRO CA C 76 61.614 61.614 62.720 -1.106 18728 9552 1 10 . 1 1 76 76 PRO CB C 76 34.982 34.982 32.838 2.144 18728 9553 1 10 . 1 1 77 77 HIS N N 77 122.039 122.039 118.977 3.062 18728 9554 1 10 . 1 1 77 77 HIS HA H 77 4.559 4.559 4.855 -0.296 18728 9555 1 10 . 1 1 77 77 HIS C C 77 173.137 173.137 174.413 -1.276 18728 9556 1 10 . 1 1 77 77 HIS CA C 77 56.231 56.231 55.679 0.551 18728 9557 1 10 . 1 1 77 77 HIS CB C 77 32.909 32.909 33.483 -0.574 18728 9558 1 10 . 1 1 77 77 HIS H H 77 9.384 9.384 8.303 1.081 18728 9559 1 10 . 1 1 78 78 LYS N N 78 125.607 125.607 124.293 1.314 18728 9560 1 10 . 1 1 78 78 LYS HA H 78 4.939 4.939 5.234 -0.295 18728 9561 1 10 . 1 1 78 78 LYS C C 78 174.858 174.858 174.069 0.789 18728 9562 1 10 . 1 1 78 78 LYS CA C 78 54.755 54.755 55.397 -0.642 18728 9563 1 10 . 1 1 78 78 LYS CB C 78 33.475 33.475 34.459 -0.984 18728 9564 1 10 . 1 1 78 78 LYS H H 78 8.485 8.485 8.768 -0.283 18728 9565 1 10 . 1 1 79 79 VAL N N 79 124.596 124.596 124.657 -0.061 18728 9566 1 10 . 1 1 79 79 VAL HA H 79 3.955 3.955 3.958 -0.003 18728 9567 1 10 . 1 1 79 79 VAL C C 79 176.295 176.295 175.252 1.043 18728 9568 1 10 . 1 1 79 79 VAL CA C 79 60.737 60.737 59.992 0.745 18728 9569 1 10 . 1 1 79 79 VAL CB C 79 33.249 33.249 33.934 -0.685 18728 9570 1 10 . 1 1 79 79 VAL H H 79 8.581 8.581 7.862 0.719 18728 9571 1 10 . 1 1 80 80 ASP N N 80 128.668 128.668 126.289 2.379 18728 9572 1 10 . 1 1 80 80 ASP HA H 80 4.228 4.228 4.301 -0.073 18728 9573 1 10 . 1 1 80 80 ASP C C 80 175.744 175.744 175.785 -0.041 18728 9574 1 10 . 1 1 80 80 ASP CA C 80 55.882 55.882 55.031 0.851 18728 9575 1 10 . 1 1 80 80 ASP CB C 80 39.692 39.692 40.577 -0.885 18728 9576 1 10 . 1 1 80 80 ASP H H 80 9.553 9.553 9.049 0.504 18728 9577 1 10 . 1 1 81 81 GLY N N 81 101.527 101.527 103.533 -2.006 18728 9578 1 10 . 1 1 81 81 GLY C C 81 173.560 173.560 173.807 -0.247 18728 9579 1 10 . 1 1 81 81 GLY CA C 81 45.445 45.445 45.492 -0.047 18728 9580 1 10 . 1 1 81 81 GLY H H 81 8.488 8.488 8.499 -0.011 18728 9581 1 10 . 1 1 82 82 ARG N N 82 120.493 120.493 119.761 0.732 18728 9582 1 10 . 1 1 82 82 ARG HA H 82 4.640 4.640 4.643 -0.003 18728 9583 1 10 . 1 1 82 82 ARG C C 82 174.512 174.512 174.630 -0.118 18728 9584 1 10 . 1 1 82 82 ARG CA C 82 53.161 53.161 54.363 -1.202 18728 9585 1 10 . 1 1 82 82 ARG CB C 82 32.507 32.507 33.270 -0.763 18728 9586 1 10 . 1 1 82 82 ARG H H 82 7.555 7.555 7.495 0.060 18728 9587 1 10 . 1 1 83 83 VAL N N 83 124.855 124.855 126.960 -2.105 18728 9588 1 10 . 1 1 83 83 VAL HA H 83 4.501 4.501 4.580 -0.079 18728 9589 1 10 . 1 1 83 83 VAL C C 83 176.701 176.701 174.889 1.812 18728 9590 1 10 . 1 1 83 83 VAL CA C 83 63.290 63.290 61.449 1.841 18728 9591 1 10 . 1 1 83 83 VAL CB C 83 30.867 30.867 32.274 -1.407 18728 9592 1 10 . 1 1 83 83 VAL H H 83 8.633 8.633 8.625 0.008 18728 9593 1 10 . 1 1 84 84 VAL N N 84 122.944 122.944 125.420 -2.476 18728 9594 1 10 . 1 1 84 84 VAL HA H 84 4.667 4.667 4.898 -0.231 18728 9595 1 10 . 1 1 84 84 VAL C C 84 174.969 174.969 174.395 0.574 18728 9596 1 10 . 1 1 84 84 VAL CA C 84 59.499 59.499 59.291 0.208 18728 9597 1 10 . 1 1 84 84 VAL CB C 84 32.761 32.761 34.533 -1.772 18728 9598 1 10 . 1 1 84 84 VAL H H 84 8.391 8.391 8.795 -0.404 18728 9599 1 10 . 1 1 85 85 GLU N N 85 120.907 120.907 122.698 -1.791 18728 9600 1 10 . 1 1 85 85 GLU HA H 85 5.087 5.087 4.967 0.120 18728 9601 1 10 . 1 1 85 85 GLU CA C 85 52.949 52.949 52.440 0.509 18728 9602 1 10 . 1 1 85 85 GLU CB C 85 31.367 31.367 30.702 0.665 18728 9603 1 10 . 1 1 85 85 GLU H H 85 8.681 8.681 9.096 -0.415 18728 9604 1 10 . 1 1 86 86 PRO HA H 86 5.383 5.383 5.140 0.243 18728 9605 1 10 . 1 1 86 86 PRO C C 86 175.908 175.908 176.164 -0.256 18728 9606 1 10 . 1 1 86 86 PRO CA C 86 61.444 61.444 62.254 -0.810 18728 9607 1 10 . 1 1 86 86 PRO CB C 86 32.657 32.657 32.586 0.071 18728 9608 1 10 . 1 1 87 87 LYS N N 87 121.252 121.252 121.081 0.171 18728 9609 1 10 . 1 1 87 87 LYS HA H 87 4.688 4.688 5.065 -0.377 18728 9610 1 10 . 1 1 87 87 LYS C C 87 175.676 175.676 176.061 -0.385 18728 9611 1 10 . 1 1 87 87 LYS CA C 87 55.101 55.101 53.831 1.270 18728 9612 1 10 . 1 1 87 87 LYS CB C 87 36.608 36.608 37.173 -0.565 18728 9613 1 10 . 1 1 87 87 LYS H H 87 9.397 9.397 8.830 0.567 18728 9614 1 10 . 1 1 88 88 ARG N N 88 123.272 123.272 121.269 2.003 18728 9615 1 10 . 1 1 88 88 ARG HA H 88 4.375 4.375 4.378 -0.003 18728 9616 1 10 . 1 1 88 88 ARG C C 88 177.011 177.011 176.696 0.315 18728 9617 1 10 . 1 1 88 88 ARG CA C 88 57.209 57.209 56.063 1.146 18728 9618 1 10 . 1 1 88 88 ARG CB C 88 30.452 30.452 30.615 -0.163 18728 9619 1 10 . 1 1 88 88 ARG H H 88 8.940 8.940 8.958 -0.018 18728 9620 1 10 . 1 1 89 89 ALA N N 89 126.260 126.260 130.370 -4.110 18728 9621 1 10 . 1 1 89 89 ALA HA H 89 4.259 4.259 4.485 -0.226 18728 9622 1 10 . 1 1 89 89 ALA C C 89 177.452 177.452 177.016 0.436 18728 9623 1 10 . 1 1 89 89 ALA CA C 89 53.712 53.712 52.049 1.663 18728 9624 1 10 . 1 1 89 89 ALA CB C 89 18.824 18.824 18.378 0.445 18728 9625 1 10 . 1 1 89 89 ALA H H 89 8.424 8.424 8.091 0.333 18728 9626 1 10 . 1 1 90 90 VAL N N 90 115.835 115.835 123.288 -7.453 18728 9627 1 10 . 1 1 90 90 VAL HA H 90 4.182 4.182 3.903 0.279 18728 9628 1 10 . 1 1 90 90 VAL C C 90 175.397 175.397 176.475 -1.078 18728 9629 1 10 . 1 1 90 90 VAL CA C 90 61.516 61.516 63.085 -1.569 18728 9630 1 10 . 1 1 90 90 VAL CB C 90 33.448 33.448 32.000 1.448 18728 9631 1 10 . 1 1 90 90 VAL H H 90 7.892 7.892 7.688 0.204 18728 9632 1 10 . 1 1 91 91 SER N N 91 119.224 119.224 119.730 -0.506 18728 9633 1 10 . 1 1 91 91 SER HA H 91 4.420 4.420 4.232 0.188 18728 9634 1 10 . 1 1 91 91 SER CA C 91 57.888 57.888 59.045 -1.157 18728 9635 1 10 . 1 1 91 91 SER CB C 91 63.788 63.788 64.213 -0.425 18728 9636 1 10 . 1 1 91 91 SER H H 91 8.327 8.327 8.612 -0.285 18728 9637 1 10 . 1 1 92 92 ARG HA H 92 4.231 4.231 3.944 0.287 18728 9638 1 10 . 1 1 92 92 ARG C C 92 176.651 176.651 177.618 -0.967 18728 9639 1 10 . 1 1 92 92 ARG CA C 92 56.671 56.671 59.739 -3.068 18728 9640 1 10 . 1 1 92 92 ARG CB C 92 30.776 30.776 30.119 0.657 18728 9641 1 10 . 1 1 92 92 ARG H H 92 8.425 8.425 8.877 -0.452 18728 9642 1 10 . 1 1 93 93 GLU N N 93 121.483 121.483 116.386 5.097 18728 9643 1 10 . 1 1 93 93 GLU HA H 93 4.181 4.181 4.115 0.066 18728 9644 1 10 . 1 1 93 93 GLU C C 93 176.605 176.605 178.257 -1.652 18728 9645 1 10 . 1 1 93 93 GLU CA C 93 57.185 57.185 58.485 -1.300 18728 9646 1 10 . 1 1 93 93 GLU CB C 93 30.015 30.015 29.128 0.887 18728 9647 1 10 . 1 1 93 93 GLU H H 93 8.503 8.503 8.474 0.029 18728 9648 1 10 . 1 1 94 94 ASP N N 94 121.305 121.305 118.559 2.746 18728 9649 1 10 . 1 1 94 94 ASP HA H 94 4.540 4.540 4.576 -0.036 18728 9650 1 10 . 1 1 94 94 ASP C C 94 176.744 176.744 178.482 -1.738 18728 9651 1 10 . 1 1 94 94 ASP CA C 94 54.678 54.678 56.242 -1.564 18728 9652 1 10 . 1 1 94 94 ASP CB C 94 41.183 41.183 41.555 -0.372 18728 9653 1 10 . 1 1 94 94 ASP H H 94 8.229 8.229 7.718 0.511 18728 9654 1 10 . 1 1 95 95 SER N N 95 115.787 115.787 115.155 0.632 18728 9655 1 10 . 1 1 95 95 SER HA H 95 4.286 4.286 4.035 0.251 18728 9656 1 10 . 1 1 95 95 SER C C 95 174.602 174.602 175.477 -0.875 18728 9657 1 10 . 1 1 95 95 SER CA C 95 58.957 58.957 60.255 -1.298 18728 9658 1 10 . 1 1 95 95 SER CB C 95 64.524 64.524 62.887 1.637 18728 9659 1 10 . 1 1 95 95 SER H H 95 8.109 8.109 8.241 -0.132 18728 9660 1 10 . 1 1 96 96 GLN N N 96 120.796 120.796 118.876 1.920 18728 9661 1 10 . 1 1 96 96 GLN HA H 96 4.297 4.297 4.199 0.098 18728 9662 1 10 . 1 1 96 96 GLN C C 96 175.742 175.742 175.867 -0.125 18728 9663 1 10 . 1 1 96 96 GLN CA C 96 55.721 55.721 56.406 -0.685 18728 9664 1 10 . 1 1 96 96 GLN CB C 96 29.313 29.313 29.299 0.014 18728 9665 1 10 . 1 1 96 96 GLN H H 96 8.161 8.161 7.338 0.823 18728 9666 1 10 . 1 1 97 97 ARG N N 97 122.462 122.462 120.163 2.299 18728 9667 1 10 . 1 1 97 97 ARG HA H 97 4.552 4.552 4.705 -0.153 18728 9668 1 10 . 1 1 97 97 ARG CA C 97 54.096 54.096 52.444 1.652 18728 9669 1 10 . 1 1 97 97 ARG CB C 97 30.115 30.115 29.178 0.937 18728 9670 1 10 . 1 1 97 97 ARG H H 97 8.029 8.029 7.643 0.386 18728 9671 1 10 . 1 1 98 98 PRO HA H 98 4.362 4.362 4.345 0.017 18728 9672 1 10 . 1 1 98 98 PRO C C 98 177.715 177.715 177.564 0.151 18728 9673 1 10 . 1 1 98 98 PRO CA C 98 63.592 63.592 63.468 0.124 18728 9674 1 10 . 1 1 98 98 PRO CB C 98 31.955 31.955 31.320 0.635 18728 9675 1 10 . 1 1 99 99 GLY N N 99 109.572 109.572 113.271 -3.699 18728 9676 1 10 . 1 1 99 99 GLY C C 99 174.356 174.356 174.860 -0.504 18728 9677 1 10 . 1 1 99 99 GLY CA C 99 45.395 45.395 44.756 0.639 18728 9678 1 10 . 1 1 99 99 GLY H H 99 8.516 8.516 8.737 -0.221 18728 9679 1 10 . 1 1 100 100 ALA N N 100 123.418 123.418 122.337 1.081 18728 9680 1 10 . 1 1 100 100 ALA HA H 100 4.141 4.141 4.048 0.093 18728 9681 1 10 . 1 1 100 100 ALA CA C 100 53.160 53.160 53.539 -0.380 18728 9682 1 10 . 1 1 100 100 ALA CB C 100 19.185 19.185 19.339 -0.154 18728 9683 1 10 . 1 1 100 100 ALA H H 100 8.015 8.015 7.452 0.563 18728 9684 1 10 . 1 1 101 101 HIS HA H 101 4.502 4.502 4.429 0.073 18728 9685 1 10 . 1 1 101 101 HIS C C 101 175.102 175.102 174.366 0.736 18728 9686 1 10 . 1 1 101 101 HIS CA C 101 56.309 56.309 54.378 1.931 18728 9687 1 10 . 1 1 101 101 HIS CB C 101 30.450 30.450 28.856 1.594 18728 9688 1 10 . 1 1 102 102 LEU N N 102 122.495 122.495 118.239 4.256 18728 9689 1 10 . 1 1 102 102 LEU HA H 102 4.263 4.263 4.366 -0.103 18728 9690 1 10 . 1 1 102 102 LEU C C 102 177.020 177.020 177.540 -0.520 18728 9691 1 10 . 1 1 102 102 LEU CA C 102 54.934 54.934 54.150 0.784 18728 9692 1 10 . 1 1 102 102 LEU CB C 102 42.414 42.414 43.256 -0.842 18728 9693 1 10 . 1 1 102 102 LEU H H 102 7.774 7.774 7.004 0.770 18728 9694 1 10 . 1 1 103 103 THR N N 103 115.720 115.720 117.824 -2.104 18728 9695 1 10 . 1 1 103 103 THR HA H 103 4.220 4.220 4.179 0.041 18728 9696 1 10 . 1 1 103 103 THR C C 103 174.185 174.185 173.411 0.774 18728 9697 1 10 . 1 1 103 103 THR CA C 103 60.917 60.917 62.329 -1.412 18728 9698 1 10 . 1 1 103 103 THR CB C 103 69.340 69.340 67.932 1.408 18728 9699 1 10 . 1 1 103 103 THR H H 103 8.001 8.001 8.590 -0.589 18728 9700 1 10 . 1 1 104 104 VAL N N 104 122.004 122.004 125.527 -3.523 18728 9701 1 10 . 1 1 104 104 VAL HA H 104 4.330 4.330 4.744 -0.414 18728 9702 1 10 . 1 1 104 104 VAL C C 104 175.294 175.294 174.714 0.580 18728 9703 1 10 . 1 1 104 104 VAL CA C 104 61.877 61.877 60.036 1.841 18728 9704 1 10 . 1 1 104 104 VAL CB C 104 34.220 34.220 34.003 0.217 18728 9705 1 10 . 1 1 104 104 VAL H H 104 8.191 8.191 7.748 0.443 18728 9706 1 10 . 1 1 105 105 LYS N N 105 121.406 121.406 128.576 -7.170 18728 9707 1 10 . 1 1 105 105 LYS HA H 105 4.498 4.498 4.585 -0.087 18728 9708 1 10 . 1 1 105 105 LYS C C 105 173.482 173.482 175.405 -1.923 18728 9709 1 10 . 1 1 105 105 LYS CA C 105 56.433 56.433 55.223 1.210 18728 9710 1 10 . 1 1 105 105 LYS CB C 105 33.245 33.245 32.493 0.752 18728 9711 1 10 . 1 1 105 105 LYS H H 105 8.672 8.672 9.101 -0.429 18728 9712 1 10 . 1 1 106 106 LYS N N 106 121.756 121.756 119.142 2.614 18728 9713 1 10 . 1 1 106 106 LYS HA H 106 5.623 5.623 5.307 0.316 18728 9714 1 10 . 1 1 106 106 LYS C C 106 175.153 175.153 175.363 -0.210 18728 9715 1 10 . 1 1 106 106 LYS CA C 106 54.537 54.537 54.850 -0.313 18728 9716 1 10 . 1 1 106 106 LYS CB C 106 37.407 37.407 36.554 0.853 18728 9717 1 10 . 1 1 106 106 LYS H H 106 7.134 7.134 7.671 -0.537 18728 9718 1 10 . 1 1 107 107 ILE N N 107 115.982 115.982 118.110 -2.128 18728 9719 1 10 . 1 1 107 107 ILE HA H 107 5.110 5.110 5.182 -0.072 18728 9720 1 10 . 1 1 107 107 ILE C C 107 174.525 174.525 173.777 0.748 18728 9721 1 10 . 1 1 107 107 ILE CA C 107 59.009 59.009 59.274 -0.265 18728 9722 1 10 . 1 1 107 107 ILE CB C 107 40.552 40.552 41.658 -1.106 18728 9723 1 10 . 1 1 107 107 ILE H H 107 8.948 8.948 8.271 0.677 18728 9724 1 10 . 1 1 108 108 PHE N N 108 124.182 124.182 124.277 -0.095 18728 9725 1 10 . 1 1 108 108 PHE HA H 108 4.696 4.696 4.363 0.333 18728 9726 1 10 . 1 1 108 108 PHE C C 108 173.422 173.422 173.295 0.127 18728 9727 1 10 . 1 1 108 108 PHE CA C 108 56.567 56.567 56.062 0.505 18728 9728 1 10 . 1 1 108 108 PHE CB C 108 41.596 41.596 41.820 -0.224 18728 9729 1 10 . 1 1 108 108 PHE H H 108 9.103 9.103 9.010 0.093 18728 9730 1 10 . 1 1 109 109 VAL N N 109 126.956 126.956 125.906 1.050 18728 9731 1 10 . 1 1 109 109 VAL HA H 109 4.497 4.497 4.669 -0.172 18728 9732 1 10 . 1 1 109 109 VAL C C 109 174.097 174.097 173.888 0.209 18728 9733 1 10 . 1 1 109 109 VAL CA C 109 60.493 60.493 59.914 0.578 18728 9734 1 10 . 1 1 109 109 VAL CB C 109 33.266 33.266 32.923 0.343 18728 9735 1 10 . 1 1 109 109 VAL H H 109 8.338 8.338 7.898 0.440 18728 9736 1 10 . 1 1 110 110 GLY N N 110 113.617 113.617 112.729 0.888 18728 9737 1 10 . 1 1 110 110 GLY C C 110 174.325 174.325 173.203 1.122 18728 9738 1 10 . 1 1 110 110 GLY CA C 110 44.011 44.011 43.768 0.243 18728 9739 1 10 . 1 1 110 110 GLY H H 110 9.173 9.173 8.560 0.613 18728 9740 1 10 . 1 1 111 111 GLY N N 111 106.411 106.411 110.421 -4.010 18728 9741 1 10 . 1 1 111 111 GLY CA C 111 46.359 46.359 45.058 1.301 18728 9742 1 10 . 1 1 111 111 GLY H H 111 8.221 8.221 8.453 -0.232 18728 9743 1 10 . 1 1 116 116 THR HA H 116 4.322 4.322 4.851 -0.529 18728 9744 1 10 . 1 1 116 116 THR C C 116 173.380 173.380 173.733 -0.353 18728 9745 1 10 . 1 1 116 116 THR CA C 116 63.000 63.000 61.256 1.744 18728 9746 1 10 . 1 1 117 117 GLU N N 117 130.298 130.298 123.242 7.056 18728 9747 1 10 . 1 1 117 117 GLU HA H 117 4.632 4.632 4.694 -0.062 18728 9748 1 10 . 1 1 117 117 GLU C C 117 177.632 177.632 176.673 0.959 18728 9749 1 10 . 1 1 117 117 GLU CA C 117 53.853 53.853 54.114 -0.261 18728 9750 1 10 . 1 1 117 117 GLU CB C 117 32.977 32.977 32.620 0.357 18728 9751 1 10 . 1 1 117 117 GLU H H 117 11.190 11.190 8.836 2.354 18728 9752 1 10 . 1 1 118 118 GLU N N 118 122.126 122.126 123.257 -1.131 18728 9753 1 10 . 1 1 118 118 GLU HA H 118 3.627 3.627 3.985 -0.358 18728 9754 1 10 . 1 1 118 118 GLU C C 118 179.294 179.294 177.989 1.305 18728 9755 1 10 . 1 1 118 118 GLU CA C 118 61.689 61.689 60.269 1.420 18728 9756 1 10 . 1 1 118 118 GLU CB C 118 29.075 29.075 29.655 -0.580 18728 9757 1 10 . 1 1 118 118 GLU H H 118 9.339 9.339 8.980 0.359 18728 9758 1 10 . 1 1 119 119 HIS N N 119 113.514 113.514 117.434 -3.920 18728 9759 1 10 . 1 1 119 119 HIS HA H 119 4.265 4.265 4.275 -0.010 18728 9760 1 10 . 1 1 119 119 HIS C C 119 176.566 176.566 178.070 -1.504 18728 9761 1 10 . 1 1 119 119 HIS CA C 119 58.917 58.917 60.439 -1.522 18728 9762 1 10 . 1 1 119 119 HIS CB C 119 28.187 28.187 28.882 -0.695 18728 9763 1 10 . 1 1 119 119 HIS H H 119 8.240 8.240 8.901 -0.661 18728 9764 1 10 . 1 1 120 120 HIS N N 120 118.629 118.629 117.932 0.697 18728 9765 1 10 . 1 1 120 120 HIS HA H 120 4.332 4.332 4.264 0.068 18728 9766 1 10 . 1 1 120 120 HIS C C 120 179.713 179.713 177.446 2.267 18728 9767 1 10 . 1 1 120 120 HIS CA C 120 60.310 60.310 59.180 1.130 18728 9768 1 10 . 1 1 120 120 HIS CB C 120 32.233 32.233 29.642 2.591 18728 9769 1 10 . 1 1 120 120 HIS H H 120 6.474 6.474 7.990 -1.516 18728 9770 1 10 . 1 1 121 121 LEU N N 121 117.249 117.249 116.037 1.212 18728 9771 1 10 . 1 1 121 121 LEU HA H 121 4.179 4.179 4.328 -0.149 18728 9772 1 10 . 1 1 121 121 LEU C C 121 178.020 178.020 178.371 -0.351 18728 9773 1 10 . 1 1 121 121 LEU CA C 121 57.924 57.924 57.964 -0.040 18728 9774 1 10 . 1 1 121 121 LEU CB C 121 42.577 42.577 41.192 1.385 18728 9775 1 10 . 1 1 121 121 LEU H H 121 7.132 7.132 7.626 -0.494 18728 9776 1 10 . 1 1 122 122 ARG N N 122 121.766 121.766 121.121 0.645 18728 9777 1 10 . 1 1 122 122 ARG HA H 122 3.741 3.741 4.029 -0.288 18728 9778 1 10 . 1 1 122 122 ARG C C 122 177.023 177.023 178.162 -1.139 18728 9779 1 10 . 1 1 122 122 ARG CA C 122 60.508 60.508 59.730 0.778 18728 9780 1 10 . 1 1 122 122 ARG CB C 122 30.256 30.256 29.667 0.589 18728 9781 1 10 . 1 1 122 122 ARG H H 122 8.759 8.759 8.916 -0.157 18728 9782 1 10 . 1 1 123 123 ASP N N 123 116.299 116.299 118.117 -1.818 18728 9783 1 10 . 1 1 123 123 ASP HA H 123 4.294 4.294 4.399 -0.105 18728 9784 1 10 . 1 1 123 123 ASP C C 123 178.057 178.057 178.195 -0.138 18728 9785 1 10 . 1 1 123 123 ASP CA C 123 57.076 57.076 57.306 -0.230 18728 9786 1 10 . 1 1 123 123 ASP CB C 123 40.572 40.572 40.915 -0.343 18728 9787 1 10 . 1 1 123 123 ASP H H 123 8.423 8.423 8.073 0.350 18728 9788 1 10 . 1 1 124 124 TYR N N 124 115.172 115.172 119.729 -4.557 18728 9789 1 10 . 1 1 124 124 TYR HA H 124 4.338 4.338 4.238 0.100 18728 9790 1 10 . 1 1 124 124 TYR C C 124 177.688 177.688 177.762 -0.074 18728 9791 1 10 . 1 1 124 124 TYR CA C 124 61.660 61.660 61.107 0.553 18728 9792 1 10 . 1 1 124 124 TYR CB C 124 39.847 39.847 38.919 0.928 18728 9793 1 10 . 1 1 124 124 TYR H H 124 7.212 7.212 7.437 -0.225 18728 9794 1 10 . 1 1 125 125 PHE N N 125 113.932 113.932 117.571 -3.639 18728 9795 1 10 . 1 1 125 125 PHE HA H 125 4.515 4.515 4.234 0.281 18728 9796 1 10 . 1 1 125 125 PHE C C 125 178.209 178.209 177.947 0.262 18728 9797 1 10 . 1 1 125 125 PHE CA C 125 63.404 63.404 61.328 2.076 18728 9798 1 10 . 1 1 125 125 PHE CB C 125 38.614 38.614 38.495 0.119 18728 9799 1 10 . 1 1 125 125 PHE H H 125 8.802 8.802 8.890 -0.088 18728 9800 1 10 . 1 1 126 126 GLU N N 126 120.515 120.515 118.533 1.982 18728 9801 1 10 . 1 1 126 126 GLU HA H 126 4.884 4.884 4.407 0.477 18728 9802 1 10 . 1 1 126 126 GLU C C 126 177.936 177.936 177.659 0.277 18728 9803 1 10 . 1 1 126 126 GLU CA C 126 58.560 58.560 58.481 0.079 18728 9804 1 10 . 1 1 126 126 GLU CB C 126 28.516 28.516 29.172 -0.656 18728 9805 1 10 . 1 1 126 126 GLU H H 126 8.869 8.869 7.977 0.892 18728 9806 1 10 . 1 1 127 127 GLN N N 127 115.855 115.855 116.300 -0.445 18728 9807 1 10 . 1 1 127 127 GLN HA H 127 4.055 4.055 4.017 0.038 18728 9808 1 10 . 1 1 127 127 GLN C C 127 176.656 176.656 178.168 -1.512 18728 9809 1 10 . 1 1 127 127 GLN CA C 127 57.566 57.566 57.695 -0.129 18728 9810 1 10 . 1 1 127 127 GLN CB C 127 29.047 29.047 28.738 0.310 18728 9811 1 10 . 1 1 127 127 GLN H H 127 7.105 7.105 7.621 -0.516 18728 9812 1 10 . 1 1 128 128 TYR N N 128 116.626 116.626 117.675 -1.049 18728 9813 1 10 . 1 1 128 128 TYR HA H 128 4.328 4.328 4.355 -0.027 18728 9814 1 10 . 1 1 128 128 TYR C C 128 175.596 175.596 175.798 -0.202 18728 9815 1 10 . 1 1 128 128 TYR CA C 128 59.492 59.492 59.526 -0.034 18728 9816 1 10 . 1 1 128 128 TYR CB C 128 39.539 39.539 39.805 -0.266 18728 9817 1 10 . 1 1 128 128 TYR H H 128 7.950 7.950 7.740 0.210 18728 9818 1 10 . 1 1 129 129 GLY N N 129 107.386 107.386 103.209 4.177 18728 9819 1 10 . 1 1 129 129 GLY C C 129 170.407 170.407 171.976 -1.569 18728 9820 1 10 . 1 1 129 129 GLY CA C 129 44.819 44.819 45.171 -0.352 18728 9821 1 10 . 1 1 129 129 GLY H H 129 7.492 7.492 7.593 -0.101 18728 9822 1 10 . 1 1 130 130 LYS N N 130 117.786 117.786 121.508 -3.722 18728 9823 1 10 . 1 1 130 130 LYS HA H 130 4.315 4.315 4.706 -0.391 18728 9824 1 10 . 1 1 130 130 LYS C C 130 177.097 177.097 175.973 1.124 18728 9825 1 10 . 1 1 130 130 LYS CA C 130 56.938 56.938 56.313 0.625 18728 9826 1 10 . 1 1 130 130 LYS CB C 130 33.199 33.199 33.437 -0.238 18728 9827 1 10 . 1 1 130 130 LYS H H 130 8.135 8.135 8.587 -0.452 18728 9828 1 10 . 1 1 131 131 ILE N N 131 127.829 127.829 126.743 1.086 18728 9829 1 10 . 1 1 131 131 ILE HA H 131 3.681 3.681 3.851 -0.170 18728 9830 1 10 . 1 1 131 131 ILE C C 131 175.841 175.841 175.900 -0.059 18728 9831 1 10 . 1 1 131 131 ILE CA C 131 61.625 61.625 60.527 1.098 18728 9832 1 10 . 1 1 131 131 ILE CB C 131 40.441 40.441 39.517 0.924 18728 9833 1 10 . 1 1 131 131 ILE H H 131 8.917 8.917 9.273 -0.356 18728 9834 1 10 . 1 1 132 132 GLU N N 132 128.437 128.437 125.807 2.630 18728 9835 1 10 . 1 1 132 132 GLU HA H 132 4.320 4.320 4.394 -0.074 18728 9836 1 10 . 1 1 132 132 GLU C C 132 176.192 176.192 176.234 -0.042 18728 9837 1 10 . 1 1 132 132 GLU CA C 132 57.816 57.816 57.674 0.142 18728 9838 1 10 . 1 1 132 132 GLU CB C 132 31.670 31.670 31.116 0.554 18728 9839 1 10 . 1 1 132 132 GLU H H 132 9.136 9.136 8.729 0.407 18728 9840 1 10 . 1 1 133 133 VAL N N 133 115.096 115.096 117.495 -2.399 18728 9841 1 10 . 1 1 133 133 VAL HA H 133 4.316 4.316 4.266 0.050 18728 9842 1 10 . 1 1 133 133 VAL C C 133 172.860 172.860 173.557 -0.697 18728 9843 1 10 . 1 1 133 133 VAL CA C 133 61.258 61.258 60.817 0.441 18728 9844 1 10 . 1 1 133 133 VAL CB C 133 35.526 35.526 35.690 -0.164 18728 9845 1 10 . 1 1 133 133 VAL H H 133 7.272 7.272 7.500 -0.228 18728 9846 1 10 . 1 1 134 134 ILE N N 134 126.870 126.870 125.120 1.750 18728 9847 1 10 . 1 1 134 134 ILE HA H 134 4.464 4.464 4.331 0.133 18728 9848 1 10 . 1 1 134 134 ILE C C 134 174.004 174.004 174.747 -0.743 18728 9849 1 10 . 1 1 134 134 ILE CA C 134 60.904 60.904 60.318 0.586 18728 9850 1 10 . 1 1 134 134 ILE CB C 134 40.408 40.408 39.860 0.548 18728 9851 1 10 . 1 1 134 134 ILE H H 134 8.566 8.566 8.818 -0.252 18728 9852 1 10 . 1 1 135 135 GLU N N 135 128.037 128.037 128.828 -0.791 18728 9853 1 10 . 1 1 135 135 GLU HA H 135 4.642 4.642 4.635 0.007 18728 9854 1 10 . 1 1 135 135 GLU C C 135 174.883 174.883 174.891 -0.008 18728 9855 1 10 . 1 1 135 135 GLU CA C 135 54.640 54.640 55.577 -0.937 18728 9856 1 10 . 1 1 135 135 GLU CB C 135 33.259 33.259 30.429 2.830 18728 9857 1 10 . 1 1 135 135 GLU H H 135 9.019 9.019 8.530 0.489 18728 9858 1 10 . 1 1 136 136 ILE N N 136 126.668 126.668 125.640 1.028 18728 9859 1 10 . 1 1 136 136 ILE HA H 136 3.898 3.898 4.326 -0.428 18728 9860 1 10 . 1 1 136 136 ILE C C 136 176.157 176.157 175.788 0.369 18728 9861 1 10 . 1 1 136 136 ILE CA C 136 61.336 61.336 59.726 1.610 18728 9862 1 10 . 1 1 136 136 ILE CB C 136 37.397 37.397 37.318 0.079 18728 9863 1 10 . 1 1 136 136 ILE H H 136 8.967 8.967 8.403 0.564 18728 9864 1 10 . 1 1 137 137 MET N N 137 126.115 126.115 125.965 0.150 18728 9865 1 10 . 1 1 137 137 MET HA H 137 4.679 4.679 4.949 -0.270 18728 9866 1 10 . 1 1 137 137 MET C C 137 176.723 176.723 175.530 1.193 18728 9867 1 10 . 1 1 137 137 MET CA C 137 55.163 55.163 53.677 1.486 18728 9868 1 10 . 1 1 137 137 MET CB C 137 30.841 30.841 34.172 -3.331 18728 9869 1 10 . 1 1 137 137 MET H H 137 7.656 7.656 8.327 -0.671 18728 9870 1 10 . 1 1 138 138 THR N N 138 116.735 116.735 112.693 4.042 18728 9871 1 10 . 1 1 138 138 THR HA H 138 4.746 4.746 4.512 0.234 18728 9872 1 10 . 1 1 138 138 THR C C 138 173.642 173.642 174.469 -0.827 18728 9873 1 10 . 1 1 138 138 THR CA C 138 60.385 60.385 60.530 -0.145 18728 9874 1 10 . 1 1 138 138 THR CB C 138 72.028 72.028 69.988 2.040 18728 9875 1 10 . 1 1 138 138 THR H H 138 8.551 8.551 8.223 0.328 18728 9876 1 10 . 1 1 139 139 ASP N N 139 123.899 123.899 123.374 0.525 18728 9877 1 10 . 1 1 139 139 ASP HA H 139 4.677 4.677 4.244 0.433 18728 9878 1 10 . 1 1 139 139 ASP CA C 139 53.728 53.728 55.236 -1.508 18728 9879 1 10 . 1 1 139 139 ASP CB C 139 42.270 42.270 42.463 -0.193 18728 9880 1 10 . 1 1 139 139 ASP H H 139 8.818 8.818 8.643 0.175 18728 9881 1 10 . 1 1 140 140 ARG HA H 140 4.037 4.037 4.232 -0.195 18728 9882 1 10 . 1 1 140 140 ARG C C 140 177.886 177.886 177.122 0.764 18728 9883 1 10 . 1 1 140 140 ARG CB C 140 29.886 29.886 29.758 0.128 18728 9884 1 10 . 1 1 141 141 GLY N N 141 107.951 107.951 106.861 1.090 18728 9885 1 10 . 1 1 141 141 GLY C C 141 174.861 174.861 175.533 -0.672 18728 9886 1 10 . 1 1 141 141 GLY CA C 141 46.490 46.490 45.459 1.030 18728 9887 1 10 . 1 1 141 141 GLY H H 141 8.635 8.635 8.548 0.087 18728 9888 1 10 . 1 1 142 142 SER N N 142 114.044 114.044 116.331 -2.287 18728 9889 1 10 . 1 1 142 142 SER HA H 142 4.533 4.533 4.420 0.113 18728 9890 1 10 . 1 1 142 142 SER C C 142 176.080 176.080 175.750 0.330 18728 9891 1 10 . 1 1 142 142 SER CA C 142 58.429 58.429 58.957 -0.528 18728 9892 1 10 . 1 1 142 142 SER CB C 142 65.439 65.439 63.958 1.481 18728 9893 1 10 . 1 1 142 142 SER H H 142 8.034 8.034 8.674 -0.640 18728 9894 1 10 . 1 1 143 143 GLY N N 143 112.348 112.348 108.474 3.874 18728 9895 1 10 . 1 1 143 143 GLY C C 143 173.949 173.949 173.745 0.204 18728 9896 1 10 . 1 1 143 143 GLY CA C 143 45.703 45.703 45.839 -0.136 18728 9897 1 10 . 1 1 143 143 GLY H H 143 8.363 8.363 7.723 0.640 18728 9898 1 10 . 1 1 144 144 LYS N N 144 119.966 119.966 119.186 0.780 18728 9899 1 10 . 1 1 144 144 LYS HA H 144 4.273 4.273 4.465 -0.192 18728 9900 1 10 . 1 1 144 144 LYS C C 144 176.969 176.969 176.073 0.896 18728 9901 1 10 . 1 1 144 144 LYS CA C 144 56.145 56.145 53.774 2.371 18728 9902 1 10 . 1 1 144 144 LYS CB C 144 33.378 33.378 33.757 -0.379 18728 9903 1 10 . 1 1 144 144 LYS H H 144 7.786 7.786 7.765 0.021 18728 9904 1 10 . 1 1 145 145 LYS N N 145 123.668 123.668 121.453 2.215 18728 9905 1 10 . 1 1 145 145 LYS HA H 145 4.187 4.187 4.235 -0.048 18728 9906 1 10 . 1 1 145 145 LYS C C 145 177.498 177.498 175.627 1.871 18728 9907 1 10 . 1 1 145 145 LYS CA C 145 57.392 57.392 56.861 0.531 18728 9908 1 10 . 1 1 145 145 LYS CB C 145 32.577 32.577 31.392 1.185 18728 9909 1 10 . 1 1 145 145 LYS H H 145 8.968 8.968 8.692 0.276 18728 9910 1 10 . 1 1 146 146 ARG N N 146 119.700 119.700 121.583 -1.883 18728 9911 1 10 . 1 1 146 146 ARG HA H 146 4.294 4.294 4.541 -0.247 18728 9912 1 10 . 1 1 146 146 ARG CA C 146 56.365 56.365 55.431 0.934 18728 9913 1 10 . 1 1 146 146 ARG CB C 146 30.786 30.786 33.932 -3.146 18728 9914 1 10 . 1 1 146 146 ARG H H 146 8.095 8.095 8.087 0.008 18728 9915 1 10 . 1 1 147 147 GLY N N 147 110.572 110.572 111.668 -1.096 18728 9916 1 10 . 1 1 147 147 GLY C C 147 173.384 173.384 172.728 0.656 18728 9917 1 10 . 1 1 147 147 GLY CA C 147 45.440 45.440 46.256 -0.816 18728 9918 1 10 . 1 1 147 147 GLY H H 147 8.401 8.401 8.760 -0.359 18728 9919 1 10 . 1 1 148 148 PHE N N 148 114.199 114.199 116.344 -2.145 18728 9920 1 10 . 1 1 148 148 PHE HA H 148 5.194 5.194 5.355 -0.161 18728 9921 1 10 . 1 1 148 148 PHE C C 148 172.409 172.409 172.866 -0.457 18728 9922 1 10 . 1 1 148 148 PHE CA C 148 55.282 55.282 56.106 -0.824 18728 9923 1 10 . 1 1 148 148 PHE CB C 148 41.869 41.869 40.947 0.922 18728 9924 1 10 . 1 1 148 148 PHE H H 148 7.255 7.255 7.141 0.114 18728 9925 1 10 . 1 1 149 149 ALA N N 149 121.427 121.427 120.655 0.772 18728 9926 1 10 . 1 1 149 149 ALA HA H 149 4.966 4.966 4.859 0.107 18728 9927 1 10 . 1 1 149 149 ALA C C 149 174.084 174.084 174.243 -0.159 18728 9928 1 10 . 1 1 149 149 ALA CA C 149 49.755 49.755 51.253 -1.498 18728 9929 1 10 . 1 1 149 149 ALA CB C 149 25.094 25.094 22.622 2.471 18728 9930 1 10 . 1 1 149 149 ALA H H 149 8.786 8.786 8.800 -0.014 18728 9931 1 10 . 1 1 150 150 PHE N N 150 114.425 114.425 115.739 -1.314 18728 9932 1 10 . 1 1 150 150 PHE HA H 150 5.874 5.874 5.404 0.470 18728 9933 1 10 . 1 1 150 150 PHE C C 150 176.196 176.196 174.314 1.882 18728 9934 1 10 . 1 1 150 150 PHE CA C 150 56.070 56.070 57.403 -1.333 18728 9935 1 10 . 1 1 150 150 PHE CB C 150 43.251 43.251 44.541 -1.290 18728 9936 1 10 . 1 1 150 150 PHE H H 150 8.689 8.689 9.057 -0.368 18728 9937 1 10 . 1 1 151 151 VAL N N 151 122.489 122.489 120.720 1.769 18728 9938 1 10 . 1 1 151 151 VAL HA H 151 4.375 4.375 4.455 -0.080 18728 9939 1 10 . 1 1 151 151 VAL C C 151 173.932 173.932 173.966 -0.034 18728 9940 1 10 . 1 1 151 151 VAL CA C 151 61.454 61.454 60.715 0.739 18728 9941 1 10 . 1 1 151 151 VAL CB C 151 33.869 33.869 35.971 -2.102 18728 9942 1 10 . 1 1 151 151 VAL H H 151 8.559 8.559 8.433 0.126 18728 9943 1 10 . 1 1 152 152 THR N N 152 123.112 123.112 125.356 -2.244 18728 9944 1 10 . 1 1 152 152 THR HA H 152 4.995 4.995 4.771 0.224 18728 9945 1 10 . 1 1 152 152 THR C C 152 174.047 174.047 173.723 0.324 18728 9946 1 10 . 1 1 152 152 THR CA C 152 61.931 61.931 62.408 -0.477 18728 9947 1 10 . 1 1 152 152 THR CB C 152 69.689 69.689 69.262 0.427 18728 9948 1 10 . 1 1 152 152 THR H H 152 8.723 8.723 8.791 -0.068 18728 9949 1 10 . 1 1 153 153 PHE N N 153 127.746 127.746 126.374 1.372 18728 9950 1 10 . 1 1 153 153 PHE HA H 153 4.840 4.840 4.438 0.402 18728 9951 1 10 . 1 1 153 153 PHE C C 153 174.720 174.720 175.176 -0.456 18728 9952 1 10 . 1 1 153 153 PHE CA C 153 58.098 58.098 58.514 -0.416 18728 9953 1 10 . 1 1 153 153 PHE CB C 153 41.706 41.706 41.329 0.377 18728 9954 1 10 . 1 1 153 153 PHE H H 153 9.368 9.368 9.103 0.265 18728 9955 1 10 . 1 1 154 154 ASP N N 154 118.371 118.371 120.444 -2.073 18728 9956 1 10 . 1 1 154 154 ASP HA H 154 4.486 4.486 4.578 -0.092 18728 9957 1 10 . 1 1 154 154 ASP C C 154 175.668 175.668 175.533 0.135 18728 9958 1 10 . 1 1 154 154 ASP CA C 154 56.114 56.114 56.281 -0.167 18728 9959 1 10 . 1 1 154 154 ASP CB C 154 42.576 42.576 42.647 -0.070 18728 9960 1 10 . 1 1 154 154 ASP H H 154 8.196 8.196 9.026 -0.830 18728 9961 1 10 . 1 1 155 155 ASP N N 155 117.144 117.144 116.106 1.038 18728 9962 1 10 . 1 1 155 155 ASP HA H 155 4.909 4.909 4.930 -0.021 18728 9963 1 10 . 1 1 155 155 ASP C C 155 176.392 176.392 176.159 0.233 18728 9964 1 10 . 1 1 155 155 ASP CA C 155 52.615 52.615 52.356 0.259 18728 9965 1 10 . 1 1 155 155 ASP CB C 155 44.471 44.471 44.443 0.028 18728 9966 1 10 . 1 1 155 155 ASP H H 155 8.323 8.323 7.733 0.590 18728 9967 1 10 . 1 1 156 156 HIS N N 156 121.508 121.508 120.298 1.210 18728 9968 1 10 . 1 1 156 156 HIS HA H 156 4.336 4.336 4.596 -0.260 18728 9969 1 10 . 1 1 156 156 HIS C C 156 176.855 176.855 176.223 0.632 18728 9970 1 10 . 1 1 156 156 HIS CA C 156 58.593 58.593 57.299 1.294 18728 9971 1 10 . 1 1 156 156 HIS CB C 156 29.703 29.703 29.741 -0.038 18728 9972 1 10 . 1 1 156 156 HIS H H 156 8.492 8.492 8.394 0.098 18728 9973 1 10 . 1 1 157 157 ASP N N 157 122.539 122.539 120.284 2.255 18728 9974 1 10 . 1 1 157 157 ASP HA H 157 4.254 4.254 4.337 -0.083 18728 9975 1 10 . 1 1 157 157 ASP C C 157 178.233 178.233 178.009 0.224 18728 9976 1 10 . 1 1 157 157 ASP CA C 157 57.047 57.047 57.771 -0.724 18728 9977 1 10 . 1 1 157 157 ASP CB C 157 40.875 40.875 40.412 0.463 18728 9978 1 10 . 1 1 157 157 ASP H H 157 8.345 8.345 7.587 0.758 18728 9979 1 10 . 1 1 158 158 SER N N 158 113.623 113.623 114.123 -0.500 18728 9980 1 10 . 1 1 158 158 SER HA H 158 3.899 3.899 4.145 -0.246 18728 9981 1 10 . 1 1 158 158 SER C C 158 174.750 174.750 175.889 -1.139 18728 9982 1 10 . 1 1 158 158 SER CA C 158 61.914 61.914 61.765 0.149 18728 9983 1 10 . 1 1 158 158 SER CB C 158 63.088 63.088 62.798 0.290 18728 9984 1 10 . 1 1 158 158 SER H H 158 7.424 7.424 8.233 -0.809 18728 9985 1 10 . 1 1 159 159 VAL N N 159 118.448 118.448 122.368 -3.920 18728 9986 1 10 . 1 1 159 159 VAL HA H 159 2.913 2.913 3.123 -0.210 18728 9987 1 10 . 1 1 159 159 VAL C C 159 177.269 177.269 177.000 0.269 18728 9988 1 10 . 1 1 159 159 VAL CA C 159 66.512 66.512 66.268 0.244 18728 9989 1 10 . 1 1 159 159 VAL CB C 159 31.395 31.395 31.633 -0.238 18728 9990 1 10 . 1 1 159 159 VAL H H 159 6.484 6.484 7.039 -0.555 18728 9991 1 10 . 1 1 160 160 ASP N N 160 119.064 119.064 119.892 -0.828 18728 9992 1 10 . 1 1 160 160 ASP HA H 160 4.275 4.275 4.320 -0.045 18728 9993 1 10 . 1 1 160 160 ASP C C 160 178.284 178.284 178.322 -0.038 18728 9994 1 10 . 1 1 160 160 ASP CA C 160 57.798 57.798 57.435 0.363 18728 9995 1 10 . 1 1 160 160 ASP CB C 160 40.288 40.288 40.782 -0.495 18728 9996 1 10 . 1 1 160 160 ASP H H 160 7.663 7.663 8.049 -0.386 18728 9997 1 10 . 1 1 161 161 LYS N N 161 116.568 116.568 118.492 -1.924 18728 9998 1 10 . 1 1 161 161 LYS HA H 161 4.030 4.030 4.022 0.008 18728 9999 1 10 . 1 1 161 161 LYS C C 161 178.205 178.205 178.530 -0.325 18728 10000 1 10 . 1 1 161 161 LYS CA C 161 58.796 58.796 59.523 -0.727 18728 10001 1 10 . 1 1 161 161 LYS CB C 161 33.298 33.298 32.596 0.702 18728 10002 1 10 . 1 1 161 161 LYS H H 161 7.465 7.465 7.772 -0.307 18728 10003 1 10 . 1 1 162 162 ILE N N 162 119.457 119.457 116.652 2.805 18728 10004 1 10 . 1 1 162 162 ILE HA H 162 3.241 3.241 3.768 -0.527 18728 10005 1 10 . 1 1 162 162 ILE C C 162 179.129 179.129 178.017 1.112 18728 10006 1 10 . 1 1 162 162 ILE CA C 162 65.201 65.201 64.519 0.682 18728 10007 1 10 . 1 1 162 162 ILE CB C 162 39.170 39.170 38.105 1.065 18728 10008 1 10 . 1 1 162 162 ILE H H 162 7.367 7.367 7.038 0.329 18728 10009 1 10 . 1 1 163 163 VAL N N 163 109.705 109.705 118.232 -8.527 18728 10010 1 10 . 1 1 163 163 VAL HA H 163 4.093 4.093 4.011 0.082 18728 10011 1 10 . 1 1 163 163 VAL C C 163 176.685 176.685 177.045 -0.360 18728 10012 1 10 . 1 1 163 163 VAL CA C 163 64.137 64.137 65.008 -0.871 18728 10013 1 10 . 1 1 163 163 VAL CB C 163 30.720 30.720 31.373 -0.653 18728 10014 1 10 . 1 1 163 163 VAL H H 163 7.814 7.814 7.587 0.227 18728 10015 1 10 . 1 1 164 164 ILE N N 164 118.885 118.885 118.663 0.222 18728 10016 1 10 . 1 1 164 164 ILE HA H 164 3.968 3.968 3.766 0.202 18728 10017 1 10 . 1 1 164 164 ILE C C 164 176.006 176.006 176.029 -0.023 18728 10018 1 10 . 1 1 164 164 ILE CA C 164 63.328 63.328 63.598 -0.270 18728 10019 1 10 . 1 1 164 164 ILE CB C 164 38.136 38.136 38.084 0.052 18728 10020 1 10 . 1 1 164 164 ILE H H 164 6.979 6.979 7.416 -0.437 18728 10021 1 10 . 1 1 165 165 GLN N N 165 120.509 120.509 117.758 2.751 18728 10022 1 10 . 1 1 165 165 GLN HA H 165 4.472 4.472 4.454 0.018 18728 10023 1 10 . 1 1 165 165 GLN C C 165 174.808 174.808 174.950 -0.142 18728 10024 1 10 . 1 1 165 165 GLN CA C 165 54.743 54.743 54.546 0.197 18728 10025 1 10 . 1 1 165 165 GLN CB C 165 30.183 30.183 28.714 1.469 18728 10026 1 10 . 1 1 165 165 GLN H H 165 7.490 7.490 7.761 -0.271 18728 10027 1 10 . 1 1 166 166 LYS N N 166 122.953 122.953 123.777 -0.824 18728 10028 1 10 . 1 1 166 166 LYS HA H 166 3.992 3.992 4.093 -0.101 18728 10029 1 10 . 1 1 166 166 LYS C C 166 175.496 175.496 175.651 -0.155 18728 10030 1 10 . 1 1 166 166 LYS CA C 166 59.718 59.718 59.057 0.661 18728 10031 1 10 . 1 1 166 166 LYS CB C 166 33.115 33.115 33.085 0.030 18728 10032 1 10 . 1 1 166 166 LYS H H 166 8.085 8.085 8.701 -0.616 18728 10033 1 10 . 1 1 167 167 TYR N N 167 114.210 114.210 115.595 -1.385 18728 10034 1 10 . 1 1 167 167 TYR HA H 167 5.457 5.457 5.378 0.079 18728 10035 1 10 . 1 1 167 167 TYR C C 167 175.593 175.593 175.995 -0.402 18728 10036 1 10 . 1 1 167 167 TYR CA C 167 56.417 56.417 56.847 -0.430 18728 10037 1 10 . 1 1 167 167 TYR CB C 167 40.057 40.057 40.954 -0.897 18728 10038 1 10 . 1 1 167 167 TYR H H 167 7.740 7.740 7.796 -0.056 18728 10039 1 10 . 1 1 168 168 HIS N N 168 122.617 122.617 121.775 0.842 18728 10040 1 10 . 1 1 168 168 HIS HA H 168 4.526 4.526 5.062 -0.536 18728 10041 1 10 . 1 1 168 168 HIS C C 168 174.213 174.213 173.838 0.375 18728 10042 1 10 . 1 1 168 168 HIS CA C 168 55.233 55.233 54.991 0.242 18728 10043 1 10 . 1 1 168 168 HIS CB C 168 34.906 34.906 34.874 0.032 18728 10044 1 10 . 1 1 168 168 HIS H H 168 9.035 9.035 9.262 -0.227 18728 10045 1 10 . 1 1 169 169 THR N N 169 121.981 121.981 118.564 3.417 18728 10046 1 10 . 1 1 169 169 THR HA H 169 4.722 4.722 5.232 -0.510 18728 10047 1 10 . 1 1 169 169 THR C C 169 172.973 172.973 173.437 -0.464 18728 10048 1 10 . 1 1 169 169 THR CA C 169 61.620 61.620 61.583 0.037 18728 10049 1 10 . 1 1 169 169 THR CB C 169 68.692 68.692 69.686 -0.994 18728 10050 1 10 . 1 1 169 169 THR H H 169 8.784 8.784 8.683 0.101 18728 10051 1 10 . 1 1 170 170 VAL N N 170 125.540 125.540 126.386 -0.846 18728 10052 1 10 . 1 1 170 170 VAL HA H 170 3.751 3.751 4.055 -0.304 18728 10053 1 10 . 1 1 170 170 VAL C C 170 175.997 175.997 174.735 1.262 18728 10054 1 10 . 1 1 170 170 VAL CA C 170 60.770 60.770 59.568 1.202 18728 10055 1 10 . 1 1 170 170 VAL CB C 170 34.216 34.216 32.834 1.382 18728 10056 1 10 . 1 1 170 170 VAL H H 170 8.268 8.268 8.464 -0.196 18728 10057 1 10 . 1 1 171 171 ASN N N 171 126.811 126.811 127.858 -1.047 18728 10058 1 10 . 1 1 171 171 ASN HA H 171 4.065 4.065 4.396 -0.331 18728 10059 1 10 . 1 1 171 171 ASN C C 171 174.266 174.266 175.257 -0.991 18728 10060 1 10 . 1 1 171 171 ASN CA C 171 53.184 53.184 53.462 -0.278 18728 10061 1 10 . 1 1 171 171 ASN CB C 171 37.436 37.436 37.947 -0.510 18728 10062 1 10 . 1 1 171 171 ASN H H 171 9.437 9.437 9.125 0.312 18728 10063 1 10 . 1 1 172 172 GLY N N 172 100.629 100.629 102.600 -1.971 18728 10064 1 10 . 1 1 172 172 GLY C C 172 173.335 173.335 174.114 -0.779 18728 10065 1 10 . 1 1 172 172 GLY CA C 172 45.154 45.154 45.149 0.005 18728 10066 1 10 . 1 1 172 172 GLY H H 172 8.194 8.194 8.306 -0.112 18728 10067 1 10 . 1 1 173 173 HIS N N 173 119.555 119.555 122.469 -2.914 18728 10068 1 10 . 1 1 173 173 HIS HA H 173 4.860 4.860 4.547 0.313 18728 10069 1 10 . 1 1 173 173 HIS CA C 173 53.723 53.723 55.355 -1.632 18728 10070 1 10 . 1 1 173 173 HIS CB C 173 31.589 31.589 28.598 2.991 18728 10071 1 10 . 1 1 173 173 HIS H H 173 7.657 7.657 7.932 -0.275 18728 10072 1 10 . 1 1 174 174 ASN N N 174 122.936 122.936 124.034 -1.098 18728 10073 1 10 . 1 1 174 174 ASN HA H 174 4.794 4.794 5.398 -0.604 18728 10074 1 10 . 1 1 174 174 ASN C C 174 174.918 174.918 174.790 0.128 18728 10075 1 10 . 1 1 174 174 ASN CA C 174 53.748 53.748 52.210 1.538 18728 10076 1 10 . 1 1 174 174 ASN CB C 174 38.185 38.185 38.516 -0.331 18728 10077 1 10 . 1 1 174 174 ASN H H 174 8.828 8.828 8.330 0.498 18728 10078 1 10 . 1 1 175 175 CYS N N 175 126.425 126.425 119.892 6.533 18728 10079 1 10 . 1 1 175 175 CYS HA H 175 4.872 4.872 4.964 -0.092 18728 10080 1 10 . 1 1 175 175 CYS C C 175 173.853 173.853 173.487 0.366 18728 10081 1 10 . 1 1 175 175 CYS CA C 175 59.380 59.380 56.137 3.243 18728 10082 1 10 . 1 1 175 175 CYS CB C 175 29.966 29.966 31.687 -1.721 18728 10083 1 10 . 1 1 175 175 CYS H H 175 9.078 9.078 9.001 0.077 18728 10084 1 10 . 1 1 176 176 GLU N N 176 124.488 124.488 121.375 3.113 18728 10085 1 10 . 1 1 176 176 GLU HA H 176 4.661 4.661 4.544 0.117 18728 10086 1 10 . 1 1 176 176 GLU C C 176 175.343 175.343 175.212 0.131 18728 10087 1 10 . 1 1 176 176 GLU CA C 176 55.296 55.296 55.697 -0.401 18728 10088 1 10 . 1 1 176 176 GLU CB C 176 31.550 31.550 31.005 0.545 18728 10089 1 10 . 1 1 176 176 GLU H H 176 8.161 8.161 8.902 -0.741 18728 10090 1 10 . 1 1 177 177 VAL N N 177 122.521 122.521 126.240 -3.719 18728 10091 1 10 . 1 1 177 177 VAL HA H 177 5.628 5.628 5.460 0.168 18728 10092 1 10 . 1 1 177 177 VAL C C 177 175.720 175.720 174.407 1.313 18728 10093 1 10 . 1 1 177 177 VAL CA C 177 59.713 59.713 60.604 -0.891 18728 10094 1 10 . 1 1 177 177 VAL CB C 177 34.523 34.523 34.338 0.185 18728 10095 1 10 . 1 1 177 177 VAL H H 177 8.684 8.684 8.922 -0.238 18728 10096 1 10 . 1 1 178 178 ARG N N 178 119.915 119.915 122.702 -2.787 18728 10097 1 10 . 1 1 178 178 ARG HA H 178 4.746 4.746 4.767 -0.021 18728 10098 1 10 . 1 1 178 178 ARG C C 178 175.689 175.689 174.652 1.037 18728 10099 1 10 . 1 1 178 178 ARG CA C 178 54.212 54.212 54.247 -0.035 18728 10100 1 10 . 1 1 178 178 ARG CB C 178 34.184 34.184 33.437 0.747 18728 10101 1 10 . 1 1 178 178 ARG H H 178 8.701 8.701 8.582 0.119 18728 10102 1 10 . 1 1 179 179 LYS N N 179 121.001 121.001 121.010 -0.009 18728 10103 1 10 . 1 1 179 179 LYS HA H 179 4.098 4.098 4.237 -0.139 18728 10104 1 10 . 1 1 179 179 LYS C C 179 176.026 176.026 176.117 -0.091 18728 10105 1 10 . 1 1 179 179 LYS CA C 179 59.027 59.027 56.485 2.542 18728 10106 1 10 . 1 1 179 179 LYS CB C 179 33.377 33.377 31.580 1.797 18728 10107 1 10 . 1 1 179 179 LYS H H 179 8.990 8.990 8.455 0.535 18728 10108 1 10 . 1 1 180 180 ALA N N 180 126.810 126.810 128.503 -1.693 18728 10109 1 10 . 1 1 180 180 ALA HA H 180 4.565 4.565 4.803 -0.238 18728 10110 1 10 . 1 1 180 180 ALA C C 180 175.318 175.318 176.007 -0.689 18728 10111 1 10 . 1 1 180 180 ALA CA C 180 51.432 51.432 50.853 0.579 18728 10112 1 10 . 1 1 180 180 ALA CB C 180 19.201 19.201 20.498 -1.297 18728 10113 1 10 . 1 1 180 180 ALA H H 180 8.378 8.378 8.553 -0.175 18728 10114 1 10 . 1 1 181 181 LEU N N 181 122.300 122.300 124.396 -2.096 18728 10115 1 10 . 1 1 181 181 LEU HA H 181 4.401 4.401 4.579 -0.178 18728 10116 1 10 . 1 1 181 181 LEU CA C 181 54.737 54.737 54.480 0.257 18728 10117 1 10 . 1 1 181 181 LEU CB C 181 43.199 43.199 42.083 1.116 18728 10118 1 10 . 1 1 181 181 LEU H H 181 8.001 8.001 8.732 -0.731 18728 10119 1 10 . 1 1 182 182 SER HA H 182 4.406 4.406 4.719 -0.313 18728 10120 1 10 . 1 1 182 182 SER CA C 182 58.100 58.100 56.345 1.755 18728 10121 1 10 . 1 1 182 182 SER CB C 182 64.440 64.440 64.611 -0.170 18728 10122 1 10 . 1 1 183 183 LYS HA H 183 4.101 4.101 4.184 -0.083 18728 10123 1 10 . 1 1 183 183 LYS C C 183 177.343 177.343 179.295 -1.952 18728 10124 1 10 . 1 1 183 183 LYS CA C 183 57.744 57.744 58.536 -0.792 18728 10125 1 10 . 1 1 183 183 LYS CB C 183 32.586 32.586 32.166 0.420 18728 10126 1 10 . 1 1 184 184 GLN N N 184 120.056 120.056 118.376 1.680 18728 10127 1 10 . 1 1 184 184 GLN HA H 184 4.167 4.167 4.125 0.042 18728 10128 1 10 . 1 1 184 184 GLN C C 184 176.718 176.718 177.620 -0.902 18728 10129 1 10 . 1 1 184 184 GLN CA C 184 56.981 56.981 59.421 -2.440 18728 10130 1 10 . 1 1 184 184 GLN CB C 184 28.990 28.990 28.603 0.387 18728 10131 1 10 . 1 1 184 184 GLN H H 184 8.320 8.320 8.302 0.018 18728 10132 1 10 . 1 1 185 185 GLU N N 185 121.610 121.610 119.256 2.354 18728 10133 1 10 . 1 1 185 185 GLU HA H 185 4.132 4.132 4.092 0.040 18728 10134 1 10 . 1 1 185 185 GLU C C 185 177.117 177.117 178.697 -1.580 18728 10135 1 10 . 1 1 185 185 GLU CA C 185 57.234 57.234 58.578 -1.344 18728 10136 1 10 . 1 1 185 185 GLU CB C 185 30.235 30.235 28.748 1.487 18728 10137 1 10 . 1 1 185 185 GLU H H 185 8.143 8.143 8.411 -0.268 18728 10138 1 10 . 1 1 186 186 MET N N 186 120.092 120.092 117.641 2.451 18728 10139 1 10 . 1 1 186 186 MET HA H 186 4.289 4.289 4.322 -0.033 18728 10140 1 10 . 1 1 186 186 MET C C 186 176.438 176.438 177.793 -1.355 18728 10141 1 10 . 1 1 186 186 MET CA C 186 56.069 56.069 57.844 -1.775 18728 10142 1 10 . 1 1 186 186 MET CB C 186 32.847 32.847 32.600 0.247 18728 10143 1 10 . 1 1 186 186 MET H H 186 8.195 8.195 8.612 -0.417 18728 10144 1 10 . 1 1 187 187 ALA N N 187 124.104 124.104 119.085 5.019 18728 10145 1 10 . 1 1 187 187 ALA HA H 187 4.297 4.297 4.342 -0.045 18728 10146 1 10 . 1 1 187 187 ALA C C 187 178.107 178.107 177.194 0.913 18728 10147 1 10 . 1 1 187 187 ALA CA C 187 52.912 52.912 51.731 1.181 18728 10148 1 10 . 1 1 187 187 ALA CB C 187 19.060 19.060 18.854 0.206 18728 10149 1 10 . 1 1 187 187 ALA H H 187 8.060 8.060 7.495 0.565 18728 10150 1 10 . 1 1 188 188 SER N N 188 114.374 114.374 113.325 1.049 18728 10151 1 10 . 1 1 188 188 SER HA H 188 4.357 4.357 4.193 0.164 18728 10152 1 10 . 1 1 188 188 SER C C 188 174.757 174.757 174.273 0.484 18728 10153 1 10 . 1 1 188 188 SER CA C 188 58.598 58.598 58.863 -0.265 18728 10154 1 10 . 1 1 188 188 SER CB C 188 63.734 63.734 61.821 1.913 18728 10155 1 10 . 1 1 188 188 SER H H 188 8.173 8.173 7.541 0.632 18728 10156 1 10 . 1 1 189 189 ALA N N 189 125.637 125.637 125.206 0.431 18728 10157 1 10 . 1 1 189 189 ALA HA H 189 4.246 4.246 4.314 -0.068 18728 10158 1 10 . 1 1 189 189 ALA CA C 189 53.015 53.015 51.207 1.808 18728 10159 1 10 . 1 1 189 189 ALA CB C 189 19.069 19.069 18.197 0.872 18728 10160 1 10 . 1 1 189 189 ALA H H 189 8.207 8.207 8.090 0.117 18728 10161 1 11 . 1 1 5 5 GLU N N 5 122.509 122.509 121.929 0.580 18728 10162 1 11 . 1 1 5 5 GLU HA H 5 4.345 4.345 4.323 0.022 18728 10163 1 11 . 1 1 5 5 GLU C C 5 176.240 176.240 175.277 0.963 18728 10164 1 11 . 1 1 5 5 GLU CA C 5 56.190 56.190 56.909 -0.719 18728 10165 1 11 . 1 1 5 5 GLU CB C 5 30.611 30.611 30.376 0.235 18728 10166 1 11 . 1 1 5 5 GLU H H 5 8.321 8.321 7.404 0.917 18728 10167 1 11 . 1 1 6 6 SER N N 6 118.728 118.728 118.504 0.224 18728 10168 1 11 . 1 1 6 6 SER HA H 6 4.342 4.342 4.812 -0.470 18728 10169 1 11 . 1 1 6 6 SER CA C 6 56.305 56.305 55.925 0.380 18728 10170 1 11 . 1 1 6 6 SER CB C 6 63.241 63.241 63.413 -0.172 18728 10171 1 11 . 1 1 6 6 SER H H 6 8.349 8.349 8.192 0.157 18728 10172 1 11 . 1 1 7 7 PRO HA H 7 4.427 4.427 4.575 -0.148 18728 10173 1 11 . 1 1 7 7 PRO C C 7 177.027 177.027 176.423 0.604 18728 10174 1 11 . 1 1 7 7 PRO CA C 7 63.271 63.271 62.780 0.491 18728 10175 1 11 . 1 1 7 7 PRO CB C 7 32.111 32.111 32.489 -0.378 18728 10176 1 11 . 1 1 8 8 LYS N N 8 121.819 121.819 122.653 -0.834 18728 10177 1 11 . 1 1 8 8 LYS HA H 8 4.290 4.290 4.446 -0.156 18728 10178 1 11 . 1 1 8 8 LYS C C 8 177.015 177.015 176.319 0.696 18728 10179 1 11 . 1 1 8 8 LYS CA C 8 56.455 56.455 57.235 -0.780 18728 10180 1 11 . 1 1 8 8 LYS CB C 8 33.341 33.341 32.845 0.496 18728 10181 1 11 . 1 1 8 8 LYS H H 8 8.445 8.445 8.649 -0.204 18728 10182 1 11 . 1 1 9 9 GLU N N 9 121.243 121.243 121.282 -0.039 18728 10183 1 11 . 1 1 9 9 GLU HA H 9 4.606 4.606 4.673 -0.067 18728 10184 1 11 . 1 1 9 9 GLU CA C 9 54.480 54.480 53.669 0.811 18728 10185 1 11 . 1 1 9 9 GLU CB C 9 29.572 29.572 29.214 0.358 18728 10186 1 11 . 1 1 9 9 GLU H H 9 8.313 8.313 7.956 0.357 18728 10187 1 11 . 1 1 10 10 PRO HA H 10 4.335 4.335 4.376 -0.041 18728 10188 1 11 . 1 1 10 10 PRO C C 10 177.491 177.491 177.600 -0.109 18728 10189 1 11 . 1 1 10 10 PRO CA C 10 63.587 63.587 62.661 0.926 18728 10190 1 11 . 1 1 10 10 PRO CB C 10 32.374 32.374 32.839 -0.465 18728 10191 1 11 . 1 1 11 11 GLU N N 11 123.071 123.071 119.676 3.395 18728 10192 1 11 . 1 1 11 11 GLU HA H 11 3.686 3.686 3.882 -0.196 18728 10193 1 11 . 1 1 11 11 GLU C C 11 177.984 177.984 177.870 0.114 18728 10194 1 11 . 1 1 11 11 GLU CA C 11 59.651 59.651 59.334 0.317 18728 10195 1 11 . 1 1 11 11 GLU CB C 11 29.819 29.819 29.084 0.735 18728 10196 1 11 . 1 1 11 11 GLU H H 11 8.692 8.692 8.790 -0.098 18728 10197 1 11 . 1 1 12 12 GLN N N 12 116.079 116.079 116.093 -0.014 18728 10198 1 11 . 1 1 12 12 GLN HA H 12 3.979 3.979 4.194 -0.215 18728 10199 1 11 . 1 1 12 12 GLN C C 12 177.579 177.579 177.688 -0.109 18728 10200 1 11 . 1 1 12 12 GLN CA C 12 58.526 58.526 58.176 0.350 18728 10201 1 11 . 1 1 12 12 GLN CB C 12 28.112 28.112 28.248 -0.136 18728 10202 1 11 . 1 1 12 12 GLN H H 12 8.647 8.647 8.362 0.285 18728 10203 1 11 . 1 1 13 13 LEU N N 13 116.530 116.530 119.518 -2.988 18728 10204 1 11 . 1 1 13 13 LEU HA H 13 4.264 4.264 4.376 -0.112 18728 10205 1 11 . 1 1 13 13 LEU C C 13 177.080 177.080 176.541 0.539 18728 10206 1 11 . 1 1 13 13 LEU CA C 13 55.945 55.945 56.485 -0.540 18728 10207 1 11 . 1 1 13 13 LEU CB C 13 42.317 42.317 42.617 -0.300 18728 10208 1 11 . 1 1 13 13 LEU H H 13 7.471 7.471 7.665 -0.194 18728 10209 1 11 . 1 1 14 14 ARG N N 14 116.981 116.981 112.178 4.803 18728 10210 1 11 . 1 1 14 14 ARG HA H 14 4.417 4.417 4.542 -0.125 18728 10211 1 11 . 1 1 14 14 ARG C C 14 172.996 172.996 175.276 -2.280 18728 10212 1 11 . 1 1 14 14 ARG CA C 14 56.067 56.067 55.206 0.861 18728 10213 1 11 . 1 1 14 14 ARG CB C 14 29.944 29.944 30.651 -0.708 18728 10214 1 11 . 1 1 14 14 ARG H H 14 7.576 7.576 7.300 0.276 18728 10215 1 11 . 1 1 15 15 LYS N N 15 119.990 119.990 121.997 -2.007 18728 10216 1 11 . 1 1 15 15 LYS HA H 15 5.198 5.198 5.116 0.082 18728 10217 1 11 . 1 1 15 15 LYS CA C 15 55.301 55.301 55.220 0.081 18728 10218 1 11 . 1 1 15 15 LYS CB C 15 35.888 35.888 35.466 0.422 18728 10219 1 11 . 1 1 15 15 LYS H H 15 6.946 6.946 7.472 -0.526 18728 10220 1 11 . 1 1 16 16 LEU N N 16 126.081 126.081 123.123 2.958 18728 10221 1 11 . 1 1 16 16 LEU HA H 16 5.016 5.016 5.288 -0.272 18728 10222 1 11 . 1 1 16 16 LEU C C 16 176.309 176.309 175.620 0.689 18728 10223 1 11 . 1 1 16 16 LEU CA C 16 53.334 53.334 53.078 0.256 18728 10224 1 11 . 1 1 16 16 LEU CB C 16 45.062 45.062 45.456 -0.394 18728 10225 1 11 . 1 1 16 16 LEU H H 16 9.605 9.605 9.026 0.579 18728 10226 1 11 . 1 1 17 17 PHE N N 17 123.569 123.569 125.086 -1.517 18728 10227 1 11 . 1 1 17 17 PHE HA H 17 4.585 4.585 5.165 -0.580 18728 10228 1 11 . 1 1 17 17 PHE C C 17 174.362 174.362 173.962 0.400 18728 10229 1 11 . 1 1 17 17 PHE CA C 17 57.153 57.153 55.972 1.181 18728 10230 1 11 . 1 1 17 17 PHE CB C 17 40.603 40.603 41.101 -0.498 18728 10231 1 11 . 1 1 17 17 PHE H H 17 9.023 9.023 9.361 -0.338 18728 10232 1 11 . 1 1 18 18 ILE N N 18 126.932 126.932 128.172 -1.240 18728 10233 1 11 . 1 1 18 18 ILE HA H 18 4.029 4.029 4.251 -0.222 18728 10234 1 11 . 1 1 18 18 ILE C C 18 173.832 173.832 174.825 -0.993 18728 10235 1 11 . 1 1 18 18 ILE CA C 18 59.156 59.156 57.907 1.249 18728 10236 1 11 . 1 1 18 18 ILE CB C 18 36.909 36.909 36.748 0.161 18728 10237 1 11 . 1 1 18 18 ILE H H 18 8.486 8.486 8.606 -0.120 18728 10238 1 11 . 1 1 19 19 GLY N N 19 112.953 112.953 112.588 0.365 18728 10239 1 11 . 1 1 19 19 GLY C C 19 174.426 174.426 173.779 0.647 18728 10240 1 11 . 1 1 19 19 GLY CA C 19 43.611 43.611 43.064 0.547 18728 10241 1 11 . 1 1 19 19 GLY H H 19 7.948 7.948 8.656 -0.708 18728 10242 1 11 . 1 1 20 20 GLY N N 20 107.584 107.584 110.643 -3.059 18728 10243 1 11 . 1 1 20 20 GLY C C 20 175.563 175.563 174.332 1.231 18728 10244 1 11 . 1 1 20 20 GLY CA C 20 46.530 46.530 45.097 1.433 18728 10245 1 11 . 1 1 20 20 GLY H H 20 8.542 8.542 8.067 0.475 18728 10246 1 11 . 1 1 21 21 LEU N N 21 115.232 115.232 119.931 -4.699 18728 10247 1 11 . 1 1 21 21 LEU HA H 21 4.025 4.025 4.192 -0.167 18728 10248 1 11 . 1 1 21 21 LEU C C 21 179.121 179.121 176.444 2.677 18728 10249 1 11 . 1 1 21 21 LEU CA C 21 54.192 54.192 54.188 0.004 18728 10250 1 11 . 1 1 21 21 LEU CB C 21 42.892 42.892 42.865 0.027 18728 10251 1 11 . 1 1 21 21 LEU H H 21 7.472 7.472 7.881 -0.409 18728 10252 1 11 . 1 1 22 22 SER N N 22 114.737 114.737 113.655 1.082 18728 10253 1 11 . 1 1 22 22 SER HA H 22 4.125 4.125 4.498 -0.373 18728 10254 1 11 . 1 1 22 22 SER C C 22 177.842 177.842 175.507 2.335 18728 10255 1 11 . 1 1 22 22 SER CA C 22 57.635 57.635 57.354 0.281 18728 10256 1 11 . 1 1 22 22 SER CB C 22 63.106 63.106 65.180 -2.074 18728 10257 1 11 . 1 1 22 22 SER H H 22 9.136 9.136 8.060 1.076 18728 10258 1 11 . 1 1 23 23 PHE N N 23 128.194 128.194 118.318 9.876 18728 10259 1 11 . 1 1 23 23 PHE HA H 23 4.307 4.307 4.511 -0.204 18728 10260 1 11 . 1 1 23 23 PHE C C 23 175.626 175.626 175.974 -0.348 18728 10261 1 11 . 1 1 23 23 PHE CA C 23 60.205 60.205 59.642 0.562 18728 10262 1 11 . 1 1 23 23 PHE CB C 23 37.570 37.570 38.626 -1.056 18728 10263 1 11 . 1 1 23 23 PHE H H 23 9.034 9.034 9.010 0.024 18728 10264 1 11 . 1 1 24 24 GLU N N 24 116.093 116.093 117.455 -1.362 18728 10265 1 11 . 1 1 24 24 GLU HA H 24 4.255 4.255 4.522 -0.267 18728 10266 1 11 . 1 1 24 24 GLU C C 24 177.429 177.429 176.070 1.359 18728 10267 1 11 . 1 1 24 24 GLU CA C 24 56.522 56.522 55.231 1.291 18728 10268 1 11 . 1 1 24 24 GLU CB C 24 29.980 29.980 30.635 -0.655 18728 10269 1 11 . 1 1 24 24 GLU H H 24 8.295 8.295 7.626 0.669 18728 10270 1 11 . 1 1 25 25 THR N N 25 118.836 118.836 119.041 -0.205 18728 10271 1 11 . 1 1 25 25 THR HA H 25 4.091 4.091 4.268 -0.177 18728 10272 1 11 . 1 1 25 25 THR C C 25 174.238 174.238 174.515 -0.277 18728 10273 1 11 . 1 1 25 25 THR CA C 25 64.862 64.862 63.770 1.092 18728 10274 1 11 . 1 1 25 25 THR CB C 25 68.584 68.584 68.950 -0.366 18728 10275 1 11 . 1 1 25 25 THR H H 25 7.280 7.280 7.317 -0.037 18728 10276 1 11 . 1 1 26 26 THR N N 26 119.434 119.434 116.915 2.519 18728 10277 1 11 . 1 1 26 26 THR HA H 26 4.484 4.484 4.622 -0.138 18728 10278 1 11 . 1 1 26 26 THR C C 26 174.563 174.563 175.187 -0.624 18728 10279 1 11 . 1 1 26 26 THR CA C 26 59.361 59.361 59.437 -0.076 18728 10280 1 11 . 1 1 26 26 THR CB C 26 72.727 72.727 71.310 1.417 18728 10281 1 11 . 1 1 26 26 THR H H 26 8.447 8.447 8.269 0.178 18728 10282 1 11 . 1 1 27 27 ASP N N 27 120.342 120.342 122.717 -2.375 18728 10283 1 11 . 1 1 27 27 ASP HA H 27 3.920 3.920 4.321 -0.401 18728 10284 1 11 . 1 1 27 27 ASP C C 27 178.347 178.347 177.382 0.965 18728 10285 1 11 . 1 1 27 27 ASP CA C 27 58.148 58.148 57.230 0.918 18728 10286 1 11 . 1 1 27 27 ASP CB C 27 39.954 39.954 40.699 -0.745 18728 10287 1 11 . 1 1 27 27 ASP H H 27 8.794 8.794 8.902 -0.108 18728 10288 1 11 . 1 1 28 28 GLU N N 28 116.494 116.494 119.030 -2.536 18728 10289 1 11 . 1 1 28 28 GLU HA H 28 3.993 3.993 4.203 -0.210 18728 10290 1 11 . 1 1 28 28 GLU C C 28 178.987 178.987 179.008 -0.021 18728 10291 1 11 . 1 1 28 28 GLU CA C 28 60.281 60.281 58.820 1.461 18728 10292 1 11 . 1 1 28 28 GLU CB C 28 29.193 29.193 28.610 0.583 18728 10293 1 11 . 1 1 28 28 GLU H H 28 8.444 8.444 8.740 -0.296 18728 10294 1 11 . 1 1 29 29 SER N N 29 120.532 120.532 115.539 4.993 18728 10295 1 11 . 1 1 29 29 SER HA H 29 4.333 4.333 4.370 -0.037 18728 10296 1 11 . 1 1 29 29 SER C C 29 178.125 178.125 176.382 1.743 18728 10297 1 11 . 1 1 29 29 SER CA C 29 61.720 61.720 60.642 1.078 18728 10298 1 11 . 1 1 29 29 SER H H 29 8.384 8.384 7.317 1.067 18728 10299 1 11 . 1 1 30 30 LEU N N 30 126.754 126.754 123.862 2.892 18728 10300 1 11 . 1 1 30 30 LEU HA H 30 4.080 4.080 4.151 -0.071 18728 10301 1 11 . 1 1 30 30 LEU C C 30 178.341 178.341 177.801 0.540 18728 10302 1 11 . 1 1 30 30 LEU CA C 30 58.073 58.073 58.021 0.052 18728 10303 1 11 . 1 1 30 30 LEU CB C 30 42.524 42.524 41.716 0.808 18728 10304 1 11 . 1 1 30 30 LEU H H 30 8.487 8.487 8.331 0.156 18728 10305 1 11 . 1 1 31 31 ARG N N 31 121.192 121.192 118.938 2.254 18728 10306 1 11 . 1 1 31 31 ARG HA H 31 3.863 3.863 3.861 0.002 18728 10307 1 11 . 1 1 31 31 ARG C C 31 177.765 177.765 178.210 -0.445 18728 10308 1 11 . 1 1 31 31 ARG CA C 31 59.706 59.706 60.393 -0.687 18728 10309 1 11 . 1 1 31 31 ARG CB C 31 30.648 30.648 30.040 0.608 18728 10310 1 11 . 1 1 31 31 ARG H H 31 7.980 7.980 8.563 -0.583 18728 10311 1 11 . 1 1 32 32 SER N N 32 112.868 112.868 112.726 0.142 18728 10312 1 11 . 1 1 32 32 SER HA H 32 4.104 4.104 4.176 -0.072 18728 10313 1 11 . 1 1 32 32 SER C C 32 176.416 176.416 176.300 0.116 18728 10314 1 11 . 1 1 32 32 SER CA C 32 61.437 61.437 61.453 -0.016 18728 10315 1 11 . 1 1 32 32 SER CB C 32 62.933 62.933 63.026 -0.093 18728 10316 1 11 . 1 1 32 32 SER H H 32 8.295 8.295 7.963 0.332 18728 10317 1 11 . 1 1 33 33 HIS N N 33 115.910 115.910 121.571 -5.661 18728 10318 1 11 . 1 1 33 33 HIS HA H 33 4.346 4.346 4.304 0.042 18728 10319 1 11 . 1 1 33 33 HIS C C 33 177.510 177.510 177.676 -0.166 18728 10320 1 11 . 1 1 33 33 HIS CA C 33 60.373 60.373 59.867 0.506 18728 10321 1 11 . 1 1 33 33 HIS CB C 33 30.776 30.776 29.974 0.802 18728 10322 1 11 . 1 1 33 33 HIS H H 33 7.406 7.406 7.916 -0.510 18728 10323 1 11 . 1 1 34 34 PHE N N 34 113.562 113.562 118.867 -5.305 18728 10324 1 11 . 1 1 34 34 PHE HA H 34 4.526 4.526 4.883 -0.357 18728 10325 1 11 . 1 1 34 34 PHE C C 34 179.061 179.061 178.496 0.565 18728 10326 1 11 . 1 1 34 34 PHE CA C 34 64.104 64.104 61.998 2.106 18728 10327 1 11 . 1 1 34 34 PHE CB C 34 38.379 38.379 39.148 -0.769 18728 10328 1 11 . 1 1 34 34 PHE H H 34 8.227 8.227 8.612 -0.385 18728 10329 1 11 . 1 1 35 35 GLU N N 35 124.490 124.490 120.691 3.799 18728 10330 1 11 . 1 1 35 35 GLU HA H 35 4.962 4.962 4.420 0.542 18728 10331 1 11 . 1 1 35 35 GLU C C 35 176.476 176.476 177.754 -1.278 18728 10332 1 11 . 1 1 35 35 GLU CA C 35 57.950 57.950 58.415 -0.465 18728 10333 1 11 . 1 1 35 35 GLU CB C 35 28.690 28.690 29.328 -0.638 18728 10334 1 11 . 1 1 35 35 GLU H H 35 9.219 9.219 8.695 0.524 18728 10335 1 11 . 1 1 36 36 GLN N N 36 116.596 116.596 117.452 -0.856 18728 10336 1 11 . 1 1 36 36 GLN HA H 36 3.706 3.706 3.939 -0.233 18728 10337 1 11 . 1 1 36 36 GLN C C 36 176.486 176.486 177.388 -0.902 18728 10338 1 11 . 1 1 36 36 GLN CA C 36 58.206 58.206 57.752 0.454 18728 10339 1 11 . 1 1 36 36 GLN CB C 36 27.731 27.731 28.182 -0.451 18728 10340 1 11 . 1 1 36 36 GLN H H 36 7.011 7.011 7.531 -0.520 18728 10341 1 11 . 1 1 37 37 TRP N N 37 114.690 114.690 117.076 -2.386 18728 10342 1 11 . 1 1 37 37 TRP HA H 37 4.481 4.481 4.859 -0.378 18728 10343 1 11 . 1 1 37 37 TRP C C 37 173.662 173.662 176.412 -2.750 18728 10344 1 11 . 1 1 37 37 TRP CA C 37 61.557 61.557 58.418 3.139 18728 10345 1 11 . 1 1 37 37 TRP CB C 37 29.074 29.074 31.199 -2.125 18728 10346 1 11 . 1 1 37 37 TRP H H 37 7.017 7.017 7.871 -0.854 18728 10347 1 11 . 1 1 38 38 GLY N N 38 105.060 105.060 104.274 0.786 18728 10348 1 11 . 1 1 38 38 GLY C C 38 171.596 171.596 172.431 -0.835 18728 10349 1 11 . 1 1 38 38 GLY CA C 38 45.545 45.545 44.929 0.616 18728 10350 1 11 . 1 1 38 38 GLY H H 38 7.294 7.294 7.646 -0.352 18728 10351 1 11 . 1 1 39 39 THR N N 39 117.179 117.179 118.314 -1.135 18728 10352 1 11 . 1 1 39 39 THR HA H 39 4.231 4.231 4.239 -0.008 18728 10353 1 11 . 1 1 39 39 THR C C 39 173.760 173.760 174.163 -0.403 18728 10354 1 11 . 1 1 39 39 THR CA C 39 62.904 62.904 64.462 -1.558 18728 10355 1 11 . 1 1 39 39 THR CB C 39 69.813 69.813 68.839 0.974 18728 10356 1 11 . 1 1 39 39 THR H H 39 8.770 8.770 8.501 0.269 18728 10357 1 11 . 1 1 40 40 LEU N N 40 126.702 126.702 128.179 -1.477 18728 10358 1 11 . 1 1 40 40 LEU HA H 40 4.943 4.943 4.514 0.429 18728 10359 1 11 . 1 1 40 40 LEU C C 40 178.358 178.358 177.838 0.520 18728 10360 1 11 . 1 1 40 40 LEU CA C 40 52.969 52.969 54.551 -1.582 18728 10361 1 11 . 1 1 40 40 LEU CB C 40 41.893 41.893 42.537 -0.644 18728 10362 1 11 . 1 1 40 40 LEU H H 40 8.831 8.831 8.499 0.332 18728 10363 1 11 . 1 1 41 41 THR N N 41 117.175 117.175 114.263 2.912 18728 10364 1 11 . 1 1 41 41 THR HA H 41 4.197 4.197 4.390 -0.193 18728 10365 1 11 . 1 1 41 41 THR C C 41 175.050 175.050 174.717 0.333 18728 10366 1 11 . 1 1 41 41 THR CA C 41 62.668 62.668 62.487 0.181 18728 10367 1 11 . 1 1 41 41 THR CB C 41 67.618 67.618 70.478 -2.860 18728 10368 1 11 . 1 1 41 41 THR H H 41 8.926 8.926 8.883 0.043 18728 10369 1 11 . 1 1 42 42 ASP N N 42 118.764 118.764 120.232 -1.468 18728 10370 1 11 . 1 1 42 42 ASP HA H 42 4.620 4.620 4.827 -0.207 18728 10371 1 11 . 1 1 42 42 ASP C C 42 174.637 174.637 173.825 0.812 18728 10372 1 11 . 1 1 42 42 ASP CA C 42 54.235 54.235 53.955 0.280 18728 10373 1 11 . 1 1 42 42 ASP CB C 42 44.253 44.253 43.893 0.360 18728 10374 1 11 . 1 1 42 42 ASP H H 42 7.513 7.513 7.723 -0.210 18728 10375 1 11 . 1 1 43 43 CYS N N 43 123.632 123.632 123.166 0.466 18728 10376 1 11 . 1 1 43 43 CYS HA H 43 4.842 4.842 5.461 -0.619 18728 10377 1 11 . 1 1 43 43 CYS C C 43 171.885 171.885 172.294 -0.409 18728 10378 1 11 . 1 1 43 43 CYS CA C 43 59.376 59.376 57.883 1.492 18728 10379 1 11 . 1 1 43 43 CYS CB C 43 26.377 26.377 30.274 -3.897 18728 10380 1 11 . 1 1 43 43 CYS H H 43 8.436 8.436 8.656 -0.220 18728 10381 1 11 . 1 1 44 44 VAL N N 44 126.787 126.787 126.591 0.196 18728 10382 1 11 . 1 1 44 44 VAL HA H 44 4.576 4.576 4.550 0.026 18728 10383 1 11 . 1 1 44 44 VAL C C 44 173.371 173.371 173.487 -0.116 18728 10384 1 11 . 1 1 44 44 VAL CA C 44 60.151 60.151 60.575 -0.424 18728 10385 1 11 . 1 1 44 44 VAL CB C 44 36.424 36.424 35.999 0.425 18728 10386 1 11 . 1 1 44 44 VAL H H 44 8.737 8.737 8.827 -0.090 18728 10387 1 11 . 1 1 45 45 VAL N N 45 125.522 125.522 127.213 -1.691 18728 10388 1 11 . 1 1 45 45 VAL HA H 45 3.711 3.711 4.063 -0.352 18728 10389 1 11 . 1 1 45 45 VAL C C 45 176.674 176.674 174.556 2.118 18728 10390 1 11 . 1 1 45 45 VAL CA C 45 62.509 62.509 61.508 1.001 18728 10391 1 11 . 1 1 45 45 VAL CB C 45 33.175 33.175 33.215 -0.040 18728 10392 1 11 . 1 1 45 45 VAL H H 45 8.269 8.269 8.424 -0.155 18728 10393 1 11 . 1 1 46 46 MET N N 46 126.833 126.833 127.048 -0.215 18728 10394 1 11 . 1 1 46 46 MET HA H 46 4.441 4.441 4.368 0.073 18728 10395 1 11 . 1 1 46 46 MET C C 46 175.413 175.413 175.135 0.278 18728 10396 1 11 . 1 1 46 46 MET CA C 46 54.852 54.852 55.576 -0.724 18728 10397 1 11 . 1 1 46 46 MET CB C 46 30.454 30.454 32.179 -1.725 18728 10398 1 11 . 1 1 46 46 MET H H 46 8.445 8.445 8.347 0.098 18728 10399 1 11 . 1 1 47 47 ARG N N 47 120.697 120.697 121.924 -1.227 18728 10400 1 11 . 1 1 47 47 ARG HA H 47 4.838 4.838 4.999 -0.161 18728 10401 1 11 . 1 1 47 47 ARG CA C 47 54.308 54.308 54.397 -0.089 18728 10402 1 11 . 1 1 47 47 ARG CB C 47 34.048 34.048 34.171 -0.123 18728 10403 1 11 . 1 1 47 47 ARG H H 47 8.308 8.308 8.359 -0.051 18728 10404 1 11 . 1 1 48 48 ASP N N 48 125.146 125.146 122.669 2.477 18728 10405 1 11 . 1 1 48 48 ASP HA H 48 4.686 4.686 4.884 -0.198 18728 10406 1 11 . 1 1 48 48 ASP C C 48 176.046 176.046 176.071 -0.025 18728 10407 1 11 . 1 1 48 48 ASP CA C 48 52.106 52.106 52.249 -0.143 18728 10408 1 11 . 1 1 48 48 ASP CB C 48 42.878 42.878 42.179 0.699 18728 10409 1 11 . 1 1 48 48 ASP H H 48 8.577 8.577 8.595 -0.018 18728 10410 1 11 . 1 1 49 49 PRO HA H 49 4.310 4.310 4.295 0.015 18728 10411 1 11 . 1 1 49 49 PRO C C 49 177.166 177.166 177.926 -0.760 18728 10412 1 11 . 1 1 49 49 PRO CA C 49 64.584 64.584 64.860 -0.276 18728 10413 1 11 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.189 -0.053 18728 10414 1 11 . 1 1 50 50 ASN N N 50 115.474 115.474 117.463 -1.989 18728 10415 1 11 . 1 1 50 50 ASN HA H 50 4.723 4.723 4.671 0.052 18728 10416 1 11 . 1 1 50 50 ASN C C 50 176.642 176.642 177.105 -0.463 18728 10417 1 11 . 1 1 50 50 ASN CA C 50 55.444 55.444 55.584 -0.140 18728 10418 1 11 . 1 1 50 50 ASN CB C 50 39.455 39.455 39.540 -0.085 18728 10419 1 11 . 1 1 50 50 ASN H H 50 8.560 8.560 8.231 0.329 18728 10420 1 11 . 1 1 51 51 THR N N 51 108.788 108.788 112.783 -3.995 18728 10421 1 11 . 1 1 51 51 THR HA H 51 4.264 4.264 4.439 -0.175 18728 10422 1 11 . 1 1 51 51 THR C C 51 176.018 176.018 174.274 1.744 18728 10423 1 11 . 1 1 51 51 THR CA C 51 62.063 62.063 62.904 -0.841 18728 10424 1 11 . 1 1 51 51 THR CB C 51 70.768 70.768 69.884 0.884 18728 10425 1 11 . 1 1 51 51 THR H H 51 8.277 8.277 8.622 -0.345 18728 10426 1 11 . 1 1 52 52 LYS N N 52 114.615 114.615 116.900 -2.285 18728 10427 1 11 . 1 1 52 52 LYS HA H 52 3.917 3.917 4.204 -0.287 18728 10428 1 11 . 1 1 52 52 LYS C C 52 175.376 175.376 175.362 0.014 18728 10429 1 11 . 1 1 52 52 LYS CA C 52 57.902 57.902 57.205 0.697 18728 10430 1 11 . 1 1 52 52 LYS CB C 52 29.293 29.293 30.533 -1.240 18728 10431 1 11 . 1 1 52 52 LYS H H 52 8.091 8.091 7.913 0.178 18728 10432 1 11 . 1 1 53 53 ARG N N 53 120.395 120.395 116.940 3.455 18728 10433 1 11 . 1 1 53 53 ARG HA H 53 4.169 4.169 4.538 -0.369 18728 10434 1 11 . 1 1 53 53 ARG C C 53 176.619 176.619 175.600 1.019 18728 10435 1 11 . 1 1 53 53 ARG CA C 53 56.233 56.233 53.604 2.629 18728 10436 1 11 . 1 1 53 53 ARG CB C 53 31.045 31.045 31.417 -0.372 18728 10437 1 11 . 1 1 53 53 ARG H H 53 7.847 7.847 7.637 0.210 18728 10438 1 11 . 1 1 54 54 SER N N 54 116.987 116.987 115.751 1.236 18728 10439 1 11 . 1 1 54 54 SER HA H 54 4.186 4.186 4.566 -0.381 18728 10440 1 11 . 1 1 54 54 SER C C 54 175.755 175.755 175.395 0.360 18728 10441 1 11 . 1 1 54 54 SER CA C 54 58.559 58.559 58.098 0.461 18728 10442 1 11 . 1 1 54 54 SER CB C 54 63.922 63.922 63.662 0.260 18728 10443 1 11 . 1 1 54 54 SER H H 54 8.810 8.810 8.134 0.676 18728 10444 1 11 . 1 1 55 55 ARG N N 55 123.427 123.427 126.626 -3.199 18728 10445 1 11 . 1 1 55 55 ARG HA H 55 4.403 4.403 4.437 -0.034 18728 10446 1 11 . 1 1 55 55 ARG C C 55 177.962 177.962 176.759 1.203 18728 10447 1 11 . 1 1 55 55 ARG CA C 55 56.096 56.096 55.629 0.467 18728 10448 1 11 . 1 1 55 55 ARG CB C 55 31.294 31.294 30.376 0.918 18728 10449 1 11 . 1 1 55 55 ARG H H 55 8.976 8.976 8.628 0.348 18728 10450 1 11 . 1 1 56 56 GLY N N 56 107.308 107.308 106.899 0.409 18728 10451 1 11 . 1 1 56 56 GLY C C 56 171.856 171.856 173.254 -1.398 18728 10452 1 11 . 1 1 56 56 GLY CA C 56 45.669 45.669 45.137 0.532 18728 10453 1 11 . 1 1 56 56 GLY H H 56 9.375 9.375 7.987 1.388 18728 10454 1 11 . 1 1 57 57 PHE N N 57 112.537 112.537 114.523 -1.986 18728 10455 1 11 . 1 1 57 57 PHE HA H 57 5.201 5.201 5.325 -0.124 18728 10456 1 11 . 1 1 57 57 PHE C C 57 172.646 172.646 172.878 -0.232 18728 10457 1 11 . 1 1 57 57 PHE CA C 57 54.918 54.918 54.978 -0.061 18728 10458 1 11 . 1 1 57 57 PHE CB C 57 41.743 41.743 40.829 0.914 18728 10459 1 11 . 1 1 57 57 PHE H H 57 7.044 7.044 7.016 0.028 18728 10460 1 11 . 1 1 58 58 GLY N N 58 106.816 106.816 106.191 0.625 18728 10461 1 11 . 1 1 58 58 GLY C C 58 169.931 169.931 171.156 -1.225 18728 10462 1 11 . 1 1 58 58 GLY CA C 58 45.304 45.304 44.474 0.830 18728 10463 1 11 . 1 1 58 58 GLY H H 58 8.345 8.345 8.298 0.047 18728 10464 1 11 . 1 1 59 59 PHE N N 59 115.179 115.179 115.330 -0.151 18728 10465 1 11 . 1 1 59 59 PHE HA H 59 5.645 5.645 5.572 0.073 18728 10466 1 11 . 1 1 59 59 PHE C C 59 174.929 174.929 174.195 0.734 18728 10467 1 11 . 1 1 59 59 PHE CA C 59 56.541 56.541 56.331 0.210 18728 10468 1 11 . 1 1 59 59 PHE CB C 59 43.984 43.984 43.789 0.195 18728 10469 1 11 . 1 1 59 59 PHE H H 59 8.903 8.903 8.749 0.154 18728 10470 1 11 . 1 1 60 60 VAL N N 60 115.310 115.310 116.085 -0.775 18728 10471 1 11 . 1 1 60 60 VAL HA H 60 4.540 4.540 4.888 -0.348 18728 10472 1 11 . 1 1 60 60 VAL C C 60 173.246 173.246 174.917 -1.671 18728 10473 1 11 . 1 1 60 60 VAL CA C 60 59.421 59.421 60.120 -0.699 18728 10474 1 11 . 1 1 60 60 VAL CB C 60 34.678 34.678 34.151 0.527 18728 10475 1 11 . 1 1 60 60 VAL H H 60 8.569 8.569 8.976 -0.407 18728 10476 1 11 . 1 1 61 61 THR N N 61 120.158 120.158 122.907 -2.749 18728 10477 1 11 . 1 1 61 61 THR HA H 61 5.068 5.068 4.895 0.173 18728 10478 1 11 . 1 1 61 61 THR C C 61 173.985 173.985 173.814 0.171 18728 10479 1 11 . 1 1 61 61 THR CA C 61 61.033 61.033 61.532 -0.499 18728 10480 1 11 . 1 1 61 61 THR CB C 61 70.114 70.114 69.898 0.216 18728 10481 1 11 . 1 1 61 61 THR H H 61 8.180 8.180 8.944 -0.764 18728 10482 1 11 . 1 1 62 62 TYR N N 62 125.280 125.280 125.919 -0.639 18728 10483 1 11 . 1 1 62 62 TYR HA H 62 5.357 5.357 4.815 0.542 18728 10484 1 11 . 1 1 62 62 TYR C C 62 176.696 176.696 176.658 0.038 18728 10485 1 11 . 1 1 62 62 TYR CA C 62 58.297 58.297 58.454 -0.157 18728 10486 1 11 . 1 1 62 62 TYR CB C 62 42.217 42.217 40.273 1.944 18728 10487 1 11 . 1 1 62 62 TYR H H 62 8.407 8.407 9.055 -0.648 18728 10488 1 11 . 1 1 63 63 ALA N N 63 121.648 121.648 124.887 -3.239 18728 10489 1 11 . 1 1 63 63 ALA HA H 63 4.052 4.052 4.219 -0.167 18728 10490 1 11 . 1 1 63 63 ALA C C 63 178.252 178.252 177.044 1.208 18728 10491 1 11 . 1 1 63 63 ALA CA C 63 55.269 55.269 54.734 0.535 18728 10492 1 11 . 1 1 63 63 ALA CB C 63 19.068 19.068 19.207 -0.139 18728 10493 1 11 . 1 1 63 63 ALA H H 63 8.749 8.749 8.719 0.030 18728 10494 1 11 . 1 1 64 64 THR N N 64 105.238 105.238 110.598 -5.360 18728 10495 1 11 . 1 1 64 64 THR HA H 64 4.902 4.902 4.526 0.376 18728 10496 1 11 . 1 1 64 64 THR C C 64 174.667 174.667 174.439 0.228 18728 10497 1 11 . 1 1 64 64 THR CA C 64 59.184 59.184 60.956 -1.772 18728 10498 1 11 . 1 1 64 64 THR CB C 64 73.193 73.193 72.326 0.867 18728 10499 1 11 . 1 1 64 64 THR H H 64 7.992 7.992 7.414 0.578 18728 10500 1 11 . 1 1 65 65 VAL N N 65 120.939 120.939 123.357 -2.418 18728 10501 1 11 . 1 1 65 65 VAL HA H 65 3.670 3.670 3.787 -0.117 18728 10502 1 11 . 1 1 65 65 VAL C C 65 177.446 177.446 176.953 0.493 18728 10503 1 11 . 1 1 65 65 VAL CA C 65 65.535 65.535 65.176 0.359 18728 10504 1 11 . 1 1 65 65 VAL CB C 65 31.538 31.538 32.022 -0.483 18728 10505 1 11 . 1 1 65 65 VAL H H 65 8.968 8.968 8.548 0.420 18728 10506 1 11 . 1 1 66 66 GLU N N 66 120.818 120.818 118.966 1.852 18728 10507 1 11 . 1 1 66 66 GLU HA H 66 4.045 4.045 3.965 0.080 18728 10508 1 11 . 1 1 66 66 GLU C C 66 180.056 180.056 178.920 1.136 18728 10509 1 11 . 1 1 66 66 GLU CA C 66 60.430 60.430 60.070 0.360 18728 10510 1 11 . 1 1 66 66 GLU CB C 66 28.909 28.909 28.504 0.405 18728 10511 1 11 . 1 1 66 66 GLU H H 66 8.686 8.686 8.789 -0.103 18728 10512 1 11 . 1 1 67 67 GLU N N 67 120.729 120.729 118.701 2.028 18728 10513 1 11 . 1 1 67 67 GLU HA H 67 3.853 3.853 4.021 -0.168 18728 10514 1 11 . 1 1 67 67 GLU C C 67 177.040 177.040 178.602 -1.562 18728 10515 1 11 . 1 1 67 67 GLU CA C 67 59.391 59.391 59.314 0.077 18728 10516 1 11 . 1 1 67 67 GLU CB C 67 29.590 29.590 28.969 0.621 18728 10517 1 11 . 1 1 67 67 GLU H H 67 7.487 7.487 7.689 -0.202 18728 10518 1 11 . 1 1 68 68 VAL N N 68 118.408 118.408 119.281 -0.873 18728 10519 1 11 . 1 1 68 68 VAL HA H 68 3.165 3.165 3.150 0.015 18728 10520 1 11 . 1 1 68 68 VAL C C 68 178.293 178.293 177.351 0.942 18728 10521 1 11 . 1 1 68 68 VAL CA C 68 66.391 66.391 66.979 -0.588 18728 10522 1 11 . 1 1 68 68 VAL CB C 68 31.092 31.092 31.789 -0.697 18728 10523 1 11 . 1 1 68 68 VAL H H 68 6.882 6.882 7.122 -0.240 18728 10524 1 11 . 1 1 69 69 ASP N N 69 119.356 119.356 119.980 -0.624 18728 10525 1 11 . 1 1 69 69 ASP HA H 69 4.128 4.128 4.150 -0.022 18728 10526 1 11 . 1 1 69 69 ASP C C 69 178.765 178.765 178.019 0.746 18728 10527 1 11 . 1 1 69 69 ASP CA C 69 57.394 57.394 57.662 -0.268 18728 10528 1 11 . 1 1 69 69 ASP CB C 69 39.879 39.879 40.785 -0.906 18728 10529 1 11 . 1 1 69 69 ASP H H 69 8.109 8.109 7.708 0.401 18728 10530 1 11 . 1 1 70 70 ALA N N 70 123.031 123.031 120.483 2.548 18728 10531 1 11 . 1 1 70 70 ALA HA H 70 4.070 4.070 3.994 0.076 18728 10532 1 11 . 1 1 70 70 ALA C C 70 180.518 180.518 179.450 1.068 18728 10533 1 11 . 1 1 70 70 ALA CA C 70 55.209 55.209 55.159 0.050 18728 10534 1 11 . 1 1 70 70 ALA CB C 70 18.104 18.104 18.256 -0.152 18728 10535 1 11 . 1 1 70 70 ALA H H 70 7.736 7.736 8.157 -0.421 18728 10536 1 11 . 1 1 71 71 ALA N N 71 121.446 121.446 119.277 2.169 18728 10537 1 11 . 1 1 71 71 ALA HA H 71 3.034 3.034 3.802 -0.768 18728 10538 1 11 . 1 1 71 71 ALA C C 71 182.248 182.248 179.553 2.695 18728 10539 1 11 . 1 1 71 71 ALA CA C 71 55.251 55.251 54.577 0.674 18728 10540 1 11 . 1 1 71 71 ALA CB C 71 17.976 17.976 18.415 -0.439 18728 10541 1 11 . 1 1 71 71 ALA H H 71 8.101 8.101 7.489 0.612 18728 10542 1 11 . 1 1 72 72 MET N N 72 118.027 118.027 117.533 0.494 18728 10543 1 11 . 1 1 72 72 MET HA H 72 4.430 4.430 4.170 0.260 18728 10544 1 11 . 1 1 72 72 MET C C 72 179.409 179.409 178.375 1.034 18728 10545 1 11 . 1 1 72 72 MET CA C 72 56.379 56.379 58.442 -2.063 18728 10546 1 11 . 1 1 72 72 MET CB C 72 30.498 30.498 31.771 -1.273 18728 10547 1 11 . 1 1 72 72 MET H H 72 8.681 8.681 7.519 1.162 18728 10548 1 11 . 1 1 73 73 ASN N N 73 119.415 119.415 118.514 0.901 18728 10549 1 11 . 1 1 73 73 ASN HA H 73 4.627 4.627 4.558 0.069 18728 10550 1 11 . 1 1 73 73 ASN C C 73 175.014 175.014 177.248 -2.234 18728 10551 1 11 . 1 1 73 73 ASN CA C 73 54.323 54.323 56.004 -1.681 18728 10552 1 11 . 1 1 73 73 ASN CB C 73 38.468 38.468 38.306 0.162 18728 10553 1 11 . 1 1 73 73 ASN H H 73 8.096 8.096 8.346 -0.250 18728 10554 1 11 . 1 1 74 74 ALA N N 74 122.253 122.253 122.124 0.129 18728 10555 1 11 . 1 1 74 74 ALA HA H 74 4.299 4.299 4.079 0.220 18728 10556 1 11 . 1 1 74 74 ALA C C 74 175.305 175.305 176.994 -1.689 18728 10557 1 11 . 1 1 74 74 ALA CA C 74 51.273 51.273 52.230 -0.957 18728 10558 1 11 . 1 1 74 74 ALA CB C 74 18.922 18.922 18.634 0.289 18728 10559 1 11 . 1 1 74 74 ALA H H 74 6.966 6.966 7.378 -0.412 18728 10560 1 11 . 1 1 75 75 ARG N N 75 116.833 116.833 119.727 -2.894 18728 10561 1 11 . 1 1 75 75 ARG HA H 75 3.608 3.608 4.206 -0.598 18728 10562 1 11 . 1 1 75 75 ARG CA C 75 55.086 55.086 55.419 -0.333 18728 10563 1 11 . 1 1 75 75 ARG CB C 75 30.199 30.199 30.012 0.187 18728 10564 1 11 . 1 1 75 75 ARG H H 75 6.749 6.749 7.166 -0.417 18728 10565 1 11 . 1 1 76 76 PRO HA H 76 4.434 4.434 4.505 -0.071 18728 10566 1 11 . 1 1 76 76 PRO C C 76 175.590 175.590 175.662 -0.072 18728 10567 1 11 . 1 1 76 76 PRO CA C 76 61.614 61.614 62.483 -0.869 18728 10568 1 11 . 1 1 76 76 PRO CB C 76 34.982 34.982 32.944 2.038 18728 10569 1 11 . 1 1 77 77 HIS N N 77 122.039 122.039 118.429 3.610 18728 10570 1 11 . 1 1 77 77 HIS HA H 77 4.559 4.559 4.930 -0.371 18728 10571 1 11 . 1 1 77 77 HIS C C 77 173.137 173.137 174.396 -1.259 18728 10572 1 11 . 1 1 77 77 HIS CA C 77 56.231 56.231 55.593 0.638 18728 10573 1 11 . 1 1 77 77 HIS CB C 77 32.909 32.909 33.896 -0.987 18728 10574 1 11 . 1 1 77 77 HIS H H 77 9.384 9.384 8.266 1.118 18728 10575 1 11 . 1 1 78 78 LYS N N 78 125.607 125.607 123.276 2.331 18728 10576 1 11 . 1 1 78 78 LYS HA H 78 4.939 4.939 5.199 -0.260 18728 10577 1 11 . 1 1 78 78 LYS C C 78 174.858 174.858 174.858 0.000 18728 10578 1 11 . 1 1 78 78 LYS CA C 78 54.755 54.755 55.496 -0.741 18728 10579 1 11 . 1 1 78 78 LYS CB C 78 33.475 33.475 34.571 -1.096 18728 10580 1 11 . 1 1 78 78 LYS H H 78 8.485 8.485 8.673 -0.188 18728 10581 1 11 . 1 1 79 79 VAL N N 79 124.596 124.596 125.767 -1.171 18728 10582 1 11 . 1 1 79 79 VAL HA H 79 3.955 3.955 4.031 -0.076 18728 10583 1 11 . 1 1 79 79 VAL C C 79 176.295 176.295 175.455 0.840 18728 10584 1 11 . 1 1 79 79 VAL CA C 79 60.737 60.737 61.399 -0.662 18728 10585 1 11 . 1 1 79 79 VAL CB C 79 33.249 33.249 33.119 0.130 18728 10586 1 11 . 1 1 79 79 VAL H H 79 8.581 8.581 8.230 0.351 18728 10587 1 11 . 1 1 80 80 ASP N N 80 128.668 128.668 126.177 2.491 18728 10588 1 11 . 1 1 80 80 ASP HA H 80 4.228 4.228 4.321 -0.093 18728 10589 1 11 . 1 1 80 80 ASP C C 80 175.744 175.744 176.277 -0.533 18728 10590 1 11 . 1 1 80 80 ASP CA C 80 55.882 55.882 54.966 0.916 18728 10591 1 11 . 1 1 80 80 ASP CB C 80 39.692 39.692 40.325 -0.632 18728 10592 1 11 . 1 1 80 80 ASP H H 80 9.553 9.553 9.228 0.325 18728 10593 1 11 . 1 1 81 81 GLY N N 81 101.527 101.527 103.772 -2.245 18728 10594 1 11 . 1 1 81 81 GLY C C 81 173.560 173.560 173.756 -0.196 18728 10595 1 11 . 1 1 81 81 GLY CA C 81 45.445 45.445 45.514 -0.069 18728 10596 1 11 . 1 1 81 81 GLY H H 81 8.488 8.488 8.560 -0.072 18728 10597 1 11 . 1 1 82 82 ARG N N 82 120.493 120.493 119.613 0.880 18728 10598 1 11 . 1 1 82 82 ARG HA H 82 4.640 4.640 4.641 -0.001 18728 10599 1 11 . 1 1 82 82 ARG C C 82 174.512 174.512 174.515 -0.003 18728 10600 1 11 . 1 1 82 82 ARG CA C 82 53.161 53.161 54.571 -1.409 18728 10601 1 11 . 1 1 82 82 ARG CB C 82 32.507 32.507 33.522 -1.015 18728 10602 1 11 . 1 1 82 82 ARG H H 82 7.555 7.555 7.448 0.107 18728 10603 1 11 . 1 1 83 83 VAL N N 83 124.855 124.855 126.131 -1.276 18728 10604 1 11 . 1 1 83 83 VAL HA H 83 4.501 4.501 4.368 0.133 18728 10605 1 11 . 1 1 83 83 VAL C C 83 176.701 176.701 175.354 1.347 18728 10606 1 11 . 1 1 83 83 VAL CA C 83 63.290 63.290 62.964 0.326 18728 10607 1 11 . 1 1 83 83 VAL CB C 83 30.867 30.867 31.832 -0.965 18728 10608 1 11 . 1 1 83 83 VAL H H 83 8.633 8.633 8.561 0.072 18728 10609 1 11 . 1 1 84 84 VAL N N 84 122.944 122.944 124.499 -1.555 18728 10610 1 11 . 1 1 84 84 VAL HA H 84 4.667 4.667 5.020 -0.353 18728 10611 1 11 . 1 1 84 84 VAL C C 84 174.969 174.969 174.452 0.517 18728 10612 1 11 . 1 1 84 84 VAL CA C 84 59.499 59.499 59.102 0.397 18728 10613 1 11 . 1 1 84 84 VAL CB C 84 32.761 32.761 34.483 -1.722 18728 10614 1 11 . 1 1 84 84 VAL H H 84 8.391 8.391 8.611 -0.220 18728 10615 1 11 . 1 1 85 85 GLU N N 85 120.907 120.907 124.619 -3.712 18728 10616 1 11 . 1 1 85 85 GLU HA H 85 5.087 5.087 4.940 0.147 18728 10617 1 11 . 1 1 85 85 GLU CA C 85 52.949 52.949 52.410 0.539 18728 10618 1 11 . 1 1 85 85 GLU CB C 85 31.367 31.367 32.275 -0.908 18728 10619 1 11 . 1 1 85 85 GLU H H 85 8.681 8.681 9.051 -0.370 18728 10620 1 11 . 1 1 86 86 PRO HA H 86 5.383 5.383 4.913 0.470 18728 10621 1 11 . 1 1 86 86 PRO C C 86 175.908 175.908 175.880 0.028 18728 10622 1 11 . 1 1 86 86 PRO CA C 86 61.444 61.444 62.508 -1.064 18728 10623 1 11 . 1 1 86 86 PRO CB C 86 32.657 32.657 32.233 0.423 18728 10624 1 11 . 1 1 87 87 LYS N N 87 121.252 121.252 122.191 -0.939 18728 10625 1 11 . 1 1 87 87 LYS HA H 87 4.688 4.688 5.081 -0.393 18728 10626 1 11 . 1 1 87 87 LYS C C 87 175.676 175.676 175.661 0.015 18728 10627 1 11 . 1 1 87 87 LYS CA C 87 55.101 55.101 54.467 0.634 18728 10628 1 11 . 1 1 87 87 LYS CB C 87 36.608 36.608 36.612 -0.004 18728 10629 1 11 . 1 1 87 87 LYS H H 87 9.397 9.397 8.857 0.540 18728 10630 1 11 . 1 1 88 88 ARG N N 88 123.272 123.272 120.745 2.527 18728 10631 1 11 . 1 1 88 88 ARG HA H 88 4.375 4.375 4.439 -0.064 18728 10632 1 11 . 1 1 88 88 ARG C C 88 177.011 177.011 176.475 0.536 18728 10633 1 11 . 1 1 88 88 ARG CA C 88 57.209 57.209 55.918 1.291 18728 10634 1 11 . 1 1 88 88 ARG CB C 88 30.452 30.452 30.862 -0.410 18728 10635 1 11 . 1 1 88 88 ARG H H 88 8.940 8.940 8.833 0.107 18728 10636 1 11 . 1 1 89 89 ALA N N 89 126.260 126.260 131.176 -4.916 18728 10637 1 11 . 1 1 89 89 ALA HA H 89 4.259 4.259 4.536 -0.277 18728 10638 1 11 . 1 1 89 89 ALA C C 89 177.452 177.452 176.821 0.631 18728 10639 1 11 . 1 1 89 89 ALA CA C 89 53.712 53.712 51.811 1.901 18728 10640 1 11 . 1 1 89 89 ALA CB C 89 18.824 18.824 18.808 0.016 18728 10641 1 11 . 1 1 89 89 ALA H H 89 8.424 8.424 8.199 0.225 18728 10642 1 11 . 1 1 90 90 VAL N N 90 115.835 115.835 122.341 -6.506 18728 10643 1 11 . 1 1 90 90 VAL HA H 90 4.182 4.182 4.010 0.172 18728 10644 1 11 . 1 1 90 90 VAL C C 90 175.397 175.397 177.431 -2.034 18728 10645 1 11 . 1 1 90 90 VAL CA C 90 61.516 61.516 62.576 -1.060 18728 10646 1 11 . 1 1 90 90 VAL CB C 90 33.448 33.448 31.706 1.742 18728 10647 1 11 . 1 1 90 90 VAL H H 90 7.892 7.892 7.644 0.248 18728 10648 1 11 . 1 1 91 91 SER N N 91 119.224 119.224 118.430 0.794 18728 10649 1 11 . 1 1 91 91 SER HA H 91 4.420 4.420 4.366 0.054 18728 10650 1 11 . 1 1 91 91 SER CA C 91 57.888 57.888 59.295 -1.407 18728 10651 1 11 . 1 1 91 91 SER CB C 91 63.788 63.788 63.971 -0.183 18728 10652 1 11 . 1 1 91 91 SER H H 91 8.327 8.327 8.688 -0.361 18728 10653 1 11 . 1 1 92 92 ARG HA H 92 4.231 4.231 3.987 0.244 18728 10654 1 11 . 1 1 92 92 ARG C C 92 176.651 176.651 178.702 -2.051 18728 10655 1 11 . 1 1 92 92 ARG CA C 92 56.671 56.671 59.375 -2.704 18728 10656 1 11 . 1 1 92 92 ARG CB C 92 30.776 30.776 30.224 0.552 18728 10657 1 11 . 1 1 92 92 ARG H H 92 8.425 8.425 8.804 -0.379 18728 10658 1 11 . 1 1 93 93 GLU N N 93 121.483 121.483 117.912 3.571 18728 10659 1 11 . 1 1 93 93 GLU HA H 93 4.181 4.181 4.128 0.053 18728 10660 1 11 . 1 1 93 93 GLU C C 93 176.605 176.605 178.418 -1.813 18728 10661 1 11 . 1 1 93 93 GLU CA C 93 57.185 57.185 58.691 -1.506 18728 10662 1 11 . 1 1 93 93 GLU CB C 93 30.015 30.015 29.220 0.795 18728 10663 1 11 . 1 1 93 93 GLU H H 93 8.503 8.503 8.573 -0.070 18728 10664 1 11 . 1 1 94 94 ASP N N 94 121.305 121.305 119.499 1.806 18728 10665 1 11 . 1 1 94 94 ASP HA H 94 4.540 4.540 4.574 -0.034 18728 10666 1 11 . 1 1 94 94 ASP C C 94 176.744 176.744 178.667 -1.923 18728 10667 1 11 . 1 1 94 94 ASP CA C 94 54.678 54.678 56.552 -1.874 18728 10668 1 11 . 1 1 94 94 ASP CB C 94 41.183 41.183 41.086 0.097 18728 10669 1 11 . 1 1 94 94 ASP H H 94 8.229 8.229 7.860 0.369 18728 10670 1 11 . 1 1 95 95 SER N N 95 115.787 115.787 115.184 0.603 18728 10671 1 11 . 1 1 95 95 SER HA H 95 4.286 4.286 3.965 0.321 18728 10672 1 11 . 1 1 95 95 SER C C 95 174.602 174.602 175.162 -0.560 18728 10673 1 11 . 1 1 95 95 SER CA C 95 58.957 58.957 60.553 -1.596 18728 10674 1 11 . 1 1 95 95 SER CB C 95 64.524 64.524 62.963 1.561 18728 10675 1 11 . 1 1 95 95 SER H H 95 8.109 8.109 8.364 -0.255 18728 10676 1 11 . 1 1 96 96 GLN N N 96 120.796 120.796 118.744 2.052 18728 10677 1 11 . 1 1 96 96 GLN HA H 96 4.297 4.297 4.279 0.018 18728 10678 1 11 . 1 1 96 96 GLN C C 96 175.742 175.742 175.551 0.191 18728 10679 1 11 . 1 1 96 96 GLN CA C 96 55.721 55.721 56.081 -0.360 18728 10680 1 11 . 1 1 96 96 GLN CB C 96 29.313 29.313 29.195 0.117 18728 10681 1 11 . 1 1 96 96 GLN H H 96 8.161 8.161 7.751 0.410 18728 10682 1 11 . 1 1 97 97 ARG N N 97 122.462 122.462 120.620 1.842 18728 10683 1 11 . 1 1 97 97 ARG HA H 97 4.552 4.552 4.651 -0.099 18728 10684 1 11 . 1 1 97 97 ARG CA C 97 54.096 54.096 52.440 1.656 18728 10685 1 11 . 1 1 97 97 ARG CB C 97 30.115 30.115 28.909 1.206 18728 10686 1 11 . 1 1 97 97 ARG H H 97 8.029 8.029 7.436 0.593 18728 10687 1 11 . 1 1 98 98 PRO HA H 98 4.362 4.362 4.314 0.048 18728 10688 1 11 . 1 1 98 98 PRO C C 98 177.715 177.715 177.556 0.159 18728 10689 1 11 . 1 1 98 98 PRO CA C 98 63.592 63.592 63.616 -0.024 18728 10690 1 11 . 1 1 98 98 PRO CB C 98 31.955 31.955 31.452 0.503 18728 10691 1 11 . 1 1 99 99 GLY N N 99 109.572 109.572 111.758 -2.186 18728 10692 1 11 . 1 1 99 99 GLY C C 99 174.356 174.356 174.178 0.178 18728 10693 1 11 . 1 1 99 99 GLY CA C 99 45.395 45.395 44.830 0.566 18728 10694 1 11 . 1 1 99 99 GLY H H 99 8.516 8.516 8.406 0.110 18728 10695 1 11 . 1 1 100 100 ALA N N 100 123.418 123.418 123.030 0.388 18728 10696 1 11 . 1 1 100 100 ALA HA H 100 4.141 4.141 3.937 0.204 18728 10697 1 11 . 1 1 100 100 ALA CA C 100 53.160 53.160 53.740 -0.580 18728 10698 1 11 . 1 1 100 100 ALA CB C 100 19.185 19.185 19.452 -0.267 18728 10699 1 11 . 1 1 100 100 ALA H H 100 8.015 8.015 7.407 0.608 18728 10700 1 11 . 1 1 101 101 HIS HA H 101 4.502 4.502 4.466 0.036 18728 10701 1 11 . 1 1 101 101 HIS C C 101 175.102 175.102 174.654 0.448 18728 10702 1 11 . 1 1 101 101 HIS CA C 101 56.309 56.309 55.000 1.309 18728 10703 1 11 . 1 1 101 101 HIS CB C 101 30.450 30.450 28.945 1.505 18728 10704 1 11 . 1 1 102 102 LEU N N 102 122.495 122.495 119.479 3.016 18728 10705 1 11 . 1 1 102 102 LEU HA H 102 4.263 4.263 4.374 -0.111 18728 10706 1 11 . 1 1 102 102 LEU C C 102 177.020 177.020 176.977 0.043 18728 10707 1 11 . 1 1 102 102 LEU CA C 102 54.934 54.934 54.852 0.082 18728 10708 1 11 . 1 1 102 102 LEU CB C 102 42.414 42.414 42.974 -0.560 18728 10709 1 11 . 1 1 102 102 LEU H H 102 7.774 7.774 7.690 0.084 18728 10710 1 11 . 1 1 103 103 THR N N 103 115.720 115.720 118.509 -2.789 18728 10711 1 11 . 1 1 103 103 THR HA H 103 4.220 4.220 3.904 0.316 18728 10712 1 11 . 1 1 103 103 THR C C 103 174.185 174.185 173.877 0.308 18728 10713 1 11 . 1 1 103 103 THR CA C 103 60.917 60.917 62.602 -1.685 18728 10714 1 11 . 1 1 103 103 THR CB C 103 69.340 69.340 67.918 1.422 18728 10715 1 11 . 1 1 103 103 THR H H 103 8.001 8.001 8.316 -0.315 18728 10716 1 11 . 1 1 104 104 VAL N N 104 122.004 122.004 126.825 -4.821 18728 10717 1 11 . 1 1 104 104 VAL HA H 104 4.330 4.330 4.265 0.065 18728 10718 1 11 . 1 1 104 104 VAL C C 104 175.294 175.294 175.366 -0.072 18728 10719 1 11 . 1 1 104 104 VAL CA C 104 61.877 61.877 61.581 0.296 18728 10720 1 11 . 1 1 104 104 VAL CB C 104 34.220 34.220 32.895 1.325 18728 10721 1 11 . 1 1 104 104 VAL H H 104 8.191 8.191 7.896 0.295 18728 10722 1 11 . 1 1 105 105 LYS N N 105 121.406 121.406 125.753 -4.347 18728 10723 1 11 . 1 1 105 105 LYS HA H 105 4.498 4.498 4.487 0.011 18728 10724 1 11 . 1 1 105 105 LYS C C 105 173.482 173.482 175.493 -2.011 18728 10725 1 11 . 1 1 105 105 LYS CA C 105 56.433 56.433 56.026 0.407 18728 10726 1 11 . 1 1 105 105 LYS CB C 105 33.245 33.245 32.777 0.468 18728 10727 1 11 . 1 1 105 105 LYS H H 105 8.672 8.672 8.778 -0.106 18728 10728 1 11 . 1 1 106 106 LYS N N 106 121.756 121.756 119.197 2.559 18728 10729 1 11 . 1 1 106 106 LYS HA H 106 5.623 5.623 5.342 0.281 18728 10730 1 11 . 1 1 106 106 LYS C C 106 175.153 175.153 175.461 -0.308 18728 10731 1 11 . 1 1 106 106 LYS CA C 106 54.537 54.537 54.839 -0.302 18728 10732 1 11 . 1 1 106 106 LYS CB C 106 37.407 37.407 36.051 1.356 18728 10733 1 11 . 1 1 106 106 LYS H H 106 7.134 7.134 7.699 -0.566 18728 10734 1 11 . 1 1 107 107 ILE N N 107 115.982 115.982 118.642 -2.660 18728 10735 1 11 . 1 1 107 107 ILE HA H 107 5.110 5.110 5.157 -0.047 18728 10736 1 11 . 1 1 107 107 ILE C C 107 174.525 174.525 173.946 0.579 18728 10737 1 11 . 1 1 107 107 ILE CA C 107 59.009 59.009 59.202 -0.193 18728 10738 1 11 . 1 1 107 107 ILE CB C 107 40.552 40.552 41.456 -0.905 18728 10739 1 11 . 1 1 107 107 ILE H H 107 8.948 8.948 8.296 0.652 18728 10740 1 11 . 1 1 108 108 PHE N N 108 124.182 124.182 124.460 -0.278 18728 10741 1 11 . 1 1 108 108 PHE HA H 108 4.696 4.696 4.713 -0.017 18728 10742 1 11 . 1 1 108 108 PHE C C 108 173.422 173.422 173.230 0.192 18728 10743 1 11 . 1 1 108 108 PHE CA C 108 56.567 56.567 55.843 0.724 18728 10744 1 11 . 1 1 108 108 PHE CB C 108 41.596 41.596 41.904 -0.308 18728 10745 1 11 . 1 1 108 108 PHE H H 108 9.103 9.103 9.080 0.023 18728 10746 1 11 . 1 1 109 109 VAL N N 109 126.956 126.956 127.594 -0.638 18728 10747 1 11 . 1 1 109 109 VAL HA H 109 4.497 4.497 4.781 -0.284 18728 10748 1 11 . 1 1 109 109 VAL C C 109 174.097 174.097 174.347 -0.250 18728 10749 1 11 . 1 1 109 109 VAL CA C 109 60.493 60.493 60.257 0.236 18728 10750 1 11 . 1 1 109 109 VAL CB C 109 33.266 33.266 32.684 0.582 18728 10751 1 11 . 1 1 109 109 VAL H H 109 8.338 8.338 8.326 0.012 18728 10752 1 11 . 1 1 110 110 GLY N N 110 113.617 113.617 113.292 0.325 18728 10753 1 11 . 1 1 110 110 GLY C C 110 174.325 174.325 173.540 0.785 18728 10754 1 11 . 1 1 110 110 GLY CA C 110 44.011 44.011 43.217 0.794 18728 10755 1 11 . 1 1 110 110 GLY H H 110 9.173 9.173 8.501 0.672 18728 10756 1 11 . 1 1 111 111 GLY N N 111 106.411 106.411 108.884 -2.473 18728 10757 1 11 . 1 1 111 111 GLY CA C 111 46.359 46.359 45.205 1.154 18728 10758 1 11 . 1 1 111 111 GLY H H 111 8.221 8.221 8.251 -0.030 18728 10759 1 11 . 1 1 116 116 THR HA H 116 4.322 4.322 4.958 -0.636 18728 10760 1 11 . 1 1 116 116 THR C C 116 173.380 173.380 174.089 -0.709 18728 10761 1 11 . 1 1 116 116 THR CA C 116 63.000 63.000 61.713 1.287 18728 10762 1 11 . 1 1 117 117 GLU N N 117 130.298 130.298 125.762 4.536 18728 10763 1 11 . 1 1 117 117 GLU HA H 117 4.632 4.632 4.657 -0.025 18728 10764 1 11 . 1 1 117 117 GLU C C 117 177.632 177.632 176.364 1.268 18728 10765 1 11 . 1 1 117 117 GLU CA C 117 53.853 53.853 54.169 -0.316 18728 10766 1 11 . 1 1 117 117 GLU CB C 117 32.977 32.977 31.227 1.750 18728 10767 1 11 . 1 1 117 117 GLU H H 117 11.190 11.190 8.303 2.887 18728 10768 1 11 . 1 1 118 118 GLU N N 118 122.126 122.126 120.408 1.718 18728 10769 1 11 . 1 1 118 118 GLU HA H 118 3.627 3.627 3.957 -0.330 18728 10770 1 11 . 1 1 118 118 GLU C C 118 179.294 179.294 177.861 1.433 18728 10771 1 11 . 1 1 118 118 GLU CA C 118 61.689 61.689 60.542 1.147 18728 10772 1 11 . 1 1 118 118 GLU CB C 118 29.075 29.075 29.533 -0.458 18728 10773 1 11 . 1 1 118 118 GLU H H 118 9.339 9.339 8.804 0.535 18728 10774 1 11 . 1 1 119 119 HIS N N 119 113.514 113.514 118.656 -5.142 18728 10775 1 11 . 1 1 119 119 HIS HA H 119 4.265 4.265 4.305 -0.040 18728 10776 1 11 . 1 1 119 119 HIS C C 119 176.566 176.566 177.827 -1.261 18728 10777 1 11 . 1 1 119 119 HIS CA C 119 58.917 58.917 59.851 -0.934 18728 10778 1 11 . 1 1 119 119 HIS CB C 119 28.187 28.187 29.716 -1.529 18728 10779 1 11 . 1 1 119 119 HIS H H 119 8.240 8.240 8.641 -0.401 18728 10780 1 11 . 1 1 120 120 HIS N N 120 118.629 118.629 117.242 1.387 18728 10781 1 11 . 1 1 120 120 HIS HA H 120 4.332 4.332 4.189 0.143 18728 10782 1 11 . 1 1 120 120 HIS C C 120 179.713 179.713 177.621 2.092 18728 10783 1 11 . 1 1 120 120 HIS CA C 120 60.310 60.310 58.949 1.361 18728 10784 1 11 . 1 1 120 120 HIS CB C 120 32.233 32.233 29.881 2.352 18728 10785 1 11 . 1 1 120 120 HIS H H 120 6.474 6.474 8.215 -1.741 18728 10786 1 11 . 1 1 121 121 LEU N N 121 117.249 117.249 115.858 1.391 18728 10787 1 11 . 1 1 121 121 LEU HA H 121 4.179 4.179 4.363 -0.184 18728 10788 1 11 . 1 1 121 121 LEU C C 121 178.020 178.020 178.518 -0.498 18728 10789 1 11 . 1 1 121 121 LEU CA C 121 57.924 57.924 57.595 0.329 18728 10790 1 11 . 1 1 121 121 LEU CB C 121 42.577 42.577 41.596 0.981 18728 10791 1 11 . 1 1 121 121 LEU H H 121 7.132 7.132 7.670 -0.538 18728 10792 1 11 . 1 1 122 122 ARG N N 122 121.766 121.766 121.432 0.334 18728 10793 1 11 . 1 1 122 122 ARG HA H 122 3.741 3.741 4.039 -0.298 18728 10794 1 11 . 1 1 122 122 ARG C C 122 177.023 177.023 178.031 -1.008 18728 10795 1 11 . 1 1 122 122 ARG CA C 122 60.508 60.508 59.947 0.561 18728 10796 1 11 . 1 1 122 122 ARG CB C 122 30.256 30.256 29.810 0.446 18728 10797 1 11 . 1 1 122 122 ARG H H 122 8.759 8.759 8.903 -0.144 18728 10798 1 11 . 1 1 123 123 ASP N N 123 116.299 116.299 117.452 -1.153 18728 10799 1 11 . 1 1 123 123 ASP HA H 123 4.294 4.294 4.383 -0.089 18728 10800 1 11 . 1 1 123 123 ASP C C 123 178.057 178.057 177.858 0.199 18728 10801 1 11 . 1 1 123 123 ASP CA C 123 57.076 57.076 56.648 0.428 18728 10802 1 11 . 1 1 123 123 ASP CB C 123 40.572 40.572 40.602 -0.030 18728 10803 1 11 . 1 1 123 123 ASP H H 123 8.423 8.423 7.920 0.503 18728 10804 1 11 . 1 1 124 124 TYR N N 124 115.172 115.172 119.780 -4.608 18728 10805 1 11 . 1 1 124 124 TYR HA H 124 4.338 4.338 4.193 0.145 18728 10806 1 11 . 1 1 124 124 TYR C C 124 177.688 177.688 177.685 0.003 18728 10807 1 11 . 1 1 124 124 TYR CA C 124 61.660 61.660 61.231 0.429 18728 10808 1 11 . 1 1 124 124 TYR CB C 124 39.847 39.847 38.888 0.959 18728 10809 1 11 . 1 1 124 124 TYR H H 124 7.212 7.212 7.371 -0.159 18728 10810 1 11 . 1 1 125 125 PHE N N 125 113.932 113.932 117.852 -3.920 18728 10811 1 11 . 1 1 125 125 PHE HA H 125 4.515 4.515 4.328 0.187 18728 10812 1 11 . 1 1 125 125 PHE C C 125 178.209 178.209 178.341 -0.132 18728 10813 1 11 . 1 1 125 125 PHE CA C 125 63.404 63.404 61.300 2.104 18728 10814 1 11 . 1 1 125 125 PHE CB C 125 38.614 38.614 38.562 0.052 18728 10815 1 11 . 1 1 125 125 PHE H H 125 8.802 8.802 8.968 -0.166 18728 10816 1 11 . 1 1 126 126 GLU N N 126 120.515 120.515 118.925 1.590 18728 10817 1 11 . 1 1 126 126 GLU HA H 126 4.884 4.884 4.501 0.383 18728 10818 1 11 . 1 1 126 126 GLU C C 126 177.936 177.936 177.303 0.633 18728 10819 1 11 . 1 1 126 126 GLU CA C 126 58.560 58.560 57.891 0.670 18728 10820 1 11 . 1 1 126 126 GLU CB C 126 28.516 28.516 29.254 -0.738 18728 10821 1 11 . 1 1 126 126 GLU H H 126 8.869 8.869 8.184 0.685 18728 10822 1 11 . 1 1 127 127 GLN N N 127 115.855 115.855 116.094 -0.239 18728 10823 1 11 . 1 1 127 127 GLN HA H 127 4.055 4.055 3.968 0.087 18728 10824 1 11 . 1 1 127 127 GLN C C 127 176.656 176.656 177.513 -0.857 18728 10825 1 11 . 1 1 127 127 GLN CA C 127 57.566 57.566 57.760 -0.194 18728 10826 1 11 . 1 1 127 127 GLN CB C 127 29.047 29.047 28.737 0.310 18728 10827 1 11 . 1 1 127 127 GLN H H 127 7.105 7.105 7.615 -0.510 18728 10828 1 11 . 1 1 128 128 TYR N N 128 116.626 116.626 116.291 0.335 18728 10829 1 11 . 1 1 128 128 TYR HA H 128 4.328 4.328 4.443 -0.115 18728 10830 1 11 . 1 1 128 128 TYR C C 128 175.596 175.596 175.263 0.333 18728 10831 1 11 . 1 1 128 128 TYR CA C 128 59.492 59.492 59.516 -0.024 18728 10832 1 11 . 1 1 128 128 TYR CB C 128 39.539 39.539 40.049 -0.510 18728 10833 1 11 . 1 1 128 128 TYR H H 128 7.950 7.950 7.943 0.007 18728 10834 1 11 . 1 1 129 129 GLY N N 129 107.386 107.386 102.491 4.895 18728 10835 1 11 . 1 1 129 129 GLY C C 129 170.407 170.407 171.960 -1.553 18728 10836 1 11 . 1 1 129 129 GLY CA C 129 44.819 44.819 45.305 -0.486 18728 10837 1 11 . 1 1 129 129 GLY H H 129 7.492 7.492 7.629 -0.137 18728 10838 1 11 . 1 1 130 130 LYS N N 130 117.786 117.786 120.912 -3.126 18728 10839 1 11 . 1 1 130 130 LYS HA H 130 4.315 4.315 4.407 -0.092 18728 10840 1 11 . 1 1 130 130 LYS C C 130 177.097 177.097 175.258 1.839 18728 10841 1 11 . 1 1 130 130 LYS CA C 130 56.938 56.938 56.374 0.564 18728 10842 1 11 . 1 1 130 130 LYS CB C 130 33.199 33.199 33.381 -0.182 18728 10843 1 11 . 1 1 130 130 LYS H H 130 8.135 8.135 8.616 -0.481 18728 10844 1 11 . 1 1 131 131 ILE N N 131 127.829 127.829 126.301 1.528 18728 10845 1 11 . 1 1 131 131 ILE HA H 131 3.681 3.681 3.864 -0.183 18728 10846 1 11 . 1 1 131 131 ILE C C 131 175.841 175.841 175.982 -0.141 18728 10847 1 11 . 1 1 131 131 ILE CA C 131 61.625 61.625 60.460 1.165 18728 10848 1 11 . 1 1 131 131 ILE CB C 131 40.441 40.441 39.658 0.783 18728 10849 1 11 . 1 1 131 131 ILE H H 131 8.917 8.917 8.478 0.439 18728 10850 1 11 . 1 1 132 132 GLU N N 132 128.437 128.437 127.656 0.781 18728 10851 1 11 . 1 1 132 132 GLU HA H 132 4.320 4.320 4.300 0.020 18728 10852 1 11 . 1 1 132 132 GLU C C 132 176.192 176.192 175.852 0.340 18728 10853 1 11 . 1 1 132 132 GLU CA C 132 57.816 57.816 58.383 -0.567 18728 10854 1 11 . 1 1 132 132 GLU CB C 132 31.670 31.670 31.061 0.609 18728 10855 1 11 . 1 1 132 132 GLU H H 132 9.136 9.136 8.583 0.553 18728 10856 1 11 . 1 1 133 133 VAL N N 133 115.096 115.096 116.154 -1.058 18728 10857 1 11 . 1 1 133 133 VAL HA H 133 4.316 4.316 4.228 0.088 18728 10858 1 11 . 1 1 133 133 VAL C C 133 172.860 172.860 173.614 -0.754 18728 10859 1 11 . 1 1 133 133 VAL CA C 133 61.258 61.258 61.322 -0.064 18728 10860 1 11 . 1 1 133 133 VAL CB C 133 35.526 35.526 35.113 0.413 18728 10861 1 11 . 1 1 133 133 VAL H H 133 7.272 7.272 7.436 -0.164 18728 10862 1 11 . 1 1 134 134 ILE N N 134 126.870 126.870 123.637 3.233 18728 10863 1 11 . 1 1 134 134 ILE HA H 134 4.464 4.464 4.377 0.087 18728 10864 1 11 . 1 1 134 134 ILE C C 134 174.004 174.004 174.719 -0.715 18728 10865 1 11 . 1 1 134 134 ILE CA C 134 60.904 60.904 60.490 0.414 18728 10866 1 11 . 1 1 134 134 ILE CB C 134 40.408 40.408 40.298 0.110 18728 10867 1 11 . 1 1 134 134 ILE H H 134 8.566 8.566 8.435 0.131 18728 10868 1 11 . 1 1 135 135 GLU N N 135 128.037 128.037 128.475 -0.438 18728 10869 1 11 . 1 1 135 135 GLU HA H 135 4.642 4.642 4.662 -0.020 18728 10870 1 11 . 1 1 135 135 GLU C C 135 174.883 174.883 175.018 -0.135 18728 10871 1 11 . 1 1 135 135 GLU CA C 135 54.640 54.640 55.346 -0.706 18728 10872 1 11 . 1 1 135 135 GLU CB C 135 33.259 33.259 29.906 3.353 18728 10873 1 11 . 1 1 135 135 GLU H H 135 9.019 9.019 8.726 0.293 18728 10874 1 11 . 1 1 136 136 ILE N N 136 126.668 126.668 125.478 1.190 18728 10875 1 11 . 1 1 136 136 ILE HA H 136 3.898 3.898 4.257 -0.359 18728 10876 1 11 . 1 1 136 136 ILE C C 136 176.157 176.157 175.123 1.034 18728 10877 1 11 . 1 1 136 136 ILE CA C 136 61.336 61.336 59.998 1.339 18728 10878 1 11 . 1 1 136 136 ILE CB C 136 37.397 37.397 37.427 -0.030 18728 10879 1 11 . 1 1 136 136 ILE H H 136 8.967 8.967 8.554 0.413 18728 10880 1 11 . 1 1 137 137 MET N N 137 126.115 126.115 129.006 -2.891 18728 10881 1 11 . 1 1 137 137 MET HA H 137 4.679 4.679 4.682 -0.003 18728 10882 1 11 . 1 1 137 137 MET C C 137 176.723 176.723 175.268 1.455 18728 10883 1 11 . 1 1 137 137 MET CA C 137 55.163 55.163 53.210 1.953 18728 10884 1 11 . 1 1 137 137 MET CB C 137 30.841 30.841 31.749 -0.908 18728 10885 1 11 . 1 1 137 137 MET H H 137 7.656 7.656 8.262 -0.606 18728 10886 1 11 . 1 1 138 138 THR N N 138 116.735 116.735 117.857 -1.122 18728 10887 1 11 . 1 1 138 138 THR HA H 138 4.746 4.746 4.487 0.259 18728 10888 1 11 . 1 1 138 138 THR C C 138 173.642 173.642 173.691 -0.049 18728 10889 1 11 . 1 1 138 138 THR CA C 138 60.385 60.385 60.886 -0.501 18728 10890 1 11 . 1 1 138 138 THR CB C 138 72.028 72.028 70.735 1.293 18728 10891 1 11 . 1 1 138 138 THR H H 138 8.551 8.551 8.380 0.171 18728 10892 1 11 . 1 1 139 139 ASP N N 139 123.899 123.899 124.259 -0.360 18728 10893 1 11 . 1 1 139 139 ASP HA H 139 4.677 4.677 4.637 0.040 18728 10894 1 11 . 1 1 139 139 ASP CA C 139 53.728 53.728 53.890 -0.162 18728 10895 1 11 . 1 1 139 139 ASP CB C 139 42.270 42.270 41.716 0.554 18728 10896 1 11 . 1 1 139 139 ASP H H 139 8.818 8.818 8.597 0.221 18728 10897 1 11 . 1 1 140 140 ARG HA H 140 4.037 4.037 4.194 -0.157 18728 10898 1 11 . 1 1 140 140 ARG C C 140 177.886 177.886 177.521 0.365 18728 10899 1 11 . 1 1 140 140 ARG CB C 140 29.886 29.886 30.226 -0.340 18728 10900 1 11 . 1 1 141 141 GLY N N 141 107.951 107.951 107.064 0.887 18728 10901 1 11 . 1 1 141 141 GLY C C 141 174.861 174.861 175.791 -0.930 18728 10902 1 11 . 1 1 141 141 GLY CA C 141 46.490 46.490 45.850 0.640 18728 10903 1 11 . 1 1 141 141 GLY H H 141 8.635 8.635 8.180 0.455 18728 10904 1 11 . 1 1 142 142 SER N N 142 114.044 114.044 116.028 -1.984 18728 10905 1 11 . 1 1 142 142 SER HA H 142 4.533 4.533 4.561 -0.028 18728 10906 1 11 . 1 1 142 142 SER C C 142 176.080 176.080 174.869 1.211 18728 10907 1 11 . 1 1 142 142 SER CA C 142 58.429 58.429 58.636 -0.207 18728 10908 1 11 . 1 1 142 142 SER CB C 142 65.439 65.439 64.362 1.077 18728 10909 1 11 . 1 1 142 142 SER H H 142 8.034 8.034 8.641 -0.607 18728 10910 1 11 . 1 1 143 143 GLY N N 143 112.348 112.348 108.739 3.609 18728 10911 1 11 . 1 1 143 143 GLY C C 143 173.949 173.949 174.119 -0.170 18728 10912 1 11 . 1 1 143 143 GLY CA C 143 45.703 45.703 45.454 0.249 18728 10913 1 11 . 1 1 143 143 GLY H H 143 8.363 8.363 8.132 0.231 18728 10914 1 11 . 1 1 144 144 LYS N N 144 119.966 119.966 120.286 -0.320 18728 10915 1 11 . 1 1 144 144 LYS HA H 144 4.273 4.273 4.522 -0.249 18728 10916 1 11 . 1 1 144 144 LYS C C 144 176.969 176.969 175.492 1.477 18728 10917 1 11 . 1 1 144 144 LYS CA C 144 56.145 56.145 53.943 2.202 18728 10918 1 11 . 1 1 144 144 LYS CB C 144 33.378 33.378 33.526 -0.148 18728 10919 1 11 . 1 1 144 144 LYS H H 144 7.786 7.786 7.435 0.351 18728 10920 1 11 . 1 1 145 145 LYS N N 145 123.668 123.668 126.183 -2.515 18728 10921 1 11 . 1 1 145 145 LYS HA H 145 4.187 4.187 4.290 -0.103 18728 10922 1 11 . 1 1 145 145 LYS C C 145 177.498 177.498 174.998 2.500 18728 10923 1 11 . 1 1 145 145 LYS CA C 145 57.392 57.392 56.043 1.349 18728 10924 1 11 . 1 1 145 145 LYS CB C 145 32.577 32.577 32.004 0.573 18728 10925 1 11 . 1 1 145 145 LYS H H 145 8.968 8.968 9.015 -0.047 18728 10926 1 11 . 1 1 146 146 ARG N N 146 119.700 119.700 121.673 -1.973 18728 10927 1 11 . 1 1 146 146 ARG HA H 146 4.294 4.294 4.294 0.000 18728 10928 1 11 . 1 1 146 146 ARG CA C 146 56.365 56.365 55.790 0.575 18728 10929 1 11 . 1 1 146 146 ARG CB C 146 30.786 30.786 31.459 -0.673 18728 10930 1 11 . 1 1 146 146 ARG H H 146 8.095 8.095 7.883 0.212 18728 10931 1 11 . 1 1 147 147 GLY N N 147 110.572 110.572 107.518 3.054 18728 10932 1 11 . 1 1 147 147 GLY C C 147 173.384 173.384 172.353 1.031 18728 10933 1 11 . 1 1 147 147 GLY CA C 147 45.440 45.440 45.645 -0.206 18728 10934 1 11 . 1 1 147 147 GLY H H 147 8.401 8.401 8.886 -0.485 18728 10935 1 11 . 1 1 148 148 PHE N N 148 114.199 114.199 116.392 -2.193 18728 10936 1 11 . 1 1 148 148 PHE HA H 148 5.194 5.194 5.319 -0.125 18728 10937 1 11 . 1 1 148 148 PHE C C 148 172.409 172.409 172.724 -0.315 18728 10938 1 11 . 1 1 148 148 PHE CA C 148 55.282 55.282 55.431 -0.149 18728 10939 1 11 . 1 1 148 148 PHE CB C 148 41.869 41.869 40.959 0.910 18728 10940 1 11 . 1 1 148 148 PHE H H 148 7.255 7.255 7.010 0.245 18728 10941 1 11 . 1 1 149 149 ALA N N 149 121.427 121.427 120.587 0.840 18728 10942 1 11 . 1 1 149 149 ALA HA H 149 4.966 4.966 4.715 0.251 18728 10943 1 11 . 1 1 149 149 ALA C C 149 174.084 174.084 174.302 -0.218 18728 10944 1 11 . 1 1 149 149 ALA CA C 149 49.755 49.755 51.022 -1.267 18728 10945 1 11 . 1 1 149 149 ALA CB C 149 25.094 25.094 22.656 2.438 18728 10946 1 11 . 1 1 149 149 ALA H H 149 8.786 8.786 8.771 0.015 18728 10947 1 11 . 1 1 150 150 PHE N N 150 114.425 114.425 116.066 -1.641 18728 10948 1 11 . 1 1 150 150 PHE HA H 150 5.874 5.874 5.564 0.310 18728 10949 1 11 . 1 1 150 150 PHE C C 150 176.196 176.196 174.329 1.867 18728 10950 1 11 . 1 1 150 150 PHE CA C 150 56.070 56.070 56.998 -0.928 18728 10951 1 11 . 1 1 150 150 PHE CB C 150 43.251 43.251 44.447 -1.196 18728 10952 1 11 . 1 1 150 150 PHE H H 150 8.689 8.689 9.091 -0.402 18728 10953 1 11 . 1 1 151 151 VAL N N 151 122.489 122.489 120.792 1.697 18728 10954 1 11 . 1 1 151 151 VAL HA H 151 4.375 4.375 4.536 -0.161 18728 10955 1 11 . 1 1 151 151 VAL C C 151 173.932 173.932 173.913 0.019 18728 10956 1 11 . 1 1 151 151 VAL CA C 151 61.454 61.454 60.555 0.899 18728 10957 1 11 . 1 1 151 151 VAL CB C 151 33.869 33.869 35.700 -1.831 18728 10958 1 11 . 1 1 151 151 VAL H H 151 8.559 8.559 8.484 0.075 18728 10959 1 11 . 1 1 152 152 THR N N 152 123.112 123.112 125.535 -2.423 18728 10960 1 11 . 1 1 152 152 THR HA H 152 4.995 4.995 4.755 0.240 18728 10961 1 11 . 1 1 152 152 THR C C 152 174.047 174.047 173.928 0.119 18728 10962 1 11 . 1 1 152 152 THR CA C 152 61.931 61.931 62.602 -0.671 18728 10963 1 11 . 1 1 152 152 THR CB C 152 69.689 69.689 69.106 0.583 18728 10964 1 11 . 1 1 152 152 THR H H 152 8.723 8.723 8.703 0.020 18728 10965 1 11 . 1 1 153 153 PHE N N 153 127.746 127.746 126.502 1.244 18728 10966 1 11 . 1 1 153 153 PHE HA H 153 4.840 4.840 4.625 0.215 18728 10967 1 11 . 1 1 153 153 PHE C C 153 174.720 174.720 175.372 -0.652 18728 10968 1 11 . 1 1 153 153 PHE CA C 153 58.098 58.098 58.327 -0.229 18728 10969 1 11 . 1 1 153 153 PHE CB C 153 41.706 41.706 41.565 0.141 18728 10970 1 11 . 1 1 153 153 PHE H H 153 9.368 9.368 9.200 0.168 18728 10971 1 11 . 1 1 154 154 ASP N N 154 118.371 118.371 120.357 -1.986 18728 10972 1 11 . 1 1 154 154 ASP HA H 154 4.486 4.486 4.584 -0.098 18728 10973 1 11 . 1 1 154 154 ASP C C 154 175.668 175.668 175.314 0.354 18728 10974 1 11 . 1 1 154 154 ASP CA C 154 56.114 56.114 56.086 0.028 18728 10975 1 11 . 1 1 154 154 ASP CB C 154 42.576 42.576 42.747 -0.171 18728 10976 1 11 . 1 1 154 154 ASP H H 154 8.196 8.196 8.956 -0.760 18728 10977 1 11 . 1 1 155 155 ASP N N 155 117.144 117.144 115.507 1.637 18728 10978 1 11 . 1 1 155 155 ASP HA H 155 4.909 4.909 4.922 -0.013 18728 10979 1 11 . 1 1 155 155 ASP C C 155 176.392 176.392 175.933 0.459 18728 10980 1 11 . 1 1 155 155 ASP CA C 155 52.615 52.615 52.562 0.053 18728 10981 1 11 . 1 1 155 155 ASP CB C 155 44.471 44.471 44.422 0.049 18728 10982 1 11 . 1 1 155 155 ASP H H 155 8.323 8.323 7.742 0.581 18728 10983 1 11 . 1 1 156 156 HIS N N 156 121.508 121.508 121.098 0.410 18728 10984 1 11 . 1 1 156 156 HIS HA H 156 4.336 4.336 4.565 -0.229 18728 10985 1 11 . 1 1 156 156 HIS C C 156 176.855 176.855 176.139 0.716 18728 10986 1 11 . 1 1 156 156 HIS CA C 156 58.593 58.593 57.468 1.125 18728 10987 1 11 . 1 1 156 156 HIS CB C 156 29.703 29.703 29.801 -0.098 18728 10988 1 11 . 1 1 156 156 HIS H H 156 8.492 8.492 8.613 -0.121 18728 10989 1 11 . 1 1 157 157 ASP N N 157 122.539 122.539 119.590 2.949 18728 10990 1 11 . 1 1 157 157 ASP HA H 157 4.254 4.254 4.254 0.000 18728 10991 1 11 . 1 1 157 157 ASP C C 157 178.233 178.233 178.043 0.190 18728 10992 1 11 . 1 1 157 157 ASP CA C 157 57.047 57.047 57.330 -0.283 18728 10993 1 11 . 1 1 157 157 ASP CB C 157 40.875 40.875 40.437 0.438 18728 10994 1 11 . 1 1 157 157 ASP H H 157 8.345 8.345 8.068 0.277 18728 10995 1 11 . 1 1 158 158 SER N N 158 113.623 113.623 114.051 -0.428 18728 10996 1 11 . 1 1 158 158 SER HA H 158 3.899 3.899 4.148 -0.249 18728 10997 1 11 . 1 1 158 158 SER C C 158 174.750 174.750 175.914 -1.164 18728 10998 1 11 . 1 1 158 158 SER CA C 158 61.914 61.914 61.396 0.518 18728 10999 1 11 . 1 1 158 158 SER CB C 158 63.088 63.088 62.529 0.559 18728 11000 1 11 . 1 1 158 158 SER H H 158 7.424 7.424 8.262 -0.838 18728 11001 1 11 . 1 1 159 159 VAL N N 159 118.448 118.448 121.890 -3.442 18728 11002 1 11 . 1 1 159 159 VAL HA H 159 2.913 2.913 3.289 -0.376 18728 11003 1 11 . 1 1 159 159 VAL C C 159 177.269 177.269 177.219 0.050 18728 11004 1 11 . 1 1 159 159 VAL CA C 159 66.512 66.512 65.832 0.680 18728 11005 1 11 . 1 1 159 159 VAL CB C 159 31.395 31.395 31.755 -0.360 18728 11006 1 11 . 1 1 159 159 VAL H H 159 6.484 6.484 6.951 -0.467 18728 11007 1 11 . 1 1 160 160 ASP N N 160 119.064 119.064 119.832 -0.768 18728 11008 1 11 . 1 1 160 160 ASP HA H 160 4.275 4.275 4.358 -0.083 18728 11009 1 11 . 1 1 160 160 ASP C C 160 178.284 178.284 178.488 -0.204 18728 11010 1 11 . 1 1 160 160 ASP CA C 160 57.798 57.798 57.485 0.313 18728 11011 1 11 . 1 1 160 160 ASP CB C 160 40.288 40.288 40.942 -0.654 18728 11012 1 11 . 1 1 160 160 ASP H H 160 7.663 7.663 7.833 -0.170 18728 11013 1 11 . 1 1 161 161 LYS N N 161 116.568 116.568 118.882 -2.314 18728 11014 1 11 . 1 1 161 161 LYS HA H 161 4.030 4.030 4.022 0.008 18728 11015 1 11 . 1 1 161 161 LYS C C 161 178.205 178.205 178.551 -0.346 18728 11016 1 11 . 1 1 161 161 LYS CA C 161 58.796 58.796 59.473 -0.677 18728 11017 1 11 . 1 1 161 161 LYS CB C 161 33.298 33.298 32.486 0.812 18728 11018 1 11 . 1 1 161 161 LYS H H 161 7.465 7.465 7.747 -0.282 18728 11019 1 11 . 1 1 162 162 ILE N N 162 119.457 119.457 117.411 2.046 18728 11020 1 11 . 1 1 162 162 ILE HA H 162 3.241 3.241 3.669 -0.428 18728 11021 1 11 . 1 1 162 162 ILE C C 162 179.129 179.129 178.119 1.010 18728 11022 1 11 . 1 1 162 162 ILE CA C 162 65.201 65.201 64.484 0.716 18728 11023 1 11 . 1 1 162 162 ILE CB C 162 39.170 39.170 38.528 0.642 18728 11024 1 11 . 1 1 162 162 ILE H H 162 7.367 7.367 7.159 0.208 18728 11025 1 11 . 1 1 163 163 VAL N N 163 109.705 109.705 117.384 -7.679 18728 11026 1 11 . 1 1 163 163 VAL HA H 163 4.093 4.093 3.962 0.131 18728 11027 1 11 . 1 1 163 163 VAL C C 163 176.685 176.685 176.776 -0.091 18728 11028 1 11 . 1 1 163 163 VAL CA C 163 64.137 64.137 64.754 -0.617 18728 11029 1 11 . 1 1 163 163 VAL CB C 163 30.720 30.720 31.439 -0.720 18728 11030 1 11 . 1 1 163 163 VAL H H 163 7.814 7.814 7.663 0.151 18728 11031 1 11 . 1 1 164 164 ILE N N 164 118.885 118.885 118.693 0.192 18728 11032 1 11 . 1 1 164 164 ILE HA H 164 3.968 3.968 3.807 0.161 18728 11033 1 11 . 1 1 164 164 ILE C C 164 176.006 176.006 176.178 -0.172 18728 11034 1 11 . 1 1 164 164 ILE CA C 164 63.328 63.328 63.684 -0.356 18728 11035 1 11 . 1 1 164 164 ILE CB C 164 38.136 38.136 38.151 -0.014 18728 11036 1 11 . 1 1 164 164 ILE H H 164 6.979 6.979 7.326 -0.347 18728 11037 1 11 . 1 1 165 165 GLN N N 165 120.509 120.509 118.091 2.418 18728 11038 1 11 . 1 1 165 165 GLN HA H 165 4.472 4.472 4.441 0.031 18728 11039 1 11 . 1 1 165 165 GLN C C 165 174.808 174.808 174.830 -0.022 18728 11040 1 11 . 1 1 165 165 GLN CA C 165 54.743 54.743 54.499 0.244 18728 11041 1 11 . 1 1 165 165 GLN CB C 165 30.183 30.183 28.757 1.426 18728 11042 1 11 . 1 1 165 165 GLN H H 165 7.490 7.490 7.801 -0.311 18728 11043 1 11 . 1 1 166 166 LYS N N 166 122.953 122.953 123.660 -0.707 18728 11044 1 11 . 1 1 166 166 LYS HA H 166 3.992 3.992 4.101 -0.109 18728 11045 1 11 . 1 1 166 166 LYS C C 166 175.496 175.496 175.633 -0.137 18728 11046 1 11 . 1 1 166 166 LYS CA C 166 59.718 59.718 58.977 0.741 18728 11047 1 11 . 1 1 166 166 LYS CB C 166 33.115 33.115 33.063 0.052 18728 11048 1 11 . 1 1 166 166 LYS H H 166 8.085 8.085 8.687 -0.602 18728 11049 1 11 . 1 1 167 167 TYR N N 167 114.210 114.210 114.752 -0.542 18728 11050 1 11 . 1 1 167 167 TYR HA H 167 5.457 5.457 5.360 0.097 18728 11051 1 11 . 1 1 167 167 TYR C C 167 175.593 175.593 175.731 -0.138 18728 11052 1 11 . 1 1 167 167 TYR CA C 167 56.417 56.417 56.906 -0.489 18728 11053 1 11 . 1 1 167 167 TYR CB C 167 40.057 40.057 40.694 -0.637 18728 11054 1 11 . 1 1 167 167 TYR H H 167 7.740 7.740 7.644 0.096 18728 11055 1 11 . 1 1 168 168 HIS N N 168 122.617 122.617 122.461 0.156 18728 11056 1 11 . 1 1 168 168 HIS HA H 168 4.526 4.526 5.029 -0.503 18728 11057 1 11 . 1 1 168 168 HIS C C 168 174.213 174.213 174.503 -0.290 18728 11058 1 11 . 1 1 168 168 HIS CA C 168 55.233 55.233 55.015 0.218 18728 11059 1 11 . 1 1 168 168 HIS CB C 168 34.906 34.906 34.190 0.716 18728 11060 1 11 . 1 1 168 168 HIS H H 168 9.035 9.035 9.307 -0.272 18728 11061 1 11 . 1 1 169 169 THR N N 169 121.981 121.981 119.446 2.535 18728 11062 1 11 . 1 1 169 169 THR HA H 169 4.722 4.722 4.575 0.147 18728 11063 1 11 . 1 1 169 169 THR C C 169 172.973 172.973 173.954 -0.981 18728 11064 1 11 . 1 1 169 169 THR CA C 169 61.620 61.620 62.149 -0.529 18728 11065 1 11 . 1 1 169 169 THR CB C 169 68.692 68.692 68.498 0.194 18728 11066 1 11 . 1 1 169 169 THR H H 169 8.784 8.784 8.675 0.109 18728 11067 1 11 . 1 1 170 170 VAL N N 170 125.540 125.540 126.217 -0.677 18728 11068 1 11 . 1 1 170 170 VAL HA H 170 3.751 3.751 3.780 -0.029 18728 11069 1 11 . 1 1 170 170 VAL C C 170 175.997 175.997 176.044 -0.047 18728 11070 1 11 . 1 1 170 170 VAL CA C 170 60.770 60.770 59.379 1.391 18728 11071 1 11 . 1 1 170 170 VAL CB C 170 34.216 34.216 33.504 0.712 18728 11072 1 11 . 1 1 170 170 VAL H H 170 8.268 8.268 8.665 -0.398 18728 11073 1 11 . 1 1 171 171 ASN N N 171 126.811 126.811 126.527 0.284 18728 11074 1 11 . 1 1 171 171 ASN HA H 171 4.065 4.065 4.210 -0.145 18728 11075 1 11 . 1 1 171 171 ASN C C 171 174.266 174.266 175.285 -1.019 18728 11076 1 11 . 1 1 171 171 ASN CA C 171 53.184 53.184 53.798 -0.615 18728 11077 1 11 . 1 1 171 171 ASN CB C 171 37.436 37.436 37.633 -0.197 18728 11078 1 11 . 1 1 171 171 ASN H H 171 9.437 9.437 8.983 0.454 18728 11079 1 11 . 1 1 172 172 GLY N N 172 100.629 100.629 103.704 -3.075 18728 11080 1 11 . 1 1 172 172 GLY C C 172 173.335 173.335 173.704 -0.369 18728 11081 1 11 . 1 1 172 172 GLY CA C 172 45.154 45.154 45.471 -0.317 18728 11082 1 11 . 1 1 172 172 GLY H H 172 8.194 8.194 8.428 -0.234 18728 11083 1 11 . 1 1 173 173 HIS N N 173 119.555 119.555 121.033 -1.478 18728 11084 1 11 . 1 1 173 173 HIS HA H 173 4.860 4.860 4.732 0.128 18728 11085 1 11 . 1 1 173 173 HIS CA C 173 53.723 53.723 54.347 -0.624 18728 11086 1 11 . 1 1 173 173 HIS CB C 173 31.589 31.589 31.550 0.039 18728 11087 1 11 . 1 1 173 173 HIS H H 173 7.657 7.657 7.826 -0.169 18728 11088 1 11 . 1 1 174 174 ASN N N 174 122.936 122.936 127.336 -4.400 18728 11089 1 11 . 1 1 174 174 ASN HA H 174 4.794 4.794 5.001 -0.207 18728 11090 1 11 . 1 1 174 174 ASN C C 174 174.918 174.918 174.631 0.287 18728 11091 1 11 . 1 1 174 174 ASN CA C 174 53.748 53.748 54.324 -0.576 18728 11092 1 11 . 1 1 174 174 ASN CB C 174 38.185 38.185 38.322 -0.137 18728 11093 1 11 . 1 1 174 174 ASN H H 174 8.828 8.828 8.456 0.372 18728 11094 1 11 . 1 1 175 175 CYS N N 175 126.425 126.425 122.738 3.687 18728 11095 1 11 . 1 1 175 175 CYS HA H 175 4.872 4.872 4.751 0.121 18728 11096 1 11 . 1 1 175 175 CYS C C 175 173.853 173.853 173.528 0.325 18728 11097 1 11 . 1 1 175 175 CYS CA C 175 59.380 59.380 56.823 2.557 18728 11098 1 11 . 1 1 175 175 CYS CB C 175 29.966 29.966 30.561 -0.595 18728 11099 1 11 . 1 1 175 175 CYS H H 175 9.078 9.078 8.997 0.081 18728 11100 1 11 . 1 1 176 176 GLU N N 176 124.488 124.488 121.836 2.652 18728 11101 1 11 . 1 1 176 176 GLU HA H 176 4.661 4.661 4.664 -0.003 18728 11102 1 11 . 1 1 176 176 GLU C C 176 175.343 175.343 175.170 0.173 18728 11103 1 11 . 1 1 176 176 GLU CA C 176 55.296 55.296 55.679 -0.383 18728 11104 1 11 . 1 1 176 176 GLU CB C 176 31.550 31.550 31.066 0.484 18728 11105 1 11 . 1 1 176 176 GLU H H 176 8.161 8.161 8.933 -0.772 18728 11106 1 11 . 1 1 177 177 VAL N N 177 122.521 122.521 126.039 -3.518 18728 11107 1 11 . 1 1 177 177 VAL HA H 177 5.628 5.628 5.537 0.091 18728 11108 1 11 . 1 1 177 177 VAL C C 177 175.720 175.720 174.552 1.168 18728 11109 1 11 . 1 1 177 177 VAL CA C 177 59.713 59.713 60.268 -0.555 18728 11110 1 11 . 1 1 177 177 VAL CB C 177 34.523 34.523 34.242 0.281 18728 11111 1 11 . 1 1 177 177 VAL H H 177 8.684 8.684 8.893 -0.209 18728 11112 1 11 . 1 1 178 178 ARG N N 178 119.915 119.915 124.136 -4.221 18728 11113 1 11 . 1 1 178 178 ARG HA H 178 4.746 4.746 4.693 0.053 18728 11114 1 11 . 1 1 178 178 ARG C C 178 175.689 175.689 174.453 1.236 18728 11115 1 11 . 1 1 178 178 ARG CA C 178 54.212 54.212 54.312 -0.100 18728 11116 1 11 . 1 1 178 178 ARG CB C 178 34.184 34.184 33.050 1.133 18728 11117 1 11 . 1 1 178 178 ARG H H 178 8.701 8.701 8.537 0.164 18728 11118 1 11 . 1 1 179 179 LYS N N 179 121.001 121.001 121.380 -0.379 18728 11119 1 11 . 1 1 179 179 LYS HA H 179 4.098 4.098 4.249 -0.151 18728 11120 1 11 . 1 1 179 179 LYS C C 179 176.026 176.026 176.231 -0.205 18728 11121 1 11 . 1 1 179 179 LYS CA C 179 59.027 59.027 56.934 2.093 18728 11122 1 11 . 1 1 179 179 LYS CB C 179 33.377 33.377 31.646 1.731 18728 11123 1 11 . 1 1 179 179 LYS H H 179 8.990 8.990 8.546 0.444 18728 11124 1 11 . 1 1 180 180 ALA N N 180 126.810 126.810 128.771 -1.961 18728 11125 1 11 . 1 1 180 180 ALA HA H 180 4.565 4.565 4.687 -0.122 18728 11126 1 11 . 1 1 180 180 ALA C C 180 175.318 175.318 176.050 -0.732 18728 11127 1 11 . 1 1 180 180 ALA CA C 180 51.432 51.432 51.018 0.414 18728 11128 1 11 . 1 1 180 180 ALA CB C 180 19.201 19.201 20.184 -0.983 18728 11129 1 11 . 1 1 180 180 ALA H H 180 8.378 8.378 8.485 -0.107 18728 11130 1 11 . 1 1 181 181 LEU N N 181 122.300 122.300 124.351 -2.051 18728 11131 1 11 . 1 1 181 181 LEU HA H 181 4.401 4.401 4.482 -0.081 18728 11132 1 11 . 1 1 181 181 LEU CA C 181 54.737 54.737 53.836 0.901 18728 11133 1 11 . 1 1 181 181 LEU CB C 181 43.199 43.199 43.307 -0.108 18728 11134 1 11 . 1 1 181 181 LEU H H 181 8.001 8.001 8.372 -0.371 18728 11135 1 11 . 1 1 182 182 SER HA H 182 4.406 4.406 4.389 0.017 18728 11136 1 11 . 1 1 182 182 SER CA C 182 58.100 58.100 58.303 -0.203 18728 11137 1 11 . 1 1 182 182 SER CB C 182 64.440 64.440 63.975 0.465 18728 11138 1 11 . 1 1 183 183 LYS HA H 183 4.101 4.101 3.935 0.166 18728 11139 1 11 . 1 1 183 183 LYS C C 183 177.343 177.343 178.687 -1.344 18728 11140 1 11 . 1 1 183 183 LYS CA C 183 57.744 57.744 59.709 -1.965 18728 11141 1 11 . 1 1 183 183 LYS CB C 183 32.586 32.586 32.016 0.570 18728 11142 1 11 . 1 1 184 184 GLN N N 184 120.056 120.056 116.397 3.659 18728 11143 1 11 . 1 1 184 184 GLN HA H 184 4.167 4.167 4.039 0.128 18728 11144 1 11 . 1 1 184 184 GLN C C 184 176.718 176.718 177.546 -0.828 18728 11145 1 11 . 1 1 184 184 GLN CA C 184 56.981 56.981 58.870 -1.889 18728 11146 1 11 . 1 1 184 184 GLN CB C 184 28.990 28.990 28.582 0.408 18728 11147 1 11 . 1 1 184 184 GLN H H 184 8.320 8.320 8.362 -0.042 18728 11148 1 11 . 1 1 185 185 GLU N N 185 121.610 121.610 118.374 3.236 18728 11149 1 11 . 1 1 185 185 GLU HA H 185 4.132 4.132 4.181 -0.049 18728 11150 1 11 . 1 1 185 185 GLU C C 185 177.117 177.117 178.975 -1.858 18728 11151 1 11 . 1 1 185 185 GLU CA C 185 57.234 57.234 57.877 -0.643 18728 11152 1 11 . 1 1 185 185 GLU CB C 185 30.235 30.235 29.493 0.742 18728 11153 1 11 . 1 1 185 185 GLU H H 185 8.143 8.143 7.722 0.421 18728 11154 1 11 . 1 1 186 186 MET N N 186 120.092 120.092 118.337 1.755 18728 11155 1 11 . 1 1 186 186 MET HA H 186 4.289 4.289 4.341 -0.052 18728 11156 1 11 . 1 1 186 186 MET C C 186 176.438 176.438 177.645 -1.207 18728 11157 1 11 . 1 1 186 186 MET CA C 186 56.069 56.069 57.754 -1.685 18728 11158 1 11 . 1 1 186 186 MET CB C 186 32.847 32.847 32.358 0.490 18728 11159 1 11 . 1 1 186 186 MET H H 186 8.195 8.195 8.391 -0.196 18728 11160 1 11 . 1 1 187 187 ALA N N 187 124.104 124.104 121.362 2.742 18728 11161 1 11 . 1 1 187 187 ALA HA H 187 4.297 4.297 4.257 0.040 18728 11162 1 11 . 1 1 187 187 ALA C C 187 178.107 178.107 177.635 0.472 18728 11163 1 11 . 1 1 187 187 ALA CA C 187 52.912 52.912 53.208 -0.296 18728 11164 1 11 . 1 1 187 187 ALA CB C 187 19.060 19.060 19.122 -0.062 18728 11165 1 11 . 1 1 187 187 ALA H H 187 8.060 8.060 7.773 0.287 18728 11166 1 11 . 1 1 188 188 SER N N 188 114.374 114.374 110.128 4.246 18728 11167 1 11 . 1 1 188 188 SER HA H 188 4.357 4.357 3.999 0.358 18728 11168 1 11 . 1 1 188 188 SER C C 188 174.757 174.757 173.953 0.804 18728 11169 1 11 . 1 1 188 188 SER CA C 188 58.598 58.598 59.367 -0.769 18728 11170 1 11 . 1 1 188 188 SER CB C 188 63.734 63.734 61.401 2.333 18728 11171 1 11 . 1 1 188 188 SER H H 188 8.173 8.173 7.903 0.270 18728 11172 1 11 . 1 1 189 189 ALA N N 189 125.637 125.637 122.714 2.923 18728 11173 1 11 . 1 1 189 189 ALA HA H 189 4.246 4.246 4.508 -0.262 18728 11174 1 11 . 1 1 189 189 ALA CA C 189 53.015 53.015 51.173 1.842 18728 11175 1 11 . 1 1 189 189 ALA CB C 189 19.069 19.069 21.441 -2.372 18728 11176 1 11 . 1 1 189 189 ALA H H 189 8.207 8.207 7.510 0.697 18728 11177 1 12 . 1 1 5 5 GLU N N 5 122.509 122.509 124.866 -2.357 18728 11178 1 12 . 1 1 5 5 GLU HA H 5 4.345 4.345 4.656 -0.311 18728 11179 1 12 . 1 1 5 5 GLU C C 5 176.240 176.240 175.295 0.945 18728 11180 1 12 . 1 1 5 5 GLU CA C 5 56.190 56.190 55.872 0.318 18728 11181 1 12 . 1 1 5 5 GLU CB C 5 30.611 30.611 32.125 -1.514 18728 11182 1 12 . 1 1 5 5 GLU H H 5 8.321 8.321 8.391 -0.070 18728 11183 1 12 . 1 1 6 6 SER N N 6 118.728 118.728 118.649 0.079 18728 11184 1 12 . 1 1 6 6 SER HA H 6 4.342 4.342 4.821 -0.479 18728 11185 1 12 . 1 1 6 6 SER CA C 6 56.305 56.305 56.435 -0.130 18728 11186 1 12 . 1 1 6 6 SER CB C 6 63.241 63.241 63.764 -0.523 18728 11187 1 12 . 1 1 6 6 SER H H 6 8.349 8.349 8.303 0.046 18728 11188 1 12 . 1 1 7 7 PRO HA H 7 4.427 4.427 4.652 -0.225 18728 11189 1 12 . 1 1 7 7 PRO C C 7 177.027 177.027 176.090 0.937 18728 11190 1 12 . 1 1 7 7 PRO CA C 7 63.271 63.271 62.547 0.724 18728 11191 1 12 . 1 1 7 7 PRO CB C 7 32.111 32.111 33.091 -0.980 18728 11192 1 12 . 1 1 8 8 LYS N N 8 121.819 121.819 119.548 2.271 18728 11193 1 12 . 1 1 8 8 LYS HA H 8 4.290 4.290 4.512 -0.222 18728 11194 1 12 . 1 1 8 8 LYS C C 8 177.015 177.015 175.807 1.208 18728 11195 1 12 . 1 1 8 8 LYS CA C 8 56.455 56.455 56.212 0.243 18728 11196 1 12 . 1 1 8 8 LYS CB C 8 33.341 33.341 32.756 0.585 18728 11197 1 12 . 1 1 8 8 LYS H H 8 8.445 8.445 8.456 -0.011 18728 11198 1 12 . 1 1 9 9 GLU N N 9 121.243 121.243 121.505 -0.262 18728 11199 1 12 . 1 1 9 9 GLU HA H 9 4.606 4.606 4.803 -0.197 18728 11200 1 12 . 1 1 9 9 GLU CA C 9 54.480 54.480 53.465 1.015 18728 11201 1 12 . 1 1 9 9 GLU CB C 9 29.572 29.572 29.542 0.030 18728 11202 1 12 . 1 1 9 9 GLU H H 9 8.313 8.313 7.887 0.426 18728 11203 1 12 . 1 1 10 10 PRO HA H 10 4.335 4.335 4.401 -0.066 18728 11204 1 12 . 1 1 10 10 PRO C C 10 177.491 177.491 177.973 -0.482 18728 11205 1 12 . 1 1 10 10 PRO CA C 10 63.587 63.587 62.439 1.148 18728 11206 1 12 . 1 1 10 10 PRO CB C 10 32.374 32.374 32.510 -0.136 18728 11207 1 12 . 1 1 11 11 GLU N N 11 123.071 123.071 120.747 2.324 18728 11208 1 12 . 1 1 11 11 GLU HA H 11 3.686 3.686 3.905 -0.219 18728 11209 1 12 . 1 1 11 11 GLU C C 11 177.984 177.984 177.928 0.056 18728 11210 1 12 . 1 1 11 11 GLU CA C 11 59.651 59.651 59.663 -0.012 18728 11211 1 12 . 1 1 11 11 GLU CB C 11 29.819 29.819 29.125 0.694 18728 11212 1 12 . 1 1 11 11 GLU H H 11 8.692 8.692 8.983 -0.291 18728 11213 1 12 . 1 1 12 12 GLN N N 12 116.079 116.079 118.289 -2.210 18728 11214 1 12 . 1 1 12 12 GLN HA H 12 3.979 3.979 4.179 -0.200 18728 11215 1 12 . 1 1 12 12 GLN C C 12 177.579 177.579 177.294 0.285 18728 11216 1 12 . 1 1 12 12 GLN CA C 12 58.526 58.526 57.646 0.880 18728 11217 1 12 . 1 1 12 12 GLN CB C 12 28.112 28.112 28.163 -0.051 18728 11218 1 12 . 1 1 12 12 GLN H H 12 8.647 8.647 8.328 0.319 18728 11219 1 12 . 1 1 13 13 LEU N N 13 116.530 116.530 118.922 -2.392 18728 11220 1 12 . 1 1 13 13 LEU HA H 13 4.264 4.264 4.377 -0.113 18728 11221 1 12 . 1 1 13 13 LEU C C 13 177.080 177.080 176.876 0.204 18728 11222 1 12 . 1 1 13 13 LEU CA C 13 55.945 55.945 56.250 -0.305 18728 11223 1 12 . 1 1 13 13 LEU CB C 13 42.317 42.317 42.375 -0.058 18728 11224 1 12 . 1 1 13 13 LEU H H 13 7.471 7.471 7.878 -0.407 18728 11225 1 12 . 1 1 14 14 ARG N N 14 116.981 116.981 113.809 3.172 18728 11226 1 12 . 1 1 14 14 ARG HA H 14 4.417 4.417 4.557 -0.140 18728 11227 1 12 . 1 1 14 14 ARG C C 14 172.996 172.996 175.846 -2.850 18728 11228 1 12 . 1 1 14 14 ARG CA C 14 56.067 56.067 55.699 0.368 18728 11229 1 12 . 1 1 14 14 ARG CB C 14 29.944 29.944 31.594 -1.650 18728 11230 1 12 . 1 1 14 14 ARG H H 14 7.576 7.576 7.602 -0.026 18728 11231 1 12 . 1 1 15 15 LYS N N 15 119.990 119.990 122.466 -2.476 18728 11232 1 12 . 1 1 15 15 LYS HA H 15 5.198 5.198 5.253 -0.055 18728 11233 1 12 . 1 1 15 15 LYS CA C 15 55.301 55.301 55.241 0.060 18728 11234 1 12 . 1 1 15 15 LYS CB C 15 35.888 35.888 35.436 0.452 18728 11235 1 12 . 1 1 15 15 LYS H H 15 6.946 6.946 8.315 -1.369 18728 11236 1 12 . 1 1 16 16 LEU N N 16 126.081 126.081 124.464 1.617 18728 11237 1 12 . 1 1 16 16 LEU HA H 16 5.016 5.016 5.100 -0.084 18728 11238 1 12 . 1 1 16 16 LEU C C 16 176.309 176.309 175.446 0.863 18728 11239 1 12 . 1 1 16 16 LEU CA C 16 53.334 53.334 53.244 0.090 18728 11240 1 12 . 1 1 16 16 LEU CB C 16 45.062 45.062 45.942 -0.880 18728 11241 1 12 . 1 1 16 16 LEU H H 16 9.605 9.605 8.988 0.617 18728 11242 1 12 . 1 1 17 17 PHE N N 17 123.569 123.569 124.757 -1.188 18728 11243 1 12 . 1 1 17 17 PHE HA H 17 4.585 4.585 5.184 -0.599 18728 11244 1 12 . 1 1 17 17 PHE C C 17 174.362 174.362 174.252 0.110 18728 11245 1 12 . 1 1 17 17 PHE CA C 17 57.153 57.153 55.926 1.227 18728 11246 1 12 . 1 1 17 17 PHE CB C 17 40.603 40.603 40.791 -0.188 18728 11247 1 12 . 1 1 17 17 PHE H H 17 9.023 9.023 9.285 -0.262 18728 11248 1 12 . 1 1 18 18 ILE N N 18 126.932 126.932 128.540 -1.608 18728 11249 1 12 . 1 1 18 18 ILE HA H 18 4.029 4.029 4.270 -0.241 18728 11250 1 12 . 1 1 18 18 ILE C C 18 173.832 173.832 175.016 -1.184 18728 11251 1 12 . 1 1 18 18 ILE CA C 18 59.156 59.156 58.125 1.031 18728 11252 1 12 . 1 1 18 18 ILE CB C 18 36.909 36.909 36.584 0.325 18728 11253 1 12 . 1 1 18 18 ILE H H 18 8.486 8.486 8.681 -0.195 18728 11254 1 12 . 1 1 19 19 GLY N N 19 112.953 112.953 112.743 0.210 18728 11255 1 12 . 1 1 19 19 GLY C C 19 174.426 174.426 173.816 0.610 18728 11256 1 12 . 1 1 19 19 GLY CA C 19 43.611 43.611 43.126 0.485 18728 11257 1 12 . 1 1 19 19 GLY H H 19 7.948 7.948 8.789 -0.841 18728 11258 1 12 . 1 1 20 20 GLY N N 20 107.584 107.584 110.611 -3.027 18728 11259 1 12 . 1 1 20 20 GLY C C 20 175.563 175.563 174.515 1.048 18728 11260 1 12 . 1 1 20 20 GLY CA C 20 46.530 46.530 45.128 1.402 18728 11261 1 12 . 1 1 20 20 GLY H H 20 8.542 8.542 8.115 0.427 18728 11262 1 12 . 1 1 21 21 LEU N N 21 115.232 115.232 119.645 -4.413 18728 11263 1 12 . 1 1 21 21 LEU HA H 21 4.025 4.025 4.255 -0.230 18728 11264 1 12 . 1 1 21 21 LEU C C 21 179.121 179.121 176.728 2.393 18728 11265 1 12 . 1 1 21 21 LEU CA C 21 54.192 54.192 54.571 -0.379 18728 11266 1 12 . 1 1 21 21 LEU CB C 21 42.892 42.892 42.630 0.262 18728 11267 1 12 . 1 1 21 21 LEU H H 21 7.472 7.472 8.066 -0.594 18728 11268 1 12 . 1 1 22 22 SER N N 22 114.737 114.737 114.419 0.318 18728 11269 1 12 . 1 1 22 22 SER HA H 22 4.125 4.125 4.476 -0.351 18728 11270 1 12 . 1 1 22 22 SER C C 22 177.842 177.842 175.461 2.381 18728 11271 1 12 . 1 1 22 22 SER CA C 22 57.635 57.635 57.879 -0.244 18728 11272 1 12 . 1 1 22 22 SER CB C 22 63.106 63.106 65.322 -2.216 18728 11273 1 12 . 1 1 22 22 SER H H 22 9.136 9.136 8.098 1.038 18728 11274 1 12 . 1 1 23 23 PHE N N 23 128.194 128.194 120.828 7.366 18728 11275 1 12 . 1 1 23 23 PHE HA H 23 4.307 4.307 4.584 -0.277 18728 11276 1 12 . 1 1 23 23 PHE C C 23 175.626 175.626 175.785 -0.159 18728 11277 1 12 . 1 1 23 23 PHE CA C 23 60.205 60.205 59.485 0.720 18728 11278 1 12 . 1 1 23 23 PHE CB C 23 37.570 37.570 39.586 -2.016 18728 11279 1 12 . 1 1 23 23 PHE H H 23 9.034 9.034 8.944 0.090 18728 11280 1 12 . 1 1 24 24 GLU N N 24 116.093 116.093 115.877 0.216 18728 11281 1 12 . 1 1 24 24 GLU HA H 24 4.255 4.255 4.481 -0.226 18728 11282 1 12 . 1 1 24 24 GLU C C 24 177.429 177.429 175.910 1.519 18728 11283 1 12 . 1 1 24 24 GLU CA C 24 56.522 56.522 55.252 1.270 18728 11284 1 12 . 1 1 24 24 GLU CB C 24 29.980 29.980 31.081 -1.101 18728 11285 1 12 . 1 1 24 24 GLU H H 24 8.295 8.295 7.730 0.565 18728 11286 1 12 . 1 1 25 25 THR N N 25 118.836 118.836 118.557 0.279 18728 11287 1 12 . 1 1 25 25 THR HA H 25 4.091 4.091 4.615 -0.524 18728 11288 1 12 . 1 1 25 25 THR C C 25 174.238 174.238 174.767 -0.529 18728 11289 1 12 . 1 1 25 25 THR CA C 25 64.862 64.862 63.670 1.192 18728 11290 1 12 . 1 1 25 25 THR CB C 25 68.584 68.584 69.141 -0.557 18728 11291 1 12 . 1 1 25 25 THR H H 25 7.280 7.280 7.370 -0.090 18728 11292 1 12 . 1 1 26 26 THR N N 26 119.434 119.434 117.488 1.946 18728 11293 1 12 . 1 1 26 26 THR HA H 26 4.484 4.484 4.539 -0.055 18728 11294 1 12 . 1 1 26 26 THR C C 26 174.563 174.563 174.841 -0.278 18728 11295 1 12 . 1 1 26 26 THR CA C 26 59.361 59.361 59.788 -0.427 18728 11296 1 12 . 1 1 26 26 THR CB C 26 72.727 72.727 71.010 1.717 18728 11297 1 12 . 1 1 26 26 THR H H 26 8.447 8.447 8.191 0.256 18728 11298 1 12 . 1 1 27 27 ASP N N 27 120.342 120.342 121.398 -1.056 18728 11299 1 12 . 1 1 27 27 ASP HA H 27 3.920 3.920 4.338 -0.418 18728 11300 1 12 . 1 1 27 27 ASP C C 27 178.347 178.347 177.591 0.756 18728 11301 1 12 . 1 1 27 27 ASP CA C 27 58.148 58.148 57.025 1.123 18728 11302 1 12 . 1 1 27 27 ASP CB C 27 39.954 39.954 40.639 -0.685 18728 11303 1 12 . 1 1 27 27 ASP H H 27 8.794 8.794 8.851 -0.057 18728 11304 1 12 . 1 1 28 28 GLU N N 28 116.494 116.494 118.849 -2.355 18728 11305 1 12 . 1 1 28 28 GLU HA H 28 3.993 3.993 4.088 -0.095 18728 11306 1 12 . 1 1 28 28 GLU C C 28 178.987 178.987 178.553 0.434 18728 11307 1 12 . 1 1 28 28 GLU CA C 28 60.281 60.281 59.119 1.162 18728 11308 1 12 . 1 1 28 28 GLU CB C 28 29.193 29.193 29.113 0.080 18728 11309 1 12 . 1 1 28 28 GLU H H 28 8.444 8.444 8.804 -0.360 18728 11310 1 12 . 1 1 29 29 SER N N 29 120.532 120.532 116.899 3.633 18728 11311 1 12 . 1 1 29 29 SER HA H 29 4.333 4.333 4.347 -0.014 18728 11312 1 12 . 1 1 29 29 SER C C 29 178.125 178.125 176.499 1.626 18728 11313 1 12 . 1 1 29 29 SER CA C 29 61.720 61.720 61.438 0.282 18728 11314 1 12 . 1 1 29 29 SER H H 29 8.384 8.384 7.617 0.767 18728 11315 1 12 . 1 1 30 30 LEU N N 30 126.754 126.754 123.263 3.491 18728 11316 1 12 . 1 1 30 30 LEU HA H 30 4.080 4.080 4.141 -0.061 18728 11317 1 12 . 1 1 30 30 LEU C C 30 178.341 178.341 177.843 0.498 18728 11318 1 12 . 1 1 30 30 LEU CA C 30 58.073 58.073 57.794 0.279 18728 11319 1 12 . 1 1 30 30 LEU CB C 30 42.524 42.524 41.773 0.751 18728 11320 1 12 . 1 1 30 30 LEU H H 30 8.487 8.487 8.109 0.378 18728 11321 1 12 . 1 1 31 31 ARG N N 31 121.192 121.192 118.799 2.393 18728 11322 1 12 . 1 1 31 31 ARG HA H 31 3.863 3.863 3.866 -0.003 18728 11323 1 12 . 1 1 31 31 ARG C C 31 177.765 177.765 178.380 -0.615 18728 11324 1 12 . 1 1 31 31 ARG CA C 31 59.706 59.706 60.191 -0.485 18728 11325 1 12 . 1 1 31 31 ARG CB C 31 30.648 30.648 30.020 0.628 18728 11326 1 12 . 1 1 31 31 ARG H H 31 7.980 7.980 8.336 -0.356 18728 11327 1 12 . 1 1 32 32 SER N N 32 112.868 112.868 113.169 -0.301 18728 11328 1 12 . 1 1 32 32 SER HA H 32 4.104 4.104 4.336 -0.232 18728 11329 1 12 . 1 1 32 32 SER C C 32 176.416 176.416 176.506 -0.090 18728 11330 1 12 . 1 1 32 32 SER CA C 32 61.437 61.437 61.414 0.022 18728 11331 1 12 . 1 1 32 32 SER CB C 32 62.933 62.933 62.959 -0.026 18728 11332 1 12 . 1 1 32 32 SER H H 32 8.295 8.295 8.127 0.168 18728 11333 1 12 . 1 1 33 33 HIS N N 33 115.910 115.910 121.345 -5.435 18728 11334 1 12 . 1 1 33 33 HIS HA H 33 4.346 4.346 4.346 -0.000 18728 11335 1 12 . 1 1 33 33 HIS C C 33 177.510 177.510 177.765 -0.255 18728 11336 1 12 . 1 1 33 33 HIS CA C 33 60.373 60.373 59.724 0.649 18728 11337 1 12 . 1 1 33 33 HIS CB C 33 30.776 30.776 29.914 0.862 18728 11338 1 12 . 1 1 33 33 HIS H H 33 7.406 7.406 7.824 -0.418 18728 11339 1 12 . 1 1 34 34 PHE N N 34 113.562 113.562 118.611 -5.049 18728 11340 1 12 . 1 1 34 34 PHE HA H 34 4.526 4.526 4.795 -0.269 18728 11341 1 12 . 1 1 34 34 PHE C C 34 179.061 179.061 178.254 0.807 18728 11342 1 12 . 1 1 34 34 PHE CA C 34 64.104 64.104 61.471 2.633 18728 11343 1 12 . 1 1 34 34 PHE CB C 34 38.379 38.379 39.117 -0.738 18728 11344 1 12 . 1 1 34 34 PHE H H 34 8.227 8.227 8.165 0.062 18728 11345 1 12 . 1 1 35 35 GLU N N 35 124.490 124.490 119.927 4.563 18728 11346 1 12 . 1 1 35 35 GLU HA H 35 4.962 4.962 4.458 0.504 18728 11347 1 12 . 1 1 35 35 GLU C C 35 176.476 176.476 177.934 -1.458 18728 11348 1 12 . 1 1 35 35 GLU CA C 35 57.950 57.950 58.632 -0.681 18728 11349 1 12 . 1 1 35 35 GLU CB C 35 28.690 28.690 29.129 -0.439 18728 11350 1 12 . 1 1 35 35 GLU H H 35 9.219 9.219 8.776 0.443 18728 11351 1 12 . 1 1 36 36 GLN N N 36 116.596 116.596 117.361 -0.765 18728 11352 1 12 . 1 1 36 36 GLN HA H 36 3.706 3.706 4.013 -0.307 18728 11353 1 12 . 1 1 36 36 GLN C C 36 176.486 176.486 177.228 -0.742 18728 11354 1 12 . 1 1 36 36 GLN CA C 36 58.206 58.206 57.715 0.492 18728 11355 1 12 . 1 1 36 36 GLN CB C 36 27.731 27.731 28.408 -0.677 18728 11356 1 12 . 1 1 36 36 GLN H H 36 7.011 7.011 7.527 -0.516 18728 11357 1 12 . 1 1 37 37 TRP N N 37 114.690 114.690 117.629 -2.939 18728 11358 1 12 . 1 1 37 37 TRP HA H 37 4.481 4.481 4.843 -0.362 18728 11359 1 12 . 1 1 37 37 TRP C C 37 173.662 173.662 176.811 -3.149 18728 11360 1 12 . 1 1 37 37 TRP CA C 37 61.557 61.557 58.540 3.017 18728 11361 1 12 . 1 1 37 37 TRP CB C 37 29.074 29.074 31.485 -2.411 18728 11362 1 12 . 1 1 37 37 TRP H H 37 7.017 7.017 7.808 -0.791 18728 11363 1 12 . 1 1 38 38 GLY N N 38 105.060 105.060 104.830 0.230 18728 11364 1 12 . 1 1 38 38 GLY C C 38 171.596 171.596 172.463 -0.867 18728 11365 1 12 . 1 1 38 38 GLY CA C 38 45.545 45.545 45.581 -0.036 18728 11366 1 12 . 1 1 38 38 GLY H H 38 7.294 7.294 7.988 -0.694 18728 11367 1 12 . 1 1 39 39 THR N N 39 117.179 117.179 120.042 -2.863 18728 11368 1 12 . 1 1 39 39 THR HA H 39 4.231 4.231 4.273 -0.042 18728 11369 1 12 . 1 1 39 39 THR C C 39 173.760 173.760 174.218 -0.458 18728 11370 1 12 . 1 1 39 39 THR CA C 39 62.904 62.904 64.248 -1.344 18728 11371 1 12 . 1 1 39 39 THR CB C 39 69.813 69.813 69.282 0.531 18728 11372 1 12 . 1 1 39 39 THR H H 39 8.770 8.770 8.742 0.028 18728 11373 1 12 . 1 1 40 40 LEU N N 40 126.702 126.702 127.864 -1.162 18728 11374 1 12 . 1 1 40 40 LEU HA H 40 4.943 4.943 4.505 0.438 18728 11375 1 12 . 1 1 40 40 LEU C C 40 178.358 178.358 177.762 0.596 18728 11376 1 12 . 1 1 40 40 LEU CA C 40 52.969 52.969 54.480 -1.511 18728 11377 1 12 . 1 1 40 40 LEU CB C 40 41.893 41.893 42.818 -0.924 18728 11378 1 12 . 1 1 40 40 LEU H H 40 8.831 8.831 8.758 0.073 18728 11379 1 12 . 1 1 41 41 THR N N 41 117.175 117.175 113.366 3.809 18728 11380 1 12 . 1 1 41 41 THR HA H 41 4.197 4.197 4.472 -0.275 18728 11381 1 12 . 1 1 41 41 THR C C 41 175.050 175.050 174.457 0.593 18728 11382 1 12 . 1 1 41 41 THR CA C 41 62.668 62.668 62.139 0.529 18728 11383 1 12 . 1 1 41 41 THR CB C 41 67.618 67.618 70.399 -2.781 18728 11384 1 12 . 1 1 41 41 THR H H 41 8.926 8.926 9.003 -0.077 18728 11385 1 12 . 1 1 42 42 ASP N N 42 118.764 118.764 120.979 -2.215 18728 11386 1 12 . 1 1 42 42 ASP HA H 42 4.620 4.620 4.864 -0.244 18728 11387 1 12 . 1 1 42 42 ASP C C 42 174.637 174.637 173.607 1.030 18728 11388 1 12 . 1 1 42 42 ASP CA C 42 54.235 54.235 54.003 0.232 18728 11389 1 12 . 1 1 42 42 ASP CB C 42 44.253 44.253 43.841 0.412 18728 11390 1 12 . 1 1 42 42 ASP H H 42 7.513 7.513 7.827 -0.314 18728 11391 1 12 . 1 1 43 43 CYS N N 43 123.632 123.632 121.697 1.935 18728 11392 1 12 . 1 1 43 43 CYS HA H 43 4.842 4.842 5.141 -0.299 18728 11393 1 12 . 1 1 43 43 CYS C C 43 171.885 171.885 172.312 -0.427 18728 11394 1 12 . 1 1 43 43 CYS CA C 43 59.376 59.376 57.974 1.402 18728 11395 1 12 . 1 1 43 43 CYS CB C 43 26.377 26.377 30.198 -3.821 18728 11396 1 12 . 1 1 43 43 CYS H H 43 8.436 8.436 8.617 -0.181 18728 11397 1 12 . 1 1 44 44 VAL N N 44 126.787 126.787 126.417 0.370 18728 11398 1 12 . 1 1 44 44 VAL HA H 44 4.576 4.576 4.548 0.028 18728 11399 1 12 . 1 1 44 44 VAL C C 44 173.371 173.371 173.523 -0.152 18728 11400 1 12 . 1 1 44 44 VAL CA C 44 60.151 60.151 61.040 -0.889 18728 11401 1 12 . 1 1 44 44 VAL CB C 44 36.424 36.424 35.824 0.600 18728 11402 1 12 . 1 1 44 44 VAL H H 44 8.737 8.737 8.764 -0.027 18728 11403 1 12 . 1 1 45 45 VAL N N 45 125.522 125.522 128.285 -2.763 18728 11404 1 12 . 1 1 45 45 VAL HA H 45 3.711 3.711 4.113 -0.402 18728 11405 1 12 . 1 1 45 45 VAL C C 45 176.674 176.674 174.755 1.919 18728 11406 1 12 . 1 1 45 45 VAL CA C 45 62.509 62.509 62.218 0.291 18728 11407 1 12 . 1 1 45 45 VAL CB C 45 33.175 33.175 33.008 0.167 18728 11408 1 12 . 1 1 45 45 VAL H H 45 8.269 8.269 8.537 -0.268 18728 11409 1 12 . 1 1 46 46 MET N N 46 126.833 126.833 128.944 -2.111 18728 11410 1 12 . 1 1 46 46 MET HA H 46 4.441 4.441 4.432 0.009 18728 11411 1 12 . 1 1 46 46 MET C C 46 175.413 175.413 174.753 0.660 18728 11412 1 12 . 1 1 46 46 MET CA C 46 54.852 54.852 54.137 0.715 18728 11413 1 12 . 1 1 46 46 MET CB C 46 30.454 30.454 29.863 0.591 18728 11414 1 12 . 1 1 46 46 MET H H 46 8.445 8.445 8.224 0.221 18728 11415 1 12 . 1 1 47 47 ARG N N 47 120.697 120.697 123.292 -2.595 18728 11416 1 12 . 1 1 47 47 ARG HA H 47 4.838 4.838 4.591 0.247 18728 11417 1 12 . 1 1 47 47 ARG CA C 47 54.308 54.308 54.609 -0.301 18728 11418 1 12 . 1 1 47 47 ARG CB C 47 34.048 34.048 32.368 1.680 18728 11419 1 12 . 1 1 47 47 ARG H H 47 8.308 8.308 7.861 0.447 18728 11420 1 12 . 1 1 48 48 ASP N N 48 125.146 125.146 121.749 3.397 18728 11421 1 12 . 1 1 48 48 ASP HA H 48 4.686 4.686 4.871 -0.185 18728 11422 1 12 . 1 1 48 48 ASP C C 48 176.046 176.046 175.890 0.156 18728 11423 1 12 . 1 1 48 48 ASP CA C 48 52.106 52.106 51.404 0.702 18728 11424 1 12 . 1 1 48 48 ASP CB C 48 42.878 42.878 41.834 1.044 18728 11425 1 12 . 1 1 48 48 ASP H H 48 8.577 8.577 8.460 0.117 18728 11426 1 12 . 1 1 49 49 PRO HA H 49 4.310 4.310 4.349 -0.039 18728 11427 1 12 . 1 1 49 49 PRO C C 49 177.166 177.166 176.470 0.696 18728 11428 1 12 . 1 1 49 49 PRO CA C 49 64.584 64.584 64.247 0.337 18728 11429 1 12 . 1 1 49 49 PRO CB C 49 32.136 32.136 31.761 0.375 18728 11430 1 12 . 1 1 50 50 ASN N N 50 115.474 115.474 117.047 -1.573 18728 11431 1 12 . 1 1 50 50 ASN HA H 50 4.723 4.723 4.650 0.073 18728 11432 1 12 . 1 1 50 50 ASN C C 50 176.642 176.642 176.579 0.063 18728 11433 1 12 . 1 1 50 50 ASN CA C 50 55.444 55.444 55.214 0.230 18728 11434 1 12 . 1 1 50 50 ASN CB C 50 39.455 39.455 39.538 -0.083 18728 11435 1 12 . 1 1 50 50 ASN H H 50 8.560 8.560 8.216 0.344 18728 11436 1 12 . 1 1 51 51 THR N N 51 108.788 108.788 113.632 -4.844 18728 11437 1 12 . 1 1 51 51 THR HA H 51 4.264 4.264 4.506 -0.242 18728 11438 1 12 . 1 1 51 51 THR C C 51 176.018 176.018 173.734 2.284 18728 11439 1 12 . 1 1 51 51 THR CA C 51 62.063 62.063 62.410 -0.347 18728 11440 1 12 . 1 1 51 51 THR CB C 51 70.768 70.768 70.152 0.616 18728 11441 1 12 . 1 1 51 51 THR H H 51 8.277 8.277 8.525 -0.248 18728 11442 1 12 . 1 1 52 52 LYS N N 52 114.615 114.615 116.687 -2.072 18728 11443 1 12 . 1 1 52 52 LYS HA H 52 3.917 3.917 4.012 -0.095 18728 11444 1 12 . 1 1 52 52 LYS C C 52 175.376 175.376 174.935 0.441 18728 11445 1 12 . 1 1 52 52 LYS CA C 52 57.902 57.902 56.840 1.062 18728 11446 1 12 . 1 1 52 52 LYS CB C 52 29.293 29.293 29.663 -0.370 18728 11447 1 12 . 1 1 52 52 LYS H H 52 8.091 8.091 8.054 0.037 18728 11448 1 12 . 1 1 53 53 ARG N N 53 120.395 120.395 116.620 3.775 18728 11449 1 12 . 1 1 53 53 ARG HA H 53 4.169 4.169 4.388 -0.219 18728 11450 1 12 . 1 1 53 53 ARG C C 53 176.619 176.619 175.613 1.006 18728 11451 1 12 . 1 1 53 53 ARG CA C 53 56.233 56.233 52.921 3.312 18728 11452 1 12 . 1 1 53 53 ARG CB C 53 31.045 31.045 32.377 -1.332 18728 11453 1 12 . 1 1 53 53 ARG H H 53 7.847 7.847 7.364 0.483 18728 11454 1 12 . 1 1 54 54 SER N N 54 116.987 116.987 115.696 1.291 18728 11455 1 12 . 1 1 54 54 SER HA H 54 4.186 4.186 4.162 0.024 18728 11456 1 12 . 1 1 54 54 SER C C 54 175.755 175.755 175.417 0.338 18728 11457 1 12 . 1 1 54 54 SER CA C 54 58.559 58.559 58.721 -0.162 18728 11458 1 12 . 1 1 54 54 SER CB C 54 63.922 63.922 63.687 0.235 18728 11459 1 12 . 1 1 54 54 SER H H 54 8.810 8.810 7.802 1.008 18728 11460 1 12 . 1 1 55 55 ARG N N 55 123.427 123.427 127.650 -4.223 18728 11461 1 12 . 1 1 55 55 ARG HA H 55 4.403 4.403 4.291 0.112 18728 11462 1 12 . 1 1 55 55 ARG C C 55 177.962 177.962 176.881 1.081 18728 11463 1 12 . 1 1 55 55 ARG CA C 55 56.096 56.096 56.114 -0.017 18728 11464 1 12 . 1 1 55 55 ARG CB C 55 31.294 31.294 30.265 1.029 18728 11465 1 12 . 1 1 55 55 ARG H H 55 8.976 8.976 8.527 0.449 18728 11466 1 12 . 1 1 56 56 GLY N N 56 107.308 107.308 106.760 0.548 18728 11467 1 12 . 1 1 56 56 GLY C C 56 171.856 171.856 173.290 -1.434 18728 11468 1 12 . 1 1 56 56 GLY CA C 56 45.669 45.669 45.223 0.446 18728 11469 1 12 . 1 1 56 56 GLY H H 56 9.375 9.375 8.112 1.263 18728 11470 1 12 . 1 1 57 57 PHE N N 57 112.537 112.537 115.156 -2.619 18728 11471 1 12 . 1 1 57 57 PHE HA H 57 5.201 5.201 5.446 -0.245 18728 11472 1 12 . 1 1 57 57 PHE C C 57 172.646 172.646 172.949 -0.303 18728 11473 1 12 . 1 1 57 57 PHE CA C 57 54.918 54.918 54.897 0.021 18728 11474 1 12 . 1 1 57 57 PHE CB C 57 41.743 41.743 40.979 0.764 18728 11475 1 12 . 1 1 57 57 PHE H H 57 7.044 7.044 7.131 -0.087 18728 11476 1 12 . 1 1 58 58 GLY N N 58 106.816 106.816 106.341 0.475 18728 11477 1 12 . 1 1 58 58 GLY C C 58 169.931 169.931 171.147 -1.216 18728 11478 1 12 . 1 1 58 58 GLY CA C 58 45.304 45.304 44.505 0.799 18728 11479 1 12 . 1 1 58 58 GLY H H 58 8.345 8.345 8.257 0.088 18728 11480 1 12 . 1 1 59 59 PHE N N 59 115.179 115.179 115.708 -0.529 18728 11481 1 12 . 1 1 59 59 PHE HA H 59 5.645 5.645 5.650 -0.005 18728 11482 1 12 . 1 1 59 59 PHE C C 59 174.929 174.929 174.394 0.535 18728 11483 1 12 . 1 1 59 59 PHE CA C 59 56.541 56.541 56.269 0.272 18728 11484 1 12 . 1 1 59 59 PHE CB C 59 43.984 43.984 43.957 0.027 18728 11485 1 12 . 1 1 59 59 PHE H H 59 8.903 8.903 8.372 0.531 18728 11486 1 12 . 1 1 60 60 VAL N N 60 115.310 115.310 116.575 -1.265 18728 11487 1 12 . 1 1 60 60 VAL HA H 60 4.540 4.540 4.712 -0.172 18728 11488 1 12 . 1 1 60 60 VAL C C 60 173.246 173.246 175.276 -2.030 18728 11489 1 12 . 1 1 60 60 VAL CA C 60 59.421 59.421 60.436 -1.015 18728 11490 1 12 . 1 1 60 60 VAL CB C 60 34.678 34.678 33.666 1.012 18728 11491 1 12 . 1 1 60 60 VAL H H 60 8.569 8.569 8.885 -0.316 18728 11492 1 12 . 1 1 61 61 THR N N 61 120.158 120.158 123.453 -3.295 18728 11493 1 12 . 1 1 61 61 THR HA H 61 5.068 5.068 4.801 0.267 18728 11494 1 12 . 1 1 61 61 THR C C 61 173.985 173.985 174.008 -0.023 18728 11495 1 12 . 1 1 61 61 THR CA C 61 61.033 61.033 61.913 -0.880 18728 11496 1 12 . 1 1 61 61 THR CB C 61 70.114 70.114 69.192 0.922 18728 11497 1 12 . 1 1 61 61 THR H H 61 8.180 8.180 8.835 -0.655 18728 11498 1 12 . 1 1 62 62 TYR N N 62 125.280 125.280 126.457 -1.177 18728 11499 1 12 . 1 1 62 62 TYR HA H 62 5.357 5.357 4.795 0.562 18728 11500 1 12 . 1 1 62 62 TYR C C 62 176.696 176.696 176.425 0.271 18728 11501 1 12 . 1 1 62 62 TYR CA C 62 58.297 58.297 58.948 -0.651 18728 11502 1 12 . 1 1 62 62 TYR CB C 62 42.217 42.217 40.120 2.097 18728 11503 1 12 . 1 1 62 62 TYR H H 62 8.407 8.407 9.297 -0.890 18728 11504 1 12 . 1 1 63 63 ALA N N 63 121.648 121.648 122.759 -1.111 18728 11505 1 12 . 1 1 63 63 ALA HA H 63 4.052 4.052 4.308 -0.256 18728 11506 1 12 . 1 1 63 63 ALA C C 63 178.252 178.252 177.232 1.020 18728 11507 1 12 . 1 1 63 63 ALA CA C 63 55.269 55.269 54.036 1.233 18728 11508 1 12 . 1 1 63 63 ALA CB C 63 19.068 19.068 19.424 -0.356 18728 11509 1 12 . 1 1 63 63 ALA H H 63 8.749 8.749 8.804 -0.055 18728 11510 1 12 . 1 1 64 64 THR N N 64 105.238 105.238 110.653 -5.415 18728 11511 1 12 . 1 1 64 64 THR HA H 64 4.902 4.902 4.631 0.271 18728 11512 1 12 . 1 1 64 64 THR C C 64 174.667 174.667 174.566 0.101 18728 11513 1 12 . 1 1 64 64 THR CA C 64 59.184 59.184 60.899 -1.715 18728 11514 1 12 . 1 1 64 64 THR CB C 64 73.193 73.193 72.612 0.581 18728 11515 1 12 . 1 1 64 64 THR H H 64 7.992 7.992 7.449 0.543 18728 11516 1 12 . 1 1 65 65 VAL N N 65 120.939 120.939 123.510 -2.571 18728 11517 1 12 . 1 1 65 65 VAL HA H 65 3.670 3.670 3.783 -0.113 18728 11518 1 12 . 1 1 65 65 VAL C C 65 177.446 177.446 177.080 0.366 18728 11519 1 12 . 1 1 65 65 VAL CA C 65 65.535 65.535 65.001 0.534 18728 11520 1 12 . 1 1 65 65 VAL CB C 65 31.538 31.538 32.345 -0.807 18728 11521 1 12 . 1 1 65 65 VAL H H 65 8.968 8.968 8.529 0.439 18728 11522 1 12 . 1 1 66 66 GLU N N 66 120.818 120.818 118.725 2.093 18728 11523 1 12 . 1 1 66 66 GLU HA H 66 4.045 4.045 3.901 0.144 18728 11524 1 12 . 1 1 66 66 GLU C C 66 180.056 180.056 178.683 1.373 18728 11525 1 12 . 1 1 66 66 GLU CA C 66 60.430 60.430 60.167 0.263 18728 11526 1 12 . 1 1 66 66 GLU CB C 66 28.909 28.909 28.717 0.192 18728 11527 1 12 . 1 1 66 66 GLU H H 66 8.686 8.686 8.835 -0.149 18728 11528 1 12 . 1 1 67 67 GLU N N 67 120.729 120.729 117.879 2.850 18728 11529 1 12 . 1 1 67 67 GLU HA H 67 3.853 3.853 4.026 -0.173 18728 11530 1 12 . 1 1 67 67 GLU C C 67 177.040 177.040 178.545 -1.505 18728 11531 1 12 . 1 1 67 67 GLU CA C 67 59.391 59.391 58.812 0.579 18728 11532 1 12 . 1 1 67 67 GLU CB C 67 29.590 29.590 29.014 0.576 18728 11533 1 12 . 1 1 67 67 GLU H H 67 7.487 7.487 7.548 -0.061 18728 11534 1 12 . 1 1 68 68 VAL N N 68 118.408 118.408 119.804 -1.396 18728 11535 1 12 . 1 1 68 68 VAL HA H 68 3.165 3.165 3.145 0.020 18728 11536 1 12 . 1 1 68 68 VAL C C 68 178.293 178.293 177.449 0.844 18728 11537 1 12 . 1 1 68 68 VAL CA C 68 66.391 66.391 66.392 -0.001 18728 11538 1 12 . 1 1 68 68 VAL CB C 68 31.092 31.092 31.482 -0.390 18728 11539 1 12 . 1 1 68 68 VAL H H 68 6.882 6.882 7.155 -0.273 18728 11540 1 12 . 1 1 69 69 ASP N N 69 119.356 119.356 120.350 -0.994 18728 11541 1 12 . 1 1 69 69 ASP HA H 69 4.128 4.128 4.170 -0.042 18728 11542 1 12 . 1 1 69 69 ASP C C 69 178.765 178.765 178.249 0.516 18728 11543 1 12 . 1 1 69 69 ASP CA C 69 57.394 57.394 57.848 -0.454 18728 11544 1 12 . 1 1 69 69 ASP CB C 69 39.879 39.879 40.903 -1.024 18728 11545 1 12 . 1 1 69 69 ASP H H 69 8.109 8.109 7.884 0.225 18728 11546 1 12 . 1 1 70 70 ALA N N 70 123.031 123.031 121.123 1.908 18728 11547 1 12 . 1 1 70 70 ALA HA H 70 4.070 4.070 4.042 0.028 18728 11548 1 12 . 1 1 70 70 ALA C C 70 180.518 180.518 179.428 1.090 18728 11549 1 12 . 1 1 70 70 ALA CA C 70 55.209 55.209 55.160 0.049 18728 11550 1 12 . 1 1 70 70 ALA CB C 70 18.104 18.104 18.304 -0.200 18728 11551 1 12 . 1 1 70 70 ALA H H 70 7.736 7.736 7.884 -0.148 18728 11552 1 12 . 1 1 71 71 ALA N N 71 121.446 121.446 119.971 1.475 18728 11553 1 12 . 1 1 71 71 ALA HA H 71 3.034 3.034 3.883 -0.849 18728 11554 1 12 . 1 1 71 71 ALA C C 71 182.248 182.248 179.777 2.471 18728 11555 1 12 . 1 1 71 71 ALA CA C 71 55.251 55.251 54.611 0.640 18728 11556 1 12 . 1 1 71 71 ALA CB C 71 17.976 17.976 18.392 -0.416 18728 11557 1 12 . 1 1 71 71 ALA H H 71 8.101 8.101 7.190 0.911 18728 11558 1 12 . 1 1 72 72 MET N N 72 118.027 118.027 117.907 0.120 18728 11559 1 12 . 1 1 72 72 MET HA H 72 4.430 4.430 4.128 0.302 18728 11560 1 12 . 1 1 72 72 MET C C 72 179.409 179.409 178.559 0.850 18728 11561 1 12 . 1 1 72 72 MET CA C 72 56.379 56.379 58.656 -2.277 18728 11562 1 12 . 1 1 72 72 MET CB C 72 30.498 30.498 31.814 -1.316 18728 11563 1 12 . 1 1 72 72 MET H H 72 8.681 8.681 8.042 0.639 18728 11564 1 12 . 1 1 73 73 ASN N N 73 119.415 119.415 117.675 1.740 18728 11565 1 12 . 1 1 73 73 ASN HA H 73 4.627 4.627 4.531 0.096 18728 11566 1 12 . 1 1 73 73 ASN C C 73 175.014 175.014 177.367 -2.353 18728 11567 1 12 . 1 1 73 73 ASN CA C 73 54.323 54.323 55.997 -1.674 18728 11568 1 12 . 1 1 73 73 ASN CB C 73 38.468 38.468 38.522 -0.054 18728 11569 1 12 . 1 1 73 73 ASN H H 73 8.096 8.096 8.238 -0.142 18728 11570 1 12 . 1 1 74 74 ALA N N 74 122.253 122.253 121.786 0.467 18728 11571 1 12 . 1 1 74 74 ALA HA H 74 4.299 4.299 4.131 0.168 18728 11572 1 12 . 1 1 74 74 ALA C C 74 175.305 175.305 177.245 -1.940 18728 11573 1 12 . 1 1 74 74 ALA CA C 74 51.273 51.273 52.319 -1.046 18728 11574 1 12 . 1 1 74 74 ALA CB C 74 18.922 18.922 18.801 0.121 18728 11575 1 12 . 1 1 74 74 ALA H H 74 6.966 6.966 7.532 -0.566 18728 11576 1 12 . 1 1 75 75 ARG N N 75 116.833 116.833 119.863 -3.030 18728 11577 1 12 . 1 1 75 75 ARG HA H 75 3.608 3.608 4.102 -0.494 18728 11578 1 12 . 1 1 75 75 ARG CA C 75 55.086 55.086 55.068 0.018 18728 11579 1 12 . 1 1 75 75 ARG CB C 75 30.199 30.199 29.788 0.411 18728 11580 1 12 . 1 1 75 75 ARG H H 75 6.749 6.749 7.206 -0.457 18728 11581 1 12 . 1 1 76 76 PRO HA H 76 4.434 4.434 4.557 -0.123 18728 11582 1 12 . 1 1 76 76 PRO C C 76 175.590 175.590 175.714 -0.124 18728 11583 1 12 . 1 1 76 76 PRO CA C 76 61.614 61.614 62.417 -0.803 18728 11584 1 12 . 1 1 76 76 PRO CB C 76 34.982 34.982 33.786 1.196 18728 11585 1 12 . 1 1 77 77 HIS N N 77 122.039 122.039 116.754 5.285 18728 11586 1 12 . 1 1 77 77 HIS HA H 77 4.559 4.559 4.916 -0.357 18728 11587 1 12 . 1 1 77 77 HIS C C 77 173.137 173.137 173.622 -0.485 18728 11588 1 12 . 1 1 77 77 HIS CA C 77 56.231 56.231 55.317 0.914 18728 11589 1 12 . 1 1 77 77 HIS CB C 77 32.909 32.909 34.099 -1.190 18728 11590 1 12 . 1 1 77 77 HIS H H 77 9.384 9.384 8.192 1.192 18728 11591 1 12 . 1 1 78 78 LYS N N 78 125.607 125.607 122.876 2.731 18728 11592 1 12 . 1 1 78 78 LYS HA H 78 4.939 4.939 5.223 -0.284 18728 11593 1 12 . 1 1 78 78 LYS C C 78 174.858 174.858 174.869 -0.011 18728 11594 1 12 . 1 1 78 78 LYS CA C 78 54.755 54.755 55.495 -0.739 18728 11595 1 12 . 1 1 78 78 LYS CB C 78 33.475 33.475 34.871 -1.396 18728 11596 1 12 . 1 1 78 78 LYS H H 78 8.485 8.485 8.579 -0.094 18728 11597 1 12 . 1 1 79 79 VAL N N 79 124.596 124.596 125.850 -1.254 18728 11598 1 12 . 1 1 79 79 VAL HA H 79 3.955 3.955 4.075 -0.120 18728 11599 1 12 . 1 1 79 79 VAL C C 79 176.295 176.295 175.310 0.985 18728 11600 1 12 . 1 1 79 79 VAL CA C 79 60.737 60.737 61.154 -0.417 18728 11601 1 12 . 1 1 79 79 VAL CB C 79 33.249 33.249 33.748 -0.499 18728 11602 1 12 . 1 1 79 79 VAL H H 79 8.581 8.581 8.265 0.316 18728 11603 1 12 . 1 1 80 80 ASP N N 80 128.668 128.668 126.458 2.210 18728 11604 1 12 . 1 1 80 80 ASP HA H 80 4.228 4.228 4.361 -0.133 18728 11605 1 12 . 1 1 80 80 ASP C C 80 175.744 175.744 176.195 -0.451 18728 11606 1 12 . 1 1 80 80 ASP CA C 80 55.882 55.882 55.184 0.698 18728 11607 1 12 . 1 1 80 80 ASP CB C 80 39.692 39.692 39.916 -0.224 18728 11608 1 12 . 1 1 80 80 ASP H H 80 9.553 9.553 9.321 0.232 18728 11609 1 12 . 1 1 81 81 GLY N N 81 101.527 101.527 104.234 -2.707 18728 11610 1 12 . 1 1 81 81 GLY C C 81 173.560 173.560 173.582 -0.022 18728 11611 1 12 . 1 1 81 81 GLY CA C 81 45.445 45.445 45.321 0.124 18728 11612 1 12 . 1 1 81 81 GLY H H 81 8.488 8.488 8.585 -0.097 18728 11613 1 12 . 1 1 82 82 ARG N N 82 120.493 120.493 119.511 0.982 18728 11614 1 12 . 1 1 82 82 ARG HA H 82 4.640 4.640 4.635 0.005 18728 11615 1 12 . 1 1 82 82 ARG C C 82 174.512 174.512 174.222 0.290 18728 11616 1 12 . 1 1 82 82 ARG CA C 82 53.161 53.161 54.705 -1.544 18728 11617 1 12 . 1 1 82 82 ARG CB C 82 32.507 32.507 33.627 -1.119 18728 11618 1 12 . 1 1 82 82 ARG H H 82 7.555 7.555 7.402 0.153 18728 11619 1 12 . 1 1 83 83 VAL N N 83 124.855 124.855 125.857 -1.002 18728 11620 1 12 . 1 1 83 83 VAL HA H 83 4.501 4.501 4.526 -0.025 18728 11621 1 12 . 1 1 83 83 VAL C C 83 176.701 176.701 174.824 1.877 18728 11622 1 12 . 1 1 83 83 VAL CA C 83 63.290 63.290 61.540 1.750 18728 11623 1 12 . 1 1 83 83 VAL CB C 83 30.867 30.867 33.013 -2.146 18728 11624 1 12 . 1 1 83 83 VAL H H 83 8.633 8.633 8.541 0.092 18728 11625 1 12 . 1 1 84 84 VAL N N 84 122.944 122.944 126.200 -3.256 18728 11626 1 12 . 1 1 84 84 VAL HA H 84 4.667 4.667 4.993 -0.326 18728 11627 1 12 . 1 1 84 84 VAL C C 84 174.969 174.969 174.415 0.554 18728 11628 1 12 . 1 1 84 84 VAL CA C 84 59.499 59.499 59.152 0.347 18728 11629 1 12 . 1 1 84 84 VAL CB C 84 32.761 32.761 34.326 -1.565 18728 11630 1 12 . 1 1 84 84 VAL H H 84 8.391 8.391 8.790 -0.399 18728 11631 1 12 . 1 1 85 85 GLU N N 85 120.907 120.907 123.846 -2.939 18728 11632 1 12 . 1 1 85 85 GLU HA H 85 5.087 5.087 5.001 0.086 18728 11633 1 12 . 1 1 85 85 GLU CA C 85 52.949 52.949 52.346 0.603 18728 11634 1 12 . 1 1 85 85 GLU CB C 85 31.367 31.367 31.078 0.289 18728 11635 1 12 . 1 1 85 85 GLU H H 85 8.681 8.681 9.177 -0.496 18728 11636 1 12 . 1 1 86 86 PRO HA H 86 5.383 5.383 4.729 0.654 18728 11637 1 12 . 1 1 86 86 PRO C C 86 175.908 175.908 176.079 -0.171 18728 11638 1 12 . 1 1 86 86 PRO CA C 86 61.444 61.444 62.688 -1.244 18728 11639 1 12 . 1 1 86 86 PRO CB C 86 32.657 32.657 32.197 0.460 18728 11640 1 12 . 1 1 87 87 LYS N N 87 121.252 121.252 120.848 0.404 18728 11641 1 12 . 1 1 87 87 LYS HA H 87 4.688 4.688 5.103 -0.415 18728 11642 1 12 . 1 1 87 87 LYS C C 87 175.676 175.676 175.859 -0.183 18728 11643 1 12 . 1 1 87 87 LYS CA C 87 55.101 55.101 53.867 1.234 18728 11644 1 12 . 1 1 87 87 LYS CB C 87 36.608 36.608 36.749 -0.141 18728 11645 1 12 . 1 1 87 87 LYS H H 87 9.397 9.397 8.819 0.578 18728 11646 1 12 . 1 1 88 88 ARG N N 88 123.272 123.272 121.224 2.048 18728 11647 1 12 . 1 1 88 88 ARG HA H 88 4.375 4.375 4.538 -0.163 18728 11648 1 12 . 1 1 88 88 ARG C C 88 177.011 177.011 176.168 0.843 18728 11649 1 12 . 1 1 88 88 ARG CA C 88 57.209 57.209 55.974 1.235 18728 11650 1 12 . 1 1 88 88 ARG CB C 88 30.452 30.452 31.579 -1.127 18728 11651 1 12 . 1 1 88 88 ARG H H 88 8.940 8.940 8.851 0.089 18728 11652 1 12 . 1 1 89 89 ALA N N 89 126.260 126.260 130.975 -4.715 18728 11653 1 12 . 1 1 89 89 ALA HA H 89 4.259 4.259 4.553 -0.294 18728 11654 1 12 . 1 1 89 89 ALA C C 89 177.452 177.452 176.728 0.724 18728 11655 1 12 . 1 1 89 89 ALA CA C 89 53.712 53.712 52.283 1.429 18728 11656 1 12 . 1 1 89 89 ALA CB C 89 18.824 18.824 18.717 0.107 18728 11657 1 12 . 1 1 89 89 ALA H H 89 8.424 8.424 8.259 0.165 18728 11658 1 12 . 1 1 90 90 VAL N N 90 115.835 115.835 123.272 -7.437 18728 11659 1 12 . 1 1 90 90 VAL HA H 90 4.182 4.182 3.860 0.322 18728 11660 1 12 . 1 1 90 90 VAL C C 90 175.397 175.397 176.088 -0.691 18728 11661 1 12 . 1 1 90 90 VAL CA C 90 61.516 61.516 63.025 -1.509 18728 11662 1 12 . 1 1 90 90 VAL CB C 90 33.448 33.448 31.375 2.073 18728 11663 1 12 . 1 1 90 90 VAL H H 90 7.892 7.892 7.940 -0.048 18728 11664 1 12 . 1 1 91 91 SER N N 91 119.224 119.224 121.663 -2.439 18728 11665 1 12 . 1 1 91 91 SER HA H 91 4.420 4.420 4.467 -0.047 18728 11666 1 12 . 1 1 91 91 SER CA C 91 57.888 57.888 57.319 0.569 18728 11667 1 12 . 1 1 91 91 SER CB C 91 63.788 63.788 64.490 -0.702 18728 11668 1 12 . 1 1 91 91 SER H H 91 8.327 8.327 8.871 -0.544 18728 11669 1 12 . 1 1 92 92 ARG HA H 92 4.231 4.231 4.044 0.187 18728 11670 1 12 . 1 1 92 92 ARG C C 92 176.651 176.651 177.792 -1.141 18728 11671 1 12 . 1 1 92 92 ARG CA C 92 56.671 56.671 59.365 -2.694 18728 11672 1 12 . 1 1 92 92 ARG CB C 92 30.776 30.776 29.976 0.800 18728 11673 1 12 . 1 1 92 92 ARG H H 92 8.425 8.425 8.832 -0.407 18728 11674 1 12 . 1 1 93 93 GLU N N 93 121.483 121.483 117.083 4.400 18728 11675 1 12 . 1 1 93 93 GLU HA H 93 4.181 4.181 4.221 -0.040 18728 11676 1 12 . 1 1 93 93 GLU C C 93 176.605 176.605 177.998 -1.393 18728 11677 1 12 . 1 1 93 93 GLU CA C 93 57.185 57.185 58.891 -1.706 18728 11678 1 12 . 1 1 93 93 GLU CB C 93 30.015 30.015 29.456 0.559 18728 11679 1 12 . 1 1 93 93 GLU H H 93 8.503 8.503 8.808 -0.305 18728 11680 1 12 . 1 1 94 94 ASP N N 94 121.305 121.305 117.580 3.725 18728 11681 1 12 . 1 1 94 94 ASP HA H 94 4.540 4.540 4.510 0.030 18728 11682 1 12 . 1 1 94 94 ASP C C 94 176.744 176.744 177.283 -0.539 18728 11683 1 12 . 1 1 94 94 ASP CA C 94 54.678 54.678 55.802 -1.124 18728 11684 1 12 . 1 1 94 94 ASP CB C 94 41.183 41.183 39.904 1.279 18728 11685 1 12 . 1 1 94 94 ASP H H 94 8.229 8.229 8.544 -0.315 18728 11686 1 12 . 1 1 95 95 SER N N 95 115.787 115.787 113.192 2.595 18728 11687 1 12 . 1 1 95 95 SER HA H 95 4.286 4.286 4.296 -0.010 18728 11688 1 12 . 1 1 95 95 SER C C 95 174.602 174.602 174.687 -0.085 18728 11689 1 12 . 1 1 95 95 SER CA C 95 58.957 58.957 58.774 0.183 18728 11690 1 12 . 1 1 95 95 SER CB C 95 64.524 64.524 63.848 0.676 18728 11691 1 12 . 1 1 95 95 SER H H 95 8.109 8.109 7.931 0.178 18728 11692 1 12 . 1 1 96 96 GLN N N 96 120.796 120.796 121.134 -0.338 18728 11693 1 12 . 1 1 96 96 GLN HA H 96 4.297 4.297 4.080 0.216 18728 11694 1 12 . 1 1 96 96 GLN C C 96 175.742 175.742 176.159 -0.417 18728 11695 1 12 . 1 1 96 96 GLN CA C 96 55.721 55.721 58.000 -2.279 18728 11696 1 12 . 1 1 96 96 GLN CB C 96 29.313 29.313 29.191 0.122 18728 11697 1 12 . 1 1 96 96 GLN H H 96 8.161 8.161 7.322 0.839 18728 11698 1 12 . 1 1 97 97 ARG N N 97 122.462 122.462 119.724 2.738 18728 11699 1 12 . 1 1 97 97 ARG HA H 97 4.552 4.552 4.726 -0.174 18728 11700 1 12 . 1 1 97 97 ARG CA C 97 54.096 54.096 52.257 1.839 18728 11701 1 12 . 1 1 97 97 ARG CB C 97 30.115 30.115 28.958 1.157 18728 11702 1 12 . 1 1 97 97 ARG H H 97 8.029 8.029 8.136 -0.107 18728 11703 1 12 . 1 1 98 98 PRO HA H 98 4.362 4.362 4.412 -0.050 18728 11704 1 12 . 1 1 98 98 PRO C C 98 177.715 177.715 177.816 -0.101 18728 11705 1 12 . 1 1 98 98 PRO CA C 98 63.592 63.592 63.225 0.367 18728 11706 1 12 . 1 1 98 98 PRO CB C 98 31.955 31.955 31.991 -0.036 18728 11707 1 12 . 1 1 99 99 GLY N N 99 109.572 109.572 109.487 0.085 18728 11708 1 12 . 1 1 99 99 GLY C C 99 174.356 174.356 173.960 0.396 18728 11709 1 12 . 1 1 99 99 GLY CA C 99 45.395 45.395 45.084 0.311 18728 11710 1 12 . 1 1 99 99 GLY H H 99 8.516 8.516 8.579 -0.063 18728 11711 1 12 . 1 1 100 100 ALA N N 100 123.418 123.418 121.890 1.528 18728 11712 1 12 . 1 1 100 100 ALA HA H 100 4.141 4.141 3.943 0.198 18728 11713 1 12 . 1 1 100 100 ALA CA C 100 53.160 53.160 53.882 -0.722 18728 11714 1 12 . 1 1 100 100 ALA CB C 100 19.185 19.185 19.649 -0.464 18728 11715 1 12 . 1 1 100 100 ALA H H 100 8.015 8.015 7.688 0.327 18728 11716 1 12 . 1 1 101 101 HIS HA H 101 4.502 4.502 4.364 0.138 18728 11717 1 12 . 1 1 101 101 HIS C C 101 175.102 175.102 174.696 0.406 18728 11718 1 12 . 1 1 101 101 HIS CA C 101 56.309 56.309 55.615 0.694 18728 11719 1 12 . 1 1 101 101 HIS CB C 101 30.450 30.450 29.174 1.276 18728 11720 1 12 . 1 1 102 102 LEU N N 102 122.495 122.495 118.732 3.763 18728 11721 1 12 . 1 1 102 102 LEU HA H 102 4.263 4.263 4.397 -0.134 18728 11722 1 12 . 1 1 102 102 LEU C C 102 177.020 177.020 176.630 0.390 18728 11723 1 12 . 1 1 102 102 LEU CA C 102 54.934 54.934 54.558 0.376 18728 11724 1 12 . 1 1 102 102 LEU CB C 102 42.414 42.414 43.252 -0.838 18728 11725 1 12 . 1 1 102 102 LEU H H 102 7.774 7.774 7.405 0.369 18728 11726 1 12 . 1 1 103 103 THR N N 103 115.720 115.720 118.443 -2.723 18728 11727 1 12 . 1 1 103 103 THR HA H 103 4.220 4.220 3.944 0.276 18728 11728 1 12 . 1 1 103 103 THR C C 103 174.185 174.185 173.872 0.313 18728 11729 1 12 . 1 1 103 103 THR CA C 103 60.917 60.917 63.052 -2.135 18728 11730 1 12 . 1 1 103 103 THR CB C 103 69.340 69.340 67.891 1.449 18728 11731 1 12 . 1 1 103 103 THR H H 103 8.001 8.001 8.548 -0.547 18728 11732 1 12 . 1 1 104 104 VAL N N 104 122.004 122.004 126.538 -4.534 18728 11733 1 12 . 1 1 104 104 VAL HA H 104 4.330 4.330 4.282 0.048 18728 11734 1 12 . 1 1 104 104 VAL C C 104 175.294 175.294 175.262 0.032 18728 11735 1 12 . 1 1 104 104 VAL CA C 104 61.877 61.877 61.199 0.678 18728 11736 1 12 . 1 1 104 104 VAL CB C 104 34.220 34.220 32.540 1.680 18728 11737 1 12 . 1 1 104 104 VAL H H 104 8.191 8.191 7.871 0.320 18728 11738 1 12 . 1 1 105 105 LYS N N 105 121.406 121.406 125.003 -3.597 18728 11739 1 12 . 1 1 105 105 LYS HA H 105 4.498 4.498 4.504 -0.006 18728 11740 1 12 . 1 1 105 105 LYS C C 105 173.482 173.482 175.835 -2.353 18728 11741 1 12 . 1 1 105 105 LYS CA C 105 56.433 56.433 56.025 0.408 18728 11742 1 12 . 1 1 105 105 LYS CB C 105 33.245 33.245 32.994 0.251 18728 11743 1 12 . 1 1 105 105 LYS H H 105 8.672 8.672 8.748 -0.076 18728 11744 1 12 . 1 1 106 106 LYS N N 106 121.756 121.756 119.308 2.448 18728 11745 1 12 . 1 1 106 106 LYS HA H 106 5.623 5.623 5.372 0.251 18728 11746 1 12 . 1 1 106 106 LYS C C 106 175.153 175.153 175.284 -0.131 18728 11747 1 12 . 1 1 106 106 LYS CA C 106 54.537 54.537 54.720 -0.183 18728 11748 1 12 . 1 1 106 106 LYS CB C 106 37.407 37.407 36.229 1.178 18728 11749 1 12 . 1 1 106 106 LYS H H 106 7.134 7.134 7.657 -0.523 18728 11750 1 12 . 1 1 107 107 ILE N N 107 115.982 115.982 118.629 -2.647 18728 11751 1 12 . 1 1 107 107 ILE HA H 107 5.110 5.110 5.194 -0.084 18728 11752 1 12 . 1 1 107 107 ILE C C 107 174.525 174.525 174.215 0.310 18728 11753 1 12 . 1 1 107 107 ILE CA C 107 59.009 59.009 59.102 -0.093 18728 11754 1 12 . 1 1 107 107 ILE CB C 107 40.552 40.552 41.152 -0.600 18728 11755 1 12 . 1 1 107 107 ILE H H 107 8.948 8.948 8.660 0.288 18728 11756 1 12 . 1 1 108 108 PHE N N 108 124.182 124.182 124.984 -0.802 18728 11757 1 12 . 1 1 108 108 PHE HA H 108 4.696 4.696 4.668 0.028 18728 11758 1 12 . 1 1 108 108 PHE C C 108 173.422 173.422 173.335 0.087 18728 11759 1 12 . 1 1 108 108 PHE CA C 108 56.567 56.567 56.007 0.560 18728 11760 1 12 . 1 1 108 108 PHE CB C 108 41.596 41.596 41.809 -0.213 18728 11761 1 12 . 1 1 108 108 PHE H H 108 9.103 9.103 9.001 0.102 18728 11762 1 12 . 1 1 109 109 VAL N N 109 126.956 126.956 127.513 -0.557 18728 11763 1 12 . 1 1 109 109 VAL HA H 109 4.497 4.497 4.853 -0.356 18728 11764 1 12 . 1 1 109 109 VAL C C 109 174.097 174.097 174.336 -0.239 18728 11765 1 12 . 1 1 109 109 VAL CA C 109 60.493 60.493 60.300 0.193 18728 11766 1 12 . 1 1 109 109 VAL CB C 109 33.266 33.266 32.989 0.277 18728 11767 1 12 . 1 1 109 109 VAL H H 109 8.338 8.338 8.299 0.039 18728 11768 1 12 . 1 1 110 110 GLY N N 110 113.617 113.617 113.637 -0.020 18728 11769 1 12 . 1 1 110 110 GLY C C 110 174.325 174.325 173.588 0.737 18728 11770 1 12 . 1 1 110 110 GLY CA C 110 44.011 44.011 43.218 0.793 18728 11771 1 12 . 1 1 110 110 GLY H H 110 9.173 9.173 8.731 0.442 18728 11772 1 12 . 1 1 111 111 GLY N N 111 106.411 106.411 110.761 -4.350 18728 11773 1 12 . 1 1 111 111 GLY CA C 111 46.359 46.359 44.905 1.454 18728 11774 1 12 . 1 1 111 111 GLY H H 111 8.221 8.221 8.224 -0.003 18728 11775 1 12 . 1 1 116 116 THR HA H 116 4.322 4.322 4.623 -0.301 18728 11776 1 12 . 1 1 116 116 THR C C 116 173.380 173.380 173.567 -0.187 18728 11777 1 12 . 1 1 116 116 THR CA C 116 63.000 63.000 61.690 1.310 18728 11778 1 12 . 1 1 117 117 GLU N N 117 130.298 130.298 124.860 5.438 18728 11779 1 12 . 1 1 117 117 GLU HA H 117 4.632 4.632 4.729 -0.097 18728 11780 1 12 . 1 1 117 117 GLU C C 117 177.632 177.632 176.817 0.815 18728 11781 1 12 . 1 1 117 117 GLU CA C 117 53.853 53.853 54.560 -0.707 18728 11782 1 12 . 1 1 117 117 GLU CB C 117 32.977 32.977 32.031 0.946 18728 11783 1 12 . 1 1 117 117 GLU H H 117 11.190 11.190 9.002 2.188 18728 11784 1 12 . 1 1 118 118 GLU N N 118 122.126 122.126 121.985 0.141 18728 11785 1 12 . 1 1 118 118 GLU HA H 118 3.627 3.627 3.980 -0.353 18728 11786 1 12 . 1 1 118 118 GLU C C 118 179.294 179.294 178.318 0.976 18728 11787 1 12 . 1 1 118 118 GLU CA C 118 61.689 61.689 60.601 1.088 18728 11788 1 12 . 1 1 118 118 GLU CB C 118 29.075 29.075 29.462 -0.387 18728 11789 1 12 . 1 1 118 118 GLU H H 118 9.339 9.339 8.946 0.393 18728 11790 1 12 . 1 1 119 119 HIS N N 119 113.514 113.514 115.036 -1.522 18728 11791 1 12 . 1 1 119 119 HIS HA H 119 4.265 4.265 4.308 -0.043 18728 11792 1 12 . 1 1 119 119 HIS C C 119 176.566 176.566 178.105 -1.539 18728 11793 1 12 . 1 1 119 119 HIS CA C 119 58.917 58.917 59.608 -0.691 18728 11794 1 12 . 1 1 119 119 HIS CB C 119 28.187 28.187 28.867 -0.680 18728 11795 1 12 . 1 1 119 119 HIS H H 119 8.240 8.240 8.528 -0.288 18728 11796 1 12 . 1 1 120 120 HIS N N 120 118.629 118.629 118.328 0.301 18728 11797 1 12 . 1 1 120 120 HIS HA H 120 4.332 4.332 4.278 0.054 18728 11798 1 12 . 1 1 120 120 HIS C C 120 179.713 179.713 177.300 2.413 18728 11799 1 12 . 1 1 120 120 HIS CA C 120 60.310 60.310 60.135 0.175 18728 11800 1 12 . 1 1 120 120 HIS CB C 120 32.233 32.233 29.927 2.306 18728 11801 1 12 . 1 1 120 120 HIS H H 120 6.474 6.474 7.556 -1.082 18728 11802 1 12 . 1 1 121 121 LEU N N 121 117.249 117.249 115.870 1.379 18728 11803 1 12 . 1 1 121 121 LEU HA H 121 4.179 4.179 4.390 -0.211 18728 11804 1 12 . 1 1 121 121 LEU C C 121 178.020 178.020 178.463 -0.443 18728 11805 1 12 . 1 1 121 121 LEU CA C 121 57.924 57.924 57.650 0.274 18728 11806 1 12 . 1 1 121 121 LEU CB C 121 42.577 42.577 41.072 1.505 18728 11807 1 12 . 1 1 121 121 LEU H H 121 7.132 7.132 7.654 -0.522 18728 11808 1 12 . 1 1 122 122 ARG N N 122 121.766 121.766 121.505 0.261 18728 11809 1 12 . 1 1 122 122 ARG HA H 122 3.741 3.741 4.027 -0.286 18728 11810 1 12 . 1 1 122 122 ARG C C 122 177.023 177.023 177.962 -0.939 18728 11811 1 12 . 1 1 122 122 ARG CA C 122 60.508 60.508 60.023 0.485 18728 11812 1 12 . 1 1 122 122 ARG CB C 122 30.256 30.256 29.776 0.480 18728 11813 1 12 . 1 1 122 122 ARG H H 122 8.759 8.759 8.944 -0.185 18728 11814 1 12 . 1 1 123 123 ASP N N 123 116.299 116.299 117.817 -1.518 18728 11815 1 12 . 1 1 123 123 ASP HA H 123 4.294 4.294 4.416 -0.122 18728 11816 1 12 . 1 1 123 123 ASP C C 123 178.057 178.057 178.396 -0.339 18728 11817 1 12 . 1 1 123 123 ASP CA C 123 57.076 57.076 57.265 -0.189 18728 11818 1 12 . 1 1 123 123 ASP CB C 123 40.572 40.572 40.868 -0.296 18728 11819 1 12 . 1 1 123 123 ASP H H 123 8.423 8.423 7.848 0.575 18728 11820 1 12 . 1 1 124 124 TYR N N 124 115.172 115.172 119.937 -4.765 18728 11821 1 12 . 1 1 124 124 TYR HA H 124 4.338 4.338 4.210 0.128 18728 11822 1 12 . 1 1 124 124 TYR C C 124 177.688 177.688 177.828 -0.140 18728 11823 1 12 . 1 1 124 124 TYR CA C 124 61.660 61.660 61.394 0.266 18728 11824 1 12 . 1 1 124 124 TYR CB C 124 39.847 39.847 38.836 1.011 18728 11825 1 12 . 1 1 124 124 TYR H H 124 7.212 7.212 7.480 -0.268 18728 11826 1 12 . 1 1 125 125 PHE N N 125 113.932 113.932 117.615 -3.683 18728 11827 1 12 . 1 1 125 125 PHE HA H 125 4.515 4.515 4.402 0.113 18728 11828 1 12 . 1 1 125 125 PHE C C 125 178.209 178.209 178.420 -0.211 18728 11829 1 12 . 1 1 125 125 PHE CA C 125 63.404 63.404 61.090 2.314 18728 11830 1 12 . 1 1 125 125 PHE CB C 125 38.614 38.614 38.504 0.110 18728 11831 1 12 . 1 1 125 125 PHE H H 125 8.802 8.802 8.903 -0.101 18728 11832 1 12 . 1 1 126 126 GLU N N 126 120.515 120.515 119.171 1.344 18728 11833 1 12 . 1 1 126 126 GLU HA H 126 4.884 4.884 4.491 0.393 18728 11834 1 12 . 1 1 126 126 GLU C C 126 177.936 177.936 177.364 0.572 18728 11835 1 12 . 1 1 126 126 GLU CA C 126 58.560 58.560 58.627 -0.067 18728 11836 1 12 . 1 1 126 126 GLU CB C 126 28.516 28.516 29.065 -0.549 18728 11837 1 12 . 1 1 126 126 GLU H H 126 8.869 8.869 8.295 0.574 18728 11838 1 12 . 1 1 127 127 GLN N N 127 115.855 115.855 115.940 -0.085 18728 11839 1 12 . 1 1 127 127 GLN HA H 127 4.055 4.055 4.001 0.054 18728 11840 1 12 . 1 1 127 127 GLN C C 127 176.656 176.656 177.438 -0.782 18728 11841 1 12 . 1 1 127 127 GLN CA C 127 57.566 57.566 57.505 0.061 18728 11842 1 12 . 1 1 127 127 GLN CB C 127 29.047 29.047 28.830 0.217 18728 11843 1 12 . 1 1 127 127 GLN H H 127 7.105 7.105 7.602 -0.497 18728 11844 1 12 . 1 1 128 128 TYR N N 128 116.626 116.626 116.190 0.436 18728 11845 1 12 . 1 1 128 128 TYR HA H 128 4.328 4.328 4.412 -0.084 18728 11846 1 12 . 1 1 128 128 TYR C C 128 175.596 175.596 175.398 0.198 18728 11847 1 12 . 1 1 128 128 TYR CA C 128 59.492 59.492 59.654 -0.162 18728 11848 1 12 . 1 1 128 128 TYR CB C 128 39.539 39.539 39.840 -0.301 18728 11849 1 12 . 1 1 128 128 TYR H H 128 7.950 7.950 7.936 0.014 18728 11850 1 12 . 1 1 129 129 GLY N N 129 107.386 107.386 102.760 4.626 18728 11851 1 12 . 1 1 129 129 GLY C C 129 170.407 170.407 172.041 -1.634 18728 11852 1 12 . 1 1 129 129 GLY CA C 129 44.819 44.819 45.293 -0.474 18728 11853 1 12 . 1 1 129 129 GLY H H 129 7.492 7.492 7.609 -0.117 18728 11854 1 12 . 1 1 130 130 LYS N N 130 117.786 117.786 121.987 -4.201 18728 11855 1 12 . 1 1 130 130 LYS HA H 130 4.315 4.315 4.682 -0.367 18728 11856 1 12 . 1 1 130 130 LYS C C 130 177.097 177.097 175.994 1.103 18728 11857 1 12 . 1 1 130 130 LYS CA C 130 56.938 56.938 56.393 0.545 18728 11858 1 12 . 1 1 130 130 LYS CB C 130 33.199 33.199 33.287 -0.088 18728 11859 1 12 . 1 1 130 130 LYS H H 130 8.135 8.135 8.619 -0.484 18728 11860 1 12 . 1 1 131 131 ILE N N 131 127.829 127.829 127.746 0.083 18728 11861 1 12 . 1 1 131 131 ILE HA H 131 3.681 3.681 3.841 -0.160 18728 11862 1 12 . 1 1 131 131 ILE C C 131 175.841 175.841 176.153 -0.312 18728 11863 1 12 . 1 1 131 131 ILE CA C 131 61.625 61.625 60.779 0.847 18728 11864 1 12 . 1 1 131 131 ILE CB C 131 40.441 40.441 38.700 1.741 18728 11865 1 12 . 1 1 131 131 ILE H H 131 8.917 8.917 9.302 -0.385 18728 11866 1 12 . 1 1 132 132 GLU N N 132 128.437 128.437 128.308 0.129 18728 11867 1 12 . 1 1 132 132 GLU HA H 132 4.320 4.320 4.237 0.083 18728 11868 1 12 . 1 1 132 132 GLU C C 132 176.192 176.192 175.848 0.344 18728 11869 1 12 . 1 1 132 132 GLU CA C 132 57.816 57.816 58.463 -0.647 18728 11870 1 12 . 1 1 132 132 GLU CB C 132 31.670 31.670 30.830 0.840 18728 11871 1 12 . 1 1 132 132 GLU H H 132 9.136 9.136 8.658 0.478 18728 11872 1 12 . 1 1 133 133 VAL N N 133 115.096 115.096 116.429 -1.333 18728 11873 1 12 . 1 1 133 133 VAL HA H 133 4.316 4.316 4.180 0.136 18728 11874 1 12 . 1 1 133 133 VAL C C 133 172.860 172.860 173.689 -0.829 18728 11875 1 12 . 1 1 133 133 VAL CA C 133 61.258 61.258 61.156 0.102 18728 11876 1 12 . 1 1 133 133 VAL CB C 133 35.526 35.526 35.395 0.131 18728 11877 1 12 . 1 1 133 133 VAL H H 133 7.272 7.272 7.438 -0.166 18728 11878 1 12 . 1 1 134 134 ILE N N 134 126.870 126.870 124.422 2.448 18728 11879 1 12 . 1 1 134 134 ILE HA H 134 4.464 4.464 4.334 0.130 18728 11880 1 12 . 1 1 134 134 ILE C C 134 174.004 174.004 175.082 -1.078 18728 11881 1 12 . 1 1 134 134 ILE CA C 134 60.904 60.904 60.362 0.542 18728 11882 1 12 . 1 1 134 134 ILE CB C 134 40.408 40.408 39.678 0.730 18728 11883 1 12 . 1 1 134 134 ILE H H 134 8.566 8.566 8.481 0.085 18728 11884 1 12 . 1 1 135 135 GLU N N 135 128.037 128.037 128.860 -0.823 18728 11885 1 12 . 1 1 135 135 GLU HA H 135 4.642 4.642 4.622 0.020 18728 11886 1 12 . 1 1 135 135 GLU C C 135 174.883 174.883 174.892 -0.009 18728 11887 1 12 . 1 1 135 135 GLU CA C 135 54.640 54.640 55.283 -0.643 18728 11888 1 12 . 1 1 135 135 GLU CB C 135 33.259 33.259 30.765 2.494 18728 11889 1 12 . 1 1 135 135 GLU H H 135 9.019 9.019 8.806 0.213 18728 11890 1 12 . 1 1 136 136 ILE N N 136 126.668 126.668 125.539 1.129 18728 11891 1 12 . 1 1 136 136 ILE HA H 136 3.898 3.898 4.414 -0.516 18728 11892 1 12 . 1 1 136 136 ILE C C 136 176.157 176.157 175.627 0.530 18728 11893 1 12 . 1 1 136 136 ILE CA C 136 61.336 61.336 59.642 1.694 18728 11894 1 12 . 1 1 136 136 ILE CB C 136 37.397 37.397 37.806 -0.409 18728 11895 1 12 . 1 1 136 136 ILE H H 136 8.967 8.967 8.490 0.477 18728 11896 1 12 . 1 1 137 137 MET N N 137 126.115 126.115 127.492 -1.377 18728 11897 1 12 . 1 1 137 137 MET HA H 137 4.679 4.679 4.756 -0.077 18728 11898 1 12 . 1 1 137 137 MET C C 137 176.723 176.723 175.621 1.102 18728 11899 1 12 . 1 1 137 137 MET CA C 137 55.163 55.163 52.837 2.326 18728 11900 1 12 . 1 1 137 137 MET CB C 137 30.841 30.841 32.598 -1.757 18728 11901 1 12 . 1 1 137 137 MET H H 137 7.656 7.656 8.200 -0.544 18728 11902 1 12 . 1 1 138 138 THR N N 138 116.735 116.735 117.151 -0.416 18728 11903 1 12 . 1 1 138 138 THR HA H 138 4.746 4.746 4.495 0.251 18728 11904 1 12 . 1 1 138 138 THR C C 138 173.642 173.642 174.249 -0.607 18728 11905 1 12 . 1 1 138 138 THR CA C 138 60.385 60.385 61.453 -1.068 18728 11906 1 12 . 1 1 138 138 THR CB C 138 72.028 72.028 70.070 1.958 18728 11907 1 12 . 1 1 138 138 THR H H 138 8.551 8.551 8.214 0.337 18728 11908 1 12 . 1 1 139 139 ASP N N 139 123.899 123.899 122.690 1.209 18728 11909 1 12 . 1 1 139 139 ASP HA H 139 4.677 4.677 4.540 0.137 18728 11910 1 12 . 1 1 139 139 ASP CA C 139 53.728 53.728 54.039 -0.311 18728 11911 1 12 . 1 1 139 139 ASP CB C 139 42.270 42.270 42.457 -0.187 18728 11912 1 12 . 1 1 139 139 ASP H H 139 8.818 8.818 8.523 0.295 18728 11913 1 12 . 1 1 140 140 ARG HA H 140 4.037 4.037 4.122 -0.085 18728 11914 1 12 . 1 1 140 140 ARG C C 140 177.886 177.886 177.537 0.349 18728 11915 1 12 . 1 1 140 140 ARG CB C 140 29.886 29.886 30.243 -0.357 18728 11916 1 12 . 1 1 141 141 GLY N N 141 107.951 107.951 105.608 2.343 18728 11917 1 12 . 1 1 141 141 GLY C C 141 174.861 174.861 175.909 -1.048 18728 11918 1 12 . 1 1 141 141 GLY CA C 141 46.490 46.490 45.319 1.171 18728 11919 1 12 . 1 1 141 141 GLY H H 141 8.635 8.635 8.172 0.463 18728 11920 1 12 . 1 1 142 142 SER N N 142 114.044 114.044 116.495 -2.451 18728 11921 1 12 . 1 1 142 142 SER HA H 142 4.533 4.533 4.346 0.187 18728 11922 1 12 . 1 1 142 142 SER C C 142 176.080 176.080 175.836 0.244 18728 11923 1 12 . 1 1 142 142 SER CA C 142 58.429 58.429 58.890 -0.461 18728 11924 1 12 . 1 1 142 142 SER CB C 142 65.439 65.439 64.201 1.238 18728 11925 1 12 . 1 1 142 142 SER H H 142 8.034 8.034 8.579 -0.545 18728 11926 1 12 . 1 1 143 143 GLY N N 143 112.348 112.348 111.034 1.314 18728 11927 1 12 . 1 1 143 143 GLY C C 143 173.949 173.949 173.611 0.338 18728 11928 1 12 . 1 1 143 143 GLY CA C 143 45.703 45.703 45.551 0.152 18728 11929 1 12 . 1 1 143 143 GLY H H 143 8.363 8.363 8.272 0.091 18728 11930 1 12 . 1 1 144 144 LYS N N 144 119.966 119.966 119.335 0.631 18728 11931 1 12 . 1 1 144 144 LYS HA H 144 4.273 4.273 4.562 -0.289 18728 11932 1 12 . 1 1 144 144 LYS C C 144 176.969 176.969 176.424 0.545 18728 11933 1 12 . 1 1 144 144 LYS CA C 144 56.145 56.145 53.683 2.462 18728 11934 1 12 . 1 1 144 144 LYS CB C 144 33.378 33.378 33.085 0.293 18728 11935 1 12 . 1 1 144 144 LYS H H 144 7.786 7.786 7.276 0.510 18728 11936 1 12 . 1 1 145 145 LYS N N 145 123.668 123.668 122.095 1.573 18728 11937 1 12 . 1 1 145 145 LYS HA H 145 4.187 4.187 4.399 -0.212 18728 11938 1 12 . 1 1 145 145 LYS C C 145 177.498 177.498 175.368 2.130 18728 11939 1 12 . 1 1 145 145 LYS CA C 145 57.392 57.392 54.898 2.494 18728 11940 1 12 . 1 1 145 145 LYS CB C 145 32.577 32.577 30.785 1.792 18728 11941 1 12 . 1 1 145 145 LYS H H 145 8.968 8.968 8.929 0.039 18728 11942 1 12 . 1 1 146 146 ARG N N 146 119.700 119.700 120.227 -0.527 18728 11943 1 12 . 1 1 146 146 ARG HA H 146 4.294 4.294 4.354 -0.060 18728 11944 1 12 . 1 1 146 146 ARG CA C 146 56.365 56.365 55.165 1.200 18728 11945 1 12 . 1 1 146 146 ARG CB C 146 30.786 30.786 32.662 -1.876 18728 11946 1 12 . 1 1 146 146 ARG H H 146 8.095 8.095 7.939 0.156 18728 11947 1 12 . 1 1 147 147 GLY N N 147 110.572 110.572 108.199 2.373 18728 11948 1 12 . 1 1 147 147 GLY C C 147 173.384 173.384 172.639 0.745 18728 11949 1 12 . 1 1 147 147 GLY CA C 147 45.440 45.440 45.528 -0.088 18728 11950 1 12 . 1 1 147 147 GLY H H 147 8.401 8.401 8.481 -0.080 18728 11951 1 12 . 1 1 148 148 PHE N N 148 114.199 114.199 116.843 -2.644 18728 11952 1 12 . 1 1 148 148 PHE HA H 148 5.194 5.194 5.310 -0.116 18728 11953 1 12 . 1 1 148 148 PHE C C 148 172.409 172.409 172.707 -0.298 18728 11954 1 12 . 1 1 148 148 PHE CA C 148 55.282 55.282 55.448 -0.166 18728 11955 1 12 . 1 1 148 148 PHE CB C 148 41.869 41.869 40.722 1.147 18728 11956 1 12 . 1 1 148 148 PHE H H 148 7.255 7.255 6.963 0.292 18728 11957 1 12 . 1 1 149 149 ALA N N 149 121.427 121.427 121.551 -0.124 18728 11958 1 12 . 1 1 149 149 ALA HA H 149 4.966 4.966 4.742 0.224 18728 11959 1 12 . 1 1 149 149 ALA C C 149 174.084 174.084 174.461 -0.377 18728 11960 1 12 . 1 1 149 149 ALA CA C 149 49.755 49.755 50.330 -0.575 18728 11961 1 12 . 1 1 149 149 ALA CB C 149 25.094 25.094 22.688 2.406 18728 11962 1 12 . 1 1 149 149 ALA H H 149 8.786 8.786 8.817 -0.031 18728 11963 1 12 . 1 1 150 150 PHE N N 150 114.425 114.425 116.230 -1.805 18728 11964 1 12 . 1 1 150 150 PHE HA H 150 5.874 5.874 5.438 0.436 18728 11965 1 12 . 1 1 150 150 PHE C C 150 176.196 176.196 174.376 1.820 18728 11966 1 12 . 1 1 150 150 PHE CA C 150 56.070 56.070 56.847 -0.777 18728 11967 1 12 . 1 1 150 150 PHE CB C 150 43.251 43.251 44.200 -0.949 18728 11968 1 12 . 1 1 150 150 PHE H H 150 8.689 8.689 9.118 -0.429 18728 11969 1 12 . 1 1 151 151 VAL N N 151 122.489 122.489 121.925 0.564 18728 11970 1 12 . 1 1 151 151 VAL HA H 151 4.375 4.375 4.391 -0.016 18728 11971 1 12 . 1 1 151 151 VAL C C 151 173.932 173.932 174.875 -0.943 18728 11972 1 12 . 1 1 151 151 VAL CA C 151 61.454 61.454 61.065 0.390 18728 11973 1 12 . 1 1 151 151 VAL CB C 151 33.869 33.869 33.980 -0.111 18728 11974 1 12 . 1 1 151 151 VAL H H 151 8.559 8.559 8.774 -0.215 18728 11975 1 12 . 1 1 152 152 THR N N 152 123.112 123.112 124.521 -1.409 18728 11976 1 12 . 1 1 152 152 THR HA H 152 4.995 4.995 4.640 0.355 18728 11977 1 12 . 1 1 152 152 THR C C 152 174.047 174.047 173.570 0.477 18728 11978 1 12 . 1 1 152 152 THR CA C 152 61.931 61.931 63.085 -1.154 18728 11979 1 12 . 1 1 152 152 THR CB C 152 69.689 69.689 69.187 0.502 18728 11980 1 12 . 1 1 152 152 THR H H 152 8.723 8.723 8.577 0.146 18728 11981 1 12 . 1 1 153 153 PHE N N 153 127.746 127.746 127.045 0.701 18728 11982 1 12 . 1 1 153 153 PHE HA H 153 4.840 4.840 4.724 0.116 18728 11983 1 12 . 1 1 153 153 PHE C C 153 174.720 174.720 175.702 -0.982 18728 11984 1 12 . 1 1 153 153 PHE CA C 153 58.098 58.098 58.032 0.066 18728 11985 1 12 . 1 1 153 153 PHE CB C 153 41.706 41.706 41.885 -0.179 18728 11986 1 12 . 1 1 153 153 PHE H H 153 9.368 9.368 9.190 0.178 18728 11987 1 12 . 1 1 154 154 ASP N N 154 118.371 118.371 120.557 -2.186 18728 11988 1 12 . 1 1 154 154 ASP HA H 154 4.486 4.486 4.683 -0.197 18728 11989 1 12 . 1 1 154 154 ASP C C 154 175.668 175.668 175.507 0.161 18728 11990 1 12 . 1 1 154 154 ASP CA C 154 56.114 56.114 56.815 -0.701 18728 11991 1 12 . 1 1 154 154 ASP CB C 154 42.576 42.576 42.226 0.350 18728 11992 1 12 . 1 1 154 154 ASP H H 154 8.196 8.196 8.813 -0.617 18728 11993 1 12 . 1 1 155 155 ASP N N 155 117.144 117.144 115.206 1.938 18728 11994 1 12 . 1 1 155 155 ASP HA H 155 4.909 4.909 4.863 0.046 18728 11995 1 12 . 1 1 155 155 ASP C C 155 176.392 176.392 176.204 0.188 18728 11996 1 12 . 1 1 155 155 ASP CA C 155 52.615 52.615 52.501 0.114 18728 11997 1 12 . 1 1 155 155 ASP CB C 155 44.471 44.471 44.275 0.196 18728 11998 1 12 . 1 1 155 155 ASP H H 155 8.323 8.323 7.843 0.480 18728 11999 1 12 . 1 1 156 156 HIS N N 156 121.508 121.508 118.465 3.043 18728 12000 1 12 . 1 1 156 156 HIS HA H 156 4.336 4.336 4.613 -0.277 18728 12001 1 12 . 1 1 156 156 HIS C C 156 176.855 176.855 176.226 0.629 18728 12002 1 12 . 1 1 156 156 HIS CA C 156 58.593 58.593 57.789 0.804 18728 12003 1 12 . 1 1 156 156 HIS CB C 156 29.703 29.703 30.361 -0.658 18728 12004 1 12 . 1 1 156 156 HIS H H 156 8.492 8.492 8.680 -0.188 18728 12005 1 12 . 1 1 157 157 ASP N N 157 122.539 122.539 119.232 3.307 18728 12006 1 12 . 1 1 157 157 ASP HA H 157 4.254 4.254 4.089 0.165 18728 12007 1 12 . 1 1 157 157 ASP C C 157 178.233 178.233 177.510 0.723 18728 12008 1 12 . 1 1 157 157 ASP CA C 157 57.047 57.047 57.236 -0.189 18728 12009 1 12 . 1 1 157 157 ASP CB C 157 40.875 40.875 39.881 0.994 18728 12010 1 12 . 1 1 157 157 ASP H H 157 8.345 8.345 7.675 0.670 18728 12011 1 12 . 1 1 158 158 SER N N 158 113.623 113.623 115.093 -1.470 18728 12012 1 12 . 1 1 158 158 SER HA H 158 3.899 3.899 4.195 -0.296 18728 12013 1 12 . 1 1 158 158 SER C C 158 174.750 174.750 175.926 -1.176 18728 12014 1 12 . 1 1 158 158 SER CA C 158 61.914 61.914 60.478 1.436 18728 12015 1 12 . 1 1 158 158 SER CB C 158 63.088 63.088 62.438 0.650 18728 12016 1 12 . 1 1 158 158 SER H H 158 7.424 7.424 7.573 -0.149 18728 12017 1 12 . 1 1 159 159 VAL N N 159 118.448 118.448 122.863 -4.415 18728 12018 1 12 . 1 1 159 159 VAL HA H 159 2.913 2.913 3.429 -0.516 18728 12019 1 12 . 1 1 159 159 VAL C C 159 177.269 177.269 177.333 -0.064 18728 12020 1 12 . 1 1 159 159 VAL CA C 159 66.512 66.512 66.159 0.353 18728 12021 1 12 . 1 1 159 159 VAL CB C 159 31.395 31.395 31.174 0.221 18728 12022 1 12 . 1 1 159 159 VAL H H 159 6.484 6.484 6.904 -0.420 18728 12023 1 12 . 1 1 160 160 ASP N N 160 119.064 119.064 119.520 -0.456 18728 12024 1 12 . 1 1 160 160 ASP HA H 160 4.275 4.275 4.400 -0.125 18728 12025 1 12 . 1 1 160 160 ASP C C 160 178.284 178.284 178.641 -0.357 18728 12026 1 12 . 1 1 160 160 ASP CA C 160 57.798 57.798 57.556 0.242 18728 12027 1 12 . 1 1 160 160 ASP CB C 160 40.288 40.288 40.953 -0.665 18728 12028 1 12 . 1 1 160 160 ASP H H 160 7.663 7.663 8.083 -0.420 18728 12029 1 12 . 1 1 161 161 LYS N N 161 116.568 116.568 118.792 -2.224 18728 12030 1 12 . 1 1 161 161 LYS HA H 161 4.030 4.030 4.124 -0.094 18728 12031 1 12 . 1 1 161 161 LYS C C 161 178.205 178.205 178.257 -0.052 18728 12032 1 12 . 1 1 161 161 LYS CA C 161 58.796 58.796 59.028 -0.232 18728 12033 1 12 . 1 1 161 161 LYS CB C 161 33.298 33.298 32.553 0.745 18728 12034 1 12 . 1 1 161 161 LYS H H 161 7.465 7.465 7.334 0.131 18728 12035 1 12 . 1 1 162 162 ILE N N 162 119.457 119.457 117.520 1.937 18728 12036 1 12 . 1 1 162 162 ILE HA H 162 3.241 3.241 3.544 -0.303 18728 12037 1 12 . 1 1 162 162 ILE C C 162 179.129 179.129 177.884 1.245 18728 12038 1 12 . 1 1 162 162 ILE CA C 162 65.201 65.201 64.460 0.741 18728 12039 1 12 . 1 1 162 162 ILE CB C 162 39.170 39.170 38.644 0.526 18728 12040 1 12 . 1 1 162 162 ILE H H 162 7.367 7.367 7.258 0.109 18728 12041 1 12 . 1 1 163 163 VAL N N 163 109.705 109.705 116.578 -6.873 18728 12042 1 12 . 1 1 163 163 VAL HA H 163 4.093 4.093 3.990 0.103 18728 12043 1 12 . 1 1 163 163 VAL C C 163 176.685 176.685 176.575 0.110 18728 12044 1 12 . 1 1 163 163 VAL CA C 163 64.137 64.137 64.543 -0.406 18728 12045 1 12 . 1 1 163 163 VAL CB C 163 30.720 30.720 31.012 -0.292 18728 12046 1 12 . 1 1 163 163 VAL H H 163 7.814 7.814 7.898 -0.084 18728 12047 1 12 . 1 1 164 164 ILE N N 164 118.885 118.885 118.518 0.367 18728 12048 1 12 . 1 1 164 164 ILE HA H 164 3.968 3.968 3.782 0.186 18728 12049 1 12 . 1 1 164 164 ILE C C 164 176.006 176.006 176.227 -0.221 18728 12050 1 12 . 1 1 164 164 ILE CA C 164 63.328 63.328 63.818 -0.490 18728 12051 1 12 . 1 1 164 164 ILE CB C 164 38.136 38.136 38.023 0.113 18728 12052 1 12 . 1 1 164 164 ILE H H 164 6.979 6.979 7.375 -0.396 18728 12053 1 12 . 1 1 165 165 GLN N N 165 120.509 120.509 117.384 3.125 18728 12054 1 12 . 1 1 165 165 GLN HA H 165 4.472 4.472 4.443 0.029 18728 12055 1 12 . 1 1 165 165 GLN C C 165 174.808 174.808 175.080 -0.272 18728 12056 1 12 . 1 1 165 165 GLN CA C 165 54.743 54.743 54.346 0.397 18728 12057 1 12 . 1 1 165 165 GLN CB C 165 30.183 30.183 28.715 1.468 18728 12058 1 12 . 1 1 165 165 GLN H H 165 7.490 7.490 7.853 -0.363 18728 12059 1 12 . 1 1 166 166 LYS N N 166 122.953 122.953 123.902 -0.949 18728 12060 1 12 . 1 1 166 166 LYS HA H 166 3.992 3.992 4.064 -0.072 18728 12061 1 12 . 1 1 166 166 LYS C C 166 175.496 175.496 175.575 -0.079 18728 12062 1 12 . 1 1 166 166 LYS CA C 166 59.718 59.718 58.965 0.752 18728 12063 1 12 . 1 1 166 166 LYS CB C 166 33.115 33.115 33.026 0.089 18728 12064 1 12 . 1 1 166 166 LYS H H 166 8.085 8.085 8.709 -0.624 18728 12065 1 12 . 1 1 167 167 TYR N N 167 114.210 114.210 114.581 -0.371 18728 12066 1 12 . 1 1 167 167 TYR HA H 167 5.457 5.457 5.400 0.057 18728 12067 1 12 . 1 1 167 167 TYR C C 167 175.593 175.593 175.669 -0.076 18728 12068 1 12 . 1 1 167 167 TYR CA C 167 56.417 56.417 56.825 -0.408 18728 12069 1 12 . 1 1 167 167 TYR CB C 167 40.057 40.057 41.177 -1.120 18728 12070 1 12 . 1 1 167 167 TYR H H 167 7.740 7.740 7.634 0.106 18728 12071 1 12 . 1 1 168 168 HIS N N 168 122.617 122.617 122.437 0.180 18728 12072 1 12 . 1 1 168 168 HIS HA H 168 4.526 4.526 5.056 -0.530 18728 12073 1 12 . 1 1 168 168 HIS C C 168 174.213 174.213 174.240 -0.027 18728 12074 1 12 . 1 1 168 168 HIS CA C 168 55.233 55.233 55.105 0.128 18728 12075 1 12 . 1 1 168 168 HIS CB C 168 34.906 34.906 33.871 1.035 18728 12076 1 12 . 1 1 168 168 HIS H H 168 9.035 9.035 9.490 -0.455 18728 12077 1 12 . 1 1 169 169 THR N N 169 121.981 121.981 119.829 2.152 18728 12078 1 12 . 1 1 169 169 THR HA H 169 4.722 4.722 4.927 -0.205 18728 12079 1 12 . 1 1 169 169 THR C C 169 172.973 172.973 173.459 -0.486 18728 12080 1 12 . 1 1 169 169 THR CA C 169 61.620 61.620 61.832 -0.212 18728 12081 1 12 . 1 1 169 169 THR CB C 169 68.692 68.692 68.985 -0.293 18728 12082 1 12 . 1 1 169 169 THR H H 169 8.784 8.784 8.769 0.015 18728 12083 1 12 . 1 1 170 170 VAL N N 170 125.540 125.540 127.491 -1.951 18728 12084 1 12 . 1 1 170 170 VAL HA H 170 3.751 3.751 4.100 -0.349 18728 12085 1 12 . 1 1 170 170 VAL C C 170 175.997 175.997 174.933 1.064 18728 12086 1 12 . 1 1 170 170 VAL CA C 170 60.770 60.770 59.881 0.889 18728 12087 1 12 . 1 1 170 170 VAL CB C 170 34.216 34.216 33.478 0.738 18728 12088 1 12 . 1 1 170 170 VAL H H 170 8.268 8.268 8.634 -0.366 18728 12089 1 12 . 1 1 171 171 ASN N N 171 126.811 126.811 127.932 -1.121 18728 12090 1 12 . 1 1 171 171 ASN HA H 171 4.065 4.065 4.372 -0.307 18728 12091 1 12 . 1 1 171 171 ASN C C 171 174.266 174.266 174.980 -0.714 18728 12092 1 12 . 1 1 171 171 ASN CA C 171 53.184 53.184 53.317 -0.133 18728 12093 1 12 . 1 1 171 171 ASN CB C 171 37.436 37.436 37.933 -0.497 18728 12094 1 12 . 1 1 171 171 ASN H H 171 9.437 9.437 9.140 0.297 18728 12095 1 12 . 1 1 172 172 GLY N N 172 100.629 100.629 101.337 -0.708 18728 12096 1 12 . 1 1 172 172 GLY C C 172 173.335 173.335 173.760 -0.425 18728 12097 1 12 . 1 1 172 172 GLY CA C 172 45.154 45.154 45.066 0.088 18728 12098 1 12 . 1 1 172 172 GLY H H 172 8.194 8.194 8.321 -0.127 18728 12099 1 12 . 1 1 173 173 HIS N N 173 119.555 119.555 120.513 -0.958 18728 12100 1 12 . 1 1 173 173 HIS HA H 173 4.860 4.860 4.635 0.225 18728 12101 1 12 . 1 1 173 173 HIS CA C 173 53.723 53.723 54.357 -0.634 18728 12102 1 12 . 1 1 173 173 HIS CB C 173 31.589 31.589 30.476 1.113 18728 12103 1 12 . 1 1 173 173 HIS H H 173 7.657 7.657 7.639 0.018 18728 12104 1 12 . 1 1 174 174 ASN N N 174 122.936 122.936 125.261 -2.325 18728 12105 1 12 . 1 1 174 174 ASN HA H 174 4.794 4.794 5.284 -0.490 18728 12106 1 12 . 1 1 174 174 ASN C C 174 174.918 174.918 174.954 -0.036 18728 12107 1 12 . 1 1 174 174 ASN CA C 174 53.748 53.748 52.668 1.080 18728 12108 1 12 . 1 1 174 174 ASN CB C 174 38.185 38.185 39.066 -0.881 18728 12109 1 12 . 1 1 174 174 ASN H H 174 8.828 8.828 8.740 0.088 18728 12110 1 12 . 1 1 175 175 CYS N N 175 126.425 126.425 124.071 2.354 18728 12111 1 12 . 1 1 175 175 CYS HA H 175 4.872 4.872 4.977 -0.105 18728 12112 1 12 . 1 1 175 175 CYS C C 175 173.853 173.853 173.373 0.480 18728 12113 1 12 . 1 1 175 175 CYS CA C 175 59.380 59.380 55.794 3.586 18728 12114 1 12 . 1 1 175 175 CYS CB C 175 29.966 29.966 31.456 -1.490 18728 12115 1 12 . 1 1 175 175 CYS H H 175 9.078 9.078 9.139 -0.061 18728 12116 1 12 . 1 1 176 176 GLU N N 176 124.488 124.488 121.341 3.147 18728 12117 1 12 . 1 1 176 176 GLU HA H 176 4.661 4.661 4.846 -0.185 18728 12118 1 12 . 1 1 176 176 GLU C C 176 175.343 175.343 175.221 0.122 18728 12119 1 12 . 1 1 176 176 GLU CA C 176 55.296 55.296 55.656 -0.360 18728 12120 1 12 . 1 1 176 176 GLU CB C 176 31.550 31.550 31.300 0.250 18728 12121 1 12 . 1 1 176 176 GLU H H 176 8.161 8.161 9.063 -0.902 18728 12122 1 12 . 1 1 177 177 VAL N N 177 122.521 122.521 125.862 -3.341 18728 12123 1 12 . 1 1 177 177 VAL HA H 177 5.628 5.628 5.442 0.186 18728 12124 1 12 . 1 1 177 177 VAL C C 177 175.720 175.720 174.371 1.349 18728 12125 1 12 . 1 1 177 177 VAL CA C 177 59.713 59.713 60.795 -1.083 18728 12126 1 12 . 1 1 177 177 VAL CB C 177 34.523 34.523 34.898 -0.375 18728 12127 1 12 . 1 1 177 177 VAL H H 177 8.684 8.684 8.942 -0.258 18728 12128 1 12 . 1 1 178 178 ARG N N 178 119.915 119.915 124.446 -4.531 18728 12129 1 12 . 1 1 178 178 ARG HA H 178 4.746 4.746 4.741 0.005 18728 12130 1 12 . 1 1 178 178 ARG C C 178 175.689 175.689 174.547 1.142 18728 12131 1 12 . 1 1 178 178 ARG CA C 178 54.212 54.212 53.898 0.314 18728 12132 1 12 . 1 1 178 178 ARG CB C 178 34.184 34.184 33.477 0.707 18728 12133 1 12 . 1 1 178 178 ARG H H 178 8.701 8.701 8.848 -0.147 18728 12134 1 12 . 1 1 179 179 LYS N N 179 121.001 121.001 121.582 -0.581 18728 12135 1 12 . 1 1 179 179 LYS HA H 179 4.098 4.098 4.308 -0.210 18728 12136 1 12 . 1 1 179 179 LYS C C 179 176.026 176.026 175.904 0.122 18728 12137 1 12 . 1 1 179 179 LYS CA C 179 59.027 59.027 56.939 2.088 18728 12138 1 12 . 1 1 179 179 LYS CB C 179 33.377 33.377 31.792 1.585 18728 12139 1 12 . 1 1 179 179 LYS H H 179 8.990 8.990 8.519 0.471 18728 12140 1 12 . 1 1 180 180 ALA N N 180 126.810 126.810 128.047 -1.237 18728 12141 1 12 . 1 1 180 180 ALA HA H 180 4.565 4.565 4.772 -0.207 18728 12142 1 12 . 1 1 180 180 ALA C C 180 175.318 175.318 175.870 -0.552 18728 12143 1 12 . 1 1 180 180 ALA CA C 180 51.432 51.432 50.717 0.715 18728 12144 1 12 . 1 1 180 180 ALA CB C 180 19.201 19.201 21.332 -2.131 18728 12145 1 12 . 1 1 180 180 ALA H H 180 8.378 8.378 8.689 -0.311 18728 12146 1 12 . 1 1 181 181 LEU N N 181 122.300 122.300 124.728 -2.428 18728 12147 1 12 . 1 1 181 181 LEU HA H 181 4.401 4.401 4.413 -0.012 18728 12148 1 12 . 1 1 181 181 LEU CA C 181 54.737 54.737 54.172 0.565 18728 12149 1 12 . 1 1 181 181 LEU CB C 181 43.199 43.199 42.463 0.736 18728 12150 1 12 . 1 1 181 181 LEU H H 181 8.001 8.001 8.481 -0.480 18728 12151 1 12 . 1 1 182 182 SER HA H 182 4.406 4.406 4.520 -0.114 18728 12152 1 12 . 1 1 182 182 SER CA C 182 58.100 58.100 57.811 0.289 18728 12153 1 12 . 1 1 182 182 SER CB C 182 64.440 64.440 64.785 -0.345 18728 12154 1 12 . 1 1 183 183 LYS HA H 183 4.101 4.101 3.959 0.142 18728 12155 1 12 . 1 1 183 183 LYS C C 183 177.343 177.343 178.349 -1.006 18728 12156 1 12 . 1 1 183 183 LYS CA C 183 57.744 57.744 59.107 -1.363 18728 12157 1 12 . 1 1 183 183 LYS CB C 183 32.586 32.586 32.152 0.434 18728 12158 1 12 . 1 1 184 184 GLN N N 184 120.056 120.056 118.349 1.707 18728 12159 1 12 . 1 1 184 184 GLN HA H 184 4.167 4.167 3.991 0.176 18728 12160 1 12 . 1 1 184 184 GLN C C 184 176.718 176.718 177.810 -1.092 18728 12161 1 12 . 1 1 184 184 GLN CA C 184 56.981 56.981 59.356 -2.375 18728 12162 1 12 . 1 1 184 184 GLN CB C 184 28.990 28.990 28.616 0.374 18728 12163 1 12 . 1 1 184 184 GLN H H 184 8.320 8.320 7.779 0.541 18728 12164 1 12 . 1 1 185 185 GLU N N 185 121.610 121.610 118.779 2.831 18728 12165 1 12 . 1 1 185 185 GLU HA H 185 4.132 4.132 4.159 -0.027 18728 12166 1 12 . 1 1 185 185 GLU C C 185 177.117 177.117 178.510 -1.393 18728 12167 1 12 . 1 1 185 185 GLU CA C 185 57.234 57.234 58.420 -1.186 18728 12168 1 12 . 1 1 185 185 GLU CB C 185 30.235 30.235 29.519 0.716 18728 12169 1 12 . 1 1 185 185 GLU H H 185 8.143 8.143 7.755 0.389 18728 12170 1 12 . 1 1 186 186 MET N N 186 120.092 120.092 118.009 2.083 18728 12171 1 12 . 1 1 186 186 MET HA H 186 4.289 4.289 4.256 0.033 18728 12172 1 12 . 1 1 186 186 MET C C 186 176.438 176.438 178.129 -1.691 18728 12173 1 12 . 1 1 186 186 MET CA C 186 56.069 56.069 58.189 -2.120 18728 12174 1 12 . 1 1 186 186 MET CB C 186 32.847 32.847 32.988 -0.141 18728 12175 1 12 . 1 1 186 186 MET H H 186 8.195 8.195 8.448 -0.253 18728 12176 1 12 . 1 1 187 187 ALA N N 187 124.104 124.104 119.746 4.358 18728 12177 1 12 . 1 1 187 187 ALA HA H 187 4.297 4.297 4.331 -0.034 18728 12178 1 12 . 1 1 187 187 ALA C C 187 178.107 178.107 177.090 1.017 18728 12179 1 12 . 1 1 187 187 ALA CA C 187 52.912 52.912 52.055 0.857 18728 12180 1 12 . 1 1 187 187 ALA CB C 187 19.060 19.060 19.038 0.022 18728 12181 1 12 . 1 1 187 187 ALA H H 187 8.060 8.060 7.814 0.246 18728 12182 1 12 . 1 1 188 188 SER N N 188 114.374 114.374 111.917 2.457 18728 12183 1 12 . 1 1 188 188 SER HA H 188 4.357 4.357 4.158 0.199 18728 12184 1 12 . 1 1 188 188 SER C C 188 174.757 174.757 173.780 0.977 18728 12185 1 12 . 1 1 188 188 SER CA C 188 58.598 58.598 58.924 -0.326 18728 12186 1 12 . 1 1 188 188 SER CB C 188 63.734 63.734 60.440 3.294 18728 12187 1 12 . 1 1 188 188 SER H H 188 8.173 8.173 7.841 0.332 18728 12188 1 12 . 1 1 189 189 ALA N N 189 125.637 125.637 123.081 2.556 18728 12189 1 12 . 1 1 189 189 ALA HA H 189 4.246 4.246 4.620 -0.374 18728 12190 1 12 . 1 1 189 189 ALA CA C 189 53.015 53.015 50.903 2.112 18728 12191 1 12 . 1 1 189 189 ALA CB C 189 19.069 19.069 21.851 -2.782 18728 12192 1 12 . 1 1 189 189 ALA H H 189 8.207 8.207 7.868 0.339 18728 12193 1 13 . 1 1 5 5 GLU N N 5 122.509 122.509 125.815 -3.306 18728 12194 1 13 . 1 1 5 5 GLU HA H 5 4.345 4.345 4.280 0.065 18728 12195 1 13 . 1 1 5 5 GLU C C 5 176.240 176.240 176.614 -0.374 18728 12196 1 13 . 1 1 5 5 GLU CA C 5 56.190 56.190 56.565 -0.375 18728 12197 1 13 . 1 1 5 5 GLU CB C 5 30.611 30.611 28.693 1.918 18728 12198 1 13 . 1 1 5 5 GLU H H 5 8.321 8.321 8.789 -0.468 18728 12199 1 13 . 1 1 6 6 SER N N 6 118.728 118.728 120.613 -1.885 18728 12200 1 13 . 1 1 6 6 SER HA H 6 4.342 4.342 4.511 -0.169 18728 12201 1 13 . 1 1 6 6 SER CA C 6 56.305 56.305 59.494 -3.189 18728 12202 1 13 . 1 1 6 6 SER CB C 6 63.241 63.241 61.864 1.377 18728 12203 1 13 . 1 1 6 6 SER H H 6 8.349 8.349 8.253 0.096 18728 12204 1 13 . 1 1 7 7 PRO HA H 7 4.427 4.427 4.419 0.008 18728 12205 1 13 . 1 1 7 7 PRO C C 7 177.027 177.027 175.675 1.352 18728 12206 1 13 . 1 1 7 7 PRO CA C 7 63.271 63.271 63.298 -0.027 18728 12207 1 13 . 1 1 7 7 PRO CB C 7 32.111 32.111 32.441 -0.330 18728 12208 1 13 . 1 1 8 8 LYS N N 8 121.819 121.819 119.087 2.732 18728 12209 1 13 . 1 1 8 8 LYS HA H 8 4.290 4.290 4.479 -0.189 18728 12210 1 13 . 1 1 8 8 LYS C C 8 177.015 177.015 176.403 0.612 18728 12211 1 13 . 1 1 8 8 LYS CA C 8 56.455 56.455 54.946 1.509 18728 12212 1 13 . 1 1 8 8 LYS CB C 8 33.341 33.341 32.282 1.059 18728 12213 1 13 . 1 1 8 8 LYS H H 8 8.445 8.445 8.390 0.055 18728 12214 1 13 . 1 1 9 9 GLU N N 9 121.243 121.243 121.661 -0.418 18728 12215 1 13 . 1 1 9 9 GLU HA H 9 4.606 4.606 4.581 0.025 18728 12216 1 13 . 1 1 9 9 GLU CA C 9 54.480 54.480 54.137 0.343 18728 12217 1 13 . 1 1 9 9 GLU CB C 9 29.572 29.572 29.503 0.069 18728 12218 1 13 . 1 1 9 9 GLU H H 9 8.313 8.313 7.931 0.382 18728 12219 1 13 . 1 1 10 10 PRO HA H 10 4.335 4.335 4.398 -0.063 18728 12220 1 13 . 1 1 10 10 PRO C C 10 177.491 177.491 177.556 -0.065 18728 12221 1 13 . 1 1 10 10 PRO CA C 10 63.587 63.587 62.277 1.310 18728 12222 1 13 . 1 1 10 10 PRO CB C 10 32.374 32.374 32.869 -0.495 18728 12223 1 13 . 1 1 11 11 GLU N N 11 123.071 123.071 121.403 1.668 18728 12224 1 13 . 1 1 11 11 GLU HA H 11 3.686 3.686 3.919 -0.233 18728 12225 1 13 . 1 1 11 11 GLU C C 11 177.984 177.984 177.886 0.098 18728 12226 1 13 . 1 1 11 11 GLU CA C 11 59.651 59.651 60.013 -0.362 18728 12227 1 13 . 1 1 11 11 GLU CB C 11 29.819 29.819 28.522 1.297 18728 12228 1 13 . 1 1 11 11 GLU H H 11 8.692 8.692 8.877 -0.185 18728 12229 1 13 . 1 1 12 12 GLN N N 12 116.079 116.079 114.921 1.158 18728 12230 1 13 . 1 1 12 12 GLN HA H 12 3.979 3.979 4.183 -0.204 18728 12231 1 13 . 1 1 12 12 GLN C C 12 177.579 177.579 177.449 0.130 18728 12232 1 13 . 1 1 12 12 GLN CA C 12 58.526 58.526 58.234 0.292 18728 12233 1 13 . 1 1 12 12 GLN CB C 12 28.112 28.112 28.227 -0.115 18728 12234 1 13 . 1 1 12 12 GLN H H 12 8.647 8.647 8.368 0.279 18728 12235 1 13 . 1 1 13 13 LEU N N 13 116.530 116.530 118.587 -2.057 18728 12236 1 13 . 1 1 13 13 LEU HA H 13 4.264 4.264 4.401 -0.137 18728 12237 1 13 . 1 1 13 13 LEU C C 13 177.080 177.080 177.137 -0.057 18728 12238 1 13 . 1 1 13 13 LEU CA C 13 55.945 55.945 55.839 0.106 18728 12239 1 13 . 1 1 13 13 LEU CB C 13 42.317 42.317 42.181 0.137 18728 12240 1 13 . 1 1 13 13 LEU H H 13 7.471 7.471 7.681 -0.210 18728 12241 1 13 . 1 1 14 14 ARG N N 14 116.981 116.981 114.194 2.787 18728 12242 1 13 . 1 1 14 14 ARG HA H 14 4.417 4.417 4.539 -0.122 18728 12243 1 13 . 1 1 14 14 ARG C C 14 172.996 172.996 175.510 -2.514 18728 12244 1 13 . 1 1 14 14 ARG CA C 14 56.067 56.067 55.655 0.412 18728 12245 1 13 . 1 1 14 14 ARG CB C 14 29.944 29.944 31.254 -1.310 18728 12246 1 13 . 1 1 14 14 ARG H H 14 7.576 7.576 7.605 -0.029 18728 12247 1 13 . 1 1 15 15 LYS N N 15 119.990 119.990 122.369 -2.379 18728 12248 1 13 . 1 1 15 15 LYS HA H 15 5.198 5.198 5.137 0.061 18728 12249 1 13 . 1 1 15 15 LYS CA C 15 55.301 55.301 55.325 -0.024 18728 12250 1 13 . 1 1 15 15 LYS CB C 15 35.888 35.888 35.301 0.587 18728 12251 1 13 . 1 1 15 15 LYS H H 15 6.946 6.946 7.708 -0.762 18728 12252 1 13 . 1 1 16 16 LEU N N 16 126.081 126.081 123.374 2.707 18728 12253 1 13 . 1 1 16 16 LEU HA H 16 5.016 5.016 5.114 -0.098 18728 12254 1 13 . 1 1 16 16 LEU C C 16 176.309 176.309 175.685 0.624 18728 12255 1 13 . 1 1 16 16 LEU CA C 16 53.334 53.334 53.044 0.290 18728 12256 1 13 . 1 1 16 16 LEU CB C 16 45.062 45.062 45.284 -0.222 18728 12257 1 13 . 1 1 16 16 LEU H H 16 9.605 9.605 9.006 0.599 18728 12258 1 13 . 1 1 17 17 PHE N N 17 123.569 123.569 124.985 -1.416 18728 12259 1 13 . 1 1 17 17 PHE HA H 17 4.585 4.585 5.141 -0.556 18728 12260 1 13 . 1 1 17 17 PHE C C 17 174.362 174.362 174.076 0.286 18728 12261 1 13 . 1 1 17 17 PHE CA C 17 57.153 57.153 56.007 1.146 18728 12262 1 13 . 1 1 17 17 PHE CB C 17 40.603 40.603 41.008 -0.404 18728 12263 1 13 . 1 1 17 17 PHE H H 17 9.023 9.023 9.221 -0.198 18728 12264 1 13 . 1 1 18 18 ILE N N 18 126.932 126.932 128.192 -1.260 18728 12265 1 13 . 1 1 18 18 ILE HA H 18 4.029 4.029 4.311 -0.282 18728 12266 1 13 . 1 1 18 18 ILE C C 18 173.832 173.832 174.925 -1.093 18728 12267 1 13 . 1 1 18 18 ILE CA C 18 59.156 59.156 57.916 1.240 18728 12268 1 13 . 1 1 18 18 ILE CB C 18 36.909 36.909 36.723 0.186 18728 12269 1 13 . 1 1 18 18 ILE H H 18 8.486 8.486 8.636 -0.150 18728 12270 1 13 . 1 1 19 19 GLY N N 19 112.953 112.953 112.612 0.341 18728 12271 1 13 . 1 1 19 19 GLY C C 19 174.426 174.426 173.783 0.643 18728 12272 1 13 . 1 1 19 19 GLY CA C 19 43.611 43.611 43.124 0.487 18728 12273 1 13 . 1 1 19 19 GLY H H 19 7.948 7.948 8.745 -0.797 18728 12274 1 13 . 1 1 20 20 GLY N N 20 107.584 107.584 110.788 -3.204 18728 12275 1 13 . 1 1 20 20 GLY C C 20 175.563 175.563 174.493 1.070 18728 12276 1 13 . 1 1 20 20 GLY CA C 20 46.530 46.530 45.151 1.379 18728 12277 1 13 . 1 1 20 20 GLY H H 20 8.542 8.542 8.123 0.419 18728 12278 1 13 . 1 1 21 21 LEU N N 21 115.232 115.232 120.518 -5.286 18728 12279 1 13 . 1 1 21 21 LEU HA H 21 4.025 4.025 4.247 -0.222 18728 12280 1 13 . 1 1 21 21 LEU C C 21 179.121 179.121 177.328 1.793 18728 12281 1 13 . 1 1 21 21 LEU CA C 21 54.192 54.192 54.490 -0.298 18728 12282 1 13 . 1 1 21 21 LEU CB C 21 42.892 42.892 42.581 0.311 18728 12283 1 13 . 1 1 21 21 LEU H H 21 7.472 7.472 8.010 -0.538 18728 12284 1 13 . 1 1 22 22 SER N N 22 114.737 114.737 115.143 -0.406 18728 12285 1 13 . 1 1 22 22 SER HA H 22 4.125 4.125 4.544 -0.419 18728 12286 1 13 . 1 1 22 22 SER C C 22 177.842 177.842 175.535 2.307 18728 12287 1 13 . 1 1 22 22 SER CA C 22 57.635 57.635 57.503 0.132 18728 12288 1 13 . 1 1 22 22 SER CB C 22 63.106 63.106 64.774 -1.668 18728 12289 1 13 . 1 1 22 22 SER H H 22 9.136 9.136 8.257 0.879 18728 12290 1 13 . 1 1 23 23 PHE N N 23 128.194 128.194 120.290 7.904 18728 12291 1 13 . 1 1 23 23 PHE HA H 23 4.307 4.307 4.662 -0.355 18728 12292 1 13 . 1 1 23 23 PHE C C 23 175.626 175.626 175.465 0.161 18728 12293 1 13 . 1 1 23 23 PHE CA C 23 60.205 60.205 58.724 1.481 18728 12294 1 13 . 1 1 23 23 PHE CB C 23 37.570 37.570 39.563 -1.993 18728 12295 1 13 . 1 1 23 23 PHE H H 23 9.034 9.034 8.913 0.121 18728 12296 1 13 . 1 1 24 24 GLU N N 24 116.093 116.093 117.137 -1.044 18728 12297 1 13 . 1 1 24 24 GLU HA H 24 4.255 4.255 4.475 -0.220 18728 12298 1 13 . 1 1 24 24 GLU C C 24 177.429 177.429 175.188 2.241 18728 12299 1 13 . 1 1 24 24 GLU CA C 24 56.522 56.522 54.971 1.551 18728 12300 1 13 . 1 1 24 24 GLU CB C 24 29.980 29.980 30.319 -0.339 18728 12301 1 13 . 1 1 24 24 GLU H H 24 8.295 8.295 7.636 0.659 18728 12302 1 13 . 1 1 25 25 THR N N 25 118.836 118.836 119.417 -0.581 18728 12303 1 13 . 1 1 25 25 THR HA H 25 4.091 4.091 4.270 -0.179 18728 12304 1 13 . 1 1 25 25 THR C C 25 174.238 174.238 174.143 0.095 18728 12305 1 13 . 1 1 25 25 THR CA C 25 64.862 64.862 62.998 1.864 18728 12306 1 13 . 1 1 25 25 THR CB C 25 68.584 68.584 68.944 -0.360 18728 12307 1 13 . 1 1 25 25 THR H H 25 7.280 7.280 7.509 -0.229 18728 12308 1 13 . 1 1 26 26 THR N N 26 119.434 119.434 118.088 1.346 18728 12309 1 13 . 1 1 26 26 THR HA H 26 4.484 4.484 4.536 -0.052 18728 12310 1 13 . 1 1 26 26 THR C C 26 174.563 174.563 175.085 -0.522 18728 12311 1 13 . 1 1 26 26 THR CA C 26 59.361 59.361 59.327 0.034 18728 12312 1 13 . 1 1 26 26 THR CB C 26 72.727 72.727 71.422 1.305 18728 12313 1 13 . 1 1 26 26 THR H H 26 8.447 8.447 8.143 0.304 18728 12314 1 13 . 1 1 27 27 ASP N N 27 120.342 120.342 122.862 -2.520 18728 12315 1 13 . 1 1 27 27 ASP HA H 27 3.920 3.920 4.206 -0.286 18728 12316 1 13 . 1 1 27 27 ASP C C 27 178.347 178.347 177.983 0.364 18728 12317 1 13 . 1 1 27 27 ASP CA C 27 58.148 58.148 58.246 -0.098 18728 12318 1 13 . 1 1 27 27 ASP CB C 27 39.954 39.954 40.843 -0.889 18728 12319 1 13 . 1 1 27 27 ASP H H 27 8.794 8.794 8.916 -0.122 18728 12320 1 13 . 1 1 28 28 GLU N N 28 116.494 116.494 116.809 -0.315 18728 12321 1 13 . 1 1 28 28 GLU HA H 28 3.993 3.993 4.029 -0.036 18728 12322 1 13 . 1 1 28 28 GLU C C 28 178.987 178.987 178.850 0.137 18728 12323 1 13 . 1 1 28 28 GLU CA C 28 60.281 60.281 59.255 1.026 18728 12324 1 13 . 1 1 28 28 GLU CB C 28 29.193 29.193 29.155 0.038 18728 12325 1 13 . 1 1 28 28 GLU H H 28 8.444 8.444 8.838 -0.394 18728 12326 1 13 . 1 1 29 29 SER N N 29 120.532 120.532 116.628 3.904 18728 12327 1 13 . 1 1 29 29 SER HA H 29 4.333 4.333 4.343 -0.010 18728 12328 1 13 . 1 1 29 29 SER C C 29 178.125 178.125 176.552 1.573 18728 12329 1 13 . 1 1 29 29 SER CA C 29 61.720 61.720 61.267 0.453 18728 12330 1 13 . 1 1 29 29 SER H H 29 8.384 8.384 7.648 0.736 18728 12331 1 13 . 1 1 30 30 LEU N N 30 126.754 126.754 124.535 2.219 18728 12332 1 13 . 1 1 30 30 LEU HA H 30 4.080 4.080 4.166 -0.086 18728 12333 1 13 . 1 1 30 30 LEU C C 30 178.341 178.341 177.738 0.603 18728 12334 1 13 . 1 1 30 30 LEU CA C 30 58.073 58.073 57.961 0.112 18728 12335 1 13 . 1 1 30 30 LEU CB C 30 42.524 42.524 41.775 0.749 18728 12336 1 13 . 1 1 30 30 LEU H H 30 8.487 8.487 8.228 0.259 18728 12337 1 13 . 1 1 31 31 ARG N N 31 121.192 121.192 119.315 1.877 18728 12338 1 13 . 1 1 31 31 ARG HA H 31 3.863 3.863 3.863 0.000 18728 12339 1 13 . 1 1 31 31 ARG C C 31 177.765 177.765 178.333 -0.568 18728 12340 1 13 . 1 1 31 31 ARG CA C 31 59.706 59.706 60.227 -0.521 18728 12341 1 13 . 1 1 31 31 ARG CB C 31 30.648 30.648 30.030 0.618 18728 12342 1 13 . 1 1 31 31 ARG H H 31 7.980 7.980 8.585 -0.605 18728 12343 1 13 . 1 1 32 32 SER N N 32 112.868 112.868 113.587 -0.719 18728 12344 1 13 . 1 1 32 32 SER HA H 32 4.104 4.104 4.212 -0.108 18728 12345 1 13 . 1 1 32 32 SER C C 32 176.416 176.416 176.100 0.316 18728 12346 1 13 . 1 1 32 32 SER CA C 32 61.437 61.437 61.583 -0.146 18728 12347 1 13 . 1 1 32 32 SER CB C 32 62.933 62.933 62.961 -0.028 18728 12348 1 13 . 1 1 32 32 SER H H 32 8.295 8.295 7.996 0.299 18728 12349 1 13 . 1 1 33 33 HIS N N 33 115.910 115.910 120.109 -4.199 18728 12350 1 13 . 1 1 33 33 HIS HA H 33 4.346 4.346 4.411 -0.065 18728 12351 1 13 . 1 1 33 33 HIS C C 33 177.510 177.510 178.395 -0.885 18728 12352 1 13 . 1 1 33 33 HIS CA C 33 60.373 60.373 59.856 0.517 18728 12353 1 13 . 1 1 33 33 HIS CB C 33 30.776 30.776 30.431 0.344 18728 12354 1 13 . 1 1 33 33 HIS H H 33 7.406 7.406 7.573 -0.167 18728 12355 1 13 . 1 1 34 34 PHE N N 34 113.562 113.562 119.465 -5.903 18728 12356 1 13 . 1 1 34 34 PHE HA H 34 4.526 4.526 4.887 -0.361 18728 12357 1 13 . 1 1 34 34 PHE C C 34 179.061 179.061 178.384 0.677 18728 12358 1 13 . 1 1 34 34 PHE CA C 34 64.104 64.104 61.931 2.173 18728 12359 1 13 . 1 1 34 34 PHE CB C 34 38.379 38.379 39.072 -0.693 18728 12360 1 13 . 1 1 34 34 PHE H H 34 8.227 8.227 8.505 -0.278 18728 12361 1 13 . 1 1 35 35 GLU N N 35 124.490 124.490 120.403 4.087 18728 12362 1 13 . 1 1 35 35 GLU HA H 35 4.962 4.962 4.352 0.610 18728 12363 1 13 . 1 1 35 35 GLU C C 35 176.476 176.476 177.647 -1.171 18728 12364 1 13 . 1 1 35 35 GLU CA C 35 57.950 57.950 58.643 -0.693 18728 12365 1 13 . 1 1 35 35 GLU CB C 35 28.690 28.690 29.284 -0.594 18728 12366 1 13 . 1 1 35 35 GLU H H 35 9.219 9.219 8.659 0.560 18728 12367 1 13 . 1 1 36 36 GLN N N 36 116.596 116.596 117.168 -0.572 18728 12368 1 13 . 1 1 36 36 GLN HA H 36 3.706 3.706 3.957 -0.251 18728 12369 1 13 . 1 1 36 36 GLN C C 36 176.486 176.486 177.555 -1.069 18728 12370 1 13 . 1 1 36 36 GLN CA C 36 58.206 58.206 57.785 0.421 18728 12371 1 13 . 1 1 36 36 GLN CB C 36 27.731 27.731 28.197 -0.466 18728 12372 1 13 . 1 1 36 36 GLN H H 36 7.011 7.011 7.498 -0.487 18728 12373 1 13 . 1 1 37 37 TRP N N 37 114.690 114.690 117.189 -2.499 18728 12374 1 13 . 1 1 37 37 TRP HA H 37 4.481 4.481 4.846 -0.365 18728 12375 1 13 . 1 1 37 37 TRP C C 37 173.662 173.662 176.460 -2.798 18728 12376 1 13 . 1 1 37 37 TRP CA C 37 61.557 61.557 58.620 2.937 18728 12377 1 13 . 1 1 37 37 TRP CB C 37 29.074 29.074 31.246 -2.172 18728 12378 1 13 . 1 1 37 37 TRP H H 37 7.017 7.017 7.998 -0.981 18728 12379 1 13 . 1 1 38 38 GLY N N 38 105.060 105.060 104.330 0.730 18728 12380 1 13 . 1 1 38 38 GLY C C 38 171.596 171.596 172.216 -0.620 18728 12381 1 13 . 1 1 38 38 GLY CA C 38 45.545 45.545 45.371 0.174 18728 12382 1 13 . 1 1 38 38 GLY H H 38 7.294 7.294 7.668 -0.374 18728 12383 1 13 . 1 1 39 39 THR N N 39 117.179 117.179 118.435 -1.256 18728 12384 1 13 . 1 1 39 39 THR HA H 39 4.231 4.231 4.212 0.019 18728 12385 1 13 . 1 1 39 39 THR C C 39 173.760 173.760 173.988 -0.228 18728 12386 1 13 . 1 1 39 39 THR CA C 39 62.904 62.904 64.370 -1.466 18728 12387 1 13 . 1 1 39 39 THR CB C 39 69.813 69.813 69.112 0.701 18728 12388 1 13 . 1 1 39 39 THR H H 39 8.770 8.770 8.495 0.275 18728 12389 1 13 . 1 1 40 40 LEU N N 40 126.702 126.702 129.158 -2.456 18728 12390 1 13 . 1 1 40 40 LEU HA H 40 4.943 4.943 4.582 0.361 18728 12391 1 13 . 1 1 40 40 LEU C C 40 178.358 178.358 177.824 0.534 18728 12392 1 13 . 1 1 40 40 LEU CA C 40 52.969 52.969 54.298 -1.329 18728 12393 1 13 . 1 1 40 40 LEU CB C 40 41.893 41.893 41.754 0.139 18728 12394 1 13 . 1 1 40 40 LEU H H 40 8.831 8.831 8.668 0.163 18728 12395 1 13 . 1 1 41 41 THR N N 41 117.175 117.175 115.409 1.766 18728 12396 1 13 . 1 1 41 41 THR HA H 41 4.197 4.197 4.242 -0.045 18728 12397 1 13 . 1 1 41 41 THR C C 41 175.050 175.050 174.927 0.123 18728 12398 1 13 . 1 1 41 41 THR CA C 41 62.668 62.668 63.113 -0.445 18728 12399 1 13 . 1 1 41 41 THR CB C 41 67.618 67.618 69.724 -2.106 18728 12400 1 13 . 1 1 41 41 THR H H 41 8.926 8.926 8.668 0.258 18728 12401 1 13 . 1 1 42 42 ASP N N 42 118.764 118.764 120.471 -1.707 18728 12402 1 13 . 1 1 42 42 ASP HA H 42 4.620 4.620 4.797 -0.177 18728 12403 1 13 . 1 1 42 42 ASP C C 42 174.637 174.637 173.831 0.806 18728 12404 1 13 . 1 1 42 42 ASP CA C 42 54.235 54.235 54.185 0.050 18728 12405 1 13 . 1 1 42 42 ASP CB C 42 44.253 44.253 43.940 0.313 18728 12406 1 13 . 1 1 42 42 ASP H H 42 7.513 7.513 7.782 -0.269 18728 12407 1 13 . 1 1 43 43 CYS N N 43 123.632 123.632 122.382 1.250 18728 12408 1 13 . 1 1 43 43 CYS HA H 43 4.842 4.842 5.356 -0.514 18728 12409 1 13 . 1 1 43 43 CYS C C 43 171.885 171.885 172.404 -0.519 18728 12410 1 13 . 1 1 43 43 CYS CA C 43 59.376 59.376 57.907 1.469 18728 12411 1 13 . 1 1 43 43 CYS CB C 43 26.377 26.377 30.418 -4.041 18728 12412 1 13 . 1 1 43 43 CYS H H 43 8.436 8.436 8.557 -0.121 18728 12413 1 13 . 1 1 44 44 VAL N N 44 126.787 126.787 127.269 -0.482 18728 12414 1 13 . 1 1 44 44 VAL HA H 44 4.576 4.576 5.053 -0.477 18728 12415 1 13 . 1 1 44 44 VAL C C 44 173.371 173.371 173.621 -0.250 18728 12416 1 13 . 1 1 44 44 VAL CA C 44 60.151 60.151 60.371 -0.220 18728 12417 1 13 . 1 1 44 44 VAL CB C 44 36.424 36.424 35.150 1.274 18728 12418 1 13 . 1 1 44 44 VAL H H 44 8.737 8.737 8.910 -0.173 18728 12419 1 13 . 1 1 45 45 VAL N N 45 125.522 125.522 128.240 -2.718 18728 12420 1 13 . 1 1 45 45 VAL HA H 45 3.711 3.711 4.029 -0.318 18728 12421 1 13 . 1 1 45 45 VAL C C 45 176.674 176.674 174.834 1.840 18728 12422 1 13 . 1 1 45 45 VAL CA C 45 62.509 62.509 61.382 1.127 18728 12423 1 13 . 1 1 45 45 VAL CB C 45 33.175 33.175 33.360 -0.185 18728 12424 1 13 . 1 1 45 45 VAL H H 45 8.269 8.269 8.241 0.028 18728 12425 1 13 . 1 1 46 46 MET N N 46 126.833 126.833 128.195 -1.362 18728 12426 1 13 . 1 1 46 46 MET HA H 46 4.441 4.441 4.380 0.061 18728 12427 1 13 . 1 1 46 46 MET C C 46 175.413 175.413 174.738 0.675 18728 12428 1 13 . 1 1 46 46 MET CA C 46 54.852 54.852 54.259 0.593 18728 12429 1 13 . 1 1 46 46 MET CB C 46 30.454 30.454 29.757 0.697 18728 12430 1 13 . 1 1 46 46 MET H H 46 8.445 8.445 8.308 0.137 18728 12431 1 13 . 1 1 47 47 ARG N N 47 120.697 120.697 123.593 -2.896 18728 12432 1 13 . 1 1 47 47 ARG HA H 47 4.838 4.838 4.768 0.070 18728 12433 1 13 . 1 1 47 47 ARG CA C 47 54.308 54.308 54.578 -0.270 18728 12434 1 13 . 1 1 47 47 ARG CB C 47 34.048 34.048 32.368 1.680 18728 12435 1 13 . 1 1 47 47 ARG H H 47 8.308 8.308 7.920 0.388 18728 12436 1 13 . 1 1 48 48 ASP N N 48 125.146 125.146 122.013 3.133 18728 12437 1 13 . 1 1 48 48 ASP HA H 48 4.686 4.686 4.909 -0.223 18728 12438 1 13 . 1 1 48 48 ASP C C 48 176.046 176.046 176.038 0.008 18728 12439 1 13 . 1 1 48 48 ASP CA C 48 52.106 52.106 52.112 -0.006 18728 12440 1 13 . 1 1 48 48 ASP CB C 48 42.878 42.878 42.249 0.628 18728 12441 1 13 . 1 1 48 48 ASP H H 48 8.577 8.577 8.351 0.226 18728 12442 1 13 . 1 1 49 49 PRO HA H 49 4.310 4.310 4.209 0.101 18728 12443 1 13 . 1 1 49 49 PRO C C 49 177.166 177.166 178.043 -0.877 18728 12444 1 13 . 1 1 49 49 PRO CA C 49 64.584 64.584 65.068 -0.484 18728 12445 1 13 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.114 0.023 18728 12446 1 13 . 1 1 50 50 ASN N N 50 115.474 115.474 116.594 -1.120 18728 12447 1 13 . 1 1 50 50 ASN HA H 50 4.723 4.723 4.709 0.014 18728 12448 1 13 . 1 1 50 50 ASN C C 50 176.642 176.642 177.154 -0.512 18728 12449 1 13 . 1 1 50 50 ASN CA C 50 55.444 55.444 56.004 -0.560 18728 12450 1 13 . 1 1 50 50 ASN CB C 50 39.455 39.455 39.454 0.001 18728 12451 1 13 . 1 1 50 50 ASN H H 50 8.560 8.560 9.039 -0.479 18728 12452 1 13 . 1 1 51 51 THR N N 51 108.788 108.788 110.824 -2.036 18728 12453 1 13 . 1 1 51 51 THR HA H 51 4.264 4.264 4.400 -0.136 18728 12454 1 13 . 1 1 51 51 THR C C 51 176.018 176.018 174.904 1.114 18728 12455 1 13 . 1 1 51 51 THR CA C 51 62.063 62.063 62.572 -0.509 18728 12456 1 13 . 1 1 51 51 THR CB C 51 70.768 70.768 69.813 0.955 18728 12457 1 13 . 1 1 51 51 THR H H 51 8.277 8.277 7.794 0.483 18728 12458 1 13 . 1 1 52 52 LYS N N 52 114.615 114.615 115.741 -1.126 18728 12459 1 13 . 1 1 52 52 LYS HA H 52 3.917 3.917 3.991 -0.074 18728 12460 1 13 . 1 1 52 52 LYS C C 52 175.376 175.376 175.012 0.364 18728 12461 1 13 . 1 1 52 52 LYS CA C 52 57.902 57.902 57.209 0.693 18728 12462 1 13 . 1 1 52 52 LYS CB C 52 29.293 29.293 29.649 -0.356 18728 12463 1 13 . 1 1 52 52 LYS H H 52 8.091 8.091 8.117 -0.026 18728 12464 1 13 . 1 1 53 53 ARG N N 53 120.395 120.395 117.901 2.494 18728 12465 1 13 . 1 1 53 53 ARG HA H 53 4.169 4.169 4.363 -0.194 18728 12466 1 13 . 1 1 53 53 ARG C C 53 176.619 176.619 175.869 0.750 18728 12467 1 13 . 1 1 53 53 ARG CA C 53 56.233 56.233 52.839 3.394 18728 12468 1 13 . 1 1 53 53 ARG CB C 53 31.045 31.045 31.574 -0.529 18728 12469 1 13 . 1 1 53 53 ARG H H 53 7.847 7.847 7.304 0.543 18728 12470 1 13 . 1 1 54 54 SER N N 54 116.987 116.987 117.248 -0.261 18728 12471 1 13 . 1 1 54 54 SER HA H 54 4.186 4.186 4.267 -0.081 18728 12472 1 13 . 1 1 54 54 SER C C 54 175.755 175.755 175.282 0.473 18728 12473 1 13 . 1 1 54 54 SER CA C 54 58.559 58.559 59.715 -1.156 18728 12474 1 13 . 1 1 54 54 SER CB C 54 63.922 63.922 63.186 0.736 18728 12475 1 13 . 1 1 54 54 SER H H 54 8.810 8.810 7.863 0.947 18728 12476 1 13 . 1 1 55 55 ARG N N 55 123.427 123.427 125.644 -2.217 18728 12477 1 13 . 1 1 55 55 ARG HA H 55 4.403 4.403 4.386 0.017 18728 12478 1 13 . 1 1 55 55 ARG C C 55 177.962 177.962 176.874 1.088 18728 12479 1 13 . 1 1 55 55 ARG CA C 55 56.096 56.096 56.275 -0.179 18728 12480 1 13 . 1 1 55 55 ARG CB C 55 31.294 31.294 30.308 0.987 18728 12481 1 13 . 1 1 55 55 ARG H H 55 8.976 8.976 8.864 0.112 18728 12482 1 13 . 1 1 56 56 GLY N N 56 107.308 107.308 106.225 1.083 18728 12483 1 13 . 1 1 56 56 GLY C C 56 171.856 171.856 173.707 -1.851 18728 12484 1 13 . 1 1 56 56 GLY CA C 56 45.669 45.669 45.180 0.489 18728 12485 1 13 . 1 1 56 56 GLY H H 56 9.375 9.375 8.549 0.826 18728 12486 1 13 . 1 1 57 57 PHE N N 57 112.537 112.537 115.905 -3.368 18728 12487 1 13 . 1 1 57 57 PHE HA H 57 5.201 5.201 5.481 -0.280 18728 12488 1 13 . 1 1 57 57 PHE C C 57 172.646 172.646 173.032 -0.386 18728 12489 1 13 . 1 1 57 57 PHE CA C 57 54.918 54.918 54.984 -0.066 18728 12490 1 13 . 1 1 57 57 PHE CB C 57 41.743 41.743 41.068 0.675 18728 12491 1 13 . 1 1 57 57 PHE H H 57 7.044 7.044 7.218 -0.174 18728 12492 1 13 . 1 1 58 58 GLY N N 58 106.816 106.816 106.521 0.295 18728 12493 1 13 . 1 1 58 58 GLY C C 58 169.931 169.931 171.056 -1.125 18728 12494 1 13 . 1 1 58 58 GLY CA C 58 45.304 45.304 44.436 0.868 18728 12495 1 13 . 1 1 58 58 GLY H H 58 8.345 8.345 8.206 0.139 18728 12496 1 13 . 1 1 59 59 PHE N N 59 115.179 115.179 115.466 -0.287 18728 12497 1 13 . 1 1 59 59 PHE HA H 59 5.645 5.645 5.568 0.077 18728 12498 1 13 . 1 1 59 59 PHE C C 59 174.929 174.929 174.134 0.795 18728 12499 1 13 . 1 1 59 59 PHE CA C 59 56.541 56.541 56.313 0.228 18728 12500 1 13 . 1 1 59 59 PHE CB C 59 43.984 43.984 43.639 0.345 18728 12501 1 13 . 1 1 59 59 PHE H H 59 8.903 8.903 8.514 0.389 18728 12502 1 13 . 1 1 60 60 VAL N N 60 115.310 115.310 117.296 -1.986 18728 12503 1 13 . 1 1 60 60 VAL HA H 60 4.540 4.540 4.756 -0.216 18728 12504 1 13 . 1 1 60 60 VAL C C 60 173.246 173.246 175.044 -1.798 18728 12505 1 13 . 1 1 60 60 VAL CA C 60 59.421 59.421 60.339 -0.918 18728 12506 1 13 . 1 1 60 60 VAL CB C 60 34.678 34.678 33.299 1.379 18728 12507 1 13 . 1 1 60 60 VAL H H 60 8.569 8.569 8.932 -0.363 18728 12508 1 13 . 1 1 61 61 THR N N 61 120.158 120.158 123.393 -3.235 18728 12509 1 13 . 1 1 61 61 THR HA H 61 5.068 5.068 4.890 0.178 18728 12510 1 13 . 1 1 61 61 THR C C 61 173.985 173.985 173.908 0.077 18728 12511 1 13 . 1 1 61 61 THR CA C 61 61.033 61.033 62.117 -1.084 18728 12512 1 13 . 1 1 61 61 THR CB C 61 70.114 70.114 69.728 0.386 18728 12513 1 13 . 1 1 61 61 THR H H 61 8.180 8.180 8.972 -0.792 18728 12514 1 13 . 1 1 62 62 TYR N N 62 125.280 125.280 127.000 -1.720 18728 12515 1 13 . 1 1 62 62 TYR HA H 62 5.357 5.357 4.760 0.597 18728 12516 1 13 . 1 1 62 62 TYR C C 62 176.696 176.696 176.325 0.371 18728 12517 1 13 . 1 1 62 62 TYR CA C 62 58.297 58.297 58.652 -0.355 18728 12518 1 13 . 1 1 62 62 TYR CB C 62 42.217 42.217 40.132 2.085 18728 12519 1 13 . 1 1 62 62 TYR H H 62 8.407 8.407 8.856 -0.449 18728 12520 1 13 . 1 1 63 63 ALA N N 63 121.648 121.648 122.432 -0.784 18728 12521 1 13 . 1 1 63 63 ALA HA H 63 4.052 4.052 4.186 -0.134 18728 12522 1 13 . 1 1 63 63 ALA C C 63 178.252 178.252 176.960 1.292 18728 12523 1 13 . 1 1 63 63 ALA CA C 63 55.269 55.269 54.581 0.688 18728 12524 1 13 . 1 1 63 63 ALA CB C 63 19.068 19.068 19.594 -0.526 18728 12525 1 13 . 1 1 63 63 ALA H H 63 8.749 8.749 8.886 -0.137 18728 12526 1 13 . 1 1 64 64 THR N N 64 105.238 105.238 110.269 -5.031 18728 12527 1 13 . 1 1 64 64 THR HA H 64 4.902 4.902 4.631 0.271 18728 12528 1 13 . 1 1 64 64 THR C C 64 174.667 174.667 174.290 0.377 18728 12529 1 13 . 1 1 64 64 THR CA C 64 59.184 59.184 61.120 -1.936 18728 12530 1 13 . 1 1 64 64 THR CB C 64 73.193 73.193 72.540 0.653 18728 12531 1 13 . 1 1 64 64 THR H H 64 7.992 7.992 7.468 0.524 18728 12532 1 13 . 1 1 65 65 VAL N N 65 120.939 120.939 123.927 -2.988 18728 12533 1 13 . 1 1 65 65 VAL HA H 65 3.670 3.670 3.715 -0.045 18728 12534 1 13 . 1 1 65 65 VAL C C 65 177.446 177.446 176.837 0.609 18728 12535 1 13 . 1 1 65 65 VAL CA C 65 65.535 65.535 66.115 -0.580 18728 12536 1 13 . 1 1 65 65 VAL CB C 65 31.538 31.538 32.082 -0.544 18728 12537 1 13 . 1 1 65 65 VAL H H 65 8.968 8.968 8.606 0.362 18728 12538 1 13 . 1 1 66 66 GLU N N 66 120.818 120.818 119.724 1.094 18728 12539 1 13 . 1 1 66 66 GLU HA H 66 4.045 4.045 3.872 0.173 18728 12540 1 13 . 1 1 66 66 GLU C C 66 180.056 180.056 178.708 1.348 18728 12541 1 13 . 1 1 66 66 GLU CA C 66 60.430 60.430 59.883 0.548 18728 12542 1 13 . 1 1 66 66 GLU CB C 66 28.909 28.909 28.751 0.158 18728 12543 1 13 . 1 1 66 66 GLU H H 66 8.686 8.686 8.859 -0.173 18728 12544 1 13 . 1 1 67 67 GLU N N 67 120.729 120.729 118.149 2.580 18728 12545 1 13 . 1 1 67 67 GLU HA H 67 3.853 3.853 4.008 -0.155 18728 12546 1 13 . 1 1 67 67 GLU C C 67 177.040 177.040 178.425 -1.385 18728 12547 1 13 . 1 1 67 67 GLU CA C 67 59.391 59.391 58.850 0.541 18728 12548 1 13 . 1 1 67 67 GLU CB C 67 29.590 29.590 28.768 0.822 18728 12549 1 13 . 1 1 67 67 GLU H H 67 7.487 7.487 8.329 -0.842 18728 12550 1 13 . 1 1 68 68 VAL N N 68 118.408 118.408 119.665 -1.257 18728 12551 1 13 . 1 1 68 68 VAL HA H 68 3.165 3.165 3.043 0.122 18728 12552 1 13 . 1 1 68 68 VAL C C 68 178.293 178.293 177.549 0.744 18728 12553 1 13 . 1 1 68 68 VAL CA C 68 66.391 66.391 66.971 -0.580 18728 12554 1 13 . 1 1 68 68 VAL CB C 68 31.092 31.092 31.736 -0.644 18728 12555 1 13 . 1 1 68 68 VAL H H 68 6.882 6.882 7.156 -0.274 18728 12556 1 13 . 1 1 69 69 ASP N N 69 119.356 119.356 119.910 -0.554 18728 12557 1 13 . 1 1 69 69 ASP HA H 69 4.128 4.128 4.224 -0.096 18728 12558 1 13 . 1 1 69 69 ASP C C 69 178.765 178.765 178.109 0.656 18728 12559 1 13 . 1 1 69 69 ASP CA C 69 57.394 57.394 57.740 -0.346 18728 12560 1 13 . 1 1 69 69 ASP CB C 69 39.879 39.879 40.724 -0.845 18728 12561 1 13 . 1 1 69 69 ASP H H 69 8.109 8.109 7.892 0.217 18728 12562 1 13 . 1 1 70 70 ALA N N 70 123.031 123.031 120.944 2.087 18728 12563 1 13 . 1 1 70 70 ALA HA H 70 4.070 4.070 4.049 0.021 18728 12564 1 13 . 1 1 70 70 ALA C C 70 180.518 180.518 179.369 1.149 18728 12565 1 13 . 1 1 70 70 ALA CA C 70 55.209 55.209 55.222 -0.014 18728 12566 1 13 . 1 1 70 70 ALA CB C 70 18.104 18.104 18.293 -0.189 18728 12567 1 13 . 1 1 70 70 ALA H H 70 7.736 7.736 7.966 -0.230 18728 12568 1 13 . 1 1 71 71 ALA N N 71 121.446 121.446 120.111 1.335 18728 12569 1 13 . 1 1 71 71 ALA HA H 71 3.034 3.034 3.650 -0.616 18728 12570 1 13 . 1 1 71 71 ALA C C 71 182.248 182.248 179.780 2.468 18728 12571 1 13 . 1 1 71 71 ALA CA C 71 55.251 55.251 54.453 0.798 18728 12572 1 13 . 1 1 71 71 ALA CB C 71 17.976 17.976 18.319 -0.343 18728 12573 1 13 . 1 1 71 71 ALA H H 71 8.101 8.101 7.221 0.880 18728 12574 1 13 . 1 1 72 72 MET N N 72 118.027 118.027 117.774 0.253 18728 12575 1 13 . 1 1 72 72 MET HA H 72 4.430 4.430 4.125 0.305 18728 12576 1 13 . 1 1 72 72 MET C C 72 179.409 179.409 178.373 1.036 18728 12577 1 13 . 1 1 72 72 MET CA C 72 56.379 56.379 58.497 -2.118 18728 12578 1 13 . 1 1 72 72 MET CB C 72 30.498 30.498 31.995 -1.497 18728 12579 1 13 . 1 1 72 72 MET H H 72 8.681 8.681 8.358 0.323 18728 12580 1 13 . 1 1 73 73 ASN N N 73 119.415 119.415 117.955 1.460 18728 12581 1 13 . 1 1 73 73 ASN HA H 73 4.627 4.627 4.583 0.044 18728 12582 1 13 . 1 1 73 73 ASN C C 73 175.014 175.014 177.053 -2.039 18728 12583 1 13 . 1 1 73 73 ASN CA C 73 54.323 54.323 55.416 -1.093 18728 12584 1 13 . 1 1 73 73 ASN CB C 73 38.468 38.468 38.426 0.042 18728 12585 1 13 . 1 1 73 73 ASN H H 73 8.096 8.096 8.270 -0.174 18728 12586 1 13 . 1 1 74 74 ALA N N 74 122.253 122.253 121.634 0.619 18728 12587 1 13 . 1 1 74 74 ALA HA H 74 4.299 4.299 4.184 0.115 18728 12588 1 13 . 1 1 74 74 ALA C C 74 175.305 175.305 177.315 -2.010 18728 12589 1 13 . 1 1 74 74 ALA CA C 74 51.273 51.273 52.257 -0.984 18728 12590 1 13 . 1 1 74 74 ALA CB C 74 18.922 18.922 18.733 0.189 18728 12591 1 13 . 1 1 74 74 ALA H H 74 6.966 6.966 7.420 -0.454 18728 12592 1 13 . 1 1 75 75 ARG N N 75 116.833 116.833 120.117 -3.284 18728 12593 1 13 . 1 1 75 75 ARG HA H 75 3.608 3.608 4.375 -0.767 18728 12594 1 13 . 1 1 75 75 ARG CA C 75 55.086 55.086 55.516 -0.430 18728 12595 1 13 . 1 1 75 75 ARG CB C 75 30.199 30.199 29.965 0.234 18728 12596 1 13 . 1 1 75 75 ARG H H 75 6.749 6.749 7.323 -0.574 18728 12597 1 13 . 1 1 76 76 PRO HA H 76 4.434 4.434 4.491 -0.057 18728 12598 1 13 . 1 1 76 76 PRO C C 76 175.590 175.590 175.954 -0.364 18728 12599 1 13 . 1 1 76 76 PRO CA C 76 61.614 61.614 62.630 -1.016 18728 12600 1 13 . 1 1 76 76 PRO CB C 76 34.982 34.982 32.530 2.452 18728 12601 1 13 . 1 1 77 77 HIS N N 77 122.039 122.039 120.140 1.899 18728 12602 1 13 . 1 1 77 77 HIS HA H 77 4.559 4.559 4.842 -0.283 18728 12603 1 13 . 1 1 77 77 HIS C C 77 173.137 173.137 174.564 -1.427 18728 12604 1 13 . 1 1 77 77 HIS CA C 77 56.231 56.231 55.753 0.478 18728 12605 1 13 . 1 1 77 77 HIS CB C 77 32.909 32.909 33.543 -0.634 18728 12606 1 13 . 1 1 77 77 HIS H H 77 9.384 9.384 8.403 0.981 18728 12607 1 13 . 1 1 78 78 LYS N N 78 125.607 125.607 123.805 1.802 18728 12608 1 13 . 1 1 78 78 LYS HA H 78 4.939 4.939 5.196 -0.257 18728 12609 1 13 . 1 1 78 78 LYS C C 78 174.858 174.858 174.825 0.033 18728 12610 1 13 . 1 1 78 78 LYS CA C 78 54.755 54.755 55.569 -0.814 18728 12611 1 13 . 1 1 78 78 LYS CB C 78 33.475 33.475 34.169 -0.694 18728 12612 1 13 . 1 1 78 78 LYS H H 78 8.485 8.485 8.634 -0.149 18728 12613 1 13 . 1 1 79 79 VAL N N 79 124.596 124.596 125.322 -0.726 18728 12614 1 13 . 1 1 79 79 VAL HA H 79 3.955 3.955 3.651 0.304 18728 12615 1 13 . 1 1 79 79 VAL C C 79 176.295 176.295 175.241 1.054 18728 12616 1 13 . 1 1 79 79 VAL CA C 79 60.737 60.737 61.203 -0.466 18728 12617 1 13 . 1 1 79 79 VAL CB C 79 33.249 33.249 33.260 -0.011 18728 12618 1 13 . 1 1 79 79 VAL H H 79 8.581 8.581 8.243 0.338 18728 12619 1 13 . 1 1 80 80 ASP N N 80 128.668 128.668 125.773 2.895 18728 12620 1 13 . 1 1 80 80 ASP HA H 80 4.228 4.228 4.276 -0.048 18728 12621 1 13 . 1 1 80 80 ASP C C 80 175.744 175.744 176.200 -0.456 18728 12622 1 13 . 1 1 80 80 ASP CA C 80 55.882 55.882 54.872 1.010 18728 12623 1 13 . 1 1 80 80 ASP CB C 80 39.692 39.692 40.404 -0.711 18728 12624 1 13 . 1 1 80 80 ASP H H 80 9.553 9.553 9.170 0.383 18728 12625 1 13 . 1 1 81 81 GLY N N 81 101.527 101.527 103.401 -1.874 18728 12626 1 13 . 1 1 81 81 GLY C C 81 173.560 173.560 173.766 -0.206 18728 12627 1 13 . 1 1 81 81 GLY CA C 81 45.445 45.445 45.629 -0.184 18728 12628 1 13 . 1 1 81 81 GLY H H 81 8.488 8.488 8.545 -0.057 18728 12629 1 13 . 1 1 82 82 ARG N N 82 120.493 120.493 119.838 0.655 18728 12630 1 13 . 1 1 82 82 ARG HA H 82 4.640 4.640 4.637 0.003 18728 12631 1 13 . 1 1 82 82 ARG C C 82 174.512 174.512 174.774 -0.262 18728 12632 1 13 . 1 1 82 82 ARG CA C 82 53.161 53.161 54.132 -0.971 18728 12633 1 13 . 1 1 82 82 ARG CB C 82 32.507 32.507 33.101 -0.594 18728 12634 1 13 . 1 1 82 82 ARG H H 82 7.555 7.555 7.525 0.030 18728 12635 1 13 . 1 1 83 83 VAL N N 83 124.855 124.855 127.410 -2.555 18728 12636 1 13 . 1 1 83 83 VAL HA H 83 4.501 4.501 4.507 -0.006 18728 12637 1 13 . 1 1 83 83 VAL C C 83 176.701 176.701 174.906 1.795 18728 12638 1 13 . 1 1 83 83 VAL CA C 83 63.290 63.290 61.737 1.553 18728 12639 1 13 . 1 1 83 83 VAL CB C 83 30.867 30.867 32.158 -1.291 18728 12640 1 13 . 1 1 83 83 VAL H H 83 8.633 8.633 8.642 -0.009 18728 12641 1 13 . 1 1 84 84 VAL N N 84 122.944 122.944 123.694 -0.750 18728 12642 1 13 . 1 1 84 84 VAL HA H 84 4.667 4.667 4.866 -0.199 18728 12643 1 13 . 1 1 84 84 VAL C C 84 174.969 174.969 174.364 0.605 18728 12644 1 13 . 1 1 84 84 VAL CA C 84 59.499 59.499 59.545 -0.046 18728 12645 1 13 . 1 1 84 84 VAL CB C 84 32.761 32.761 34.744 -1.983 18728 12646 1 13 . 1 1 84 84 VAL H H 84 8.391 8.391 8.324 0.067 18728 12647 1 13 . 1 1 85 85 GLU N N 85 120.907 120.907 123.434 -2.527 18728 12648 1 13 . 1 1 85 85 GLU HA H 85 5.087 5.087 4.968 0.119 18728 12649 1 13 . 1 1 85 85 GLU CA C 85 52.949 52.949 52.407 0.542 18728 12650 1 13 . 1 1 85 85 GLU CB C 85 31.367 31.367 31.104 0.263 18728 12651 1 13 . 1 1 85 85 GLU H H 85 8.681 8.681 9.038 -0.357 18728 12652 1 13 . 1 1 86 86 PRO HA H 86 5.383 5.383 4.759 0.624 18728 12653 1 13 . 1 1 86 86 PRO C C 86 175.908 175.908 175.985 -0.077 18728 12654 1 13 . 1 1 86 86 PRO CA C 86 61.444 61.444 62.576 -1.132 18728 12655 1 13 . 1 1 86 86 PRO CB C 86 32.657 32.657 32.282 0.374 18728 12656 1 13 . 1 1 87 87 LYS N N 87 121.252 121.252 120.565 0.687 18728 12657 1 13 . 1 1 87 87 LYS HA H 87 4.688 4.688 5.050 -0.362 18728 12658 1 13 . 1 1 87 87 LYS C C 87 175.676 175.676 176.320 -0.644 18728 12659 1 13 . 1 1 87 87 LYS CA C 87 55.101 55.101 53.869 1.232 18728 12660 1 13 . 1 1 87 87 LYS CB C 87 36.608 36.608 36.580 0.028 18728 12661 1 13 . 1 1 87 87 LYS H H 87 9.397 9.397 8.701 0.696 18728 12662 1 13 . 1 1 88 88 ARG N N 88 123.272 123.272 120.515 2.757 18728 12663 1 13 . 1 1 88 88 ARG HA H 88 4.375 4.375 4.532 -0.157 18728 12664 1 13 . 1 1 88 88 ARG C C 88 177.011 177.011 176.433 0.578 18728 12665 1 13 . 1 1 88 88 ARG CA C 88 57.209 57.209 55.744 1.465 18728 12666 1 13 . 1 1 88 88 ARG CB C 88 30.452 30.452 31.186 -0.734 18728 12667 1 13 . 1 1 88 88 ARG H H 88 8.940 8.940 8.899 0.041 18728 12668 1 13 . 1 1 89 89 ALA N N 89 126.260 126.260 126.911 -0.651 18728 12669 1 13 . 1 1 89 89 ALA HA H 89 4.259 4.259 4.744 -0.485 18728 12670 1 13 . 1 1 89 89 ALA C C 89 177.452 177.452 176.019 1.433 18728 12671 1 13 . 1 1 89 89 ALA CA C 89 53.712 53.712 51.092 2.620 18728 12672 1 13 . 1 1 89 89 ALA CB C 89 18.824 18.824 19.001 -0.177 18728 12673 1 13 . 1 1 89 89 ALA H H 89 8.424 8.424 8.082 0.342 18728 12674 1 13 . 1 1 90 90 VAL N N 90 115.835 115.835 123.260 -7.425 18728 12675 1 13 . 1 1 90 90 VAL HA H 90 4.182 4.182 4.065 0.117 18728 12676 1 13 . 1 1 90 90 VAL C C 90 175.397 175.397 175.898 -0.501 18728 12677 1 13 . 1 1 90 90 VAL CA C 90 61.516 61.516 62.194 -0.678 18728 12678 1 13 . 1 1 90 90 VAL CB C 90 33.448 33.448 32.925 0.523 18728 12679 1 13 . 1 1 90 90 VAL H H 90 7.892 7.892 7.974 -0.082 18728 12680 1 13 . 1 1 91 91 SER N N 91 119.224 119.224 120.874 -1.650 18728 12681 1 13 . 1 1 91 91 SER HA H 91 4.420 4.420 4.371 0.049 18728 12682 1 13 . 1 1 91 91 SER CA C 91 57.888 57.888 59.261 -1.373 18728 12683 1 13 . 1 1 91 91 SER CB C 91 63.788 63.788 64.048 -0.260 18728 12684 1 13 . 1 1 91 91 SER H H 91 8.327 8.327 8.567 -0.240 18728 12685 1 13 . 1 1 92 92 ARG HA H 92 4.231 4.231 4.037 0.194 18728 12686 1 13 . 1 1 92 92 ARG C C 92 176.651 176.651 177.067 -0.416 18728 12687 1 13 . 1 1 92 92 ARG CA C 92 56.671 56.671 58.031 -1.360 18728 12688 1 13 . 1 1 92 92 ARG CB C 92 30.776 30.776 30.179 0.597 18728 12689 1 13 . 1 1 92 92 ARG H H 92 8.425 8.425 8.759 -0.334 18728 12690 1 13 . 1 1 93 93 GLU N N 93 121.483 121.483 117.213 4.270 18728 12691 1 13 . 1 1 93 93 GLU HA H 93 4.181 4.181 4.110 0.071 18728 12692 1 13 . 1 1 93 93 GLU C C 93 176.605 176.605 178.098 -1.493 18728 12693 1 13 . 1 1 93 93 GLU CA C 93 57.185 57.185 58.683 -1.498 18728 12694 1 13 . 1 1 93 93 GLU CB C 93 30.015 30.015 29.282 0.733 18728 12695 1 13 . 1 1 93 93 GLU H H 93 8.503 8.503 8.264 0.239 18728 12696 1 13 . 1 1 94 94 ASP N N 94 121.305 121.305 119.359 1.946 18728 12697 1 13 . 1 1 94 94 ASP HA H 94 4.540 4.540 4.513 0.027 18728 12698 1 13 . 1 1 94 94 ASP C C 94 176.744 176.744 178.047 -1.303 18728 12699 1 13 . 1 1 94 94 ASP CA C 94 54.678 54.678 56.046 -1.368 18728 12700 1 13 . 1 1 94 94 ASP CB C 94 41.183 41.183 41.039 0.144 18728 12701 1 13 . 1 1 94 94 ASP H H 94 8.229 8.229 7.782 0.447 18728 12702 1 13 . 1 1 95 95 SER N N 95 115.787 115.787 114.560 1.227 18728 12703 1 13 . 1 1 95 95 SER HA H 95 4.286 4.286 4.117 0.169 18728 12704 1 13 . 1 1 95 95 SER C C 95 174.602 174.602 175.251 -0.649 18728 12705 1 13 . 1 1 95 95 SER CA C 95 58.957 58.957 59.761 -0.804 18728 12706 1 13 . 1 1 95 95 SER CB C 95 64.524 64.524 62.718 1.806 18728 12707 1 13 . 1 1 95 95 SER H H 95 8.109 8.109 7.423 0.686 18728 12708 1 13 . 1 1 96 96 GLN N N 96 120.796 120.796 119.924 0.872 18728 12709 1 13 . 1 1 96 96 GLN HA H 96 4.297 4.297 4.141 0.156 18728 12710 1 13 . 1 1 96 96 GLN C C 96 175.742 175.742 176.182 -0.440 18728 12711 1 13 . 1 1 96 96 GLN CA C 96 55.721 55.721 57.119 -1.398 18728 12712 1 13 . 1 1 96 96 GLN CB C 96 29.313 29.313 29.218 0.095 18728 12713 1 13 . 1 1 96 96 GLN H H 96 8.161 8.161 7.220 0.941 18728 12714 1 13 . 1 1 97 97 ARG N N 97 122.462 122.462 120.506 1.956 18728 12715 1 13 . 1 1 97 97 ARG HA H 97 4.552 4.552 4.561 -0.009 18728 12716 1 13 . 1 1 97 97 ARG CA C 97 54.096 54.096 52.715 1.381 18728 12717 1 13 . 1 1 97 97 ARG CB C 97 30.115 30.115 28.885 1.230 18728 12718 1 13 . 1 1 97 97 ARG H H 97 8.029 8.029 7.638 0.391 18728 12719 1 13 . 1 1 98 98 PRO HA H 98 4.362 4.362 4.310 0.052 18728 12720 1 13 . 1 1 98 98 PRO C C 98 177.715 177.715 177.314 0.401 18728 12721 1 13 . 1 1 98 98 PRO CA C 98 63.592 63.592 63.217 0.375 18728 12722 1 13 . 1 1 98 98 PRO CB C 98 31.955 31.955 31.523 0.432 18728 12723 1 13 . 1 1 99 99 GLY N N 99 109.572 109.572 112.375 -2.803 18728 12724 1 13 . 1 1 99 99 GLY C C 99 174.356 174.356 175.458 -1.102 18728 12725 1 13 . 1 1 99 99 GLY CA C 99 45.395 45.395 44.981 0.414 18728 12726 1 13 . 1 1 99 99 GLY H H 99 8.516 8.516 8.525 -0.009 18728 12727 1 13 . 1 1 100 100 ALA N N 100 123.418 123.418 122.388 1.030 18728 12728 1 13 . 1 1 100 100 ALA HA H 100 4.141 4.141 3.943 0.198 18728 12729 1 13 . 1 1 100 100 ALA CA C 100 53.160 53.160 54.021 -0.861 18728 12730 1 13 . 1 1 100 100 ALA CB C 100 19.185 19.185 18.918 0.267 18728 12731 1 13 . 1 1 100 100 ALA H H 100 8.015 8.015 7.550 0.465 18728 12732 1 13 . 1 1 101 101 HIS HA H 101 4.502 4.502 4.503 -0.001 18728 12733 1 13 . 1 1 101 101 HIS C C 101 175.102 175.102 174.618 0.484 18728 12734 1 13 . 1 1 101 101 HIS CA C 101 56.309 56.309 54.005 2.304 18728 12735 1 13 . 1 1 101 101 HIS CB C 101 30.450 30.450 29.016 1.434 18728 12736 1 13 . 1 1 102 102 LEU N N 102 122.495 122.495 121.138 1.357 18728 12737 1 13 . 1 1 102 102 LEU HA H 102 4.263 4.263 4.385 -0.122 18728 12738 1 13 . 1 1 102 102 LEU C C 102 177.020 177.020 176.997 0.023 18728 12739 1 13 . 1 1 102 102 LEU CA C 102 54.934 54.934 54.000 0.934 18728 12740 1 13 . 1 1 102 102 LEU CB C 102 42.414 42.414 42.760 -0.346 18728 12741 1 13 . 1 1 102 102 LEU H H 102 7.774 7.774 7.284 0.490 18728 12742 1 13 . 1 1 103 103 THR N N 103 115.720 115.720 118.171 -2.451 18728 12743 1 13 . 1 1 103 103 THR HA H 103 4.220 4.220 4.099 0.121 18728 12744 1 13 . 1 1 103 103 THR C C 103 174.185 174.185 173.761 0.424 18728 12745 1 13 . 1 1 103 103 THR CA C 103 60.917 60.917 62.744 -1.827 18728 12746 1 13 . 1 1 103 103 THR CB C 103 69.340 69.340 68.364 0.976 18728 12747 1 13 . 1 1 103 103 THR H H 103 8.001 8.001 8.331 -0.330 18728 12748 1 13 . 1 1 104 104 VAL N N 104 122.004 122.004 126.734 -4.730 18728 12749 1 13 . 1 1 104 104 VAL HA H 104 4.330 4.330 4.329 0.001 18728 12750 1 13 . 1 1 104 104 VAL C C 104 175.294 175.294 175.453 -0.159 18728 12751 1 13 . 1 1 104 104 VAL CA C 104 61.877 61.877 61.141 0.736 18728 12752 1 13 . 1 1 104 104 VAL CB C 104 34.220 34.220 32.530 1.690 18728 12753 1 13 . 1 1 104 104 VAL H H 104 8.191 8.191 8.052 0.139 18728 12754 1 13 . 1 1 105 105 LYS N N 105 121.406 121.406 125.720 -4.314 18728 12755 1 13 . 1 1 105 105 LYS HA H 105 4.498 4.498 4.591 -0.093 18728 12756 1 13 . 1 1 105 105 LYS C C 105 173.482 173.482 175.456 -1.974 18728 12757 1 13 . 1 1 105 105 LYS CA C 105 56.433 56.433 55.885 0.548 18728 12758 1 13 . 1 1 105 105 LYS CB C 105 33.245 33.245 32.919 0.326 18728 12759 1 13 . 1 1 105 105 LYS H H 105 8.672 8.672 8.792 -0.120 18728 12760 1 13 . 1 1 106 106 LYS N N 106 121.756 121.756 119.454 2.302 18728 12761 1 13 . 1 1 106 106 LYS HA H 106 5.623 5.623 5.508 0.115 18728 12762 1 13 . 1 1 106 106 LYS C C 106 175.153 175.153 175.349 -0.196 18728 12763 1 13 . 1 1 106 106 LYS CA C 106 54.537 54.537 54.812 -0.275 18728 12764 1 13 . 1 1 106 106 LYS CB C 106 37.407 37.407 36.493 0.914 18728 12765 1 13 . 1 1 106 106 LYS H H 106 7.134 7.134 7.788 -0.654 18728 12766 1 13 . 1 1 107 107 ILE N N 107 115.982 115.982 118.379 -2.397 18728 12767 1 13 . 1 1 107 107 ILE HA H 107 5.110 5.110 5.308 -0.198 18728 12768 1 13 . 1 1 107 107 ILE C C 107 174.525 174.525 174.100 0.425 18728 12769 1 13 . 1 1 107 107 ILE CA C 107 59.009 59.009 59.035 -0.026 18728 12770 1 13 . 1 1 107 107 ILE CB C 107 40.552 40.552 41.703 -1.151 18728 12771 1 13 . 1 1 107 107 ILE H H 107 8.948 8.948 8.742 0.206 18728 12772 1 13 . 1 1 108 108 PHE N N 108 124.182 124.182 123.897 0.285 18728 12773 1 13 . 1 1 108 108 PHE HA H 108 4.696 4.696 4.657 0.039 18728 12774 1 13 . 1 1 108 108 PHE C C 108 173.422 173.422 173.410 0.012 18728 12775 1 13 . 1 1 108 108 PHE CA C 108 56.567 56.567 55.946 0.621 18728 12776 1 13 . 1 1 108 108 PHE CB C 108 41.596 41.596 41.816 -0.220 18728 12777 1 13 . 1 1 108 108 PHE H H 108 9.103 9.103 8.995 0.108 18728 12778 1 13 . 1 1 109 109 VAL N N 109 126.956 126.956 126.087 0.869 18728 12779 1 13 . 1 1 109 109 VAL HA H 109 4.497 4.497 4.832 -0.335 18728 12780 1 13 . 1 1 109 109 VAL C C 109 174.097 174.097 174.034 0.063 18728 12781 1 13 . 1 1 109 109 VAL CA C 109 60.493 60.493 60.114 0.380 18728 12782 1 13 . 1 1 109 109 VAL CB C 109 33.266 33.266 33.595 -0.329 18728 12783 1 13 . 1 1 109 109 VAL H H 109 8.338 8.338 8.237 0.101 18728 12784 1 13 . 1 1 110 110 GLY N N 110 113.617 113.617 113.136 0.481 18728 12785 1 13 . 1 1 110 110 GLY C C 110 174.325 174.325 173.271 1.054 18728 12786 1 13 . 1 1 110 110 GLY CA C 110 44.011 44.011 43.395 0.616 18728 12787 1 13 . 1 1 110 110 GLY H H 110 9.173 9.173 8.601 0.573 18728 12788 1 13 . 1 1 111 111 GLY N N 111 106.411 106.411 108.561 -2.150 18728 12789 1 13 . 1 1 111 111 GLY CA C 111 46.359 46.359 44.996 1.363 18728 12790 1 13 . 1 1 111 111 GLY H H 111 8.221 8.221 8.168 0.053 18728 12791 1 13 . 1 1 116 116 THR HA H 116 4.322 4.322 4.566 -0.244 18728 12792 1 13 . 1 1 116 116 THR C C 116 173.380 173.380 173.694 -0.314 18728 12793 1 13 . 1 1 116 116 THR CA C 116 63.000 63.000 63.022 -0.022 18728 12794 1 13 . 1 1 117 117 GLU N N 117 130.298 130.298 124.856 5.442 18728 12795 1 13 . 1 1 117 117 GLU HA H 117 4.632 4.632 4.509 0.123 18728 12796 1 13 . 1 1 117 117 GLU C C 117 177.632 177.632 176.739 0.893 18728 12797 1 13 . 1 1 117 117 GLU CA C 117 53.853 53.853 53.808 0.045 18728 12798 1 13 . 1 1 117 117 GLU CB C 117 32.977 32.977 31.464 1.513 18728 12799 1 13 . 1 1 117 117 GLU H H 117 11.190 11.190 8.202 2.988 18728 12800 1 13 . 1 1 118 118 GLU N N 118 122.126 122.126 122.825 -0.699 18728 12801 1 13 . 1 1 118 118 GLU HA H 118 3.627 3.627 4.010 -0.383 18728 12802 1 13 . 1 1 118 118 GLU C C 118 179.294 179.294 178.009 1.285 18728 12803 1 13 . 1 1 118 118 GLU CA C 118 61.689 61.689 60.769 0.920 18728 12804 1 13 . 1 1 118 118 GLU CB C 118 29.075 29.075 29.513 -0.438 18728 12805 1 13 . 1 1 118 118 GLU H H 118 9.339 9.339 8.931 0.408 18728 12806 1 13 . 1 1 119 119 HIS N N 119 113.514 113.514 114.877 -1.363 18728 12807 1 13 . 1 1 119 119 HIS HA H 119 4.265 4.265 4.273 -0.008 18728 12808 1 13 . 1 1 119 119 HIS C C 119 176.566 176.566 177.881 -1.315 18728 12809 1 13 . 1 1 119 119 HIS CA C 119 58.917 58.917 59.733 -0.816 18728 12810 1 13 . 1 1 119 119 HIS CB C 119 28.187 28.187 29.529 -1.342 18728 12811 1 13 . 1 1 119 119 HIS H H 119 8.240 8.240 8.847 -0.607 18728 12812 1 13 . 1 1 120 120 HIS N N 120 118.629 118.629 117.900 0.729 18728 12813 1 13 . 1 1 120 120 HIS HA H 120 4.332 4.332 4.477 -0.145 18728 12814 1 13 . 1 1 120 120 HIS C C 120 179.713 179.713 177.878 1.835 18728 12815 1 13 . 1 1 120 120 HIS CA C 120 60.310 60.310 58.428 1.882 18728 12816 1 13 . 1 1 120 120 HIS CB C 120 32.233 32.233 30.378 1.855 18728 12817 1 13 . 1 1 120 120 HIS H H 120 6.474 6.474 7.349 -0.875 18728 12818 1 13 . 1 1 121 121 LEU N N 121 117.249 117.249 116.035 1.214 18728 12819 1 13 . 1 1 121 121 LEU HA H 121 4.179 4.179 4.538 -0.359 18728 12820 1 13 . 1 1 121 121 LEU C C 121 178.020 178.020 178.535 -0.515 18728 12821 1 13 . 1 1 121 121 LEU CA C 121 57.924 57.924 57.673 0.251 18728 12822 1 13 . 1 1 121 121 LEU CB C 121 42.577 42.577 41.288 1.289 18728 12823 1 13 . 1 1 121 121 LEU H H 121 7.132 7.132 7.719 -0.587 18728 12824 1 13 . 1 1 122 122 ARG N N 122 121.766 121.766 121.314 0.452 18728 12825 1 13 . 1 1 122 122 ARG HA H 122 3.741 3.741 4.033 -0.292 18728 12826 1 13 . 1 1 122 122 ARG C C 122 177.023 177.023 178.003 -0.980 18728 12827 1 13 . 1 1 122 122 ARG CA C 122 60.508 60.508 59.921 0.587 18728 12828 1 13 . 1 1 122 122 ARG CB C 122 30.256 30.256 29.715 0.541 18728 12829 1 13 . 1 1 122 122 ARG H H 122 8.759 8.759 8.967 -0.208 18728 12830 1 13 . 1 1 123 123 ASP N N 123 116.299 116.299 117.548 -1.249 18728 12831 1 13 . 1 1 123 123 ASP HA H 123 4.294 4.294 4.445 -0.151 18728 12832 1 13 . 1 1 123 123 ASP C C 123 178.057 178.057 177.757 0.300 18728 12833 1 13 . 1 1 123 123 ASP CA C 123 57.076 57.076 57.302 -0.226 18728 12834 1 13 . 1 1 123 123 ASP CB C 123 40.572 40.572 40.835 -0.263 18728 12835 1 13 . 1 1 123 123 ASP H H 123 8.423 8.423 7.900 0.523 18728 12836 1 13 . 1 1 124 124 TYR N N 124 115.172 115.172 119.274 -4.102 18728 12837 1 13 . 1 1 124 124 TYR HA H 124 4.338 4.338 4.280 0.058 18728 12838 1 13 . 1 1 124 124 TYR C C 124 177.688 177.688 177.649 0.039 18728 12839 1 13 . 1 1 124 124 TYR CA C 124 61.660 61.660 60.979 0.681 18728 12840 1 13 . 1 1 124 124 TYR CB C 124 39.847 39.847 39.093 0.754 18728 12841 1 13 . 1 1 124 124 TYR H H 124 7.212 7.212 7.472 -0.260 18728 12842 1 13 . 1 1 125 125 PHE N N 125 113.932 113.932 118.165 -4.233 18728 12843 1 13 . 1 1 125 125 PHE HA H 125 4.515 4.515 4.277 0.238 18728 12844 1 13 . 1 1 125 125 PHE C C 125 178.209 178.209 178.319 -0.110 18728 12845 1 13 . 1 1 125 125 PHE CA C 125 63.404 63.404 61.280 2.124 18728 12846 1 13 . 1 1 125 125 PHE CB C 125 38.614 38.614 38.599 0.015 18728 12847 1 13 . 1 1 125 125 PHE H H 125 8.802 8.802 8.967 -0.165 18728 12848 1 13 . 1 1 126 126 GLU N N 126 120.515 120.515 118.888 1.627 18728 12849 1 13 . 1 1 126 126 GLU HA H 126 4.884 4.884 4.560 0.324 18728 12850 1 13 . 1 1 126 126 GLU C C 126 177.936 177.936 177.238 0.698 18728 12851 1 13 . 1 1 126 126 GLU CA C 126 58.560 58.560 58.311 0.249 18728 12852 1 13 . 1 1 126 126 GLU CB C 126 28.516 28.516 29.360 -0.844 18728 12853 1 13 . 1 1 126 126 GLU H H 126 8.869 8.869 8.202 0.667 18728 12854 1 13 . 1 1 127 127 GLN N N 127 115.855 115.855 115.668 0.187 18728 12855 1 13 . 1 1 127 127 GLN HA H 127 4.055 4.055 4.001 0.054 18728 12856 1 13 . 1 1 127 127 GLN C C 127 176.656 176.656 177.653 -0.997 18728 12857 1 13 . 1 1 127 127 GLN CA C 127 57.566 57.566 57.622 -0.056 18728 12858 1 13 . 1 1 127 127 GLN CB C 127 29.047 29.047 28.768 0.279 18728 12859 1 13 . 1 1 127 127 GLN H H 127 7.105 7.105 7.613 -0.508 18728 12860 1 13 . 1 1 128 128 TYR N N 128 116.626 116.626 116.910 -0.284 18728 12861 1 13 . 1 1 128 128 TYR HA H 128 4.328 4.328 4.342 -0.014 18728 12862 1 13 . 1 1 128 128 TYR C C 128 175.596 175.596 175.307 0.289 18728 12863 1 13 . 1 1 128 128 TYR CA C 128 59.492 59.492 59.710 -0.218 18728 12864 1 13 . 1 1 128 128 TYR CB C 128 39.539 39.539 39.644 -0.105 18728 12865 1 13 . 1 1 128 128 TYR H H 128 7.950 7.950 7.751 0.199 18728 12866 1 13 . 1 1 129 129 GLY N N 129 107.386 107.386 102.136 5.250 18728 12867 1 13 . 1 1 129 129 GLY C C 129 170.407 170.407 172.214 -1.807 18728 12868 1 13 . 1 1 129 129 GLY CA C 129 44.819 44.819 44.621 0.198 18728 12869 1 13 . 1 1 129 129 GLY H H 129 7.492 7.492 7.329 0.163 18728 12870 1 13 . 1 1 130 130 LYS N N 130 117.786 117.786 120.818 -3.032 18728 12871 1 13 . 1 1 130 130 LYS HA H 130 4.315 4.315 4.390 -0.075 18728 12872 1 13 . 1 1 130 130 LYS C C 130 177.097 177.097 175.620 1.477 18728 12873 1 13 . 1 1 130 130 LYS CA C 130 56.938 56.938 56.615 0.323 18728 12874 1 13 . 1 1 130 130 LYS CB C 130 33.199 33.199 33.286 -0.087 18728 12875 1 13 . 1 1 130 130 LYS H H 130 8.135 8.135 8.476 -0.341 18728 12876 1 13 . 1 1 131 131 ILE N N 131 127.829 127.829 126.340 1.489 18728 12877 1 13 . 1 1 131 131 ILE HA H 131 3.681 3.681 4.195 -0.514 18728 12878 1 13 . 1 1 131 131 ILE C C 131 175.841 175.841 176.056 -0.215 18728 12879 1 13 . 1 1 131 131 ILE CA C 131 61.625 61.625 60.594 1.031 18728 12880 1 13 . 1 1 131 131 ILE CB C 131 40.441 40.441 39.787 0.654 18728 12881 1 13 . 1 1 131 131 ILE H H 131 8.917 8.917 8.573 0.344 18728 12882 1 13 . 1 1 132 132 GLU N N 132 128.437 128.437 127.587 0.850 18728 12883 1 13 . 1 1 132 132 GLU HA H 132 4.320 4.320 4.305 0.015 18728 12884 1 13 . 1 1 132 132 GLU C C 132 176.192 176.192 175.900 0.292 18728 12885 1 13 . 1 1 132 132 GLU CA C 132 57.816 57.816 58.330 -0.514 18728 12886 1 13 . 1 1 132 132 GLU CB C 132 31.670 31.670 30.964 0.706 18728 12887 1 13 . 1 1 132 132 GLU H H 132 9.136 9.136 8.674 0.462 18728 12888 1 13 . 1 1 133 133 VAL N N 133 115.096 115.096 116.657 -1.561 18728 12889 1 13 . 1 1 133 133 VAL HA H 133 4.316 4.316 4.211 0.105 18728 12890 1 13 . 1 1 133 133 VAL C C 133 172.860 172.860 173.635 -0.775 18728 12891 1 13 . 1 1 133 133 VAL CA C 133 61.258 61.258 60.797 0.461 18728 12892 1 13 . 1 1 133 133 VAL CB C 133 35.526 35.526 35.331 0.195 18728 12893 1 13 . 1 1 133 133 VAL H H 133 7.272 7.272 7.386 -0.114 18728 12894 1 13 . 1 1 134 134 ILE N N 134 126.870 126.870 124.576 2.294 18728 12895 1 13 . 1 1 134 134 ILE HA H 134 4.464 4.464 4.299 0.165 18728 12896 1 13 . 1 1 134 134 ILE C C 134 174.004 174.004 175.041 -1.037 18728 12897 1 13 . 1 1 134 134 ILE CA C 134 60.904 60.904 60.189 0.715 18728 12898 1 13 . 1 1 134 134 ILE CB C 134 40.408 40.408 39.749 0.659 18728 12899 1 13 . 1 1 134 134 ILE H H 134 8.566 8.566 8.309 0.257 18728 12900 1 13 . 1 1 135 135 GLU N N 135 128.037 128.037 128.007 0.030 18728 12901 1 13 . 1 1 135 135 GLU HA H 135 4.642 4.642 4.601 0.041 18728 12902 1 13 . 1 1 135 135 GLU C C 135 174.883 174.883 174.781 0.102 18728 12903 1 13 . 1 1 135 135 GLU CA C 135 54.640 54.640 55.597 -0.957 18728 12904 1 13 . 1 1 135 135 GLU CB C 135 33.259 33.259 31.506 1.753 18728 12905 1 13 . 1 1 135 135 GLU H H 135 9.019 9.019 8.895 0.124 18728 12906 1 13 . 1 1 136 136 ILE N N 136 126.668 126.668 124.866 1.802 18728 12907 1 13 . 1 1 136 136 ILE HA H 136 3.898 3.898 4.325 -0.427 18728 12908 1 13 . 1 1 136 136 ILE C C 136 176.157 176.157 174.677 1.480 18728 12909 1 13 . 1 1 136 136 ILE CA C 136 61.336 61.336 59.502 1.834 18728 12910 1 13 . 1 1 136 136 ILE CB C 136 37.397 37.397 38.244 -0.847 18728 12911 1 13 . 1 1 136 136 ILE H H 136 8.967 8.967 8.687 0.280 18728 12912 1 13 . 1 1 137 137 MET N N 137 126.115 126.115 128.127 -2.012 18728 12913 1 13 . 1 1 137 137 MET HA H 137 4.679 4.679 4.597 0.082 18728 12914 1 13 . 1 1 137 137 MET C C 137 176.723 176.723 175.409 1.314 18728 12915 1 13 . 1 1 137 137 MET CA C 137 55.163 55.163 53.062 2.101 18728 12916 1 13 . 1 1 137 137 MET CB C 137 30.841 30.841 31.714 -0.873 18728 12917 1 13 . 1 1 137 137 MET H H 137 7.656 7.656 8.148 -0.492 18728 12918 1 13 . 1 1 138 138 THR N N 138 116.735 116.735 115.348 1.387 18728 12919 1 13 . 1 1 138 138 THR HA H 138 4.746 4.746 4.681 0.065 18728 12920 1 13 . 1 1 138 138 THR C C 138 173.642 173.642 174.356 -0.714 18728 12921 1 13 . 1 1 138 138 THR CA C 138 60.385 60.385 60.300 0.085 18728 12922 1 13 . 1 1 138 138 THR CB C 138 72.028 72.028 70.012 2.016 18728 12923 1 13 . 1 1 138 138 THR H H 138 8.551 8.551 8.323 0.228 18728 12924 1 13 . 1 1 139 139 ASP N N 139 123.899 123.899 124.629 -0.730 18728 12925 1 13 . 1 1 139 139 ASP HA H 139 4.677 4.677 4.465 0.212 18728 12926 1 13 . 1 1 139 139 ASP CA C 139 53.728 53.728 55.009 -1.281 18728 12927 1 13 . 1 1 139 139 ASP CB C 139 42.270 42.270 42.234 0.036 18728 12928 1 13 . 1 1 139 139 ASP H H 139 8.818 8.818 8.563 0.255 18728 12929 1 13 . 1 1 140 140 ARG HA H 140 4.037 4.037 4.163 -0.126 18728 12930 1 13 . 1 1 140 140 ARG C C 140 177.886 177.886 177.606 0.280 18728 12931 1 13 . 1 1 140 140 ARG CB C 140 29.886 29.886 30.351 -0.465 18728 12932 1 13 . 1 1 141 141 GLY N N 141 107.951 107.951 106.448 1.503 18728 12933 1 13 . 1 1 141 141 GLY C C 141 174.861 174.861 175.539 -0.678 18728 12934 1 13 . 1 1 141 141 GLY CA C 141 46.490 46.490 45.763 0.727 18728 12935 1 13 . 1 1 141 141 GLY H H 141 8.635 8.635 8.267 0.368 18728 12936 1 13 . 1 1 142 142 SER N N 142 114.044 114.044 116.246 -2.202 18728 12937 1 13 . 1 1 142 142 SER HA H 142 4.533 4.533 4.537 -0.004 18728 12938 1 13 . 1 1 142 142 SER C C 142 176.080 176.080 174.836 1.244 18728 12939 1 13 . 1 1 142 142 SER CA C 142 58.429 58.429 58.867 -0.438 18728 12940 1 13 . 1 1 142 142 SER CB C 142 65.439 65.439 64.303 1.136 18728 12941 1 13 . 1 1 142 142 SER H H 142 8.034 8.034 8.644 -0.610 18728 12942 1 13 . 1 1 143 143 GLY N N 143 112.348 112.348 108.203 4.145 18728 12943 1 13 . 1 1 143 143 GLY C C 143 173.949 173.949 173.907 0.042 18728 12944 1 13 . 1 1 143 143 GLY CA C 143 45.703 45.703 45.598 0.105 18728 12945 1 13 . 1 1 143 143 GLY H H 143 8.363 8.363 7.850 0.513 18728 12946 1 13 . 1 1 144 144 LYS N N 144 119.966 119.966 118.053 1.913 18728 12947 1 13 . 1 1 144 144 LYS HA H 144 4.273 4.273 4.564 -0.291 18728 12948 1 13 . 1 1 144 144 LYS C C 144 176.969 176.969 175.659 1.310 18728 12949 1 13 . 1 1 144 144 LYS CA C 144 56.145 56.145 53.736 2.409 18728 12950 1 13 . 1 1 144 144 LYS CB C 144 33.378 33.378 34.430 -1.052 18728 12951 1 13 . 1 1 144 144 LYS H H 144 7.786 7.786 7.538 0.248 18728 12952 1 13 . 1 1 145 145 LYS N N 145 123.668 123.668 121.578 2.090 18728 12953 1 13 . 1 1 145 145 LYS HA H 145 4.187 4.187 4.495 -0.308 18728 12954 1 13 . 1 1 145 145 LYS C C 145 177.498 177.498 175.094 2.404 18728 12955 1 13 . 1 1 145 145 LYS CA C 145 57.392 57.392 55.743 1.649 18728 12956 1 13 . 1 1 145 145 LYS CB C 145 32.577 32.577 31.254 1.323 18728 12957 1 13 . 1 1 145 145 LYS H H 145 8.968 8.968 9.301 -0.333 18728 12958 1 13 . 1 1 146 146 ARG N N 146 119.700 119.700 119.444 0.256 18728 12959 1 13 . 1 1 146 146 ARG HA H 146 4.294 4.294 4.612 -0.318 18728 12960 1 13 . 1 1 146 146 ARG CA C 146 56.365 56.365 54.762 1.603 18728 12961 1 13 . 1 1 146 146 ARG CB C 146 30.786 30.786 33.271 -2.485 18728 12962 1 13 . 1 1 146 146 ARG H H 146 8.095 8.095 7.726 0.369 18728 12963 1 13 . 1 1 147 147 GLY N N 147 110.572 110.572 108.214 2.358 18728 12964 1 13 . 1 1 147 147 GLY C C 147 173.384 173.384 173.166 0.218 18728 12965 1 13 . 1 1 147 147 GLY CA C 147 45.440 45.440 46.522 -1.082 18728 12966 1 13 . 1 1 147 147 GLY H H 147 8.401 8.401 9.042 -0.641 18728 12967 1 13 . 1 1 148 148 PHE N N 148 114.199 114.199 116.409 -2.210 18728 12968 1 13 . 1 1 148 148 PHE HA H 148 5.194 5.194 5.219 -0.025 18728 12969 1 13 . 1 1 148 148 PHE C C 148 172.409 172.409 172.670 -0.261 18728 12970 1 13 . 1 1 148 148 PHE CA C 148 55.282 55.282 55.835 -0.553 18728 12971 1 13 . 1 1 148 148 PHE CB C 148 41.869 41.869 40.318 1.551 18728 12972 1 13 . 1 1 148 148 PHE H H 148 7.255 7.255 7.454 -0.199 18728 12973 1 13 . 1 1 149 149 ALA N N 149 121.427 121.427 120.484 0.943 18728 12974 1 13 . 1 1 149 149 ALA HA H 149 4.966 4.966 4.610 0.356 18728 12975 1 13 . 1 1 149 149 ALA C C 149 174.084 174.084 174.105 -0.021 18728 12976 1 13 . 1 1 149 149 ALA CA C 149 49.755 49.755 51.180 -1.425 18728 12977 1 13 . 1 1 149 149 ALA CB C 149 25.094 25.094 22.302 2.792 18728 12978 1 13 . 1 1 149 149 ALA H H 149 8.786 8.786 8.746 0.040 18728 12979 1 13 . 1 1 150 150 PHE N N 150 114.425 114.425 116.092 -1.667 18728 12980 1 13 . 1 1 150 150 PHE HA H 150 5.874 5.874 5.329 0.545 18728 12981 1 13 . 1 1 150 150 PHE C C 150 176.196 176.196 174.193 2.003 18728 12982 1 13 . 1 1 150 150 PHE CA C 150 56.070 56.070 57.080 -1.010 18728 12983 1 13 . 1 1 150 150 PHE CB C 150 43.251 43.251 44.258 -1.007 18728 12984 1 13 . 1 1 150 150 PHE H H 150 8.689 8.689 8.813 -0.124 18728 12985 1 13 . 1 1 151 151 VAL N N 151 122.489 122.489 121.643 0.846 18728 12986 1 13 . 1 1 151 151 VAL HA H 151 4.375 4.375 4.306 0.069 18728 12987 1 13 . 1 1 151 151 VAL C C 151 173.932 173.932 174.706 -0.774 18728 12988 1 13 . 1 1 151 151 VAL CA C 151 61.454 61.454 60.942 0.512 18728 12989 1 13 . 1 1 151 151 VAL CB C 151 33.869 33.869 34.097 -0.228 18728 12990 1 13 . 1 1 151 151 VAL H H 151 8.559 8.559 8.760 -0.201 18728 12991 1 13 . 1 1 152 152 THR N N 152 123.112 123.112 123.529 -0.417 18728 12992 1 13 . 1 1 152 152 THR HA H 152 4.995 4.995 4.884 0.111 18728 12993 1 13 . 1 1 152 152 THR C C 152 174.047 174.047 173.653 0.394 18728 12994 1 13 . 1 1 152 152 THR CA C 152 61.931 61.931 61.846 0.085 18728 12995 1 13 . 1 1 152 152 THR CB C 152 69.689 69.689 69.542 0.147 18728 12996 1 13 . 1 1 152 152 THR H H 152 8.723 8.723 8.230 0.493 18728 12997 1 13 . 1 1 153 153 PHE N N 153 127.746 127.746 127.192 0.554 18728 12998 1 13 . 1 1 153 153 PHE HA H 153 4.840 4.840 4.690 0.150 18728 12999 1 13 . 1 1 153 153 PHE C C 153 174.720 174.720 175.950 -1.230 18728 13000 1 13 . 1 1 153 153 PHE CA C 153 58.098 58.098 57.345 0.753 18728 13001 1 13 . 1 1 153 153 PHE CB C 153 41.706 41.706 41.741 -0.035 18728 13002 1 13 . 1 1 153 153 PHE H H 153 9.368 9.368 9.343 0.025 18728 13003 1 13 . 1 1 154 154 ASP N N 154 118.371 118.371 120.608 -2.237 18728 13004 1 13 . 1 1 154 154 ASP HA H 154 4.486 4.486 4.610 -0.124 18728 13005 1 13 . 1 1 154 154 ASP C C 154 175.668 175.668 175.129 0.539 18728 13006 1 13 . 1 1 154 154 ASP CA C 154 56.114 56.114 56.169 -0.055 18728 13007 1 13 . 1 1 154 154 ASP CB C 154 42.576 42.576 42.421 0.155 18728 13008 1 13 . 1 1 154 154 ASP H H 154 8.196 8.196 9.023 -0.827 18728 13009 1 13 . 1 1 155 155 ASP N N 155 117.144 117.144 117.850 -0.706 18728 13010 1 13 . 1 1 155 155 ASP HA H 155 4.909 4.909 4.852 0.057 18728 13011 1 13 . 1 1 155 155 ASP C C 155 176.392 176.392 175.594 0.798 18728 13012 1 13 . 1 1 155 155 ASP CA C 155 52.615 52.615 52.462 0.153 18728 13013 1 13 . 1 1 155 155 ASP CB C 155 44.471 44.471 44.117 0.354 18728 13014 1 13 . 1 1 155 155 ASP H H 155 8.323 8.323 7.493 0.830 18728 13015 1 13 . 1 1 156 156 HIS N N 156 121.508 121.508 119.661 1.847 18728 13016 1 13 . 1 1 156 156 HIS HA H 156 4.336 4.336 4.633 -0.297 18728 13017 1 13 . 1 1 156 156 HIS C C 156 176.855 176.855 176.122 0.733 18728 13018 1 13 . 1 1 156 156 HIS CA C 156 58.593 58.593 57.216 1.377 18728 13019 1 13 . 1 1 156 156 HIS CB C 156 29.703 29.703 29.834 -0.131 18728 13020 1 13 . 1 1 156 156 HIS H H 156 8.492 8.492 8.178 0.314 18728 13021 1 13 . 1 1 157 157 ASP N N 157 122.539 122.539 120.250 2.289 18728 13022 1 13 . 1 1 157 157 ASP HA H 157 4.254 4.254 4.332 -0.078 18728 13023 1 13 . 1 1 157 157 ASP C C 157 178.233 178.233 178.316 -0.083 18728 13024 1 13 . 1 1 157 157 ASP CA C 157 57.047 57.047 57.804 -0.757 18728 13025 1 13 . 1 1 157 157 ASP CB C 157 40.875 40.875 40.335 0.540 18728 13026 1 13 . 1 1 157 157 ASP H H 157 8.345 8.345 8.026 0.319 18728 13027 1 13 . 1 1 158 158 SER N N 158 113.623 113.623 112.890 0.733 18728 13028 1 13 . 1 1 158 158 SER HA H 158 3.899 3.899 4.043 -0.144 18728 13029 1 13 . 1 1 158 158 SER C C 158 174.750 174.750 175.989 -1.239 18728 13030 1 13 . 1 1 158 158 SER CA C 158 61.914 61.914 61.096 0.818 18728 13031 1 13 . 1 1 158 158 SER CB C 158 63.088 63.088 62.450 0.638 18728 13032 1 13 . 1 1 158 158 SER H H 158 7.424 7.424 7.961 -0.537 18728 13033 1 13 . 1 1 159 159 VAL N N 159 118.448 118.448 121.490 -3.042 18728 13034 1 13 . 1 1 159 159 VAL HA H 159 2.913 2.913 3.489 -0.576 18728 13035 1 13 . 1 1 159 159 VAL C C 159 177.269 177.269 177.520 -0.251 18728 13036 1 13 . 1 1 159 159 VAL CA C 159 66.512 66.512 65.882 0.630 18728 13037 1 13 . 1 1 159 159 VAL CB C 159 31.395 31.395 31.519 -0.124 18728 13038 1 13 . 1 1 159 159 VAL H H 159 6.484 6.484 7.211 -0.727 18728 13039 1 13 . 1 1 160 160 ASP N N 160 119.064 119.064 119.996 -0.932 18728 13040 1 13 . 1 1 160 160 ASP HA H 160 4.275 4.275 4.366 -0.091 18728 13041 1 13 . 1 1 160 160 ASP C C 160 178.284 178.284 178.451 -0.167 18728 13042 1 13 . 1 1 160 160 ASP CA C 160 57.798 57.798 57.586 0.213 18728 13043 1 13 . 1 1 160 160 ASP CB C 160 40.288 40.288 40.870 -0.582 18728 13044 1 13 . 1 1 160 160 ASP H H 160 7.663 7.663 7.989 -0.326 18728 13045 1 13 . 1 1 161 161 LYS N N 161 116.568 116.568 118.835 -2.267 18728 13046 1 13 . 1 1 161 161 LYS HA H 161 4.030 4.030 4.036 -0.006 18728 13047 1 13 . 1 1 161 161 LYS C C 161 178.205 178.205 178.529 -0.324 18728 13048 1 13 . 1 1 161 161 LYS CA C 161 58.796 58.796 59.549 -0.753 18728 13049 1 13 . 1 1 161 161 LYS CB C 161 33.298 33.298 32.624 0.674 18728 13050 1 13 . 1 1 161 161 LYS H H 161 7.465 7.465 7.713 -0.248 18728 13051 1 13 . 1 1 162 162 ILE N N 162 119.457 119.457 117.039 2.418 18728 13052 1 13 . 1 1 162 162 ILE HA H 162 3.241 3.241 3.768 -0.527 18728 13053 1 13 . 1 1 162 162 ILE C C 162 179.129 179.129 178.007 1.122 18728 13054 1 13 . 1 1 162 162 ILE CA C 162 65.201 65.201 64.518 0.683 18728 13055 1 13 . 1 1 162 162 ILE CB C 162 39.170 39.170 38.053 1.117 18728 13056 1 13 . 1 1 162 162 ILE H H 162 7.367 7.367 7.081 0.286 18728 13057 1 13 . 1 1 163 163 VAL N N 163 109.705 109.705 116.750 -7.045 18728 13058 1 13 . 1 1 163 163 VAL HA H 163 4.093 4.093 4.025 0.068 18728 13059 1 13 . 1 1 163 163 VAL C C 163 176.685 176.685 176.704 -0.019 18728 13060 1 13 . 1 1 163 163 VAL CA C 163 64.137 64.137 64.777 -0.640 18728 13061 1 13 . 1 1 163 163 VAL CB C 163 30.720 30.720 31.152 -0.432 18728 13062 1 13 . 1 1 163 163 VAL H H 163 7.814 7.814 7.787 0.027 18728 13063 1 13 . 1 1 164 164 ILE N N 164 118.885 118.885 118.639 0.246 18728 13064 1 13 . 1 1 164 164 ILE HA H 164 3.968 3.968 3.846 0.122 18728 13065 1 13 . 1 1 164 164 ILE C C 164 176.006 176.006 176.097 -0.091 18728 13066 1 13 . 1 1 164 164 ILE CA C 164 63.328 63.328 63.676 -0.348 18728 13067 1 13 . 1 1 164 164 ILE CB C 164 38.136 38.136 38.156 -0.020 18728 13068 1 13 . 1 1 164 164 ILE H H 164 6.979 6.979 7.257 -0.278 18728 13069 1 13 . 1 1 165 165 GLN N N 165 120.509 120.509 117.407 3.102 18728 13070 1 13 . 1 1 165 165 GLN HA H 165 4.472 4.472 4.480 -0.008 18728 13071 1 13 . 1 1 165 165 GLN C C 165 174.808 174.808 175.117 -0.309 18728 13072 1 13 . 1 1 165 165 GLN CA C 165 54.743 54.743 54.342 0.401 18728 13073 1 13 . 1 1 165 165 GLN CB C 165 30.183 30.183 29.085 1.098 18728 13074 1 13 . 1 1 165 165 GLN H H 165 7.490 7.490 7.717 -0.227 18728 13075 1 13 . 1 1 166 166 LYS N N 166 122.953 122.953 124.209 -1.256 18728 13076 1 13 . 1 1 166 166 LYS HA H 166 3.992 3.992 3.934 0.058 18728 13077 1 13 . 1 1 166 166 LYS C C 166 175.496 175.496 175.504 -0.008 18728 13078 1 13 . 1 1 166 166 LYS CA C 166 59.718 59.718 59.169 0.548 18728 13079 1 13 . 1 1 166 166 LYS CB C 166 33.115 33.115 33.050 0.065 18728 13080 1 13 . 1 1 166 166 LYS H H 166 8.085 8.085 8.788 -0.703 18728 13081 1 13 . 1 1 167 167 TYR N N 167 114.210 114.210 114.034 0.176 18728 13082 1 13 . 1 1 167 167 TYR HA H 167 5.457 5.457 5.343 0.114 18728 13083 1 13 . 1 1 167 167 TYR C C 167 175.593 175.593 175.660 -0.067 18728 13084 1 13 . 1 1 167 167 TYR CA C 167 56.417 56.417 57.121 -0.704 18728 13085 1 13 . 1 1 167 167 TYR CB C 167 40.057 40.057 41.654 -1.597 18728 13086 1 13 . 1 1 167 167 TYR H H 167 7.740 7.740 7.600 0.140 18728 13087 1 13 . 1 1 168 168 HIS N N 168 122.617 122.617 120.487 2.130 18728 13088 1 13 . 1 1 168 168 HIS HA H 168 4.526 4.526 5.006 -0.480 18728 13089 1 13 . 1 1 168 168 HIS C C 168 174.213 174.213 174.090 0.123 18728 13090 1 13 . 1 1 168 168 HIS CA C 168 55.233 55.233 55.069 0.164 18728 13091 1 13 . 1 1 168 168 HIS CB C 168 34.906 34.906 34.366 0.540 18728 13092 1 13 . 1 1 168 168 HIS H H 168 9.035 9.035 9.455 -0.420 18728 13093 1 13 . 1 1 169 169 THR N N 169 121.981 121.981 118.018 3.963 18728 13094 1 13 . 1 1 169 169 THR HA H 169 4.722 4.722 4.912 -0.190 18728 13095 1 13 . 1 1 169 169 THR C C 169 172.973 172.973 172.753 0.220 18728 13096 1 13 . 1 1 169 169 THR CA C 169 61.620 61.620 61.621 -0.001 18728 13097 1 13 . 1 1 169 169 THR CB C 169 68.692 68.692 69.644 -0.952 18728 13098 1 13 . 1 1 169 169 THR H H 169 8.784 8.784 8.771 0.013 18728 13099 1 13 . 1 1 170 170 VAL N N 170 125.540 125.540 123.771 1.769 18728 13100 1 13 . 1 1 170 170 VAL HA H 170 3.751 3.751 3.972 -0.221 18728 13101 1 13 . 1 1 170 170 VAL C C 170 175.997 175.997 173.518 2.479 18728 13102 1 13 . 1 1 170 170 VAL CA C 170 60.770 60.770 59.970 0.800 18728 13103 1 13 . 1 1 170 170 VAL CB C 170 34.216 34.216 34.551 -0.335 18728 13104 1 13 . 1 1 170 170 VAL H H 170 8.268 8.268 8.618 -0.350 18728 13105 1 13 . 1 1 171 171 ASN N N 171 126.811 126.811 124.903 1.908 18728 13106 1 13 . 1 1 171 171 ASN HA H 171 4.065 4.065 4.264 -0.199 18728 13107 1 13 . 1 1 171 171 ASN C C 171 174.266 174.266 175.018 -0.752 18728 13108 1 13 . 1 1 171 171 ASN CA C 171 53.184 53.184 53.982 -0.798 18728 13109 1 13 . 1 1 171 171 ASN CB C 171 37.436 37.436 37.540 -0.104 18728 13110 1 13 . 1 1 171 171 ASN H H 171 9.437 9.437 8.923 0.514 18728 13111 1 13 . 1 1 172 172 GLY N N 172 100.629 100.629 102.233 -1.604 18728 13112 1 13 . 1 1 172 172 GLY C C 172 173.335 173.335 173.547 -0.212 18728 13113 1 13 . 1 1 172 172 GLY CA C 172 45.154 45.154 45.163 -0.009 18728 13114 1 13 . 1 1 172 172 GLY H H 172 8.194 8.194 8.088 0.106 18728 13115 1 13 . 1 1 173 173 HIS N N 173 119.555 119.555 118.262 1.293 18728 13116 1 13 . 1 1 173 173 HIS HA H 173 4.860 4.860 4.751 0.109 18728 13117 1 13 . 1 1 173 173 HIS CA C 173 53.723 53.723 53.832 -0.109 18728 13118 1 13 . 1 1 173 173 HIS CB C 173 31.589 31.589 31.295 0.294 18728 13119 1 13 . 1 1 173 173 HIS H H 173 7.657 7.657 7.696 -0.039 18728 13120 1 13 . 1 1 174 174 ASN N N 174 122.936 122.936 122.351 0.585 18728 13121 1 13 . 1 1 174 174 ASN HA H 174 4.794 4.794 5.286 -0.492 18728 13122 1 13 . 1 1 174 174 ASN C C 174 174.918 174.918 174.917 0.001 18728 13123 1 13 . 1 1 174 174 ASN CA C 174 53.748 53.748 52.759 0.989 18728 13124 1 13 . 1 1 174 174 ASN CB C 174 38.185 38.185 39.453 -1.268 18728 13125 1 13 . 1 1 174 174 ASN H H 174 8.828 8.828 8.691 0.137 18728 13126 1 13 . 1 1 175 175 CYS N N 175 126.425 126.425 124.459 1.966 18728 13127 1 13 . 1 1 175 175 CYS HA H 175 4.872 4.872 4.834 0.038 18728 13128 1 13 . 1 1 175 175 CYS C C 175 173.853 173.853 173.309 0.544 18728 13129 1 13 . 1 1 175 175 CYS CA C 175 59.380 59.380 56.761 2.619 18728 13130 1 13 . 1 1 175 175 CYS CB C 175 29.966 29.966 31.808 -1.841 18728 13131 1 13 . 1 1 175 175 CYS H H 175 9.078 9.078 9.173 -0.095 18728 13132 1 13 . 1 1 176 176 GLU N N 176 124.488 124.488 121.404 3.084 18728 13133 1 13 . 1 1 176 176 GLU HA H 176 4.661 4.661 4.680 -0.019 18728 13134 1 13 . 1 1 176 176 GLU C C 176 175.343 175.343 175.432 -0.089 18728 13135 1 13 . 1 1 176 176 GLU CA C 176 55.296 55.296 55.563 -0.267 18728 13136 1 13 . 1 1 176 176 GLU CB C 176 31.550 31.550 31.407 0.143 18728 13137 1 13 . 1 1 176 176 GLU H H 176 8.161 8.161 8.971 -0.810 18728 13138 1 13 . 1 1 177 177 VAL N N 177 122.521 122.521 120.103 2.418 18728 13139 1 13 . 1 1 177 177 VAL HA H 177 5.628 5.628 5.651 -0.023 18728 13140 1 13 . 1 1 177 177 VAL C C 177 175.720 175.720 174.267 1.453 18728 13141 1 13 . 1 1 177 177 VAL CA C 177 59.713 59.713 59.018 0.695 18728 13142 1 13 . 1 1 177 177 VAL CB C 177 34.523 34.523 36.433 -1.910 18728 13143 1 13 . 1 1 177 177 VAL H H 177 8.684 8.684 8.936 -0.252 18728 13144 1 13 . 1 1 178 178 ARG N N 178 119.915 119.915 117.096 2.819 18728 13145 1 13 . 1 1 178 178 ARG HA H 178 4.746 4.746 4.611 0.135 18728 13146 1 13 . 1 1 178 178 ARG C C 178 175.689 175.689 174.770 0.919 18728 13147 1 13 . 1 1 178 178 ARG CA C 178 54.212 54.212 55.272 -1.060 18728 13148 1 13 . 1 1 178 178 ARG CB C 178 34.184 34.184 32.530 1.654 18728 13149 1 13 . 1 1 178 178 ARG H H 178 8.701 8.701 8.205 0.496 18728 13150 1 13 . 1 1 179 179 LYS N N 179 121.001 121.001 120.975 0.026 18728 13151 1 13 . 1 1 179 179 LYS HA H 179 4.098 4.098 4.281 -0.183 18728 13152 1 13 . 1 1 179 179 LYS C C 179 176.026 176.026 176.202 -0.176 18728 13153 1 13 . 1 1 179 179 LYS CA C 179 59.027 59.027 56.574 2.453 18728 13154 1 13 . 1 1 179 179 LYS CB C 179 33.377 33.377 31.907 1.470 18728 13155 1 13 . 1 1 179 179 LYS H H 179 8.990 8.990 8.320 0.670 18728 13156 1 13 . 1 1 180 180 ALA N N 180 126.810 126.810 129.042 -2.232 18728 13157 1 13 . 1 1 180 180 ALA HA H 180 4.565 4.565 4.751 -0.186 18728 13158 1 13 . 1 1 180 180 ALA C C 180 175.318 175.318 175.495 -0.177 18728 13159 1 13 . 1 1 180 180 ALA CA C 180 51.432 51.432 51.000 0.432 18728 13160 1 13 . 1 1 180 180 ALA CB C 180 19.201 19.201 20.755 -1.554 18728 13161 1 13 . 1 1 180 180 ALA H H 180 8.378 8.378 8.656 -0.278 18728 13162 1 13 . 1 1 181 181 LEU N N 181 122.300 122.300 122.068 0.232 18728 13163 1 13 . 1 1 181 181 LEU HA H 181 4.401 4.401 4.563 -0.162 18728 13164 1 13 . 1 1 181 181 LEU CA C 181 54.737 54.737 53.575 1.162 18728 13165 1 13 . 1 1 181 181 LEU CB C 181 43.199 43.199 43.128 0.071 18728 13166 1 13 . 1 1 181 181 LEU H H 181 8.001 8.001 8.371 -0.370 18728 13167 1 13 . 1 1 182 182 SER HA H 182 4.406 4.406 4.362 0.044 18728 13168 1 13 . 1 1 182 182 SER CA C 182 58.100 58.100 57.889 0.211 18728 13169 1 13 . 1 1 182 182 SER CB C 182 64.440 64.440 64.602 -0.162 18728 13170 1 13 . 1 1 183 183 LYS HA H 183 4.101 4.101 4.001 0.100 18728 13171 1 13 . 1 1 183 183 LYS C C 183 177.343 177.343 178.383 -1.040 18728 13172 1 13 . 1 1 183 183 LYS CA C 183 57.744 57.744 58.682 -0.938 18728 13173 1 13 . 1 1 183 183 LYS CB C 183 32.586 32.586 32.294 0.291 18728 13174 1 13 . 1 1 184 184 GLN N N 184 120.056 120.056 117.793 2.263 18728 13175 1 13 . 1 1 184 184 GLN HA H 184 4.167 4.167 4.024 0.143 18728 13176 1 13 . 1 1 184 184 GLN C C 184 176.718 176.718 177.940 -1.222 18728 13177 1 13 . 1 1 184 184 GLN CA C 184 56.981 56.981 59.218 -2.237 18728 13178 1 13 . 1 1 184 184 GLN CB C 184 28.990 28.990 28.490 0.500 18728 13179 1 13 . 1 1 184 184 GLN H H 184 8.320 8.320 7.696 0.624 18728 13180 1 13 . 1 1 185 185 GLU N N 185 121.610 121.610 119.761 1.849 18728 13181 1 13 . 1 1 185 185 GLU HA H 185 4.132 4.132 4.076 0.056 18728 13182 1 13 . 1 1 185 185 GLU C C 185 177.117 177.117 178.944 -1.827 18728 13183 1 13 . 1 1 185 185 GLU CA C 185 57.234 57.234 59.069 -1.835 18728 13184 1 13 . 1 1 185 185 GLU CB C 185 30.235 30.235 29.058 1.177 18728 13185 1 13 . 1 1 185 185 GLU H H 185 8.143 8.143 7.555 0.588 18728 13186 1 13 . 1 1 186 186 MET N N 186 120.092 120.092 117.536 2.556 18728 13187 1 13 . 1 1 186 186 MET HA H 186 4.289 4.289 4.148 0.141 18728 13188 1 13 . 1 1 186 186 MET C C 186 176.438 176.438 178.397 -1.959 18728 13189 1 13 . 1 1 186 186 MET CA C 186 56.069 56.069 58.792 -2.723 18728 13190 1 13 . 1 1 186 186 MET CB C 186 32.847 32.847 32.536 0.311 18728 13191 1 13 . 1 1 186 186 MET H H 186 8.195 8.195 8.530 -0.335 18728 13192 1 13 . 1 1 187 187 ALA N N 187 124.104 124.104 119.223 4.881 18728 13193 1 13 . 1 1 187 187 ALA HA H 187 4.297 4.297 4.179 0.118 18728 13194 1 13 . 1 1 187 187 ALA C C 187 178.107 178.107 178.722 -0.615 18728 13195 1 13 . 1 1 187 187 ALA CA C 187 52.912 52.912 54.311 -1.399 18728 13196 1 13 . 1 1 187 187 ALA CB C 187 19.060 19.060 19.576 -0.516 18728 13197 1 13 . 1 1 187 187 ALA H H 187 8.060 8.060 8.057 0.003 18728 13198 1 13 . 1 1 188 188 SER N N 188 114.374 114.374 110.996 3.378 18728 13199 1 13 . 1 1 188 188 SER HA H 188 4.357 4.357 3.959 0.398 18728 13200 1 13 . 1 1 188 188 SER C C 188 174.757 174.757 175.069 -0.312 18728 13201 1 13 . 1 1 188 188 SER CA C 188 58.598 58.598 61.356 -2.759 18728 13202 1 13 . 1 1 188 188 SER CB C 188 63.734 63.734 61.425 2.309 18728 13203 1 13 . 1 1 188 188 SER H H 188 8.173 8.173 8.477 -0.304 18728 13204 1 13 . 1 1 189 189 ALA N N 189 125.637 125.637 124.445 1.192 18728 13205 1 13 . 1 1 189 189 ALA HA H 189 4.246 4.246 4.076 0.170 18728 13206 1 13 . 1 1 189 189 ALA CA C 189 53.015 53.015 53.901 -0.886 18728 13207 1 13 . 1 1 189 189 ALA CB C 189 19.069 19.069 19.158 -0.089 18728 13208 1 13 . 1 1 189 189 ALA H H 189 8.207 8.207 7.973 0.234 18728 13209 1 14 . 1 1 5 5 GLU N N 5 122.509 122.509 124.647 -2.138 18728 13210 1 14 . 1 1 5 5 GLU HA H 5 4.345 4.345 4.538 -0.193 18728 13211 1 14 . 1 1 5 5 GLU C C 5 176.240 176.240 175.528 0.712 18728 13212 1 14 . 1 1 5 5 GLU CA C 5 56.190 56.190 56.032 0.158 18728 13213 1 14 . 1 1 5 5 GLU CB C 5 30.611 30.611 31.516 -0.905 18728 13214 1 14 . 1 1 5 5 GLU H H 5 8.321 8.321 8.641 -0.320 18728 13215 1 14 . 1 1 6 6 SER N N 6 118.728 118.728 120.531 -1.803 18728 13216 1 14 . 1 1 6 6 SER HA H 6 4.342 4.342 4.913 -0.571 18728 13217 1 14 . 1 1 6 6 SER CA C 6 56.305 56.305 56.473 -0.168 18728 13218 1 14 . 1 1 6 6 SER CB C 6 63.241 63.241 63.469 -0.228 18728 13219 1 14 . 1 1 6 6 SER H H 6 8.349 8.349 8.511 -0.162 18728 13220 1 14 . 1 1 7 7 PRO HA H 7 4.427 4.427 4.548 -0.121 18728 13221 1 14 . 1 1 7 7 PRO C C 7 177.027 177.027 176.589 0.438 18728 13222 1 14 . 1 1 7 7 PRO CA C 7 63.271 63.271 62.271 1.000 18728 13223 1 14 . 1 1 7 7 PRO CB C 7 32.111 32.111 32.988 -0.877 18728 13224 1 14 . 1 1 8 8 LYS N N 8 121.819 121.819 117.623 4.196 18728 13225 1 14 . 1 1 8 8 LYS HA H 8 4.290 4.290 4.323 -0.033 18728 13226 1 14 . 1 1 8 8 LYS C C 8 177.015 177.015 176.112 0.903 18728 13227 1 14 . 1 1 8 8 LYS CA C 8 56.455 56.455 56.882 -0.427 18728 13228 1 14 . 1 1 8 8 LYS CB C 8 33.341 33.341 32.250 1.091 18728 13229 1 14 . 1 1 8 8 LYS H H 8 8.445 8.445 8.653 -0.208 18728 13230 1 14 . 1 1 9 9 GLU N N 9 121.243 121.243 121.948 -0.705 18728 13231 1 14 . 1 1 9 9 GLU HA H 9 4.606 4.606 4.579 0.027 18728 13232 1 14 . 1 1 9 9 GLU CA C 9 54.480 54.480 54.408 0.072 18728 13233 1 14 . 1 1 9 9 GLU CB C 9 29.572 29.572 29.326 0.246 18728 13234 1 14 . 1 1 9 9 GLU H H 9 8.313 8.313 7.999 0.314 18728 13235 1 14 . 1 1 10 10 PRO HA H 10 4.335 4.335 4.417 -0.082 18728 13236 1 14 . 1 1 10 10 PRO C C 10 177.491 177.491 177.852 -0.361 18728 13237 1 14 . 1 1 10 10 PRO CA C 10 63.587 63.587 62.464 1.123 18728 13238 1 14 . 1 1 10 10 PRO CB C 10 32.374 32.374 33.053 -0.680 18728 13239 1 14 . 1 1 11 11 GLU N N 11 123.071 123.071 120.523 2.548 18728 13240 1 14 . 1 1 11 11 GLU HA H 11 3.686 3.686 3.895 -0.209 18728 13241 1 14 . 1 1 11 11 GLU C C 11 177.984 177.984 177.951 0.033 18728 13242 1 14 . 1 1 11 11 GLU CA C 11 59.651 59.651 59.576 0.075 18728 13243 1 14 . 1 1 11 11 GLU CB C 11 29.819 29.819 28.956 0.863 18728 13244 1 14 . 1 1 11 11 GLU H H 11 8.692 8.692 8.791 -0.099 18728 13245 1 14 . 1 1 12 12 GLN N N 12 116.079 116.079 115.054 1.025 18728 13246 1 14 . 1 1 12 12 GLN HA H 12 3.979 3.979 4.196 -0.217 18728 13247 1 14 . 1 1 12 12 GLN C C 12 177.579 177.579 176.702 0.877 18728 13248 1 14 . 1 1 12 12 GLN CA C 12 58.526 58.526 58.071 0.455 18728 13249 1 14 . 1 1 12 12 GLN CB C 12 28.112 28.112 28.382 -0.270 18728 13250 1 14 . 1 1 12 12 GLN H H 12 8.647 8.647 8.319 0.328 18728 13251 1 14 . 1 1 13 13 LEU N N 13 116.530 116.530 118.193 -1.663 18728 13252 1 14 . 1 1 13 13 LEU HA H 13 4.264 4.264 4.454 -0.190 18728 13253 1 14 . 1 1 13 13 LEU C C 13 177.080 177.080 177.216 -0.136 18728 13254 1 14 . 1 1 13 13 LEU CA C 13 55.945 55.945 55.524 0.421 18728 13255 1 14 . 1 1 13 13 LEU CB C 13 42.317 42.317 42.694 -0.377 18728 13256 1 14 . 1 1 13 13 LEU H H 13 7.471 7.471 7.689 -0.218 18728 13257 1 14 . 1 1 14 14 ARG N N 14 116.981 116.981 114.080 2.901 18728 13258 1 14 . 1 1 14 14 ARG HA H 14 4.417 4.417 4.549 -0.132 18728 13259 1 14 . 1 1 14 14 ARG C C 14 172.996 172.996 175.818 -2.822 18728 13260 1 14 . 1 1 14 14 ARG CA C 14 56.067 56.067 55.645 0.422 18728 13261 1 14 . 1 1 14 14 ARG CB C 14 29.944 29.944 31.357 -1.413 18728 13262 1 14 . 1 1 14 14 ARG H H 14 7.576 7.576 7.493 0.083 18728 13263 1 14 . 1 1 15 15 LYS N N 15 119.990 119.990 122.308 -2.318 18728 13264 1 14 . 1 1 15 15 LYS HA H 15 5.198 5.198 5.129 0.069 18728 13265 1 14 . 1 1 15 15 LYS CA C 15 55.301 55.301 55.619 -0.318 18728 13266 1 14 . 1 1 15 15 LYS CB C 15 35.888 35.888 35.377 0.511 18728 13267 1 14 . 1 1 15 15 LYS H H 15 6.946 6.946 7.771 -0.825 18728 13268 1 14 . 1 1 16 16 LEU N N 16 126.081 126.081 124.323 1.758 18728 13269 1 14 . 1 1 16 16 LEU HA H 16 5.016 5.016 5.299 -0.283 18728 13270 1 14 . 1 1 16 16 LEU C C 16 176.309 176.309 175.420 0.889 18728 13271 1 14 . 1 1 16 16 LEU CA C 16 53.334 53.334 53.347 -0.013 18728 13272 1 14 . 1 1 16 16 LEU CB C 16 45.062 45.062 45.925 -0.862 18728 13273 1 14 . 1 1 16 16 LEU H H 16 9.605 9.605 8.983 0.622 18728 13274 1 14 . 1 1 17 17 PHE N N 17 123.569 123.569 125.904 -2.335 18728 13275 1 14 . 1 1 17 17 PHE HA H 17 4.585 4.585 5.223 -0.638 18728 13276 1 14 . 1 1 17 17 PHE C C 17 174.362 174.362 174.143 0.219 18728 13277 1 14 . 1 1 17 17 PHE CA C 17 57.153 57.153 55.690 1.463 18728 13278 1 14 . 1 1 17 17 PHE CB C 17 40.603 40.603 40.728 -0.125 18728 13279 1 14 . 1 1 17 17 PHE H H 17 9.023 9.023 9.436 -0.413 18728 13280 1 14 . 1 1 18 18 ILE N N 18 126.932 126.932 128.651 -1.719 18728 13281 1 14 . 1 1 18 18 ILE HA H 18 4.029 4.029 4.146 -0.117 18728 13282 1 14 . 1 1 18 18 ILE C C 18 173.832 173.832 174.847 -1.015 18728 13283 1 14 . 1 1 18 18 ILE CA C 18 59.156 59.156 58.227 0.929 18728 13284 1 14 . 1 1 18 18 ILE CB C 18 36.909 36.909 36.304 0.605 18728 13285 1 14 . 1 1 18 18 ILE H H 18 8.486 8.486 8.565 -0.079 18728 13286 1 14 . 1 1 19 19 GLY N N 19 112.953 112.953 112.704 0.249 18728 13287 1 14 . 1 1 19 19 GLY C C 19 174.426 174.426 173.858 0.568 18728 13288 1 14 . 1 1 19 19 GLY CA C 19 43.611 43.611 43.100 0.511 18728 13289 1 14 . 1 1 19 19 GLY H H 19 7.948 7.948 8.647 -0.699 18728 13290 1 14 . 1 1 20 20 GLY N N 20 107.584 107.584 110.480 -2.896 18728 13291 1 14 . 1 1 20 20 GLY C C 20 175.563 175.563 174.461 1.102 18728 13292 1 14 . 1 1 20 20 GLY CA C 20 46.530 46.530 45.109 1.421 18728 13293 1 14 . 1 1 20 20 GLY H H 20 8.542 8.542 8.118 0.424 18728 13294 1 14 . 1 1 21 21 LEU N N 21 115.232 115.232 120.303 -5.071 18728 13295 1 14 . 1 1 21 21 LEU HA H 21 4.025 4.025 4.138 -0.113 18728 13296 1 14 . 1 1 21 21 LEU C C 21 179.121 179.121 176.559 2.562 18728 13297 1 14 . 1 1 21 21 LEU CA C 21 54.192 54.192 54.578 -0.386 18728 13298 1 14 . 1 1 21 21 LEU CB C 21 42.892 42.892 42.570 0.322 18728 13299 1 14 . 1 1 21 21 LEU H H 21 7.472 7.472 7.812 -0.340 18728 13300 1 14 . 1 1 22 22 SER N N 22 114.737 114.737 114.234 0.503 18728 13301 1 14 . 1 1 22 22 SER HA H 22 4.125 4.125 4.338 -0.213 18728 13302 1 14 . 1 1 22 22 SER C C 22 177.842 177.842 175.437 2.405 18728 13303 1 14 . 1 1 22 22 SER CA C 22 57.635 57.635 57.123 0.512 18728 13304 1 14 . 1 1 22 22 SER CB C 22 63.106 63.106 64.667 -1.561 18728 13305 1 14 . 1 1 22 22 SER H H 22 9.136 9.136 8.095 1.041 18728 13306 1 14 . 1 1 23 23 PHE N N 23 128.194 128.194 118.405 9.789 18728 13307 1 14 . 1 1 23 23 PHE HA H 23 4.307 4.307 4.550 -0.243 18728 13308 1 14 . 1 1 23 23 PHE C C 23 175.626 175.626 176.658 -1.032 18728 13309 1 14 . 1 1 23 23 PHE CA C 23 60.205 60.205 59.463 0.742 18728 13310 1 14 . 1 1 23 23 PHE CB C 23 37.570 37.570 38.834 -1.264 18728 13311 1 14 . 1 1 23 23 PHE H H 23 9.034 9.034 8.665 0.369 18728 13312 1 14 . 1 1 24 24 GLU N N 24 116.093 116.093 115.729 0.364 18728 13313 1 14 . 1 1 24 24 GLU HA H 24 4.255 4.255 4.609 -0.354 18728 13314 1 14 . 1 1 24 24 GLU C C 24 177.429 177.429 175.295 2.134 18728 13315 1 14 . 1 1 24 24 GLU CA C 24 56.522 56.522 55.180 1.342 18728 13316 1 14 . 1 1 24 24 GLU CB C 24 29.980 29.980 30.538 -0.558 18728 13317 1 14 . 1 1 24 24 GLU H H 24 8.295 8.295 8.494 -0.199 18728 13318 1 14 . 1 1 25 25 THR N N 25 118.836 118.836 118.560 0.276 18728 13319 1 14 . 1 1 25 25 THR HA H 25 4.091 4.091 4.245 -0.154 18728 13320 1 14 . 1 1 25 25 THR C C 25 174.238 174.238 173.984 0.254 18728 13321 1 14 . 1 1 25 25 THR CA C 25 64.862 64.862 63.538 1.323 18728 13322 1 14 . 1 1 25 25 THR CB C 25 68.584 68.584 69.130 -0.546 18728 13323 1 14 . 1 1 25 25 THR H H 25 7.280 7.280 7.414 -0.134 18728 13324 1 14 . 1 1 26 26 THR N N 26 119.434 119.434 117.428 2.006 18728 13325 1 14 . 1 1 26 26 THR HA H 26 4.484 4.484 4.548 -0.064 18728 13326 1 14 . 1 1 26 26 THR C C 26 174.563 174.563 175.508 -0.945 18728 13327 1 14 . 1 1 26 26 THR CA C 26 59.361 59.361 59.492 -0.131 18728 13328 1 14 . 1 1 26 26 THR CB C 26 72.727 72.727 71.233 1.494 18728 13329 1 14 . 1 1 26 26 THR H H 26 8.447 8.447 8.231 0.216 18728 13330 1 14 . 1 1 27 27 ASP N N 27 120.342 120.342 123.230 -2.888 18728 13331 1 14 . 1 1 27 27 ASP HA H 27 3.920 3.920 4.258 -0.338 18728 13332 1 14 . 1 1 27 27 ASP C C 27 178.347 178.347 177.869 0.478 18728 13333 1 14 . 1 1 27 27 ASP CA C 27 58.148 58.148 57.328 0.820 18728 13334 1 14 . 1 1 27 27 ASP CB C 27 39.954 39.954 40.332 -0.378 18728 13335 1 14 . 1 1 27 27 ASP H H 27 8.794 8.794 8.943 -0.149 18728 13336 1 14 . 1 1 28 28 GLU N N 28 116.494 116.494 119.116 -2.622 18728 13337 1 14 . 1 1 28 28 GLU HA H 28 3.993 3.993 4.104 -0.111 18728 13338 1 14 . 1 1 28 28 GLU C C 28 178.987 178.987 178.805 0.182 18728 13339 1 14 . 1 1 28 28 GLU CA C 28 60.281 60.281 59.258 1.023 18728 13340 1 14 . 1 1 28 28 GLU CB C 28 29.193 29.193 28.982 0.211 18728 13341 1 14 . 1 1 28 28 GLU H H 28 8.444 8.444 8.857 -0.413 18728 13342 1 14 . 1 1 29 29 SER N N 29 120.532 120.532 116.698 3.834 18728 13343 1 14 . 1 1 29 29 SER HA H 29 4.333 4.333 4.336 -0.003 18728 13344 1 14 . 1 1 29 29 SER C C 29 178.125 178.125 176.532 1.593 18728 13345 1 14 . 1 1 29 29 SER CA C 29 61.720 61.720 61.514 0.206 18728 13346 1 14 . 1 1 29 29 SER H H 29 8.384 8.384 7.638 0.746 18728 13347 1 14 . 1 1 30 30 LEU N N 30 126.754 126.754 124.354 2.400 18728 13348 1 14 . 1 1 30 30 LEU HA H 30 4.080 4.080 4.210 -0.130 18728 13349 1 14 . 1 1 30 30 LEU C C 30 178.341 178.341 177.652 0.689 18728 13350 1 14 . 1 1 30 30 LEU CA C 30 58.073 58.073 57.865 0.208 18728 13351 1 14 . 1 1 30 30 LEU CB C 30 42.524 42.524 41.713 0.811 18728 13352 1 14 . 1 1 30 30 LEU H H 30 8.487 8.487 8.360 0.127 18728 13353 1 14 . 1 1 31 31 ARG N N 31 121.192 121.192 119.601 1.591 18728 13354 1 14 . 1 1 31 31 ARG HA H 31 3.863 3.863 3.867 -0.004 18728 13355 1 14 . 1 1 31 31 ARG C C 31 177.765 177.765 178.304 -0.539 18728 13356 1 14 . 1 1 31 31 ARG CA C 31 59.706 59.706 60.088 -0.382 18728 13357 1 14 . 1 1 31 31 ARG CB C 31 30.648 30.648 30.056 0.592 18728 13358 1 14 . 1 1 31 31 ARG H H 31 7.980 7.980 8.540 -0.560 18728 13359 1 14 . 1 1 32 32 SER N N 32 112.868 112.868 113.529 -0.661 18728 13360 1 14 . 1 1 32 32 SER HA H 32 4.104 4.104 4.223 -0.119 18728 13361 1 14 . 1 1 32 32 SER C C 32 176.416 176.416 176.067 0.349 18728 13362 1 14 . 1 1 32 32 SER CA C 32 61.437 61.437 61.797 -0.360 18728 13363 1 14 . 1 1 32 32 SER CB C 32 62.933 62.933 62.846 0.086 18728 13364 1 14 . 1 1 32 32 SER H H 32 8.295 8.295 8.131 0.164 18728 13365 1 14 . 1 1 33 33 HIS N N 33 115.910 115.910 120.914 -5.004 18728 13366 1 14 . 1 1 33 33 HIS HA H 33 4.346 4.346 4.374 -0.028 18728 13367 1 14 . 1 1 33 33 HIS C C 33 177.510 177.510 177.931 -0.421 18728 13368 1 14 . 1 1 33 33 HIS CA C 33 60.373 60.373 59.745 0.628 18728 13369 1 14 . 1 1 33 33 HIS CB C 33 30.776 30.776 30.461 0.315 18728 13370 1 14 . 1 1 33 33 HIS H H 33 7.406 7.406 7.833 -0.427 18728 13371 1 14 . 1 1 34 34 PHE N N 34 113.562 113.562 118.968 -5.406 18728 13372 1 14 . 1 1 34 34 PHE HA H 34 4.526 4.526 4.772 -0.246 18728 13373 1 14 . 1 1 34 34 PHE C C 34 179.061 179.061 178.447 0.614 18728 13374 1 14 . 1 1 34 34 PHE CA C 34 64.104 64.104 61.755 2.349 18728 13375 1 14 . 1 1 34 34 PHE CB C 34 38.379 38.379 39.092 -0.713 18728 13376 1 14 . 1 1 34 34 PHE H H 34 8.227 8.227 8.469 -0.242 18728 13377 1 14 . 1 1 35 35 GLU N N 35 124.490 124.490 120.405 4.085 18728 13378 1 14 . 1 1 35 35 GLU HA H 35 4.962 4.962 4.498 0.464 18728 13379 1 14 . 1 1 35 35 GLU C C 35 176.476 176.476 177.608 -1.132 18728 13380 1 14 . 1 1 35 35 GLU CA C 35 57.950 57.950 58.304 -0.354 18728 13381 1 14 . 1 1 35 35 GLU CB C 35 28.690 28.690 29.301 -0.611 18728 13382 1 14 . 1 1 35 35 GLU H H 35 9.219 9.219 8.629 0.590 18728 13383 1 14 . 1 1 36 36 GLN N N 36 116.596 116.596 117.324 -0.728 18728 13384 1 14 . 1 1 36 36 GLN HA H 36 3.706 3.706 3.939 -0.233 18728 13385 1 14 . 1 1 36 36 GLN C C 36 176.486 176.486 177.403 -0.917 18728 13386 1 14 . 1 1 36 36 GLN CA C 36 58.206 58.206 57.766 0.440 18728 13387 1 14 . 1 1 36 36 GLN CB C 36 27.731 27.731 28.158 -0.427 18728 13388 1 14 . 1 1 36 36 GLN H H 36 7.011 7.011 7.500 -0.489 18728 13389 1 14 . 1 1 37 37 TRP N N 37 114.690 114.690 117.060 -2.370 18728 13390 1 14 . 1 1 37 37 TRP HA H 37 4.481 4.481 4.862 -0.381 18728 13391 1 14 . 1 1 37 37 TRP C C 37 173.662 173.662 176.508 -2.846 18728 13392 1 14 . 1 1 37 37 TRP CA C 37 61.557 61.557 58.323 3.234 18728 13393 1 14 . 1 1 37 37 TRP CB C 37 29.074 29.074 31.400 -2.326 18728 13394 1 14 . 1 1 37 37 TRP H H 37 7.017 7.017 7.810 -0.793 18728 13395 1 14 . 1 1 38 38 GLY N N 38 105.060 105.060 105.372 -0.312 18728 13396 1 14 . 1 1 38 38 GLY C C 38 171.596 171.596 172.514 -0.918 18728 13397 1 14 . 1 1 38 38 GLY CA C 38 45.545 45.545 45.622 -0.077 18728 13398 1 14 . 1 1 38 38 GLY H H 38 7.294 7.294 7.750 -0.456 18728 13399 1 14 . 1 1 39 39 THR N N 39 117.179 117.179 120.335 -3.156 18728 13400 1 14 . 1 1 39 39 THR HA H 39 4.231 4.231 4.321 -0.090 18728 13401 1 14 . 1 1 39 39 THR C C 39 173.760 173.760 174.408 -0.648 18728 13402 1 14 . 1 1 39 39 THR CA C 39 62.904 62.904 64.518 -1.614 18728 13403 1 14 . 1 1 39 39 THR CB C 39 69.813 69.813 69.145 0.668 18728 13404 1 14 . 1 1 39 39 THR H H 39 8.770 8.770 8.642 0.128 18728 13405 1 14 . 1 1 40 40 LEU N N 40 126.702 126.702 128.921 -2.219 18728 13406 1 14 . 1 1 40 40 LEU HA H 40 4.943 4.943 4.539 0.404 18728 13407 1 14 . 1 1 40 40 LEU C C 40 178.358 178.358 177.777 0.581 18728 13408 1 14 . 1 1 40 40 LEU CA C 40 52.969 52.969 54.465 -1.496 18728 13409 1 14 . 1 1 40 40 LEU CB C 40 41.893 41.893 42.556 -0.663 18728 13410 1 14 . 1 1 40 40 LEU H H 40 8.831 8.831 8.769 0.062 18728 13411 1 14 . 1 1 41 41 THR N N 41 117.175 117.175 114.324 2.851 18728 13412 1 14 . 1 1 41 41 THR HA H 41 4.197 4.197 4.354 -0.157 18728 13413 1 14 . 1 1 41 41 THR C C 41 175.050 175.050 174.925 0.125 18728 13414 1 14 . 1 1 41 41 THR CA C 41 62.668 62.668 62.946 -0.278 18728 13415 1 14 . 1 1 41 41 THR CB C 41 67.618 67.618 69.929 -2.311 18728 13416 1 14 . 1 1 41 41 THR H H 41 8.926 8.926 9.088 -0.162 18728 13417 1 14 . 1 1 42 42 ASP N N 42 118.764 118.764 121.408 -2.644 18728 13418 1 14 . 1 1 42 42 ASP HA H 42 4.620 4.620 4.831 -0.211 18728 13419 1 14 . 1 1 42 42 ASP C C 42 174.637 174.637 173.619 1.018 18728 13420 1 14 . 1 1 42 42 ASP CA C 42 54.235 54.235 54.467 -0.232 18728 13421 1 14 . 1 1 42 42 ASP CB C 42 44.253 44.253 44.052 0.201 18728 13422 1 14 . 1 1 42 42 ASP H H 42 7.513 7.513 7.962 -0.449 18728 13423 1 14 . 1 1 43 43 CYS N N 43 123.632 123.632 122.042 1.590 18728 13424 1 14 . 1 1 43 43 CYS HA H 43 4.842 4.842 5.355 -0.513 18728 13425 1 14 . 1 1 43 43 CYS C C 43 171.885 171.885 172.558 -0.673 18728 13426 1 14 . 1 1 43 43 CYS CA C 43 59.376 59.376 57.718 1.658 18728 13427 1 14 . 1 1 43 43 CYS CB C 43 26.377 26.377 30.225 -3.848 18728 13428 1 14 . 1 1 43 43 CYS H H 43 8.436 8.436 8.548 -0.112 18728 13429 1 14 . 1 1 44 44 VAL N N 44 126.787 126.787 127.063 -0.276 18728 13430 1 14 . 1 1 44 44 VAL HA H 44 4.576 4.576 4.426 0.150 18728 13431 1 14 . 1 1 44 44 VAL C C 44 173.371 173.371 173.593 -0.222 18728 13432 1 14 . 1 1 44 44 VAL CA C 44 60.151 60.151 61.120 -0.969 18728 13433 1 14 . 1 1 44 44 VAL CB C 44 36.424 36.424 36.220 0.204 18728 13434 1 14 . 1 1 44 44 VAL H H 44 8.737 8.737 8.968 -0.231 18728 13435 1 14 . 1 1 45 45 VAL N N 45 125.522 125.522 128.498 -2.976 18728 13436 1 14 . 1 1 45 45 VAL HA H 45 3.711 3.711 4.027 -0.316 18728 13437 1 14 . 1 1 45 45 VAL C C 45 176.674 176.674 175.221 1.453 18728 13438 1 14 . 1 1 45 45 VAL CA C 45 62.509 62.509 62.599 -0.090 18728 13439 1 14 . 1 1 45 45 VAL CB C 45 33.175 33.175 32.124 1.051 18728 13440 1 14 . 1 1 45 45 VAL H H 45 8.269 8.269 8.521 -0.252 18728 13441 1 14 . 1 1 46 46 MET N N 46 126.833 126.833 128.184 -1.351 18728 13442 1 14 . 1 1 46 46 MET HA H 46 4.441 4.441 4.380 0.061 18728 13443 1 14 . 1 1 46 46 MET C C 46 175.413 175.413 174.873 0.540 18728 13444 1 14 . 1 1 46 46 MET CA C 46 54.852 54.852 54.217 0.635 18728 13445 1 14 . 1 1 46 46 MET CB C 46 30.454 30.454 29.703 0.751 18728 13446 1 14 . 1 1 46 46 MET H H 46 8.445 8.445 8.270 0.175 18728 13447 1 14 . 1 1 47 47 ARG N N 47 120.697 120.697 123.313 -2.616 18728 13448 1 14 . 1 1 47 47 ARG HA H 47 4.838 4.838 4.722 0.116 18728 13449 1 14 . 1 1 47 47 ARG CA C 47 54.308 54.308 54.479 -0.171 18728 13450 1 14 . 1 1 47 47 ARG CB C 47 34.048 34.048 32.269 1.779 18728 13451 1 14 . 1 1 47 47 ARG H H 47 8.308 8.308 7.908 0.400 18728 13452 1 14 . 1 1 48 48 ASP N N 48 125.146 125.146 121.286 3.860 18728 13453 1 14 . 1 1 48 48 ASP HA H 48 4.686 4.686 4.874 -0.188 18728 13454 1 14 . 1 1 48 48 ASP C C 48 176.046 176.046 176.361 -0.315 18728 13455 1 14 . 1 1 48 48 ASP CA C 48 52.106 52.106 51.797 0.309 18728 13456 1 14 . 1 1 48 48 ASP CB C 48 42.878 42.878 41.920 0.958 18728 13457 1 14 . 1 1 48 48 ASP H H 48 8.577 8.577 8.320 0.257 18728 13458 1 14 . 1 1 49 49 PRO HA H 49 4.310 4.310 4.213 0.097 18728 13459 1 14 . 1 1 49 49 PRO C C 49 177.166 177.166 178.045 -0.879 18728 13460 1 14 . 1 1 49 49 PRO CA C 49 64.584 64.584 65.077 -0.493 18728 13461 1 14 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.079 0.057 18728 13462 1 14 . 1 1 50 50 ASN N N 50 115.474 115.474 117.087 -1.613 18728 13463 1 14 . 1 1 50 50 ASN HA H 50 4.723 4.723 4.707 0.016 18728 13464 1 14 . 1 1 50 50 ASN C C 50 176.642 176.642 177.374 -0.732 18728 13465 1 14 . 1 1 50 50 ASN CA C 50 55.444 55.444 55.902 -0.458 18728 13466 1 14 . 1 1 50 50 ASN CB C 50 39.455 39.455 39.483 -0.027 18728 13467 1 14 . 1 1 50 50 ASN H H 50 8.560 8.560 8.315 0.245 18728 13468 1 14 . 1 1 51 51 THR N N 51 108.788 108.788 114.004 -5.216 18728 13469 1 14 . 1 1 51 51 THR HA H 51 4.264 4.264 4.409 -0.145 18728 13470 1 14 . 1 1 51 51 THR C C 51 176.018 176.018 174.518 1.500 18728 13471 1 14 . 1 1 51 51 THR CA C 51 62.063 62.063 62.807 -0.744 18728 13472 1 14 . 1 1 51 51 THR CB C 51 70.768 70.768 69.752 1.016 18728 13473 1 14 . 1 1 51 51 THR H H 51 8.277 8.277 8.954 -0.677 18728 13474 1 14 . 1 1 52 52 LYS N N 52 114.615 114.615 117.246 -2.631 18728 13475 1 14 . 1 1 52 52 LYS HA H 52 3.917 3.917 4.048 -0.131 18728 13476 1 14 . 1 1 52 52 LYS C C 52 175.376 175.376 174.986 0.390 18728 13477 1 14 . 1 1 52 52 LYS CA C 52 57.902 57.902 56.916 0.986 18728 13478 1 14 . 1 1 52 52 LYS CB C 52 29.293 29.293 29.776 -0.483 18728 13479 1 14 . 1 1 52 52 LYS H H 52 8.091 8.091 8.064 0.027 18728 13480 1 14 . 1 1 53 53 ARG N N 53 120.395 120.395 117.644 2.751 18728 13481 1 14 . 1 1 53 53 ARG HA H 53 4.169 4.169 4.580 -0.411 18728 13482 1 14 . 1 1 53 53 ARG C C 53 176.619 176.619 176.762 -0.143 18728 13483 1 14 . 1 1 53 53 ARG CA C 53 56.233 56.233 53.605 2.628 18728 13484 1 14 . 1 1 53 53 ARG CB C 53 31.045 31.045 31.274 -0.229 18728 13485 1 14 . 1 1 53 53 ARG H H 53 7.847 7.847 7.609 0.238 18728 13486 1 14 . 1 1 54 54 SER N N 54 116.987 116.987 117.709 -0.722 18728 13487 1 14 . 1 1 54 54 SER HA H 54 4.186 4.186 4.348 -0.162 18728 13488 1 14 . 1 1 54 54 SER C C 54 175.755 175.755 175.527 0.228 18728 13489 1 14 . 1 1 54 54 SER CA C 54 58.559 58.559 58.551 0.008 18728 13490 1 14 . 1 1 54 54 SER CB C 54 63.922 63.922 63.751 0.171 18728 13491 1 14 . 1 1 54 54 SER H H 54 8.810 8.810 8.284 0.526 18728 13492 1 14 . 1 1 55 55 ARG N N 55 123.427 123.427 128.307 -4.880 18728 13493 1 14 . 1 1 55 55 ARG HA H 55 4.403 4.403 4.326 0.077 18728 13494 1 14 . 1 1 55 55 ARG C C 55 177.962 177.962 176.897 1.065 18728 13495 1 14 . 1 1 55 55 ARG CA C 55 56.096 56.096 56.207 -0.111 18728 13496 1 14 . 1 1 55 55 ARG CB C 55 31.294 31.294 30.184 1.110 18728 13497 1 14 . 1 1 55 55 ARG H H 55 8.976 8.976 8.620 0.356 18728 13498 1 14 . 1 1 56 56 GLY N N 56 107.308 107.308 106.744 0.564 18728 13499 1 14 . 1 1 56 56 GLY C C 56 171.856 171.856 173.560 -1.704 18728 13500 1 14 . 1 1 56 56 GLY CA C 56 45.669 45.669 45.049 0.620 18728 13501 1 14 . 1 1 56 56 GLY H H 56 9.375 9.375 7.968 1.407 18728 13502 1 14 . 1 1 57 57 PHE N N 57 112.537 112.537 115.148 -2.611 18728 13503 1 14 . 1 1 57 57 PHE HA H 57 5.201 5.201 5.401 -0.200 18728 13504 1 14 . 1 1 57 57 PHE C C 57 172.646 172.646 173.005 -0.359 18728 13505 1 14 . 1 1 57 57 PHE CA C 57 54.918 54.918 55.439 -0.521 18728 13506 1 14 . 1 1 57 57 PHE CB C 57 41.743 41.743 40.928 0.815 18728 13507 1 14 . 1 1 57 57 PHE H H 57 7.044 7.044 7.076 -0.032 18728 13508 1 14 . 1 1 58 58 GLY N N 58 106.816 106.816 106.265 0.551 18728 13509 1 14 . 1 1 58 58 GLY C C 58 169.931 169.931 171.188 -1.257 18728 13510 1 14 . 1 1 58 58 GLY CA C 58 45.304 45.304 44.501 0.803 18728 13511 1 14 . 1 1 58 58 GLY H H 58 8.345 8.345 8.194 0.151 18728 13512 1 14 . 1 1 59 59 PHE N N 59 115.179 115.179 115.318 -0.139 18728 13513 1 14 . 1 1 59 59 PHE HA H 59 5.645 5.645 5.601 0.044 18728 13514 1 14 . 1 1 59 59 PHE C C 59 174.929 174.929 174.174 0.755 18728 13515 1 14 . 1 1 59 59 PHE CA C 59 56.541 56.541 56.228 0.313 18728 13516 1 14 . 1 1 59 59 PHE CB C 59 43.984 43.984 43.889 0.095 18728 13517 1 14 . 1 1 59 59 PHE H H 59 8.903 8.903 8.619 0.284 18728 13518 1 14 . 1 1 60 60 VAL N N 60 115.310 115.310 116.650 -1.340 18728 13519 1 14 . 1 1 60 60 VAL HA H 60 4.540 4.540 4.784 -0.244 18728 13520 1 14 . 1 1 60 60 VAL C C 60 173.246 173.246 175.052 -1.806 18728 13521 1 14 . 1 1 60 60 VAL CA C 60 59.421 59.421 60.440 -1.019 18728 13522 1 14 . 1 1 60 60 VAL CB C 60 34.678 34.678 33.300 1.379 18728 13523 1 14 . 1 1 60 60 VAL H H 60 8.569 8.569 9.086 -0.517 18728 13524 1 14 . 1 1 61 61 THR N N 61 120.158 120.158 123.979 -3.821 18728 13525 1 14 . 1 1 61 61 THR HA H 61 5.068 5.068 4.805 0.263 18728 13526 1 14 . 1 1 61 61 THR C C 61 173.985 173.985 174.028 -0.043 18728 13527 1 14 . 1 1 61 61 THR CA C 61 61.033 61.033 62.310 -1.277 18728 13528 1 14 . 1 1 61 61 THR CB C 61 70.114 70.114 69.340 0.774 18728 13529 1 14 . 1 1 61 61 THR H H 61 8.180 8.180 8.938 -0.758 18728 13530 1 14 . 1 1 62 62 TYR N N 62 125.280 125.280 127.266 -1.986 18728 13531 1 14 . 1 1 62 62 TYR HA H 62 5.357 5.357 4.713 0.644 18728 13532 1 14 . 1 1 62 62 TYR C C 62 176.696 176.696 177.025 -0.329 18728 13533 1 14 . 1 1 62 62 TYR CA C 62 58.297 58.297 59.121 -0.824 18728 13534 1 14 . 1 1 62 62 TYR CB C 62 42.217 42.217 39.967 2.250 18728 13535 1 14 . 1 1 62 62 TYR H H 62 8.407 8.407 8.992 -0.585 18728 13536 1 14 . 1 1 63 63 ALA N N 63 121.648 121.648 122.806 -1.158 18728 13537 1 14 . 1 1 63 63 ALA HA H 63 4.052 4.052 4.265 -0.213 18728 13538 1 14 . 1 1 63 63 ALA C C 63 178.252 178.252 177.288 0.964 18728 13539 1 14 . 1 1 63 63 ALA CA C 63 55.269 55.269 54.575 0.694 18728 13540 1 14 . 1 1 63 63 ALA CB C 63 19.068 19.068 19.419 -0.351 18728 13541 1 14 . 1 1 63 63 ALA H H 63 8.749 8.749 9.040 -0.291 18728 13542 1 14 . 1 1 64 64 THR N N 64 105.238 105.238 110.945 -5.707 18728 13543 1 14 . 1 1 64 64 THR HA H 64 4.902 4.902 4.748 0.154 18728 13544 1 14 . 1 1 64 64 THR C C 64 174.667 174.667 174.629 0.038 18728 13545 1 14 . 1 1 64 64 THR CA C 64 59.184 59.184 60.858 -1.674 18728 13546 1 14 . 1 1 64 64 THR CB C 64 73.193 73.193 72.459 0.734 18728 13547 1 14 . 1 1 64 64 THR H H 64 7.992 7.992 7.456 0.536 18728 13548 1 14 . 1 1 65 65 VAL N N 65 120.939 120.939 123.046 -2.107 18728 13549 1 14 . 1 1 65 65 VAL HA H 65 3.670 3.670 3.783 -0.113 18728 13550 1 14 . 1 1 65 65 VAL C C 65 177.446 177.446 177.031 0.415 18728 13551 1 14 . 1 1 65 65 VAL CA C 65 65.535 65.535 65.140 0.395 18728 13552 1 14 . 1 1 65 65 VAL CB C 65 31.538 31.538 32.097 -0.559 18728 13553 1 14 . 1 1 65 65 VAL H H 65 8.968 8.968 9.291 -0.323 18728 13554 1 14 . 1 1 66 66 GLU N N 66 120.818 120.818 118.936 1.882 18728 13555 1 14 . 1 1 66 66 GLU HA H 66 4.045 4.045 3.931 0.114 18728 13556 1 14 . 1 1 66 66 GLU C C 66 180.056 180.056 178.622 1.434 18728 13557 1 14 . 1 1 66 66 GLU CA C 66 60.430 60.430 60.020 0.410 18728 13558 1 14 . 1 1 66 66 GLU CB C 66 28.909 28.909 28.850 0.059 18728 13559 1 14 . 1 1 66 66 GLU H H 66 8.686 8.686 8.770 -0.084 18728 13560 1 14 . 1 1 67 67 GLU N N 67 120.729 120.729 118.156 2.573 18728 13561 1 14 . 1 1 67 67 GLU HA H 67 3.853 3.853 4.025 -0.172 18728 13562 1 14 . 1 1 67 67 GLU C C 67 177.040 177.040 178.706 -1.666 18728 13563 1 14 . 1 1 67 67 GLU CA C 67 59.391 59.391 58.778 0.613 18728 13564 1 14 . 1 1 67 67 GLU CB C 67 29.590 29.590 28.957 0.633 18728 13565 1 14 . 1 1 67 67 GLU H H 67 7.487 7.487 7.462 0.025 18728 13566 1 14 . 1 1 68 68 VAL N N 68 118.408 118.408 119.587 -1.179 18728 13567 1 14 . 1 1 68 68 VAL HA H 68 3.165 3.165 3.109 0.056 18728 13568 1 14 . 1 1 68 68 VAL C C 68 178.293 178.293 177.620 0.673 18728 13569 1 14 . 1 1 68 68 VAL CA C 68 66.391 66.391 66.517 -0.126 18728 13570 1 14 . 1 1 68 68 VAL CB C 68 31.092 31.092 31.743 -0.651 18728 13571 1 14 . 1 1 68 68 VAL H H 68 6.882 6.882 7.045 -0.163 18728 13572 1 14 . 1 1 69 69 ASP N N 69 119.356 119.356 119.939 -0.583 18728 13573 1 14 . 1 1 69 69 ASP HA H 69 4.128 4.128 4.268 -0.140 18728 13574 1 14 . 1 1 69 69 ASP C C 69 178.765 178.765 178.014 0.751 18728 13575 1 14 . 1 1 69 69 ASP CA C 69 57.394 57.394 57.351 0.043 18728 13576 1 14 . 1 1 69 69 ASP CB C 69 39.879 39.879 40.644 -0.765 18728 13577 1 14 . 1 1 69 69 ASP H H 69 8.109 8.109 7.680 0.429 18728 13578 1 14 . 1 1 70 70 ALA N N 70 123.031 123.031 121.350 1.681 18728 13579 1 14 . 1 1 70 70 ALA HA H 70 4.070 4.070 4.030 0.040 18728 13580 1 14 . 1 1 70 70 ALA C C 70 180.518 180.518 179.394 1.124 18728 13581 1 14 . 1 1 70 70 ALA CA C 70 55.209 55.209 55.224 -0.015 18728 13582 1 14 . 1 1 70 70 ALA CB C 70 18.104 18.104 18.294 -0.190 18728 13583 1 14 . 1 1 70 70 ALA H H 70 7.736 7.736 7.811 -0.075 18728 13584 1 14 . 1 1 71 71 ALA N N 71 121.446 121.446 119.004 2.442 18728 13585 1 14 . 1 1 71 71 ALA HA H 71 3.034 3.034 3.862 -0.828 18728 13586 1 14 . 1 1 71 71 ALA C C 71 182.248 182.248 179.754 2.494 18728 13587 1 14 . 1 1 71 71 ALA CA C 71 55.251 55.251 54.485 0.766 18728 13588 1 14 . 1 1 71 71 ALA CB C 71 17.976 17.976 18.422 -0.446 18728 13589 1 14 . 1 1 71 71 ALA H H 71 8.101 8.101 7.119 0.982 18728 13590 1 14 . 1 1 72 72 MET N N 72 118.027 118.027 117.554 0.473 18728 13591 1 14 . 1 1 72 72 MET HA H 72 4.430 4.430 4.296 0.134 18728 13592 1 14 . 1 1 72 72 MET C C 72 179.409 179.409 178.610 0.799 18728 13593 1 14 . 1 1 72 72 MET CA C 72 56.379 56.379 57.203 -0.824 18728 13594 1 14 . 1 1 72 72 MET CB C 72 30.498 30.498 31.980 -1.482 18728 13595 1 14 . 1 1 72 72 MET H H 72 8.681 8.681 8.209 0.472 18728 13596 1 14 . 1 1 73 73 ASN N N 73 119.415 119.415 116.910 2.505 18728 13597 1 14 . 1 1 73 73 ASN HA H 73 4.627 4.627 4.614 0.013 18728 13598 1 14 . 1 1 73 73 ASN C C 73 175.014 175.014 176.304 -1.290 18728 13599 1 14 . 1 1 73 73 ASN CA C 73 54.323 54.323 55.024 -0.701 18728 13600 1 14 . 1 1 73 73 ASN CB C 73 38.468 38.468 38.383 0.085 18728 13601 1 14 . 1 1 73 73 ASN H H 73 8.096 8.096 8.558 -0.462 18728 13602 1 14 . 1 1 74 74 ALA N N 74 122.253 122.253 121.488 0.765 18728 13603 1 14 . 1 1 74 74 ALA HA H 74 4.299 4.299 4.223 0.076 18728 13604 1 14 . 1 1 74 74 ALA C C 74 175.305 175.305 177.194 -1.889 18728 13605 1 14 . 1 1 74 74 ALA CA C 74 51.273 51.273 51.592 -0.319 18728 13606 1 14 . 1 1 74 74 ALA CB C 74 18.922 18.922 18.804 0.118 18728 13607 1 14 . 1 1 74 74 ALA H H 74 6.966 6.966 7.288 -0.322 18728 13608 1 14 . 1 1 75 75 ARG N N 75 116.833 116.833 120.106 -3.273 18728 13609 1 14 . 1 1 75 75 ARG HA H 75 3.608 3.608 4.095 -0.487 18728 13610 1 14 . 1 1 75 75 ARG CA C 75 55.086 55.086 55.550 -0.464 18728 13611 1 14 . 1 1 75 75 ARG CB C 75 30.199 30.199 29.946 0.253 18728 13612 1 14 . 1 1 75 75 ARG H H 75 6.749 6.749 7.149 -0.400 18728 13613 1 14 . 1 1 76 76 PRO HA H 76 4.434 4.434 4.499 -0.065 18728 13614 1 14 . 1 1 76 76 PRO C C 76 175.590 175.590 175.710 -0.120 18728 13615 1 14 . 1 1 76 76 PRO CA C 76 61.614 61.614 62.391 -0.777 18728 13616 1 14 . 1 1 76 76 PRO CB C 76 34.982 34.982 32.850 2.132 18728 13617 1 14 . 1 1 77 77 HIS N N 77 122.039 122.039 118.076 3.963 18728 13618 1 14 . 1 1 77 77 HIS HA H 77 4.559 4.559 4.851 -0.292 18728 13619 1 14 . 1 1 77 77 HIS C C 77 173.137 173.137 174.218 -1.081 18728 13620 1 14 . 1 1 77 77 HIS CA C 77 56.231 56.231 55.638 0.593 18728 13621 1 14 . 1 1 77 77 HIS CB C 77 32.909 32.909 33.751 -0.842 18728 13622 1 14 . 1 1 77 77 HIS H H 77 9.384 9.384 8.401 0.983 18728 13623 1 14 . 1 1 78 78 LYS N N 78 125.607 125.607 123.827 1.780 18728 13624 1 14 . 1 1 78 78 LYS HA H 78 4.939 4.939 5.217 -0.278 18728 13625 1 14 . 1 1 78 78 LYS C C 78 174.858 174.858 174.012 0.846 18728 13626 1 14 . 1 1 78 78 LYS CA C 78 54.755 54.755 55.595 -0.840 18728 13627 1 14 . 1 1 78 78 LYS CB C 78 33.475 33.475 34.412 -0.937 18728 13628 1 14 . 1 1 78 78 LYS H H 78 8.485 8.485 8.709 -0.224 18728 13629 1 14 . 1 1 79 79 VAL N N 79 124.596 124.596 124.617 -0.021 18728 13630 1 14 . 1 1 79 79 VAL HA H 79 3.955 3.955 3.979 -0.024 18728 13631 1 14 . 1 1 79 79 VAL C C 79 176.295 176.295 175.240 1.055 18728 13632 1 14 . 1 1 79 79 VAL CA C 79 60.737 60.737 60.225 0.512 18728 13633 1 14 . 1 1 79 79 VAL CB C 79 33.249 33.249 34.423 -1.174 18728 13634 1 14 . 1 1 79 79 VAL H H 79 8.581 8.581 8.059 0.522 18728 13635 1 14 . 1 1 80 80 ASP N N 80 128.668 128.668 127.247 1.421 18728 13636 1 14 . 1 1 80 80 ASP HA H 80 4.228 4.228 4.315 -0.087 18728 13637 1 14 . 1 1 80 80 ASP C C 80 175.744 175.744 175.928 -0.184 18728 13638 1 14 . 1 1 80 80 ASP CA C 80 55.882 55.882 54.963 0.919 18728 13639 1 14 . 1 1 80 80 ASP CB C 80 39.692 39.692 40.518 -0.826 18728 13640 1 14 . 1 1 80 80 ASP H H 80 9.553 9.553 9.032 0.521 18728 13641 1 14 . 1 1 81 81 GLY N N 81 101.527 101.527 103.687 -2.160 18728 13642 1 14 . 1 1 81 81 GLY C C 81 173.560 173.560 173.752 -0.192 18728 13643 1 14 . 1 1 81 81 GLY CA C 81 45.445 45.445 45.432 0.013 18728 13644 1 14 . 1 1 81 81 GLY H H 81 8.488 8.488 8.480 0.008 18728 13645 1 14 . 1 1 82 82 ARG N N 82 120.493 120.493 119.822 0.671 18728 13646 1 14 . 1 1 82 82 ARG HA H 82 4.640 4.640 4.629 0.011 18728 13647 1 14 . 1 1 82 82 ARG C C 82 174.512 174.512 174.405 0.107 18728 13648 1 14 . 1 1 82 82 ARG CA C 82 53.161 53.161 54.542 -1.381 18728 13649 1 14 . 1 1 82 82 ARG CB C 82 32.507 32.507 33.292 -0.785 18728 13650 1 14 . 1 1 82 82 ARG H H 82 7.555 7.555 7.472 0.083 18728 13651 1 14 . 1 1 83 83 VAL N N 83 124.855 124.855 126.823 -1.968 18728 13652 1 14 . 1 1 83 83 VAL HA H 83 4.501 4.501 4.734 -0.233 18728 13653 1 14 . 1 1 83 83 VAL C C 83 176.701 176.701 174.809 1.892 18728 13654 1 14 . 1 1 83 83 VAL CA C 83 63.290 63.290 61.467 1.823 18728 13655 1 14 . 1 1 83 83 VAL CB C 83 30.867 30.867 33.285 -2.417 18728 13656 1 14 . 1 1 83 83 VAL H H 83 8.633 8.633 8.572 0.061 18728 13657 1 14 . 1 1 84 84 VAL N N 84 122.944 122.944 125.431 -2.487 18728 13658 1 14 . 1 1 84 84 VAL HA H 84 4.667 4.667 4.858 -0.191 18728 13659 1 14 . 1 1 84 84 VAL C C 84 174.969 174.969 174.421 0.548 18728 13660 1 14 . 1 1 84 84 VAL CA C 84 59.499 59.499 58.913 0.586 18728 13661 1 14 . 1 1 84 84 VAL CB C 84 32.761 32.761 34.477 -1.716 18728 13662 1 14 . 1 1 84 84 VAL H H 84 8.391 8.391 8.639 -0.248 18728 13663 1 14 . 1 1 85 85 GLU N N 85 120.907 120.907 122.676 -1.769 18728 13664 1 14 . 1 1 85 85 GLU HA H 85 5.087 5.087 4.972 0.115 18728 13665 1 14 . 1 1 85 85 GLU CA C 85 52.949 52.949 52.445 0.504 18728 13666 1 14 . 1 1 85 85 GLU CB C 85 31.367 31.367 30.927 0.440 18728 13667 1 14 . 1 1 85 85 GLU H H 85 8.681 8.681 9.027 -0.346 18728 13668 1 14 . 1 1 86 86 PRO HA H 86 5.383 5.383 4.792 0.591 18728 13669 1 14 . 1 1 86 86 PRO C C 86 175.908 175.908 176.566 -0.658 18728 13670 1 14 . 1 1 86 86 PRO CA C 86 61.444 61.444 62.202 -0.758 18728 13671 1 14 . 1 1 86 86 PRO CB C 86 32.657 32.657 32.383 0.274 18728 13672 1 14 . 1 1 87 87 LYS N N 87 121.252 121.252 121.978 -0.726 18728 13673 1 14 . 1 1 87 87 LYS HA H 87 4.688 4.688 5.039 -0.351 18728 13674 1 14 . 1 1 87 87 LYS C C 87 175.676 175.676 175.965 -0.289 18728 13675 1 14 . 1 1 87 87 LYS CA C 87 55.101 55.101 54.008 1.093 18728 13676 1 14 . 1 1 87 87 LYS CB C 87 36.608 36.608 36.465 0.143 18728 13677 1 14 . 1 1 87 87 LYS H H 87 9.397 9.397 8.801 0.596 18728 13678 1 14 . 1 1 88 88 ARG N N 88 123.272 123.272 121.485 1.787 18728 13679 1 14 . 1 1 88 88 ARG HA H 88 4.375 4.375 4.470 -0.095 18728 13680 1 14 . 1 1 88 88 ARG C C 88 177.011 177.011 176.764 0.247 18728 13681 1 14 . 1 1 88 88 ARG CA C 88 57.209 57.209 55.929 1.280 18728 13682 1 14 . 1 1 88 88 ARG CB C 88 30.452 30.452 30.569 -0.117 18728 13683 1 14 . 1 1 88 88 ARG H H 88 8.940 8.940 8.988 -0.048 18728 13684 1 14 . 1 1 89 89 ALA N N 89 126.260 126.260 131.930 -5.670 18728 13685 1 14 . 1 1 89 89 ALA HA H 89 4.259 4.259 4.625 -0.366 18728 13686 1 14 . 1 1 89 89 ALA C C 89 177.452 177.452 176.435 1.017 18728 13687 1 14 . 1 1 89 89 ALA CA C 89 53.712 53.712 52.285 1.427 18728 13688 1 14 . 1 1 89 89 ALA CB C 89 18.824 18.824 18.423 0.401 18728 13689 1 14 . 1 1 89 89 ALA H H 89 8.424 8.424 8.241 0.183 18728 13690 1 14 . 1 1 90 90 VAL N N 90 115.835 115.835 124.769 -8.934 18728 13691 1 14 . 1 1 90 90 VAL HA H 90 4.182 4.182 3.989 0.193 18728 13692 1 14 . 1 1 90 90 VAL C C 90 175.397 175.397 176.025 -0.628 18728 13693 1 14 . 1 1 90 90 VAL CA C 90 61.516 61.516 62.116 -0.600 18728 13694 1 14 . 1 1 90 90 VAL CB C 90 33.448 33.448 33.395 0.053 18728 13695 1 14 . 1 1 90 90 VAL H H 90 7.892 7.892 7.537 0.355 18728 13696 1 14 . 1 1 91 91 SER N N 91 119.224 119.224 120.774 -1.550 18728 13697 1 14 . 1 1 91 91 SER HA H 91 4.420 4.420 4.299 0.121 18728 13698 1 14 . 1 1 91 91 SER CA C 91 57.888 57.888 59.720 -1.832 18728 13699 1 14 . 1 1 91 91 SER CB C 91 63.788 63.788 63.670 0.118 18728 13700 1 14 . 1 1 91 91 SER H H 91 8.327 8.327 8.632 -0.305 18728 13701 1 14 . 1 1 92 92 ARG HA H 92 4.231 4.231 4.027 0.204 18728 13702 1 14 . 1 1 92 92 ARG C C 92 176.651 176.651 178.326 -1.675 18728 13703 1 14 . 1 1 92 92 ARG CA C 92 56.671 56.671 58.797 -2.126 18728 13704 1 14 . 1 1 92 92 ARG CB C 92 30.776 30.776 29.849 0.927 18728 13705 1 14 . 1 1 92 92 ARG H H 92 8.425 8.425 8.910 -0.485 18728 13706 1 14 . 1 1 93 93 GLU N N 93 121.483 121.483 117.958 3.525 18728 13707 1 14 . 1 1 93 93 GLU HA H 93 4.181 4.181 4.046 0.135 18728 13708 1 14 . 1 1 93 93 GLU C C 93 176.605 176.605 177.675 -1.070 18728 13709 1 14 . 1 1 93 93 GLU CA C 93 57.185 57.185 58.952 -1.767 18728 13710 1 14 . 1 1 93 93 GLU CB C 93 30.015 30.015 28.902 1.113 18728 13711 1 14 . 1 1 93 93 GLU H H 93 8.503 8.503 8.539 -0.036 18728 13712 1 14 . 1 1 94 94 ASP N N 94 121.305 121.305 119.226 2.079 18728 13713 1 14 . 1 1 94 94 ASP HA H 94 4.540 4.540 4.508 0.032 18728 13714 1 14 . 1 1 94 94 ASP C C 94 176.744 176.744 178.823 -2.079 18728 13715 1 14 . 1 1 94 94 ASP CA C 94 54.678 54.678 56.245 -1.567 18728 13716 1 14 . 1 1 94 94 ASP CB C 94 41.183 41.183 41.238 -0.055 18728 13717 1 14 . 1 1 94 94 ASP H H 94 8.229 8.229 7.791 0.438 18728 13718 1 14 . 1 1 95 95 SER N N 95 115.787 115.787 115.756 0.031 18728 13719 1 14 . 1 1 95 95 SER HA H 95 4.286 4.286 3.939 0.347 18728 13720 1 14 . 1 1 95 95 SER C C 95 174.602 174.602 175.904 -1.302 18728 13721 1 14 . 1 1 95 95 SER CA C 95 58.957 58.957 60.590 -1.633 18728 13722 1 14 . 1 1 95 95 SER CB C 95 64.524 64.524 63.223 1.301 18728 13723 1 14 . 1 1 95 95 SER H H 95 8.109 8.109 7.792 0.317 18728 13724 1 14 . 1 1 96 96 GLN N N 96 120.796 120.796 119.162 1.634 18728 13725 1 14 . 1 1 96 96 GLN HA H 96 4.297 4.297 4.135 0.162 18728 13726 1 14 . 1 1 96 96 GLN C C 96 175.742 175.742 176.145 -0.403 18728 13727 1 14 . 1 1 96 96 GLN CA C 96 55.721 55.721 57.038 -1.317 18728 13728 1 14 . 1 1 96 96 GLN CB C 96 29.313 29.313 29.213 0.100 18728 13729 1 14 . 1 1 96 96 GLN H H 96 8.161 8.161 7.472 0.689 18728 13730 1 14 . 1 1 97 97 ARG N N 97 122.462 122.462 120.121 2.341 18728 13731 1 14 . 1 1 97 97 ARG HA H 97 4.552 4.552 4.678 -0.126 18728 13732 1 14 . 1 1 97 97 ARG CA C 97 54.096 54.096 52.383 1.713 18728 13733 1 14 . 1 1 97 97 ARG CB C 97 30.115 30.115 28.800 1.315 18728 13734 1 14 . 1 1 97 97 ARG H H 97 8.029 8.029 7.782 0.247 18728 13735 1 14 . 1 1 98 98 PRO HA H 98 4.362 4.362 4.369 -0.007 18728 13736 1 14 . 1 1 98 98 PRO C C 98 177.715 177.715 177.823 -0.108 18728 13737 1 14 . 1 1 98 98 PRO CA C 98 63.592 63.592 63.597 -0.005 18728 13738 1 14 . 1 1 98 98 PRO CB C 98 31.955 31.955 31.395 0.560 18728 13739 1 14 . 1 1 99 99 GLY N N 99 109.572 109.572 113.444 -3.872 18728 13740 1 14 . 1 1 99 99 GLY C C 99 174.356 174.356 174.850 -0.494 18728 13741 1 14 . 1 1 99 99 GLY CA C 99 45.395 45.395 44.810 0.585 18728 13742 1 14 . 1 1 99 99 GLY H H 99 8.516 8.516 8.733 -0.217 18728 13743 1 14 . 1 1 100 100 ALA N N 100 123.418 123.418 123.956 -0.538 18728 13744 1 14 . 1 1 100 100 ALA HA H 100 4.141 4.141 4.061 0.080 18728 13745 1 14 . 1 1 100 100 ALA CA C 100 53.160 53.160 53.622 -0.462 18728 13746 1 14 . 1 1 100 100 ALA CB C 100 19.185 19.185 19.498 -0.314 18728 13747 1 14 . 1 1 100 100 ALA H H 100 8.015 8.015 7.421 0.594 18728 13748 1 14 . 1 1 101 101 HIS HA H 101 4.502 4.502 4.431 0.071 18728 13749 1 14 . 1 1 101 101 HIS C C 101 175.102 175.102 174.323 0.779 18728 13750 1 14 . 1 1 101 101 HIS CA C 101 56.309 56.309 54.269 2.040 18728 13751 1 14 . 1 1 101 101 HIS CB C 101 30.450 30.450 29.000 1.450 18728 13752 1 14 . 1 1 102 102 LEU N N 102 122.495 122.495 120.288 2.207 18728 13753 1 14 . 1 1 102 102 LEU HA H 102 4.263 4.263 4.446 -0.183 18728 13754 1 14 . 1 1 102 102 LEU C C 102 177.020 177.020 177.090 -0.070 18728 13755 1 14 . 1 1 102 102 LEU CA C 102 54.934 54.934 53.892 1.042 18728 13756 1 14 . 1 1 102 102 LEU CB C 102 42.414 42.414 42.472 -0.058 18728 13757 1 14 . 1 1 102 102 LEU H H 102 7.774 7.774 7.240 0.534 18728 13758 1 14 . 1 1 103 103 THR N N 103 115.720 115.720 117.413 -1.693 18728 13759 1 14 . 1 1 103 103 THR HA H 103 4.220 4.220 4.016 0.204 18728 13760 1 14 . 1 1 103 103 THR C C 103 174.185 174.185 173.892 0.293 18728 13761 1 14 . 1 1 103 103 THR CA C 103 60.917 60.917 63.061 -2.144 18728 13762 1 14 . 1 1 103 103 THR CB C 103 69.340 69.340 68.221 1.119 18728 13763 1 14 . 1 1 103 103 THR H H 103 8.001 8.001 8.270 -0.269 18728 13764 1 14 . 1 1 104 104 VAL N N 104 122.004 122.004 126.797 -4.793 18728 13765 1 14 . 1 1 104 104 VAL HA H 104 4.330 4.330 4.303 0.027 18728 13766 1 14 . 1 1 104 104 VAL C C 104 175.294 175.294 175.208 0.086 18728 13767 1 14 . 1 1 104 104 VAL CA C 104 61.877 61.877 61.309 0.568 18728 13768 1 14 . 1 1 104 104 VAL CB C 104 34.220 34.220 33.118 1.102 18728 13769 1 14 . 1 1 104 104 VAL H H 104 8.191 8.191 7.962 0.229 18728 13770 1 14 . 1 1 105 105 LYS N N 105 121.406 121.406 125.096 -3.690 18728 13771 1 14 . 1 1 105 105 LYS HA H 105 4.498 4.498 4.527 -0.029 18728 13772 1 14 . 1 1 105 105 LYS C C 105 173.482 173.482 175.639 -2.157 18728 13773 1 14 . 1 1 105 105 LYS CA C 105 56.433 56.433 55.909 0.524 18728 13774 1 14 . 1 1 105 105 LYS CB C 105 33.245 33.245 33.169 0.076 18728 13775 1 14 . 1 1 105 105 LYS H H 105 8.672 8.672 8.705 -0.033 18728 13776 1 14 . 1 1 106 106 LYS N N 106 121.756 121.756 119.518 2.238 18728 13777 1 14 . 1 1 106 106 LYS HA H 106 5.623 5.623 5.260 0.363 18728 13778 1 14 . 1 1 106 106 LYS C C 106 175.153 175.153 175.189 -0.036 18728 13779 1 14 . 1 1 106 106 LYS CA C 106 54.537 54.537 54.846 -0.309 18728 13780 1 14 . 1 1 106 106 LYS CB C 106 37.407 37.407 36.024 1.383 18728 13781 1 14 . 1 1 106 106 LYS H H 106 7.134 7.134 7.768 -0.634 18728 13782 1 14 . 1 1 107 107 ILE N N 107 115.982 115.982 118.557 -2.575 18728 13783 1 14 . 1 1 107 107 ILE HA H 107 5.110 5.110 5.148 -0.038 18728 13784 1 14 . 1 1 107 107 ILE C C 107 174.525 174.525 173.821 0.704 18728 13785 1 14 . 1 1 107 107 ILE CA C 107 59.009 59.009 59.269 -0.260 18728 13786 1 14 . 1 1 107 107 ILE CB C 107 40.552 40.552 41.621 -1.069 18728 13787 1 14 . 1 1 107 107 ILE H H 107 8.948 8.948 8.438 0.510 18728 13788 1 14 . 1 1 108 108 PHE N N 108 124.182 124.182 123.914 0.268 18728 13789 1 14 . 1 1 108 108 PHE HA H 108 4.696 4.696 4.703 -0.007 18728 13790 1 14 . 1 1 108 108 PHE C C 108 173.422 173.422 173.449 -0.027 18728 13791 1 14 . 1 1 108 108 PHE CA C 108 56.567 56.567 56.064 0.503 18728 13792 1 14 . 1 1 108 108 PHE CB C 108 41.596 41.596 41.708 -0.112 18728 13793 1 14 . 1 1 108 108 PHE H H 108 9.103 9.103 8.878 0.225 18728 13794 1 14 . 1 1 109 109 VAL N N 109 126.956 126.956 125.799 1.157 18728 13795 1 14 . 1 1 109 109 VAL HA H 109 4.497 4.497 4.725 -0.228 18728 13796 1 14 . 1 1 109 109 VAL C C 109 174.097 174.097 174.007 0.090 18728 13797 1 14 . 1 1 109 109 VAL CA C 109 60.493 60.493 60.236 0.257 18728 13798 1 14 . 1 1 109 109 VAL CB C 109 33.266 33.266 33.256 0.010 18728 13799 1 14 . 1 1 109 109 VAL H H 109 8.338 8.338 8.166 0.172 18728 13800 1 14 . 1 1 110 110 GLY N N 110 113.617 113.617 113.056 0.561 18728 13801 1 14 . 1 1 110 110 GLY C C 110 174.325 174.325 173.337 0.988 18728 13802 1 14 . 1 1 110 110 GLY CA C 110 44.011 44.011 43.297 0.714 18728 13803 1 14 . 1 1 110 110 GLY H H 110 9.173 9.173 8.668 0.505 18728 13804 1 14 . 1 1 111 111 GLY N N 111 106.411 106.411 108.374 -1.963 18728 13805 1 14 . 1 1 111 111 GLY CA C 111 46.359 46.359 45.338 1.021 18728 13806 1 14 . 1 1 111 111 GLY H H 111 8.221 8.221 8.467 -0.246 18728 13807 1 14 . 1 1 116 116 THR HA H 116 4.322 4.322 4.827 -0.505 18728 13808 1 14 . 1 1 116 116 THR C C 116 173.380 173.380 173.140 0.240 18728 13809 1 14 . 1 1 116 116 THR CA C 116 63.000 63.000 61.114 1.886 18728 13810 1 14 . 1 1 117 117 GLU N N 117 130.298 130.298 125.456 4.842 18728 13811 1 14 . 1 1 117 117 GLU HA H 117 4.632 4.632 4.648 -0.016 18728 13812 1 14 . 1 1 117 117 GLU C C 117 177.632 177.632 176.173 1.459 18728 13813 1 14 . 1 1 117 117 GLU CA C 117 53.853 53.853 54.270 -0.417 18728 13814 1 14 . 1 1 117 117 GLU CB C 117 32.977 32.977 31.558 1.419 18728 13815 1 14 . 1 1 117 117 GLU H H 117 11.190 11.190 8.433 2.757 18728 13816 1 14 . 1 1 118 118 GLU N N 118 122.126 122.126 120.686 1.440 18728 13817 1 14 . 1 1 118 118 GLU HA H 118 3.627 3.627 3.996 -0.369 18728 13818 1 14 . 1 1 118 118 GLU C C 118 179.294 179.294 178.146 1.148 18728 13819 1 14 . 1 1 118 118 GLU CA C 118 61.689 61.689 60.262 1.427 18728 13820 1 14 . 1 1 118 118 GLU CB C 118 29.075 29.075 29.528 -0.453 18728 13821 1 14 . 1 1 118 118 GLU H H 118 9.339 9.339 8.933 0.406 18728 13822 1 14 . 1 1 119 119 HIS N N 119 113.514 113.514 116.455 -2.941 18728 13823 1 14 . 1 1 119 119 HIS HA H 119 4.265 4.265 4.318 -0.053 18728 13824 1 14 . 1 1 119 119 HIS C C 119 176.566 176.566 178.453 -1.887 18728 13825 1 14 . 1 1 119 119 HIS CA C 119 58.917 58.917 59.724 -0.807 18728 13826 1 14 . 1 1 119 119 HIS CB C 119 28.187 28.187 29.246 -1.059 18728 13827 1 14 . 1 1 119 119 HIS H H 119 8.240 8.240 8.724 -0.484 18728 13828 1 14 . 1 1 120 120 HIS N N 120 118.629 118.629 118.432 0.197 18728 13829 1 14 . 1 1 120 120 HIS HA H 120 4.332 4.332 4.323 0.009 18728 13830 1 14 . 1 1 120 120 HIS C C 120 179.713 179.713 177.630 2.083 18728 13831 1 14 . 1 1 120 120 HIS CA C 120 60.310 60.310 58.544 1.766 18728 13832 1 14 . 1 1 120 120 HIS CB C 120 32.233 32.233 30.169 2.064 18728 13833 1 14 . 1 1 120 120 HIS H H 120 6.474 6.474 7.539 -1.065 18728 13834 1 14 . 1 1 121 121 LEU N N 121 117.249 117.249 116.734 0.515 18728 13835 1 14 . 1 1 121 121 LEU HA H 121 4.179 4.179 4.472 -0.293 18728 13836 1 14 . 1 1 121 121 LEU C C 121 178.020 178.020 178.594 -0.574 18728 13837 1 14 . 1 1 121 121 LEU CA C 121 57.924 57.924 57.338 0.586 18728 13838 1 14 . 1 1 121 121 LEU CB C 121 42.577 42.577 42.167 0.410 18728 13839 1 14 . 1 1 121 121 LEU H H 121 7.132 7.132 7.736 -0.604 18728 13840 1 14 . 1 1 122 122 ARG N N 122 121.766 121.766 121.619 0.147 18728 13841 1 14 . 1 1 122 122 ARG HA H 122 3.741 3.741 4.020 -0.279 18728 13842 1 14 . 1 1 122 122 ARG C C 122 177.023 177.023 177.963 -0.940 18728 13843 1 14 . 1 1 122 122 ARG CA C 122 60.508 60.508 60.094 0.414 18728 13844 1 14 . 1 1 122 122 ARG CB C 122 30.256 30.256 29.747 0.509 18728 13845 1 14 . 1 1 122 122 ARG H H 122 8.759 8.759 8.933 -0.174 18728 13846 1 14 . 1 1 123 123 ASP N N 123 116.299 116.299 117.759 -1.460 18728 13847 1 14 . 1 1 123 123 ASP HA H 123 4.294 4.294 4.440 -0.146 18728 13848 1 14 . 1 1 123 123 ASP C C 123 178.057 178.057 178.342 -0.285 18728 13849 1 14 . 1 1 123 123 ASP CA C 123 57.076 57.076 57.192 -0.116 18728 13850 1 14 . 1 1 123 123 ASP CB C 123 40.572 40.572 40.897 -0.325 18728 13851 1 14 . 1 1 123 123 ASP H H 123 8.423 8.423 7.894 0.529 18728 13852 1 14 . 1 1 124 124 TYR N N 124 115.172 115.172 119.862 -4.690 18728 13853 1 14 . 1 1 124 124 TYR HA H 124 4.338 4.338 4.271 0.067 18728 13854 1 14 . 1 1 124 124 TYR C C 124 177.688 177.688 177.780 -0.092 18728 13855 1 14 . 1 1 124 124 TYR CA C 124 61.660 61.660 61.211 0.449 18728 13856 1 14 . 1 1 124 124 TYR CB C 124 39.847 39.847 38.938 0.909 18728 13857 1 14 . 1 1 124 124 TYR H H 124 7.212 7.212 7.518 -0.306 18728 13858 1 14 . 1 1 125 125 PHE N N 125 113.932 113.932 118.004 -4.072 18728 13859 1 14 . 1 1 125 125 PHE HA H 125 4.515 4.515 4.363 0.152 18728 13860 1 14 . 1 1 125 125 PHE C C 125 178.209 178.209 178.328 -0.119 18728 13861 1 14 . 1 1 125 125 PHE CA C 125 63.404 63.404 61.303 2.101 18728 13862 1 14 . 1 1 125 125 PHE CB C 125 38.614 38.614 38.550 0.064 18728 13863 1 14 . 1 1 125 125 PHE H H 125 8.802 8.802 8.949 -0.147 18728 13864 1 14 . 1 1 126 126 GLU N N 126 120.515 120.515 119.288 1.227 18728 13865 1 14 . 1 1 126 126 GLU HA H 126 4.884 4.884 4.388 0.496 18728 13866 1 14 . 1 1 126 126 GLU C C 126 177.936 177.936 177.433 0.503 18728 13867 1 14 . 1 1 126 126 GLU CA C 126 58.560 58.560 58.578 -0.018 18728 13868 1 14 . 1 1 126 126 GLU CB C 126 28.516 28.516 29.003 -0.487 18728 13869 1 14 . 1 1 126 126 GLU H H 126 8.869 8.869 8.366 0.503 18728 13870 1 14 . 1 1 127 127 GLN N N 127 115.855 115.855 116.085 -0.230 18728 13871 1 14 . 1 1 127 127 GLN HA H 127 4.055 4.055 4.031 0.024 18728 13872 1 14 . 1 1 127 127 GLN C C 127 176.656 176.656 178.207 -1.551 18728 13873 1 14 . 1 1 127 127 GLN CA C 127 57.566 57.566 57.645 -0.079 18728 13874 1 14 . 1 1 127 127 GLN CB C 127 29.047 29.047 28.810 0.237 18728 13875 1 14 . 1 1 127 127 GLN H H 127 7.105 7.105 7.606 -0.501 18728 13876 1 14 . 1 1 128 128 TYR N N 128 116.626 116.626 117.705 -1.079 18728 13877 1 14 . 1 1 128 128 TYR HA H 128 4.328 4.328 4.376 -0.048 18728 13878 1 14 . 1 1 128 128 TYR C C 128 175.596 175.596 175.353 0.243 18728 13879 1 14 . 1 1 128 128 TYR CA C 128 59.492 59.492 59.602 -0.110 18728 13880 1 14 . 1 1 128 128 TYR CB C 128 39.539 39.539 39.903 -0.364 18728 13881 1 14 . 1 1 128 128 TYR H H 128 7.950 7.950 7.918 0.032 18728 13882 1 14 . 1 1 129 129 GLY N N 129 107.386 107.386 102.801 4.585 18728 13883 1 14 . 1 1 129 129 GLY C C 129 170.407 170.407 171.979 -1.572 18728 13884 1 14 . 1 1 129 129 GLY CA C 129 44.819 44.819 45.181 -0.362 18728 13885 1 14 . 1 1 129 129 GLY H H 129 7.492 7.492 7.589 -0.097 18728 13886 1 14 . 1 1 130 130 LYS N N 130 117.786 117.786 121.595 -3.809 18728 13887 1 14 . 1 1 130 130 LYS HA H 130 4.315 4.315 4.563 -0.248 18728 13888 1 14 . 1 1 130 130 LYS C C 130 177.097 177.097 175.865 1.232 18728 13889 1 14 . 1 1 130 130 LYS CA C 130 56.938 56.938 56.533 0.405 18728 13890 1 14 . 1 1 130 130 LYS CB C 130 33.199 33.199 33.291 -0.092 18728 13891 1 14 . 1 1 130 130 LYS H H 130 8.135 8.135 8.607 -0.472 18728 13892 1 14 . 1 1 131 131 ILE N N 131 127.829 127.829 127.216 0.613 18728 13893 1 14 . 1 1 131 131 ILE HA H 131 3.681 3.681 3.903 -0.222 18728 13894 1 14 . 1 1 131 131 ILE C C 131 175.841 175.841 176.082 -0.241 18728 13895 1 14 . 1 1 131 131 ILE CA C 131 61.625 61.625 60.672 0.953 18728 13896 1 14 . 1 1 131 131 ILE CB C 131 40.441 40.441 39.196 1.246 18728 13897 1 14 . 1 1 131 131 ILE H H 131 8.917 8.917 9.227 -0.310 18728 13898 1 14 . 1 1 132 132 GLU N N 132 128.437 128.437 128.022 0.415 18728 13899 1 14 . 1 1 132 132 GLU HA H 132 4.320 4.320 4.296 0.024 18728 13900 1 14 . 1 1 132 132 GLU C C 132 176.192 176.192 175.661 0.531 18728 13901 1 14 . 1 1 132 132 GLU CA C 132 57.816 57.816 58.034 -0.218 18728 13902 1 14 . 1 1 132 132 GLU CB C 132 31.670 31.670 31.170 0.500 18728 13903 1 14 . 1 1 132 132 GLU H H 132 9.136 9.136 8.678 0.458 18728 13904 1 14 . 1 1 133 133 VAL N N 133 115.096 115.096 117.305 -2.209 18728 13905 1 14 . 1 1 133 133 VAL HA H 133 4.316 4.316 4.292 0.024 18728 13906 1 14 . 1 1 133 133 VAL C C 133 172.860 172.860 173.668 -0.808 18728 13907 1 14 . 1 1 133 133 VAL CA C 133 61.258 61.258 60.980 0.278 18728 13908 1 14 . 1 1 133 133 VAL CB C 133 35.526 35.526 35.515 0.011 18728 13909 1 14 . 1 1 133 133 VAL H H 133 7.272 7.272 7.437 -0.165 18728 13910 1 14 . 1 1 134 134 ILE N N 134 126.870 126.870 125.458 1.412 18728 13911 1 14 . 1 1 134 134 ILE HA H 134 4.464 4.464 4.347 0.117 18728 13912 1 14 . 1 1 134 134 ILE C C 134 174.004 174.004 174.821 -0.817 18728 13913 1 14 . 1 1 134 134 ILE CA C 134 60.904 60.904 60.359 0.545 18728 13914 1 14 . 1 1 134 134 ILE CB C 134 40.408 40.408 39.459 0.949 18728 13915 1 14 . 1 1 134 134 ILE H H 134 8.566 8.566 8.533 0.033 18728 13916 1 14 . 1 1 135 135 GLU N N 135 128.037 128.037 128.681 -0.644 18728 13917 1 14 . 1 1 135 135 GLU HA H 135 4.642 4.642 4.615 0.027 18728 13918 1 14 . 1 1 135 135 GLU C C 135 174.883 174.883 175.317 -0.434 18728 13919 1 14 . 1 1 135 135 GLU CA C 135 54.640 54.640 55.332 -0.692 18728 13920 1 14 . 1 1 135 135 GLU CB C 135 33.259 33.259 30.526 2.733 18728 13921 1 14 . 1 1 135 135 GLU H H 135 9.019 9.019 8.621 0.398 18728 13922 1 14 . 1 1 136 136 ILE N N 136 126.668 126.668 126.036 0.632 18728 13923 1 14 . 1 1 136 136 ILE HA H 136 3.898 3.898 4.364 -0.466 18728 13924 1 14 . 1 1 136 136 ILE C C 136 176.157 176.157 175.428 0.729 18728 13925 1 14 . 1 1 136 136 ILE CA C 136 61.336 61.336 59.577 1.759 18728 13926 1 14 . 1 1 136 136 ILE CB C 136 37.397 37.397 37.720 -0.323 18728 13927 1 14 . 1 1 136 136 ILE H H 136 8.967 8.967 8.514 0.453 18728 13928 1 14 . 1 1 137 137 MET N N 137 126.115 126.115 128.501 -2.386 18728 13929 1 14 . 1 1 137 137 MET HA H 137 4.679 4.679 4.786 -0.107 18728 13930 1 14 . 1 1 137 137 MET C C 137 176.723 176.723 175.160 1.563 18728 13931 1 14 . 1 1 137 137 MET CA C 137 55.163 55.163 53.767 1.396 18728 13932 1 14 . 1 1 137 137 MET CB C 137 30.841 30.841 31.324 -0.483 18728 13933 1 14 . 1 1 137 137 MET H H 137 7.656 7.656 8.711 -1.055 18728 13934 1 14 . 1 1 138 138 THR N N 138 116.735 116.735 119.264 -2.529 18728 13935 1 14 . 1 1 138 138 THR HA H 138 4.746 4.746 4.740 0.006 18728 13936 1 14 . 1 1 138 138 THR C C 138 173.642 173.642 173.577 0.065 18728 13937 1 14 . 1 1 138 138 THR CA C 138 60.385 60.385 60.855 -0.470 18728 13938 1 14 . 1 1 138 138 THR CB C 138 72.028 72.028 71.906 0.122 18728 13939 1 14 . 1 1 138 138 THR H H 138 8.551 8.551 8.626 -0.075 18728 13940 1 14 . 1 1 139 139 ASP N N 139 123.899 123.899 122.113 1.786 18728 13941 1 14 . 1 1 139 139 ASP HA H 139 4.677 4.677 4.806 -0.129 18728 13942 1 14 . 1 1 139 139 ASP CA C 139 53.728 53.728 52.948 0.780 18728 13943 1 14 . 1 1 139 139 ASP CB C 139 42.270 42.270 42.652 -0.382 18728 13944 1 14 . 1 1 139 139 ASP H H 139 8.818 8.818 8.778 0.040 18728 13945 1 14 . 1 1 140 140 ARG HA H 140 4.037 4.037 4.261 -0.224 18728 13946 1 14 . 1 1 140 140 ARG C C 140 177.886 177.886 177.276 0.610 18728 13947 1 14 . 1 1 140 140 ARG CB C 140 29.886 29.886 30.529 -0.642 18728 13948 1 14 . 1 1 141 141 GLY N N 141 107.951 107.951 107.891 0.060 18728 13949 1 14 . 1 1 141 141 GLY C C 141 174.861 174.861 175.866 -1.005 18728 13950 1 14 . 1 1 141 141 GLY CA C 141 46.490 46.490 46.202 0.288 18728 13951 1 14 . 1 1 141 141 GLY H H 141 8.635 8.635 7.985 0.650 18728 13952 1 14 . 1 1 142 142 SER N N 142 114.044 114.044 114.728 -0.684 18728 13953 1 14 . 1 1 142 142 SER HA H 142 4.533 4.533 4.612 -0.079 18728 13954 1 14 . 1 1 142 142 SER C C 142 176.080 176.080 174.256 1.824 18728 13955 1 14 . 1 1 142 142 SER CA C 142 58.429 58.429 58.105 0.324 18728 13956 1 14 . 1 1 142 142 SER CB C 142 65.439 65.439 64.875 0.564 18728 13957 1 14 . 1 1 142 142 SER H H 142 8.034 8.034 8.950 -0.916 18728 13958 1 14 . 1 1 143 143 GLY N N 143 112.348 112.348 108.533 3.815 18728 13959 1 14 . 1 1 143 143 GLY C C 143 173.949 173.949 173.684 0.265 18728 13960 1 14 . 1 1 143 143 GLY CA C 143 45.703 45.703 45.507 0.196 18728 13961 1 14 . 1 1 143 143 GLY H H 143 8.363 8.363 7.695 0.668 18728 13962 1 14 . 1 1 144 144 LYS N N 144 119.966 119.966 118.904 1.062 18728 13963 1 14 . 1 1 144 144 LYS HA H 144 4.273 4.273 4.506 -0.233 18728 13964 1 14 . 1 1 144 144 LYS C C 144 176.969 176.969 176.240 0.729 18728 13965 1 14 . 1 1 144 144 LYS CA C 144 56.145 56.145 54.236 1.909 18728 13966 1 14 . 1 1 144 144 LYS CB C 144 33.378 33.378 33.625 -0.247 18728 13967 1 14 . 1 1 144 144 LYS H H 144 7.786 7.786 7.825 -0.039 18728 13968 1 14 . 1 1 145 145 LYS N N 145 123.668 123.668 121.291 2.377 18728 13969 1 14 . 1 1 145 145 LYS HA H 145 4.187 4.187 4.121 0.066 18728 13970 1 14 . 1 1 145 145 LYS C C 145 177.498 177.498 177.703 -0.205 18728 13971 1 14 . 1 1 145 145 LYS CA C 145 57.392 57.392 56.675 0.717 18728 13972 1 14 . 1 1 145 145 LYS CB C 145 32.577 32.577 32.206 0.371 18728 13973 1 14 . 1 1 145 145 LYS H H 145 8.968 8.968 8.558 0.410 18728 13974 1 14 . 1 1 146 146 ARG N N 146 119.700 119.700 122.234 -2.534 18728 13975 1 14 . 1 1 146 146 ARG HA H 146 4.294 4.294 4.131 0.163 18728 13976 1 14 . 1 1 146 146 ARG CA C 146 56.365 56.365 55.883 0.482 18728 13977 1 14 . 1 1 146 146 ARG CB C 146 30.786 30.786 29.550 1.236 18728 13978 1 14 . 1 1 146 146 ARG H H 146 8.095 8.095 8.494 -0.399 18728 13979 1 14 . 1 1 147 147 GLY N N 147 110.572 110.572 106.207 4.365 18728 13980 1 14 . 1 1 147 147 GLY C C 147 173.384 173.384 173.023 0.361 18728 13981 1 14 . 1 1 147 147 GLY CA C 147 45.440 45.440 45.317 0.123 18728 13982 1 14 . 1 1 147 147 GLY H H 147 8.401 8.401 8.577 -0.176 18728 13983 1 14 . 1 1 148 148 PHE N N 148 114.199 114.199 113.910 0.289 18728 13984 1 14 . 1 1 148 148 PHE HA H 148 5.194 5.194 5.374 -0.180 18728 13985 1 14 . 1 1 148 148 PHE C C 148 172.409 172.409 172.754 -0.345 18728 13986 1 14 . 1 1 148 148 PHE CA C 148 55.282 55.282 55.004 0.278 18728 13987 1 14 . 1 1 148 148 PHE CB C 148 41.869 41.869 41.120 0.749 18728 13988 1 14 . 1 1 148 148 PHE H H 148 7.255 7.255 6.965 0.290 18728 13989 1 14 . 1 1 149 149 ALA N N 149 121.427 121.427 120.398 1.029 18728 13990 1 14 . 1 1 149 149 ALA HA H 149 4.966 4.966 4.812 0.154 18728 13991 1 14 . 1 1 149 149 ALA C C 149 174.084 174.084 174.481 -0.397 18728 13992 1 14 . 1 1 149 149 ALA CA C 149 49.755 49.755 50.648 -0.893 18728 13993 1 14 . 1 1 149 149 ALA CB C 149 25.094 25.094 22.605 2.489 18728 13994 1 14 . 1 1 149 149 ALA H H 149 8.786 8.786 8.851 -0.065 18728 13995 1 14 . 1 1 150 150 PHE N N 150 114.425 114.425 115.730 -1.305 18728 13996 1 14 . 1 1 150 150 PHE HA H 150 5.874 5.874 5.412 0.462 18728 13997 1 14 . 1 1 150 150 PHE C C 150 176.196 176.196 174.233 1.963 18728 13998 1 14 . 1 1 150 150 PHE CA C 150 56.070 56.070 57.240 -1.170 18728 13999 1 14 . 1 1 150 150 PHE CB C 150 43.251 43.251 44.437 -1.186 18728 14000 1 14 . 1 1 150 150 PHE H H 150 8.689 8.689 9.108 -0.419 18728 14001 1 14 . 1 1 151 151 VAL N N 151 122.489 122.489 121.045 1.444 18728 14002 1 14 . 1 1 151 151 VAL HA H 151 4.375 4.375 4.559 -0.184 18728 14003 1 14 . 1 1 151 151 VAL C C 151 173.932 173.932 173.702 0.230 18728 14004 1 14 . 1 1 151 151 VAL CA C 151 61.454 61.454 60.756 0.698 18728 14005 1 14 . 1 1 151 151 VAL CB C 151 33.869 33.869 35.488 -1.619 18728 14006 1 14 . 1 1 151 151 VAL H H 151 8.559 8.559 8.624 -0.065 18728 14007 1 14 . 1 1 152 152 THR N N 152 123.112 123.112 125.412 -2.300 18728 14008 1 14 . 1 1 152 152 THR HA H 152 4.995 4.995 4.761 0.234 18728 14009 1 14 . 1 1 152 152 THR C C 152 174.047 174.047 173.613 0.434 18728 14010 1 14 . 1 1 152 152 THR CA C 152 61.931 61.931 62.352 -0.421 18728 14011 1 14 . 1 1 152 152 THR CB C 152 69.689 69.689 69.794 -0.105 18728 14012 1 14 . 1 1 152 152 THR H H 152 8.723 8.723 8.855 -0.132 18728 14013 1 14 . 1 1 153 153 PHE N N 153 127.746 127.746 126.795 0.951 18728 14014 1 14 . 1 1 153 153 PHE HA H 153 4.840 4.840 4.636 0.204 18728 14015 1 14 . 1 1 153 153 PHE C C 153 174.720 174.720 174.946 -0.226 18728 14016 1 14 . 1 1 153 153 PHE CA C 153 58.098 58.098 58.442 -0.344 18728 14017 1 14 . 1 1 153 153 PHE CB C 153 41.706 41.706 41.343 0.363 18728 14018 1 14 . 1 1 153 153 PHE H H 153 9.368 9.368 9.249 0.119 18728 14019 1 14 . 1 1 154 154 ASP N N 154 118.371 118.371 120.242 -1.871 18728 14020 1 14 . 1 1 154 154 ASP HA H 154 4.486 4.486 4.558 -0.072 18728 14021 1 14 . 1 1 154 154 ASP C C 154 175.668 175.668 175.508 0.160 18728 14022 1 14 . 1 1 154 154 ASP CA C 154 56.114 56.114 56.279 -0.165 18728 14023 1 14 . 1 1 154 154 ASP CB C 154 42.576 42.576 42.491 0.085 18728 14024 1 14 . 1 1 154 154 ASP H H 154 8.196 8.196 8.933 -0.737 18728 14025 1 14 . 1 1 155 155 ASP N N 155 117.144 117.144 117.441 -0.297 18728 14026 1 14 . 1 1 155 155 ASP HA H 155 4.909 4.909 4.883 0.026 18728 14027 1 14 . 1 1 155 155 ASP C C 155 176.392 176.392 176.019 0.373 18728 14028 1 14 . 1 1 155 155 ASP CA C 155 52.615 52.615 52.714 -0.098 18728 14029 1 14 . 1 1 155 155 ASP CB C 155 44.471 44.471 44.314 0.157 18728 14030 1 14 . 1 1 155 155 ASP H H 155 8.323 8.323 7.771 0.552 18728 14031 1 14 . 1 1 156 156 HIS N N 156 121.508 121.508 120.125 1.383 18728 14032 1 14 . 1 1 156 156 HIS HA H 156 4.336 4.336 4.660 -0.324 18728 14033 1 14 . 1 1 156 156 HIS C C 156 176.855 176.855 176.301 0.554 18728 14034 1 14 . 1 1 156 156 HIS CA C 156 58.593 58.593 57.160 1.433 18728 14035 1 14 . 1 1 156 156 HIS CB C 156 29.703 29.703 29.856 -0.153 18728 14036 1 14 . 1 1 156 156 HIS H H 156 8.492 8.492 8.333 0.159 18728 14037 1 14 . 1 1 157 157 ASP N N 157 122.539 122.539 120.624 1.915 18728 14038 1 14 . 1 1 157 157 ASP HA H 157 4.254 4.254 4.322 -0.068 18728 14039 1 14 . 1 1 157 157 ASP C C 157 178.233 178.233 177.995 0.238 18728 14040 1 14 . 1 1 157 157 ASP CA C 157 57.047 57.047 57.984 -0.937 18728 14041 1 14 . 1 1 157 157 ASP CB C 157 40.875 40.875 40.499 0.376 18728 14042 1 14 . 1 1 157 157 ASP H H 157 8.345 8.345 8.239 0.106 18728 14043 1 14 . 1 1 158 158 SER N N 158 113.623 113.623 113.272 0.351 18728 14044 1 14 . 1 1 158 158 SER HA H 158 3.899 3.899 4.130 -0.231 18728 14045 1 14 . 1 1 158 158 SER C C 158 174.750 174.750 176.030 -1.280 18728 14046 1 14 . 1 1 158 158 SER CA C 158 61.914 61.914 61.770 0.144 18728 14047 1 14 . 1 1 158 158 SER CB C 158 63.088 63.088 62.886 0.202 18728 14048 1 14 . 1 1 158 158 SER H H 158 7.424 7.424 8.335 -0.911 18728 14049 1 14 . 1 1 159 159 VAL N N 159 118.448 118.448 122.688 -4.240 18728 14050 1 14 . 1 1 159 159 VAL HA H 159 2.913 2.913 3.305 -0.392 18728 14051 1 14 . 1 1 159 159 VAL C C 159 177.269 177.269 177.156 0.113 18728 14052 1 14 . 1 1 159 159 VAL CA C 159 66.512 66.512 66.084 0.428 18728 14053 1 14 . 1 1 159 159 VAL CB C 159 31.395 31.395 31.637 -0.242 18728 14054 1 14 . 1 1 159 159 VAL H H 159 6.484 6.484 7.031 -0.547 18728 14055 1 14 . 1 1 160 160 ASP N N 160 119.064 119.064 119.449 -0.385 18728 14056 1 14 . 1 1 160 160 ASP HA H 160 4.275 4.275 4.355 -0.080 18728 14057 1 14 . 1 1 160 160 ASP C C 160 178.284 178.284 178.642 -0.358 18728 14058 1 14 . 1 1 160 160 ASP CA C 160 57.798 57.798 57.347 0.451 18728 14059 1 14 . 1 1 160 160 ASP CB C 160 40.288 40.288 40.625 -0.337 18728 14060 1 14 . 1 1 160 160 ASP H H 160 7.663 7.663 8.198 -0.535 18728 14061 1 14 . 1 1 161 161 LYS N N 161 116.568 116.568 119.173 -2.605 18728 14062 1 14 . 1 1 161 161 LYS HA H 161 4.030 4.030 4.088 -0.058 18728 14063 1 14 . 1 1 161 161 LYS C C 161 178.205 178.205 178.503 -0.298 18728 14064 1 14 . 1 1 161 161 LYS CA C 161 58.796 58.796 59.395 -0.599 18728 14065 1 14 . 1 1 161 161 LYS CB C 161 33.298 33.298 32.540 0.758 18728 14066 1 14 . 1 1 161 161 LYS H H 161 7.465 7.465 7.541 -0.076 18728 14067 1 14 . 1 1 162 162 ILE N N 162 119.457 119.457 117.218 2.239 18728 14068 1 14 . 1 1 162 162 ILE HA H 162 3.241 3.241 3.653 -0.412 18728 14069 1 14 . 1 1 162 162 ILE C C 162 179.129 179.129 177.766 1.363 18728 14070 1 14 . 1 1 162 162 ILE CA C 162 65.201 65.201 64.492 0.709 18728 14071 1 14 . 1 1 162 162 ILE CB C 162 39.170 39.170 37.970 1.200 18728 14072 1 14 . 1 1 162 162 ILE H H 162 7.367 7.367 7.003 0.364 18728 14073 1 14 . 1 1 163 163 VAL N N 163 109.705 109.705 116.030 -6.325 18728 14074 1 14 . 1 1 163 163 VAL HA H 163 4.093 4.093 4.208 -0.115 18728 14075 1 14 . 1 1 163 163 VAL C C 163 176.685 176.685 176.532 0.153 18728 14076 1 14 . 1 1 163 163 VAL CA C 163 64.137 64.137 64.223 -0.086 18728 14077 1 14 . 1 1 163 163 VAL CB C 163 30.720 30.720 31.198 -0.478 18728 14078 1 14 . 1 1 163 163 VAL H H 163 7.814 7.814 7.886 -0.072 18728 14079 1 14 . 1 1 164 164 ILE N N 164 118.885 118.885 119.574 -0.689 18728 14080 1 14 . 1 1 164 164 ILE HA H 164 3.968 3.968 3.891 0.077 18728 14081 1 14 . 1 1 164 164 ILE C C 164 176.006 176.006 176.567 -0.561 18728 14082 1 14 . 1 1 164 164 ILE CA C 164 63.328 63.328 63.013 0.315 18728 14083 1 14 . 1 1 164 164 ILE CB C 164 38.136 38.136 38.366 -0.230 18728 14084 1 14 . 1 1 164 164 ILE H H 164 6.979 6.979 7.409 -0.430 18728 14085 1 14 . 1 1 165 165 GLN N N 165 120.509 120.509 116.613 3.896 18728 14086 1 14 . 1 1 165 165 GLN HA H 165 4.472 4.472 4.516 -0.044 18728 14087 1 14 . 1 1 165 165 GLN C C 165 174.808 174.808 175.274 -0.466 18728 14088 1 14 . 1 1 165 165 GLN CA C 165 54.743 54.743 54.358 0.386 18728 14089 1 14 . 1 1 165 165 GLN CB C 165 30.183 30.183 30.944 -0.761 18728 14090 1 14 . 1 1 165 165 GLN H H 165 7.490 7.490 7.717 -0.227 18728 14091 1 14 . 1 1 166 166 LYS N N 166 122.953 122.953 123.172 -0.219 18728 14092 1 14 . 1 1 166 166 LYS HA H 166 3.992 3.992 4.246 -0.254 18728 14093 1 14 . 1 1 166 166 LYS C C 166 175.496 175.496 175.580 -0.084 18728 14094 1 14 . 1 1 166 166 LYS CA C 166 59.718 59.718 58.021 1.697 18728 14095 1 14 . 1 1 166 166 LYS CB C 166 33.115 33.115 33.695 -0.580 18728 14096 1 14 . 1 1 166 166 LYS H H 166 8.085 8.085 8.721 -0.636 18728 14097 1 14 . 1 1 167 167 TYR N N 167 114.210 114.210 115.844 -1.634 18728 14098 1 14 . 1 1 167 167 TYR HA H 167 5.457 5.457 5.460 -0.003 18728 14099 1 14 . 1 1 167 167 TYR C C 167 175.593 175.593 175.612 -0.019 18728 14100 1 14 . 1 1 167 167 TYR CA C 167 56.417 56.417 57.170 -0.753 18728 14101 1 14 . 1 1 167 167 TYR CB C 167 40.057 40.057 41.574 -1.517 18728 14102 1 14 . 1 1 167 167 TYR H H 167 7.740 7.740 7.792 -0.052 18728 14103 1 14 . 1 1 168 168 HIS N N 168 122.617 122.617 122.039 0.578 18728 14104 1 14 . 1 1 168 168 HIS HA H 168 4.526 4.526 5.048 -0.522 18728 14105 1 14 . 1 1 168 168 HIS C C 168 174.213 174.213 174.375 -0.162 18728 14106 1 14 . 1 1 168 168 HIS CA C 168 55.233 55.233 55.036 0.197 18728 14107 1 14 . 1 1 168 168 HIS CB C 168 34.906 34.906 34.286 0.620 18728 14108 1 14 . 1 1 168 168 HIS H H 168 9.035 9.035 9.538 -0.503 18728 14109 1 14 . 1 1 169 169 THR N N 169 121.981 121.981 120.487 1.494 18728 14110 1 14 . 1 1 169 169 THR HA H 169 4.722 4.722 4.697 0.025 18728 14111 1 14 . 1 1 169 169 THR C C 169 172.973 172.973 173.714 -0.741 18728 14112 1 14 . 1 1 169 169 THR CA C 169 61.620 61.620 62.540 -0.920 18728 14113 1 14 . 1 1 169 169 THR CB C 169 68.692 68.692 68.693 -0.001 18728 14114 1 14 . 1 1 169 169 THR H H 169 8.784 8.784 8.545 0.239 18728 14115 1 14 . 1 1 170 170 VAL N N 170 125.540 125.540 126.097 -0.557 18728 14116 1 14 . 1 1 170 170 VAL HA H 170 3.751 3.751 3.724 0.027 18728 14117 1 14 . 1 1 170 170 VAL C C 170 175.997 175.997 175.895 0.102 18728 14118 1 14 . 1 1 170 170 VAL CA C 170 60.770 60.770 60.424 0.346 18728 14119 1 14 . 1 1 170 170 VAL CB C 170 34.216 34.216 33.478 0.737 18728 14120 1 14 . 1 1 170 170 VAL H H 170 8.268 8.268 8.792 -0.524 18728 14121 1 14 . 1 1 171 171 ASN N N 171 126.811 126.811 127.309 -0.498 18728 14122 1 14 . 1 1 171 171 ASN HA H 171 4.065 4.065 4.250 -0.185 18728 14123 1 14 . 1 1 171 171 ASN C C 171 174.266 174.266 175.539 -1.273 18728 14124 1 14 . 1 1 171 171 ASN CA C 171 53.184 53.184 53.177 0.007 18728 14125 1 14 . 1 1 171 171 ASN CB C 171 37.436 37.436 37.299 0.137 18728 14126 1 14 . 1 1 171 171 ASN H H 171 9.437 9.437 9.085 0.352 18728 14127 1 14 . 1 1 172 172 GLY N N 172 100.629 100.629 104.621 -3.992 18728 14128 1 14 . 1 1 172 172 GLY C C 172 173.335 173.335 173.878 -0.543 18728 14129 1 14 . 1 1 172 172 GLY CA C 172 45.154 45.154 45.296 -0.142 18728 14130 1 14 . 1 1 172 172 GLY H H 172 8.194 8.194 8.458 -0.264 18728 14131 1 14 . 1 1 173 173 HIS N N 173 119.555 119.555 121.032 -1.477 18728 14132 1 14 . 1 1 173 173 HIS HA H 173 4.860 4.860 4.627 0.233 18728 14133 1 14 . 1 1 173 173 HIS CA C 173 53.723 53.723 54.841 -1.118 18728 14134 1 14 . 1 1 173 173 HIS CB C 173 31.589 31.589 31.281 0.308 18728 14135 1 14 . 1 1 173 173 HIS H H 173 7.657 7.657 7.888 -0.231 18728 14136 1 14 . 1 1 174 174 ASN N N 174 122.936 122.936 126.081 -3.145 18728 14137 1 14 . 1 1 174 174 ASN HA H 174 4.794 4.794 4.821 -0.027 18728 14138 1 14 . 1 1 174 174 ASN C C 174 174.918 174.918 174.876 0.042 18728 14139 1 14 . 1 1 174 174 ASN CA C 174 53.748 53.748 52.940 0.808 18728 14140 1 14 . 1 1 174 174 ASN CB C 174 38.185 38.185 38.611 -0.426 18728 14141 1 14 . 1 1 174 174 ASN H H 174 8.828 8.828 8.420 0.408 18728 14142 1 14 . 1 1 175 175 CYS N N 175 126.425 126.425 124.813 1.612 18728 14143 1 14 . 1 1 175 175 CYS HA H 175 4.872 4.872 4.831 0.041 18728 14144 1 14 . 1 1 175 175 CYS C C 175 173.853 173.853 173.624 0.229 18728 14145 1 14 . 1 1 175 175 CYS CA C 175 59.380 59.380 56.766 2.614 18728 14146 1 14 . 1 1 175 175 CYS CB C 175 29.966 29.966 30.740 -0.774 18728 14147 1 14 . 1 1 175 175 CYS H H 175 9.078 9.078 9.032 0.046 18728 14148 1 14 . 1 1 176 176 GLU N N 176 124.488 124.488 121.280 3.208 18728 14149 1 14 . 1 1 176 176 GLU HA H 176 4.661 4.661 4.508 0.153 18728 14150 1 14 . 1 1 176 176 GLU C C 176 175.343 175.343 175.530 -0.187 18728 14151 1 14 . 1 1 176 176 GLU CA C 176 55.296 55.296 55.373 -0.077 18728 14152 1 14 . 1 1 176 176 GLU CB C 176 31.550 31.550 31.145 0.405 18728 14153 1 14 . 1 1 176 176 GLU H H 176 8.161 8.161 8.942 -0.781 18728 14154 1 14 . 1 1 177 177 VAL N N 177 122.521 122.521 119.225 3.296 18728 14155 1 14 . 1 1 177 177 VAL HA H 177 5.628 5.628 5.555 0.073 18728 14156 1 14 . 1 1 177 177 VAL C C 177 175.720 175.720 174.214 1.506 18728 14157 1 14 . 1 1 177 177 VAL CA C 177 59.713 59.713 58.883 0.830 18728 14158 1 14 . 1 1 177 177 VAL CB C 177 34.523 34.523 35.980 -1.457 18728 14159 1 14 . 1 1 177 177 VAL H H 177 8.684 8.684 8.867 -0.183 18728 14160 1 14 . 1 1 178 178 ARG N N 178 119.915 119.915 117.292 2.623 18728 14161 1 14 . 1 1 178 178 ARG HA H 178 4.746 4.746 4.609 0.137 18728 14162 1 14 . 1 1 178 178 ARG C C 178 175.689 175.689 174.613 1.076 18728 14163 1 14 . 1 1 178 178 ARG CA C 178 54.212 54.212 55.236 -1.024 18728 14164 1 14 . 1 1 178 178 ARG CB C 178 34.184 34.184 32.530 1.654 18728 14165 1 14 . 1 1 178 178 ARG H H 178 8.701 8.701 8.113 0.588 18728 14166 1 14 . 1 1 179 179 LYS N N 179 121.001 121.001 121.139 -0.138 18728 14167 1 14 . 1 1 179 179 LYS HA H 179 4.098 4.098 4.252 -0.154 18728 14168 1 14 . 1 1 179 179 LYS C C 179 176.026 176.026 176.064 -0.038 18728 14169 1 14 . 1 1 179 179 LYS CA C 179 59.027 59.027 56.569 2.458 18728 14170 1 14 . 1 1 179 179 LYS CB C 179 33.377 33.377 31.853 1.524 18728 14171 1 14 . 1 1 179 179 LYS H H 179 8.990 8.990 8.594 0.396 18728 14172 1 14 . 1 1 180 180 ALA N N 180 126.810 126.810 129.179 -2.369 18728 14173 1 14 . 1 1 180 180 ALA HA H 180 4.565 4.565 4.698 -0.133 18728 14174 1 14 . 1 1 180 180 ALA C C 180 175.318 175.318 175.219 0.099 18728 14175 1 14 . 1 1 180 180 ALA CA C 180 51.432 51.432 50.908 0.524 18728 14176 1 14 . 1 1 180 180 ALA CB C 180 19.201 19.201 21.684 -2.483 18728 14177 1 14 . 1 1 180 180 ALA H H 180 8.378 8.378 8.588 -0.210 18728 14178 1 14 . 1 1 181 181 LEU N N 181 122.300 122.300 122.425 -0.125 18728 14179 1 14 . 1 1 181 181 LEU HA H 181 4.401 4.401 4.633 -0.232 18728 14180 1 14 . 1 1 181 181 LEU CA C 181 54.737 54.737 53.190 1.547 18728 14181 1 14 . 1 1 181 181 LEU CB C 181 43.199 43.199 44.393 -1.194 18728 14182 1 14 . 1 1 181 181 LEU H H 181 8.001 8.001 7.848 0.153 18728 14183 1 14 . 1 1 182 182 SER HA H 182 4.406 4.406 4.306 0.100 18728 14184 1 14 . 1 1 182 182 SER CA C 182 58.100 58.100 58.176 -0.076 18728 14185 1 14 . 1 1 182 182 SER CB C 182 64.440 64.440 64.233 0.208 18728 14186 1 14 . 1 1 183 183 LYS HA H 183 4.101 4.101 4.015 0.086 18728 14187 1 14 . 1 1 183 183 LYS C C 183 177.343 177.343 178.887 -1.544 18728 14188 1 14 . 1 1 183 183 LYS CA C 183 57.744 57.744 59.423 -1.679 18728 14189 1 14 . 1 1 183 183 LYS CB C 183 32.586 32.586 31.954 0.632 18728 14190 1 14 . 1 1 184 184 GLN N N 184 120.056 120.056 116.803 3.253 18728 14191 1 14 . 1 1 184 184 GLN HA H 184 4.167 4.167 3.987 0.180 18728 14192 1 14 . 1 1 184 184 GLN C C 184 176.718 176.718 178.039 -1.321 18728 14193 1 14 . 1 1 184 184 GLN CA C 184 56.981 56.981 59.696 -2.715 18728 14194 1 14 . 1 1 184 184 GLN CB C 184 28.990 28.990 28.416 0.574 18728 14195 1 14 . 1 1 184 184 GLN H H 184 8.320 8.320 8.838 -0.518 18728 14196 1 14 . 1 1 185 185 GLU N N 185 121.610 121.610 118.793 2.817 18728 14197 1 14 . 1 1 185 185 GLU HA H 185 4.132 4.132 4.172 -0.040 18728 14198 1 14 . 1 1 185 185 GLU C C 185 177.117 177.117 178.328 -1.211 18728 14199 1 14 . 1 1 185 185 GLU CA C 185 57.234 57.234 58.466 -1.232 18728 14200 1 14 . 1 1 185 185 GLU CB C 185 30.235 30.235 29.802 0.433 18728 14201 1 14 . 1 1 185 185 GLU H H 185 8.143 8.143 7.707 0.436 18728 14202 1 14 . 1 1 186 186 MET N N 186 120.092 120.092 117.838 2.254 18728 14203 1 14 . 1 1 186 186 MET HA H 186 4.289 4.289 4.288 0.001 18728 14204 1 14 . 1 1 186 186 MET C C 186 176.438 176.438 178.106 -1.668 18728 14205 1 14 . 1 1 186 186 MET CA C 186 56.069 56.069 58.148 -2.079 18728 14206 1 14 . 1 1 186 186 MET CB C 186 32.847 32.847 33.005 -0.158 18728 14207 1 14 . 1 1 186 186 MET H H 186 8.195 8.195 8.392 -0.197 18728 14208 1 14 . 1 1 187 187 ALA N N 187 124.104 124.104 120.313 3.791 18728 14209 1 14 . 1 1 187 187 ALA HA H 187 4.297 4.297 4.267 0.030 18728 14210 1 14 . 1 1 187 187 ALA C C 187 178.107 178.107 178.066 0.041 18728 14211 1 14 . 1 1 187 187 ALA CA C 187 52.912 52.912 53.172 -0.260 18728 14212 1 14 . 1 1 187 187 ALA CB C 187 19.060 19.060 19.811 -0.752 18728 14213 1 14 . 1 1 187 187 ALA H H 187 8.060 8.060 7.829 0.231 18728 14214 1 14 . 1 1 188 188 SER N N 188 114.374 114.374 110.575 3.799 18728 14215 1 14 . 1 1 188 188 SER HA H 188 4.357 4.357 4.168 0.189 18728 14216 1 14 . 1 1 188 188 SER C C 188 174.757 174.757 173.884 0.873 18728 14217 1 14 . 1 1 188 188 SER CA C 188 58.598 58.598 59.171 -0.573 18728 14218 1 14 . 1 1 188 188 SER CB C 188 63.734 63.734 61.387 2.347 18728 14219 1 14 . 1 1 188 188 SER H H 188 8.173 8.173 8.354 -0.181 18728 14220 1 14 . 1 1 189 189 ALA N N 189 125.637 125.637 122.670 2.967 18728 14221 1 14 . 1 1 189 189 ALA HA H 189 4.246 4.246 4.564 -0.318 18728 14222 1 14 . 1 1 189 189 ALA CA C 189 53.015 53.015 51.301 1.714 18728 14223 1 14 . 1 1 189 189 ALA CB C 189 19.069 19.069 20.863 -1.794 18728 14224 1 14 . 1 1 189 189 ALA H H 189 8.207 8.207 7.673 0.534 18728 14225 1 15 . 1 1 5 5 GLU N N 5 122.509 122.509 121.754 0.755 18728 14226 1 15 . 1 1 5 5 GLU HA H 5 4.345 4.345 3.974 0.371 18728 14227 1 15 . 1 1 5 5 GLU C C 5 176.240 176.240 175.118 1.122 18728 14228 1 15 . 1 1 5 5 GLU CA C 5 56.190 56.190 57.619 -1.429 18728 14229 1 15 . 1 1 5 5 GLU CB C 5 30.611 30.611 28.277 2.334 18728 14230 1 15 . 1 1 5 5 GLU H H 5 8.321 8.321 9.098 -0.777 18728 14231 1 15 . 1 1 6 6 SER N N 6 118.728 118.728 115.103 3.625 18728 14232 1 15 . 1 1 6 6 SER HA H 6 4.342 4.342 4.915 -0.573 18728 14233 1 15 . 1 1 6 6 SER CA C 6 56.305 56.305 56.514 -0.209 18728 14234 1 15 . 1 1 6 6 SER CB C 6 63.241 63.241 64.061 -0.820 18728 14235 1 15 . 1 1 6 6 SER H H 6 8.349 8.349 8.060 0.289 18728 14236 1 15 . 1 1 7 7 PRO HA H 7 4.427 4.427 4.600 -0.173 18728 14237 1 15 . 1 1 7 7 PRO C C 7 177.027 177.027 176.132 0.895 18728 14238 1 15 . 1 1 7 7 PRO CA C 7 63.271 63.271 62.632 0.639 18728 14239 1 15 . 1 1 7 7 PRO CB C 7 32.111 32.111 32.846 -0.735 18728 14240 1 15 . 1 1 8 8 LYS N N 8 121.819 121.819 119.213 2.606 18728 14241 1 15 . 1 1 8 8 LYS HA H 8 4.290 4.290 4.505 -0.215 18728 14242 1 15 . 1 1 8 8 LYS C C 8 177.015 177.015 176.080 0.935 18728 14243 1 15 . 1 1 8 8 LYS CA C 8 56.455 56.455 55.654 0.801 18728 14244 1 15 . 1 1 8 8 LYS CB C 8 33.341 33.341 32.409 0.932 18728 14245 1 15 . 1 1 8 8 LYS H H 8 8.445 8.445 8.503 -0.058 18728 14246 1 15 . 1 1 9 9 GLU N N 9 121.243 121.243 121.006 0.237 18728 14247 1 15 . 1 1 9 9 GLU HA H 9 4.606 4.606 4.759 -0.153 18728 14248 1 15 . 1 1 9 9 GLU CA C 9 54.480 54.480 53.777 0.703 18728 14249 1 15 . 1 1 9 9 GLU CB C 9 29.572 29.572 30.024 -0.452 18728 14250 1 15 . 1 1 9 9 GLU H H 9 8.313 8.313 7.825 0.488 18728 14251 1 15 . 1 1 10 10 PRO HA H 10 4.335 4.335 4.454 -0.119 18728 14252 1 15 . 1 1 10 10 PRO C C 10 177.491 177.491 177.614 -0.123 18728 14253 1 15 . 1 1 10 10 PRO CA C 10 63.587 63.587 62.300 1.287 18728 14254 1 15 . 1 1 10 10 PRO CB C 10 32.374 32.374 33.196 -0.822 18728 14255 1 15 . 1 1 11 11 GLU N N 11 123.071 123.071 121.794 1.277 18728 14256 1 15 . 1 1 11 11 GLU HA H 11 3.686 3.686 3.927 -0.241 18728 14257 1 15 . 1 1 11 11 GLU C C 11 177.984 177.984 177.954 0.030 18728 14258 1 15 . 1 1 11 11 GLU CA C 11 59.651 59.651 60.112 -0.461 18728 14259 1 15 . 1 1 11 11 GLU CB C 11 29.819 29.819 28.445 1.374 18728 14260 1 15 . 1 1 11 11 GLU H H 11 8.692 8.692 8.873 -0.181 18728 14261 1 15 . 1 1 12 12 GLN N N 12 116.079 116.079 115.710 0.369 18728 14262 1 15 . 1 1 12 12 GLN HA H 12 3.979 3.979 4.186 -0.207 18728 14263 1 15 . 1 1 12 12 GLN C C 12 177.579 177.579 177.163 0.416 18728 14264 1 15 . 1 1 12 12 GLN CA C 12 58.526 58.526 58.169 0.357 18728 14265 1 15 . 1 1 12 12 GLN CB C 12 28.112 28.112 28.055 0.057 18728 14266 1 15 . 1 1 12 12 GLN H H 12 8.647 8.647 8.433 0.214 18728 14267 1 15 . 1 1 13 13 LEU N N 13 116.530 116.530 118.066 -1.536 18728 14268 1 15 . 1 1 13 13 LEU HA H 13 4.264 4.264 4.311 -0.047 18728 14269 1 15 . 1 1 13 13 LEU C C 13 177.080 177.080 177.943 -0.863 18728 14270 1 15 . 1 1 13 13 LEU CA C 13 55.945 55.945 56.494 -0.549 18728 14271 1 15 . 1 1 13 13 LEU CB C 13 42.317 42.317 42.566 -0.249 18728 14272 1 15 . 1 1 13 13 LEU H H 13 7.471 7.471 7.624 -0.153 18728 14273 1 15 . 1 1 14 14 ARG N N 14 116.981 116.981 113.444 3.537 18728 14274 1 15 . 1 1 14 14 ARG HA H 14 4.417 4.417 4.515 -0.098 18728 14275 1 15 . 1 1 14 14 ARG C C 14 172.996 172.996 175.922 -2.926 18728 14276 1 15 . 1 1 14 14 ARG CA C 14 56.067 56.067 55.725 0.342 18728 14277 1 15 . 1 1 14 14 ARG CB C 14 29.944 29.944 31.243 -1.299 18728 14278 1 15 . 1 1 14 14 ARG H H 14 7.576 7.576 7.574 0.002 18728 14279 1 15 . 1 1 15 15 LYS N N 15 119.990 119.990 122.551 -2.561 18728 14280 1 15 . 1 1 15 15 LYS HA H 15 5.198 5.198 5.068 0.130 18728 14281 1 15 . 1 1 15 15 LYS CA C 15 55.301 55.301 55.534 -0.233 18728 14282 1 15 . 1 1 15 15 LYS CB C 15 35.888 35.888 35.133 0.755 18728 14283 1 15 . 1 1 15 15 LYS H H 15 6.946 6.946 8.193 -1.247 18728 14284 1 15 . 1 1 16 16 LEU N N 16 126.081 126.081 124.794 1.287 18728 14285 1 15 . 1 1 16 16 LEU HA H 16 5.016 5.016 5.161 -0.145 18728 14286 1 15 . 1 1 16 16 LEU C C 16 176.309 176.309 175.559 0.750 18728 14287 1 15 . 1 1 16 16 LEU CA C 16 53.334 53.334 53.128 0.206 18728 14288 1 15 . 1 1 16 16 LEU CB C 16 45.062 45.062 45.506 -0.444 18728 14289 1 15 . 1 1 16 16 LEU H H 16 9.605 9.605 9.092 0.513 18728 14290 1 15 . 1 1 17 17 PHE N N 17 123.569 123.569 124.273 -0.704 18728 14291 1 15 . 1 1 17 17 PHE HA H 17 4.585 4.585 5.091 -0.506 18728 14292 1 15 . 1 1 17 17 PHE C C 17 174.362 174.362 173.742 0.620 18728 14293 1 15 . 1 1 17 17 PHE CA C 17 57.153 57.153 56.255 0.897 18728 14294 1 15 . 1 1 17 17 PHE CB C 17 40.603 40.603 41.567 -0.964 18728 14295 1 15 . 1 1 17 17 PHE H H 17 9.023 9.023 9.157 -0.134 18728 14296 1 15 . 1 1 18 18 ILE N N 18 126.932 126.932 126.405 0.527 18728 14297 1 15 . 1 1 18 18 ILE HA H 18 4.029 4.029 4.236 -0.207 18728 14298 1 15 . 1 1 18 18 ILE C C 18 173.832 173.832 174.471 -0.639 18728 14299 1 15 . 1 1 18 18 ILE CA C 18 59.156 59.156 57.974 1.182 18728 14300 1 15 . 1 1 18 18 ILE CB C 18 36.909 36.909 37.467 -0.558 18728 14301 1 15 . 1 1 18 18 ILE H H 18 8.486 8.486 8.415 0.071 18728 14302 1 15 . 1 1 19 19 GLY N N 19 112.953 112.953 112.311 0.642 18728 14303 1 15 . 1 1 19 19 GLY C C 19 174.426 174.426 173.881 0.545 18728 14304 1 15 . 1 1 19 19 GLY CA C 19 43.611 43.611 43.136 0.475 18728 14305 1 15 . 1 1 19 19 GLY H H 19 7.948 7.948 8.586 -0.638 18728 14306 1 15 . 1 1 20 20 GLY N N 20 107.584 107.584 110.251 -2.667 18728 14307 1 15 . 1 1 20 20 GLY C C 20 175.563 175.563 174.439 1.124 18728 14308 1 15 . 1 1 20 20 GLY CA C 20 46.530 46.530 45.214 1.316 18728 14309 1 15 . 1 1 20 20 GLY H H 20 8.542 8.542 8.161 0.381 18728 14310 1 15 . 1 1 21 21 LEU N N 21 115.232 115.232 119.723 -4.491 18728 14311 1 15 . 1 1 21 21 LEU HA H 21 4.025 4.025 4.165 -0.140 18728 14312 1 15 . 1 1 21 21 LEU C C 21 179.121 179.121 176.499 2.622 18728 14313 1 15 . 1 1 21 21 LEU CA C 21 54.192 54.192 54.828 -0.636 18728 14314 1 15 . 1 1 21 21 LEU CB C 21 42.892 42.892 42.702 0.190 18728 14315 1 15 . 1 1 21 21 LEU H H 21 7.472 7.472 7.953 -0.481 18728 14316 1 15 . 1 1 22 22 SER N N 22 114.737 114.737 114.436 0.301 18728 14317 1 15 . 1 1 22 22 SER HA H 22 4.125 4.125 4.601 -0.476 18728 14318 1 15 . 1 1 22 22 SER C C 22 177.842 177.842 175.286 2.556 18728 14319 1 15 . 1 1 22 22 SER CA C 22 57.635 57.635 57.981 -0.346 18728 14320 1 15 . 1 1 22 22 SER CB C 22 63.106 63.106 65.036 -1.930 18728 14321 1 15 . 1 1 22 22 SER H H 22 9.136 9.136 8.117 1.019 18728 14322 1 15 . 1 1 23 23 PHE N N 23 128.194 128.194 120.731 7.463 18728 14323 1 15 . 1 1 23 23 PHE HA H 23 4.307 4.307 4.851 -0.544 18728 14324 1 15 . 1 1 23 23 PHE C C 23 175.626 175.626 175.536 0.090 18728 14325 1 15 . 1 1 23 23 PHE CA C 23 60.205 60.205 58.522 1.683 18728 14326 1 15 . 1 1 23 23 PHE CB C 23 37.570 37.570 39.692 -2.122 18728 14327 1 15 . 1 1 23 23 PHE H H 23 9.034 9.034 9.060 -0.026 18728 14328 1 15 . 1 1 24 24 GLU N N 24 116.093 116.093 116.936 -0.843 18728 14329 1 15 . 1 1 24 24 GLU HA H 24 4.255 4.255 4.460 -0.205 18728 14330 1 15 . 1 1 24 24 GLU C C 24 177.429 177.429 175.241 2.188 18728 14331 1 15 . 1 1 24 24 GLU CA C 24 56.522 56.522 54.922 1.600 18728 14332 1 15 . 1 1 24 24 GLU CB C 24 29.980 29.980 30.912 -0.932 18728 14333 1 15 . 1 1 24 24 GLU H H 24 8.295 8.295 7.603 0.692 18728 14334 1 15 . 1 1 25 25 THR N N 25 118.836 118.836 118.080 0.756 18728 14335 1 15 . 1 1 25 25 THR HA H 25 4.091 4.091 4.286 -0.195 18728 14336 1 15 . 1 1 25 25 THR C C 25 174.238 174.238 173.882 0.356 18728 14337 1 15 . 1 1 25 25 THR CA C 25 64.862 64.862 63.608 1.254 18728 14338 1 15 . 1 1 25 25 THR CB C 25 68.584 68.584 69.293 -0.709 18728 14339 1 15 . 1 1 25 25 THR H H 25 7.280 7.280 7.364 -0.084 18728 14340 1 15 . 1 1 26 26 THR N N 26 119.434 119.434 115.463 3.971 18728 14341 1 15 . 1 1 26 26 THR HA H 26 4.484 4.484 4.576 -0.092 18728 14342 1 15 . 1 1 26 26 THR C C 26 174.563 174.563 175.143 -0.580 18728 14343 1 15 . 1 1 26 26 THR CA C 26 59.361 59.361 59.727 -0.366 18728 14344 1 15 . 1 1 26 26 THR CB C 26 72.727 72.727 72.387 0.340 18728 14345 1 15 . 1 1 26 26 THR H H 26 8.447 8.447 8.011 0.436 18728 14346 1 15 . 1 1 27 27 ASP N N 27 120.342 120.342 122.122 -1.780 18728 14347 1 15 . 1 1 27 27 ASP HA H 27 3.920 3.920 4.284 -0.364 18728 14348 1 15 . 1 1 27 27 ASP C C 27 178.347 178.347 178.153 0.194 18728 14349 1 15 . 1 1 27 27 ASP CA C 27 58.148 58.148 58.958 -0.810 18728 14350 1 15 . 1 1 27 27 ASP CB C 27 39.954 39.954 40.587 -0.633 18728 14351 1 15 . 1 1 27 27 ASP H H 27 8.794 8.794 8.840 -0.046 18728 14352 1 15 . 1 1 28 28 GLU N N 28 116.494 116.494 118.256 -1.762 18728 14353 1 15 . 1 1 28 28 GLU HA H 28 3.993 3.993 3.975 0.018 18728 14354 1 15 . 1 1 28 28 GLU C C 28 178.987 178.987 178.661 0.326 18728 14355 1 15 . 1 1 28 28 GLU CA C 28 60.281 60.281 59.488 0.793 18728 14356 1 15 . 1 1 28 28 GLU CB C 28 29.193 29.193 29.120 0.073 18728 14357 1 15 . 1 1 28 28 GLU H H 28 8.444 8.444 8.836 -0.392 18728 14358 1 15 . 1 1 29 29 SER N N 29 120.532 120.532 116.625 3.907 18728 14359 1 15 . 1 1 29 29 SER HA H 29 4.333 4.333 4.316 0.017 18728 14360 1 15 . 1 1 29 29 SER C C 29 178.125 178.125 176.637 1.488 18728 14361 1 15 . 1 1 29 29 SER CA C 29 61.720 61.720 61.376 0.344 18728 14362 1 15 . 1 1 29 29 SER H H 29 8.384 8.384 7.586 0.798 18728 14363 1 15 . 1 1 30 30 LEU N N 30 126.754 126.754 124.088 2.666 18728 14364 1 15 . 1 1 30 30 LEU HA H 30 4.080 4.080 4.164 -0.084 18728 14365 1 15 . 1 1 30 30 LEU C C 30 178.341 178.341 177.652 0.689 18728 14366 1 15 . 1 1 30 30 LEU CA C 30 58.073 58.073 57.801 0.272 18728 14367 1 15 . 1 1 30 30 LEU CB C 30 42.524 42.524 41.667 0.857 18728 14368 1 15 . 1 1 30 30 LEU H H 30 8.487 8.487 8.281 0.206 18728 14369 1 15 . 1 1 31 31 ARG N N 31 121.192 121.192 119.288 1.904 18728 14370 1 15 . 1 1 31 31 ARG HA H 31 3.863 3.863 3.883 -0.020 18728 14371 1 15 . 1 1 31 31 ARG C C 31 177.765 177.765 178.242 -0.477 18728 14372 1 15 . 1 1 31 31 ARG CA C 31 59.706 59.706 60.379 -0.673 18728 14373 1 15 . 1 1 31 31 ARG CB C 31 30.648 30.648 30.143 0.505 18728 14374 1 15 . 1 1 31 31 ARG H H 31 7.980 7.980 8.617 -0.637 18728 14375 1 15 . 1 1 32 32 SER N N 32 112.868 112.868 113.606 -0.738 18728 14376 1 15 . 1 1 32 32 SER HA H 32 4.104 4.104 4.155 -0.051 18728 14377 1 15 . 1 1 32 32 SER C C 32 176.416 176.416 176.375 0.041 18728 14378 1 15 . 1 1 32 32 SER CA C 32 61.437 61.437 62.407 -0.970 18728 14379 1 15 . 1 1 32 32 SER CB C 32 62.933 62.933 63.078 -0.145 18728 14380 1 15 . 1 1 32 32 SER H H 32 8.295 8.295 8.071 0.224 18728 14381 1 15 . 1 1 33 33 HIS N N 33 115.910 115.910 121.748 -5.838 18728 14382 1 15 . 1 1 33 33 HIS HA H 33 4.346 4.346 4.336 0.010 18728 14383 1 15 . 1 1 33 33 HIS C C 33 177.510 177.510 177.704 -0.194 18728 14384 1 15 . 1 1 33 33 HIS CA C 33 60.373 60.373 59.718 0.655 18728 14385 1 15 . 1 1 33 33 HIS CB C 33 30.776 30.776 29.959 0.817 18728 14386 1 15 . 1 1 33 33 HIS H H 33 7.406 7.406 7.783 -0.377 18728 14387 1 15 . 1 1 34 34 PHE N N 34 113.562 113.562 118.833 -5.271 18728 14388 1 15 . 1 1 34 34 PHE HA H 34 4.526 4.526 4.705 -0.179 18728 14389 1 15 . 1 1 34 34 PHE C C 34 179.061 179.061 178.378 0.683 18728 14390 1 15 . 1 1 34 34 PHE CA C 34 64.104 64.104 62.040 2.064 18728 14391 1 15 . 1 1 34 34 PHE CB C 34 38.379 38.379 39.188 -0.809 18728 14392 1 15 . 1 1 34 34 PHE H H 34 8.227 8.227 8.258 -0.031 18728 14393 1 15 . 1 1 35 35 GLU N N 35 124.490 124.490 120.432 4.058 18728 14394 1 15 . 1 1 35 35 GLU HA H 35 4.962 4.962 4.453 0.509 18728 14395 1 15 . 1 1 35 35 GLU C C 35 176.476 176.476 177.702 -1.226 18728 14396 1 15 . 1 1 35 35 GLU CA C 35 57.950 57.950 58.337 -0.387 18728 14397 1 15 . 1 1 35 35 GLU CB C 35 28.690 28.690 29.317 -0.627 18728 14398 1 15 . 1 1 35 35 GLU H H 35 9.219 9.219 8.709 0.510 18728 14399 1 15 . 1 1 36 36 GLN N N 36 116.596 116.596 117.314 -0.718 18728 14400 1 15 . 1 1 36 36 GLN HA H 36 3.706 3.706 3.962 -0.256 18728 14401 1 15 . 1 1 36 36 GLN C C 36 176.486 176.486 177.301 -0.815 18728 14402 1 15 . 1 1 36 36 GLN CA C 36 58.206 58.206 57.697 0.509 18728 14403 1 15 . 1 1 36 36 GLN CB C 36 27.731 27.731 28.268 -0.537 18728 14404 1 15 . 1 1 36 36 GLN H H 36 7.011 7.011 7.541 -0.530 18728 14405 1 15 . 1 1 37 37 TRP N N 37 114.690 114.690 117.273 -2.583 18728 14406 1 15 . 1 1 37 37 TRP HA H 37 4.481 4.481 4.848 -0.367 18728 14407 1 15 . 1 1 37 37 TRP C C 37 173.662 173.662 176.697 -3.035 18728 14408 1 15 . 1 1 37 37 TRP CA C 37 61.557 61.557 58.611 2.946 18728 14409 1 15 . 1 1 37 37 TRP CB C 37 29.074 29.074 31.321 -2.247 18728 14410 1 15 . 1 1 37 37 TRP H H 37 7.017 7.017 7.871 -0.854 18728 14411 1 15 . 1 1 38 38 GLY N N 38 105.060 105.060 104.293 0.767 18728 14412 1 15 . 1 1 38 38 GLY C C 38 171.596 171.596 172.507 -0.911 18728 14413 1 15 . 1 1 38 38 GLY CA C 38 45.545 45.545 45.534 0.011 18728 14414 1 15 . 1 1 38 38 GLY H H 38 7.294 7.294 7.707 -0.413 18728 14415 1 15 . 1 1 39 39 THR N N 39 117.179 117.179 118.410 -1.231 18728 14416 1 15 . 1 1 39 39 THR HA H 39 4.231 4.231 4.268 -0.037 18728 14417 1 15 . 1 1 39 39 THR C C 39 173.760 173.760 173.957 -0.197 18728 14418 1 15 . 1 1 39 39 THR CA C 39 62.904 62.904 64.686 -1.782 18728 14419 1 15 . 1 1 39 39 THR CB C 39 69.813 69.813 69.530 0.283 18728 14420 1 15 . 1 1 39 39 THR H H 39 8.770 8.770 9.157 -0.387 18728 14421 1 15 . 1 1 40 40 LEU N N 40 126.702 126.702 126.787 -0.085 18728 14422 1 15 . 1 1 40 40 LEU HA H 40 4.943 4.943 4.828 0.115 18728 14423 1 15 . 1 1 40 40 LEU C C 40 178.358 178.358 177.538 0.820 18728 14424 1 15 . 1 1 40 40 LEU CA C 40 52.969 52.969 53.693 -0.724 18728 14425 1 15 . 1 1 40 40 LEU CB C 40 41.893 41.893 44.026 -2.132 18728 14426 1 15 . 1 1 40 40 LEU H H 40 8.831 8.831 8.765 0.066 18728 14427 1 15 . 1 1 41 41 THR N N 41 117.175 117.175 115.403 1.772 18728 14428 1 15 . 1 1 41 41 THR HA H 41 4.197 4.197 4.388 -0.191 18728 14429 1 15 . 1 1 41 41 THR C C 41 175.050 175.050 174.647 0.403 18728 14430 1 15 . 1 1 41 41 THR CA C 41 62.668 62.668 62.677 -0.009 18728 14431 1 15 . 1 1 41 41 THR CB C 41 67.618 67.618 69.718 -2.099 18728 14432 1 15 . 1 1 41 41 THR H H 41 8.926 8.926 8.755 0.171 18728 14433 1 15 . 1 1 42 42 ASP N N 42 118.764 118.764 120.755 -1.991 18728 14434 1 15 . 1 1 42 42 ASP HA H 42 4.620 4.620 4.765 -0.145 18728 14435 1 15 . 1 1 42 42 ASP C C 42 174.637 174.637 173.805 0.832 18728 14436 1 15 . 1 1 42 42 ASP CA C 42 54.235 54.235 54.448 -0.213 18728 14437 1 15 . 1 1 42 42 ASP CB C 42 44.253 44.253 44.439 -0.186 18728 14438 1 15 . 1 1 42 42 ASP H H 42 7.513 7.513 7.836 -0.323 18728 14439 1 15 . 1 1 43 43 CYS N N 43 123.632 123.632 123.547 0.085 18728 14440 1 15 . 1 1 43 43 CYS HA H 43 4.842 4.842 5.301 -0.459 18728 14441 1 15 . 1 1 43 43 CYS C C 43 171.885 171.885 172.596 -0.711 18728 14442 1 15 . 1 1 43 43 CYS CA C 43 59.376 59.376 57.925 1.451 18728 14443 1 15 . 1 1 43 43 CYS CB C 43 26.377 26.377 30.567 -4.190 18728 14444 1 15 . 1 1 43 43 CYS H H 43 8.436 8.436 8.503 -0.067 18728 14445 1 15 . 1 1 44 44 VAL N N 44 126.787 126.787 129.010 -2.223 18728 14446 1 15 . 1 1 44 44 VAL HA H 44 4.576 4.576 4.855 -0.279 18728 14447 1 15 . 1 1 44 44 VAL C C 44 173.371 173.371 173.350 0.021 18728 14448 1 15 . 1 1 44 44 VAL CA C 44 60.151 60.151 60.568 -0.417 18728 14449 1 15 . 1 1 44 44 VAL CB C 44 36.424 36.424 35.586 0.838 18728 14450 1 15 . 1 1 44 44 VAL H H 44 8.737 8.737 9.113 -0.376 18728 14451 1 15 . 1 1 45 45 VAL N N 45 125.522 125.522 128.688 -3.166 18728 14452 1 15 . 1 1 45 45 VAL HA H 45 3.711 3.711 4.049 -0.338 18728 14453 1 15 . 1 1 45 45 VAL C C 45 176.674 176.674 174.747 1.927 18728 14454 1 15 . 1 1 45 45 VAL CA C 45 62.509 62.509 60.955 1.554 18728 14455 1 15 . 1 1 45 45 VAL CB C 45 33.175 33.175 33.946 -0.771 18728 14456 1 15 . 1 1 45 45 VAL H H 45 8.269 8.269 9.078 -0.809 18728 14457 1 15 . 1 1 46 46 MET N N 46 126.833 126.833 129.227 -2.394 18728 14458 1 15 . 1 1 46 46 MET HA H 46 4.441 4.441 4.324 0.117 18728 14459 1 15 . 1 1 46 46 MET C C 46 175.413 175.413 174.975 0.438 18728 14460 1 15 . 1 1 46 46 MET CA C 46 54.852 54.852 54.367 0.485 18728 14461 1 15 . 1 1 46 46 MET CB C 46 30.454 30.454 29.372 1.082 18728 14462 1 15 . 1 1 46 46 MET H H 46 8.445 8.445 8.356 0.089 18728 14463 1 15 . 1 1 47 47 ARG N N 47 120.697 120.697 123.407 -2.710 18728 14464 1 15 . 1 1 47 47 ARG HA H 47 4.838 4.838 4.646 0.192 18728 14465 1 15 . 1 1 47 47 ARG CA C 47 54.308 54.308 54.776 -0.468 18728 14466 1 15 . 1 1 47 47 ARG CB C 47 34.048 34.048 31.973 2.075 18728 14467 1 15 . 1 1 47 47 ARG H H 47 8.308 8.308 7.914 0.394 18728 14468 1 15 . 1 1 48 48 ASP N N 48 125.146 125.146 121.912 3.234 18728 14469 1 15 . 1 1 48 48 ASP HA H 48 4.686 4.686 4.816 -0.130 18728 14470 1 15 . 1 1 48 48 ASP C C 48 176.046 176.046 176.374 -0.328 18728 14471 1 15 . 1 1 48 48 ASP CA C 48 52.106 52.106 52.421 -0.315 18728 14472 1 15 . 1 1 48 48 ASP CB C 48 42.878 42.878 41.768 1.110 18728 14473 1 15 . 1 1 48 48 ASP H H 48 8.577 8.577 8.394 0.183 18728 14474 1 15 . 1 1 49 49 PRO HA H 49 4.310 4.310 4.304 0.006 18728 14475 1 15 . 1 1 49 49 PRO C C 49 177.166 177.166 176.714 0.452 18728 14476 1 15 . 1 1 49 49 PRO CA C 49 64.584 64.584 64.803 -0.219 18728 14477 1 15 . 1 1 49 49 PRO CB C 49 32.136 32.136 31.773 0.363 18728 14478 1 15 . 1 1 50 50 ASN N N 50 115.474 115.474 115.719 -0.245 18728 14479 1 15 . 1 1 50 50 ASN HA H 50 4.723 4.723 4.694 0.029 18728 14480 1 15 . 1 1 50 50 ASN C C 50 176.642 176.642 176.442 0.200 18728 14481 1 15 . 1 1 50 50 ASN CA C 50 55.444 55.444 55.198 0.246 18728 14482 1 15 . 1 1 50 50 ASN CB C 50 39.455 39.455 39.651 -0.196 18728 14483 1 15 . 1 1 50 50 ASN H H 50 8.560 8.560 8.040 0.520 18728 14484 1 15 . 1 1 51 51 THR N N 51 108.788 108.788 112.231 -3.443 18728 14485 1 15 . 1 1 51 51 THR HA H 51 4.264 4.264 4.464 -0.200 18728 14486 1 15 . 1 1 51 51 THR C C 51 176.018 176.018 174.167 1.851 18728 14487 1 15 . 1 1 51 51 THR CA C 51 62.063 62.063 63.091 -1.028 18728 14488 1 15 . 1 1 51 51 THR CB C 51 70.768 70.768 69.901 0.867 18728 14489 1 15 . 1 1 51 51 THR H H 51 8.277 8.277 8.770 -0.493 18728 14490 1 15 . 1 1 52 52 LYS N N 52 114.615 114.615 116.055 -1.440 18728 14491 1 15 . 1 1 52 52 LYS HA H 52 3.917 3.917 3.958 -0.041 18728 14492 1 15 . 1 1 52 52 LYS C C 52 175.376 175.376 174.917 0.459 18728 14493 1 15 . 1 1 52 52 LYS CA C 52 57.902 57.902 57.026 0.876 18728 14494 1 15 . 1 1 52 52 LYS CB C 52 29.293 29.293 29.765 -0.472 18728 14495 1 15 . 1 1 52 52 LYS H H 52 8.091 8.091 8.173 -0.082 18728 14496 1 15 . 1 1 53 53 ARG N N 53 120.395 120.395 116.746 3.649 18728 14497 1 15 . 1 1 53 53 ARG HA H 53 4.169 4.169 4.307 -0.138 18728 14498 1 15 . 1 1 53 53 ARG C C 53 176.619 176.619 175.808 0.811 18728 14499 1 15 . 1 1 53 53 ARG CA C 53 56.233 56.233 52.922 3.311 18728 14500 1 15 . 1 1 53 53 ARG CB C 53 31.045 31.045 31.424 -0.379 18728 14501 1 15 . 1 1 53 53 ARG H H 53 7.847 7.847 7.432 0.415 18728 14502 1 15 . 1 1 54 54 SER N N 54 116.987 116.987 115.496 1.491 18728 14503 1 15 . 1 1 54 54 SER HA H 54 4.186 4.186 4.262 -0.076 18728 14504 1 15 . 1 1 54 54 SER C C 54 175.755 175.755 175.334 0.421 18728 14505 1 15 . 1 1 54 54 SER CA C 54 58.559 58.559 58.526 0.033 18728 14506 1 15 . 1 1 54 54 SER CB C 54 63.922 63.922 63.707 0.215 18728 14507 1 15 . 1 1 54 54 SER H H 54 8.810 8.810 7.792 1.018 18728 14508 1 15 . 1 1 55 55 ARG N N 55 123.427 123.427 128.110 -4.683 18728 14509 1 15 . 1 1 55 55 ARG HA H 55 4.403 4.403 4.393 0.010 18728 14510 1 15 . 1 1 55 55 ARG C C 55 177.962 177.962 176.861 1.101 18728 14511 1 15 . 1 1 55 55 ARG CA C 55 56.096 56.096 55.848 0.248 18728 14512 1 15 . 1 1 55 55 ARG CB C 55 31.294 31.294 30.316 0.978 18728 14513 1 15 . 1 1 55 55 ARG H H 55 8.976 8.976 8.670 0.306 18728 14514 1 15 . 1 1 56 56 GLY N N 56 107.308 107.308 107.148 0.160 18728 14515 1 15 . 1 1 56 56 GLY C C 56 171.856 171.856 173.693 -1.837 18728 14516 1 15 . 1 1 56 56 GLY CA C 56 45.669 45.669 45.409 0.260 18728 14517 1 15 . 1 1 56 56 GLY H H 56 9.375 9.375 8.017 1.358 18728 14518 1 15 . 1 1 57 57 PHE N N 57 112.537 112.537 115.554 -3.017 18728 14519 1 15 . 1 1 57 57 PHE HA H 57 5.201 5.201 5.430 -0.229 18728 14520 1 15 . 1 1 57 57 PHE C C 57 172.646 172.646 173.011 -0.365 18728 14521 1 15 . 1 1 57 57 PHE CA C 57 54.918 54.918 55.166 -0.248 18728 14522 1 15 . 1 1 57 57 PHE CB C 57 41.743 41.743 41.014 0.730 18728 14523 1 15 . 1 1 57 57 PHE H H 57 7.044 7.044 7.206 -0.162 18728 14524 1 15 . 1 1 58 58 GLY N N 58 106.816 106.816 106.568 0.248 18728 14525 1 15 . 1 1 58 58 GLY C C 58 169.931 169.931 171.094 -1.163 18728 14526 1 15 . 1 1 58 58 GLY CA C 58 45.304 45.304 44.477 0.827 18728 14527 1 15 . 1 1 58 58 GLY H H 58 8.345 8.345 8.299 0.046 18728 14528 1 15 . 1 1 59 59 PHE N N 59 115.179 115.179 115.666 -0.487 18728 14529 1 15 . 1 1 59 59 PHE HA H 59 5.645 5.645 5.404 0.241 18728 14530 1 15 . 1 1 59 59 PHE C C 59 174.929 174.929 174.205 0.724 18728 14531 1 15 . 1 1 59 59 PHE CA C 59 56.541 56.541 56.505 0.036 18728 14532 1 15 . 1 1 59 59 PHE CB C 59 43.984 43.984 43.740 0.244 18728 14533 1 15 . 1 1 59 59 PHE H H 59 8.903 8.903 8.576 0.327 18728 14534 1 15 . 1 1 60 60 VAL N N 60 115.310 115.310 116.338 -1.028 18728 14535 1 15 . 1 1 60 60 VAL HA H 60 4.540 4.540 4.836 -0.296 18728 14536 1 15 . 1 1 60 60 VAL C C 60 173.246 173.246 175.202 -1.956 18728 14537 1 15 . 1 1 60 60 VAL CA C 60 59.421 59.421 60.288 -0.868 18728 14538 1 15 . 1 1 60 60 VAL CB C 60 34.678 34.678 33.542 1.136 18728 14539 1 15 . 1 1 60 60 VAL H H 60 8.569 8.569 8.987 -0.418 18728 14540 1 15 . 1 1 61 61 THR N N 61 120.158 120.158 123.569 -3.411 18728 14541 1 15 . 1 1 61 61 THR HA H 61 5.068 5.068 4.763 0.305 18728 14542 1 15 . 1 1 61 61 THR C C 61 173.985 173.985 174.161 -0.176 18728 14543 1 15 . 1 1 61 61 THR CA C 61 61.033 61.033 62.429 -1.397 18728 14544 1 15 . 1 1 61 61 THR CB C 61 70.114 70.114 69.705 0.409 18728 14545 1 15 . 1 1 61 61 THR H H 61 8.180 8.180 8.801 -0.621 18728 14546 1 15 . 1 1 62 62 TYR N N 62 125.280 125.280 126.538 -1.258 18728 14547 1 15 . 1 1 62 62 TYR HA H 62 5.357 5.357 4.871 0.486 18728 14548 1 15 . 1 1 62 62 TYR C C 62 176.696 176.696 176.963 -0.267 18728 14549 1 15 . 1 1 62 62 TYR CA C 62 58.297 58.297 58.837 -0.540 18728 14550 1 15 . 1 1 62 62 TYR CB C 62 42.217 42.217 40.065 2.152 18728 14551 1 15 . 1 1 62 62 TYR H H 62 8.407 8.407 9.133 -0.726 18728 14552 1 15 . 1 1 63 63 ALA N N 63 121.648 121.648 122.991 -1.343 18728 14553 1 15 . 1 1 63 63 ALA HA H 63 4.052 4.052 4.260 -0.208 18728 14554 1 15 . 1 1 63 63 ALA C C 63 178.252 178.252 177.588 0.664 18728 14555 1 15 . 1 1 63 63 ALA CA C 63 55.269 55.269 54.351 0.918 18728 14556 1 15 . 1 1 63 63 ALA CB C 63 19.068 19.068 19.534 -0.466 18728 14557 1 15 . 1 1 63 63 ALA H H 63 8.749 8.749 8.980 -0.231 18728 14558 1 15 . 1 1 64 64 THR N N 64 105.238 105.238 112.535 -7.297 18728 14559 1 15 . 1 1 64 64 THR HA H 64 4.902 4.902 4.794 0.108 18728 14560 1 15 . 1 1 64 64 THR C C 64 174.667 174.667 174.733 -0.066 18728 14561 1 15 . 1 1 64 64 THR CA C 64 59.184 59.184 60.482 -1.298 18728 14562 1 15 . 1 1 64 64 THR CB C 64 73.193 73.193 72.117 1.076 18728 14563 1 15 . 1 1 64 64 THR H H 64 7.992 7.992 8.132 -0.140 18728 14564 1 15 . 1 1 65 65 VAL N N 65 120.939 120.939 123.703 -2.764 18728 14565 1 15 . 1 1 65 65 VAL HA H 65 3.670 3.670 3.766 -0.096 18728 14566 1 15 . 1 1 65 65 VAL C C 65 177.446 177.446 176.977 0.469 18728 14567 1 15 . 1 1 65 65 VAL CA C 65 65.535 65.535 65.237 0.298 18728 14568 1 15 . 1 1 65 65 VAL CB C 65 31.538 31.538 32.063 -0.525 18728 14569 1 15 . 1 1 65 65 VAL H H 65 8.968 8.968 8.785 0.183 18728 14570 1 15 . 1 1 66 66 GLU N N 66 120.818 120.818 118.812 2.006 18728 14571 1 15 . 1 1 66 66 GLU HA H 66 4.045 4.045 3.889 0.156 18728 14572 1 15 . 1 1 66 66 GLU C C 66 180.056 180.056 178.828 1.228 18728 14573 1 15 . 1 1 66 66 GLU CA C 66 60.430 60.430 60.080 0.351 18728 14574 1 15 . 1 1 66 66 GLU CB C 66 28.909 28.909 28.919 -0.010 18728 14575 1 15 . 1 1 66 66 GLU H H 66 8.686 8.686 8.883 -0.197 18728 14576 1 15 . 1 1 67 67 GLU N N 67 120.729 120.729 118.516 2.213 18728 14577 1 15 . 1 1 67 67 GLU HA H 67 3.853 3.853 4.066 -0.213 18728 14578 1 15 . 1 1 67 67 GLU C C 67 177.040 177.040 178.712 -1.672 18728 14579 1 15 . 1 1 67 67 GLU CA C 67 59.391 59.391 58.626 0.765 18728 14580 1 15 . 1 1 67 67 GLU CB C 67 29.590 29.590 29.551 0.039 18728 14581 1 15 . 1 1 67 67 GLU H H 67 7.487 7.487 7.470 0.017 18728 14582 1 15 . 1 1 68 68 VAL N N 68 118.408 118.408 119.911 -1.503 18728 14583 1 15 . 1 1 68 68 VAL HA H 68 3.165 3.165 2.931 0.234 18728 14584 1 15 . 1 1 68 68 VAL C C 68 178.293 178.293 177.357 0.936 18728 14585 1 15 . 1 1 68 68 VAL CA C 68 66.391 66.391 66.605 -0.214 18728 14586 1 15 . 1 1 68 68 VAL CB C 68 31.092 31.092 31.748 -0.656 18728 14587 1 15 . 1 1 68 68 VAL H H 68 6.882 6.882 7.105 -0.223 18728 14588 1 15 . 1 1 69 69 ASP N N 69 119.356 119.356 119.904 -0.548 18728 14589 1 15 . 1 1 69 69 ASP HA H 69 4.128 4.128 4.222 -0.094 18728 14590 1 15 . 1 1 69 69 ASP C C 69 178.765 178.765 178.037 0.728 18728 14591 1 15 . 1 1 69 69 ASP CA C 69 57.394 57.394 57.666 -0.272 18728 14592 1 15 . 1 1 69 69 ASP CB C 69 39.879 39.879 40.784 -0.905 18728 14593 1 15 . 1 1 69 69 ASP H H 69 8.109 8.109 7.881 0.228 18728 14594 1 15 . 1 1 70 70 ALA N N 70 123.031 123.031 121.298 1.733 18728 14595 1 15 . 1 1 70 70 ALA HA H 70 4.070 4.070 4.015 0.055 18728 14596 1 15 . 1 1 70 70 ALA C C 70 180.518 180.518 179.289 1.229 18728 14597 1 15 . 1 1 70 70 ALA CA C 70 55.209 55.209 55.204 0.005 18728 14598 1 15 . 1 1 70 70 ALA CB C 70 18.104 18.104 18.287 -0.183 18728 14599 1 15 . 1 1 70 70 ALA H H 70 7.736 7.736 7.689 0.047 18728 14600 1 15 . 1 1 71 71 ALA N N 71 121.446 121.446 119.129 2.317 18728 14601 1 15 . 1 1 71 71 ALA HA H 71 3.034 3.034 3.868 -0.834 18728 14602 1 15 . 1 1 71 71 ALA C C 71 182.248 182.248 179.875 2.373 18728 14603 1 15 . 1 1 71 71 ALA CA C 71 55.251 55.251 54.565 0.686 18728 14604 1 15 . 1 1 71 71 ALA CB C 71 17.976 17.976 18.479 -0.503 18728 14605 1 15 . 1 1 71 71 ALA H H 71 8.101 8.101 7.090 1.011 18728 14606 1 15 . 1 1 72 72 MET N N 72 118.027 118.027 117.515 0.512 18728 14607 1 15 . 1 1 72 72 MET HA H 72 4.430 4.430 4.294 0.136 18728 14608 1 15 . 1 1 72 72 MET C C 72 179.409 179.409 178.122 1.287 18728 14609 1 15 . 1 1 72 72 MET CA C 72 56.379 56.379 57.806 -1.427 18728 14610 1 15 . 1 1 72 72 MET CB C 72 30.498 30.498 32.263 -1.765 18728 14611 1 15 . 1 1 72 72 MET H H 72 8.681 8.681 8.349 0.332 18728 14612 1 15 . 1 1 73 73 ASN N N 73 119.415 119.415 116.387 3.028 18728 14613 1 15 . 1 1 73 73 ASN HA H 73 4.627 4.627 4.682 -0.055 18728 14614 1 15 . 1 1 73 73 ASN C C 73 175.014 175.014 176.076 -1.062 18728 14615 1 15 . 1 1 73 73 ASN CA C 73 54.323 54.323 54.236 0.087 18728 14616 1 15 . 1 1 73 73 ASN CB C 73 38.468 38.468 38.940 -0.472 18728 14617 1 15 . 1 1 73 73 ASN H H 73 8.096 8.096 8.392 -0.296 18728 14618 1 15 . 1 1 74 74 ALA N N 74 122.253 122.253 121.178 1.075 18728 14619 1 15 . 1 1 74 74 ALA HA H 74 4.299 4.299 4.215 0.084 18728 14620 1 15 . 1 1 74 74 ALA C C 74 175.305 175.305 177.099 -1.794 18728 14621 1 15 . 1 1 74 74 ALA CA C 74 51.273 51.273 51.289 -0.016 18728 14622 1 15 . 1 1 74 74 ALA CB C 74 18.922 18.922 18.942 -0.020 18728 14623 1 15 . 1 1 74 74 ALA H H 74 6.966 6.966 7.060 -0.094 18728 14624 1 15 . 1 1 75 75 ARG N N 75 116.833 116.833 120.762 -3.929 18728 14625 1 15 . 1 1 75 75 ARG HA H 75 3.608 3.608 4.105 -0.497 18728 14626 1 15 . 1 1 75 75 ARG CA C 75 55.086 55.086 55.663 -0.577 18728 14627 1 15 . 1 1 75 75 ARG CB C 75 30.199 30.199 30.284 -0.085 18728 14628 1 15 . 1 1 75 75 ARG H H 75 6.749 6.749 7.233 -0.484 18728 14629 1 15 . 1 1 76 76 PRO HA H 76 4.434 4.434 4.558 -0.124 18728 14630 1 15 . 1 1 76 76 PRO C C 76 175.590 175.590 176.078 -0.488 18728 14631 1 15 . 1 1 76 76 PRO CA C 76 61.614 61.614 62.634 -1.020 18728 14632 1 15 . 1 1 76 76 PRO CB C 76 34.982 34.982 32.805 2.177 18728 14633 1 15 . 1 1 77 77 HIS N N 77 122.039 122.039 116.962 5.077 18728 14634 1 15 . 1 1 77 77 HIS HA H 77 4.559 4.559 4.876 -0.317 18728 14635 1 15 . 1 1 77 77 HIS C C 77 173.137 173.137 173.647 -0.510 18728 14636 1 15 . 1 1 77 77 HIS CA C 77 56.231 56.231 55.505 0.726 18728 14637 1 15 . 1 1 77 77 HIS CB C 77 32.909 32.909 33.900 -0.991 18728 14638 1 15 . 1 1 77 77 HIS H H 77 9.384 9.384 8.268 1.116 18728 14639 1 15 . 1 1 78 78 LYS N N 78 125.607 125.607 123.872 1.735 18728 14640 1 15 . 1 1 78 78 LYS HA H 78 4.939 4.939 5.276 -0.337 18728 14641 1 15 . 1 1 78 78 LYS C C 78 174.858 174.858 174.869 -0.011 18728 14642 1 15 . 1 1 78 78 LYS CA C 78 54.755 54.755 55.209 -0.454 18728 14643 1 15 . 1 1 78 78 LYS CB C 78 33.475 33.475 34.649 -1.174 18728 14644 1 15 . 1 1 78 78 LYS H H 78 8.485 8.485 8.606 -0.121 18728 14645 1 15 . 1 1 79 79 VAL N N 79 124.596 124.596 125.648 -1.052 18728 14646 1 15 . 1 1 79 79 VAL HA H 79 3.955 3.955 4.020 -0.065 18728 14647 1 15 . 1 1 79 79 VAL C C 79 176.295 176.295 175.941 0.354 18728 14648 1 15 . 1 1 79 79 VAL CA C 79 60.737 60.737 60.598 0.139 18728 14649 1 15 . 1 1 79 79 VAL CB C 79 33.249 33.249 32.458 0.791 18728 14650 1 15 . 1 1 79 79 VAL H H 79 8.581 8.581 8.120 0.461 18728 14651 1 15 . 1 1 80 80 ASP N N 80 128.668 128.668 126.489 2.179 18728 14652 1 15 . 1 1 80 80 ASP HA H 80 4.228 4.228 4.321 -0.093 18728 14653 1 15 . 1 1 80 80 ASP C C 80 175.744 175.744 176.024 -0.280 18728 14654 1 15 . 1 1 80 80 ASP CA C 80 55.882 55.882 54.995 0.887 18728 14655 1 15 . 1 1 80 80 ASP CB C 80 39.692 39.692 40.467 -0.775 18728 14656 1 15 . 1 1 80 80 ASP H H 80 9.553 9.553 9.196 0.357 18728 14657 1 15 . 1 1 81 81 GLY N N 81 101.527 101.527 103.504 -1.977 18728 14658 1 15 . 1 1 81 81 GLY C C 81 173.560 173.560 173.554 0.006 18728 14659 1 15 . 1 1 81 81 GLY CA C 81 45.445 45.445 45.563 -0.118 18728 14660 1 15 . 1 1 81 81 GLY H H 81 8.488 8.488 8.553 -0.065 18728 14661 1 15 . 1 1 82 82 ARG N N 82 120.493 120.493 119.580 0.913 18728 14662 1 15 . 1 1 82 82 ARG HA H 82 4.640 4.640 4.639 0.001 18728 14663 1 15 . 1 1 82 82 ARG C C 82 174.512 174.512 174.702 -0.190 18728 14664 1 15 . 1 1 82 82 ARG CA C 82 53.161 53.161 54.325 -1.164 18728 14665 1 15 . 1 1 82 82 ARG CB C 82 32.507 32.507 33.181 -0.674 18728 14666 1 15 . 1 1 82 82 ARG H H 82 7.555 7.555 7.220 0.335 18728 14667 1 15 . 1 1 83 83 VAL N N 83 124.855 124.855 126.841 -1.986 18728 14668 1 15 . 1 1 83 83 VAL HA H 83 4.501 4.501 4.421 0.080 18728 14669 1 15 . 1 1 83 83 VAL C C 83 176.701 176.701 175.502 1.199 18728 14670 1 15 . 1 1 83 83 VAL CA C 83 63.290 63.290 62.305 0.985 18728 14671 1 15 . 1 1 83 83 VAL CB C 83 30.867 30.867 31.056 -0.189 18728 14672 1 15 . 1 1 83 83 VAL H H 83 8.633 8.633 8.591 0.042 18728 14673 1 15 . 1 1 84 84 VAL N N 84 122.944 122.944 124.099 -1.155 18728 14674 1 15 . 1 1 84 84 VAL HA H 84 4.667 4.667 4.987 -0.320 18728 14675 1 15 . 1 1 84 84 VAL C C 84 174.969 174.969 174.591 0.378 18728 14676 1 15 . 1 1 84 84 VAL CA C 84 59.499 59.499 59.081 0.418 18728 14677 1 15 . 1 1 84 84 VAL CB C 84 32.761 32.761 34.316 -1.555 18728 14678 1 15 . 1 1 84 84 VAL H H 84 8.391 8.391 8.813 -0.422 18728 14679 1 15 . 1 1 85 85 GLU N N 85 120.907 120.907 123.711 -2.804 18728 14680 1 15 . 1 1 85 85 GLU HA H 85 5.087 5.087 4.958 0.129 18728 14681 1 15 . 1 1 85 85 GLU CA C 85 52.949 52.949 52.384 0.565 18728 14682 1 15 . 1 1 85 85 GLU CB C 85 31.367 31.367 31.923 -0.556 18728 14683 1 15 . 1 1 85 85 GLU H H 85 8.681 8.681 9.048 -0.367 18728 14684 1 15 . 1 1 86 86 PRO HA H 86 5.383 5.383 5.363 0.020 18728 14685 1 15 . 1 1 86 86 PRO C C 86 175.908 175.908 175.979 -0.071 18728 14686 1 15 . 1 1 86 86 PRO CA C 86 61.444 61.444 62.534 -1.090 18728 14687 1 15 . 1 1 86 86 PRO CB C 86 32.657 32.657 33.094 -0.437 18728 14688 1 15 . 1 1 87 87 LYS N N 87 121.252 121.252 120.235 1.017 18728 14689 1 15 . 1 1 87 87 LYS HA H 87 4.688 4.688 5.073 -0.385 18728 14690 1 15 . 1 1 87 87 LYS C C 87 175.676 175.676 176.340 -0.664 18728 14691 1 15 . 1 1 87 87 LYS CA C 87 55.101 55.101 53.441 1.660 18728 14692 1 15 . 1 1 87 87 LYS CB C 87 36.608 36.608 36.773 -0.165 18728 14693 1 15 . 1 1 87 87 LYS H H 87 9.397 9.397 8.927 0.470 18728 14694 1 15 . 1 1 88 88 ARG N N 88 123.272 123.272 121.170 2.102 18728 14695 1 15 . 1 1 88 88 ARG HA H 88 4.375 4.375 4.497 -0.122 18728 14696 1 15 . 1 1 88 88 ARG C C 88 177.011 177.011 176.561 0.450 18728 14697 1 15 . 1 1 88 88 ARG CA C 88 57.209 57.209 55.431 1.778 18728 14698 1 15 . 1 1 88 88 ARG CB C 88 30.452 30.452 31.090 -0.638 18728 14699 1 15 . 1 1 88 88 ARG H H 88 8.940 8.940 8.988 -0.048 18728 14700 1 15 . 1 1 89 89 ALA N N 89 126.260 126.260 130.540 -4.280 18728 14701 1 15 . 1 1 89 89 ALA HA H 89 4.259 4.259 4.603 -0.344 18728 14702 1 15 . 1 1 89 89 ALA C C 89 177.452 177.452 176.485 0.967 18728 14703 1 15 . 1 1 89 89 ALA CA C 89 53.712 53.712 51.905 1.807 18728 14704 1 15 . 1 1 89 89 ALA CB C 89 18.824 18.824 18.227 0.597 18728 14705 1 15 . 1 1 89 89 ALA H H 89 8.424 8.424 8.484 -0.060 18728 14706 1 15 . 1 1 90 90 VAL N N 90 115.835 115.835 122.893 -7.058 18728 14707 1 15 . 1 1 90 90 VAL HA H 90 4.182 4.182 4.018 0.165 18728 14708 1 15 . 1 1 90 90 VAL C C 90 175.397 175.397 175.832 -0.435 18728 14709 1 15 . 1 1 90 90 VAL CA C 90 61.516 61.516 62.555 -1.039 18728 14710 1 15 . 1 1 90 90 VAL CB C 90 33.448 33.448 33.129 0.320 18728 14711 1 15 . 1 1 90 90 VAL H H 90 7.892 7.892 7.736 0.156 18728 14712 1 15 . 1 1 91 91 SER N N 91 119.224 119.224 118.921 0.303 18728 14713 1 15 . 1 1 91 91 SER HA H 91 4.420 4.420 4.320 0.100 18728 14714 1 15 . 1 1 91 91 SER CA C 91 57.888 57.888 59.417 -1.529 18728 14715 1 15 . 1 1 91 91 SER CB C 91 63.788 63.788 63.942 -0.154 18728 14716 1 15 . 1 1 91 91 SER H H 91 8.327 8.327 8.725 -0.398 18728 14717 1 15 . 1 1 92 92 ARG HA H 92 4.231 4.231 3.951 0.280 18728 14718 1 15 . 1 1 92 92 ARG C C 92 176.651 176.651 177.943 -1.292 18728 14719 1 15 . 1 1 92 92 ARG CA C 92 56.671 56.671 59.633 -2.962 18728 14720 1 15 . 1 1 92 92 ARG CB C 92 30.776 30.776 30.057 0.719 18728 14721 1 15 . 1 1 92 92 ARG H H 92 8.425 8.425 8.740 -0.315 18728 14722 1 15 . 1 1 93 93 GLU N N 93 121.483 121.483 117.815 3.668 18728 14723 1 15 . 1 1 93 93 GLU HA H 93 4.181 4.181 4.067 0.114 18728 14724 1 15 . 1 1 93 93 GLU C C 93 176.605 176.605 179.066 -2.461 18728 14725 1 15 . 1 1 93 93 GLU CA C 93 57.185 57.185 59.133 -1.948 18728 14726 1 15 . 1 1 93 93 GLU CB C 93 30.015 30.015 29.241 0.774 18728 14727 1 15 . 1 1 93 93 GLU H H 93 8.503 8.503 8.448 0.055 18728 14728 1 15 . 1 1 94 94 ASP N N 94 121.305 121.305 119.672 1.633 18728 14729 1 15 . 1 1 94 94 ASP HA H 94 4.540 4.540 4.431 0.109 18728 14730 1 15 . 1 1 94 94 ASP C C 94 176.744 176.744 178.777 -2.033 18728 14731 1 15 . 1 1 94 94 ASP CA C 94 54.678 54.678 56.468 -1.790 18728 14732 1 15 . 1 1 94 94 ASP CB C 94 41.183 41.183 40.833 0.350 18728 14733 1 15 . 1 1 94 94 ASP H H 94 8.229 8.229 7.865 0.364 18728 14734 1 15 . 1 1 95 95 SER N N 95 115.787 115.787 114.261 1.526 18728 14735 1 15 . 1 1 95 95 SER HA H 95 4.286 4.286 3.969 0.317 18728 14736 1 15 . 1 1 95 95 SER C C 95 174.602 174.602 175.274 -0.672 18728 14737 1 15 . 1 1 95 95 SER CA C 95 58.957 58.957 60.363 -1.406 18728 14738 1 15 . 1 1 95 95 SER CB C 95 64.524 64.524 63.018 1.506 18728 14739 1 15 . 1 1 95 95 SER H H 95 8.109 8.109 8.061 0.048 18728 14740 1 15 . 1 1 96 96 GLN N N 96 120.796 120.796 118.432 2.364 18728 14741 1 15 . 1 1 96 96 GLN HA H 96 4.297 4.297 4.294 0.003 18728 14742 1 15 . 1 1 96 96 GLN C C 96 175.742 175.742 175.825 -0.083 18728 14743 1 15 . 1 1 96 96 GLN CA C 96 55.721 55.721 55.494 0.227 18728 14744 1 15 . 1 1 96 96 GLN CB C 96 29.313 29.313 29.609 -0.296 18728 14745 1 15 . 1 1 96 96 GLN H H 96 8.161 8.161 7.313 0.848 18728 14746 1 15 . 1 1 97 97 ARG N N 97 122.462 122.462 120.762 1.700 18728 14747 1 15 . 1 1 97 97 ARG HA H 97 4.552 4.552 4.661 -0.109 18728 14748 1 15 . 1 1 97 97 ARG CA C 97 54.096 54.096 52.718 1.378 18728 14749 1 15 . 1 1 97 97 ARG CB C 97 30.115 30.115 29.099 1.016 18728 14750 1 15 . 1 1 97 97 ARG H H 97 8.029 8.029 7.683 0.346 18728 14751 1 15 . 1 1 98 98 PRO HA H 98 4.362 4.362 4.295 0.067 18728 14752 1 15 . 1 1 98 98 PRO C C 98 177.715 177.715 177.545 0.170 18728 14753 1 15 . 1 1 98 98 PRO CA C 98 63.592 63.592 63.705 -0.113 18728 14754 1 15 . 1 1 98 98 PRO CB C 98 31.955 31.955 31.230 0.725 18728 14755 1 15 . 1 1 99 99 GLY N N 99 109.572 109.572 112.958 -3.386 18728 14756 1 15 . 1 1 99 99 GLY C C 99 174.356 174.356 175.049 -0.693 18728 14757 1 15 . 1 1 99 99 GLY CA C 99 45.395 45.395 44.663 0.732 18728 14758 1 15 . 1 1 99 99 GLY H H 99 8.516 8.516 8.585 -0.069 18728 14759 1 15 . 1 1 100 100 ALA N N 100 123.418 123.418 123.199 0.219 18728 14760 1 15 . 1 1 100 100 ALA HA H 100 4.141 4.141 3.958 0.183 18728 14761 1 15 . 1 1 100 100 ALA CA C 100 53.160 53.160 53.826 -0.666 18728 14762 1 15 . 1 1 100 100 ALA CB C 100 19.185 19.185 19.079 0.106 18728 14763 1 15 . 1 1 100 100 ALA H H 100 8.015 8.015 7.330 0.685 18728 14764 1 15 . 1 1 101 101 HIS HA H 101 4.502 4.502 4.567 -0.065 18728 14765 1 15 . 1 1 101 101 HIS C C 101 175.102 175.102 174.394 0.708 18728 14766 1 15 . 1 1 101 101 HIS CA C 101 56.309 56.309 54.019 2.291 18728 14767 1 15 . 1 1 101 101 HIS CB C 101 30.450 30.450 28.359 2.091 18728 14768 1 15 . 1 1 102 102 LEU N N 102 122.495 122.495 118.550 3.945 18728 14769 1 15 . 1 1 102 102 LEU HA H 102 4.263 4.263 4.442 -0.179 18728 14770 1 15 . 1 1 102 102 LEU C C 102 177.020 177.020 178.175 -1.155 18728 14771 1 15 . 1 1 102 102 LEU CA C 102 54.934 54.934 53.922 1.012 18728 14772 1 15 . 1 1 102 102 LEU CB C 102 42.414 42.414 43.227 -0.813 18728 14773 1 15 . 1 1 102 102 LEU H H 102 7.774 7.774 7.119 0.655 18728 14774 1 15 . 1 1 103 103 THR N N 103 115.720 115.720 116.606 -0.886 18728 14775 1 15 . 1 1 103 103 THR HA H 103 4.220 4.220 4.229 -0.009 18728 14776 1 15 . 1 1 103 103 THR C C 103 174.185 174.185 173.784 0.401 18728 14777 1 15 . 1 1 103 103 THR CA C 103 60.917 60.917 61.649 -0.732 18728 14778 1 15 . 1 1 103 103 THR CB C 103 69.340 69.340 67.146 2.194 18728 14779 1 15 . 1 1 103 103 THR H H 103 8.001 8.001 8.442 -0.441 18728 14780 1 15 . 1 1 104 104 VAL N N 104 122.004 122.004 123.864 -1.860 18728 14781 1 15 . 1 1 104 104 VAL HA H 104 4.330 4.330 4.218 0.112 18728 14782 1 15 . 1 1 104 104 VAL C C 104 175.294 175.294 175.920 -0.626 18728 14783 1 15 . 1 1 104 104 VAL CA C 104 61.877 61.877 62.615 -0.738 18728 14784 1 15 . 1 1 104 104 VAL CB C 104 34.220 34.220 31.663 2.557 18728 14785 1 15 . 1 1 104 104 VAL H H 104 8.191 8.191 7.613 0.578 18728 14786 1 15 . 1 1 105 105 LYS N N 105 121.406 121.406 126.298 -4.892 18728 14787 1 15 . 1 1 105 105 LYS HA H 105 4.498 4.498 4.585 -0.087 18728 14788 1 15 . 1 1 105 105 LYS C C 105 173.482 173.482 175.769 -2.287 18728 14789 1 15 . 1 1 105 105 LYS CA C 105 56.433 56.433 55.481 0.952 18728 14790 1 15 . 1 1 105 105 LYS CB C 105 33.245 33.245 32.967 0.278 18728 14791 1 15 . 1 1 105 105 LYS H H 105 8.672 8.672 8.466 0.206 18728 14792 1 15 . 1 1 106 106 LYS N N 106 121.756 121.756 119.838 1.918 18728 14793 1 15 . 1 1 106 106 LYS HA H 106 5.623 5.623 5.576 0.047 18728 14794 1 15 . 1 1 106 106 LYS C C 106 175.153 175.153 175.345 -0.192 18728 14795 1 15 . 1 1 106 106 LYS CA C 106 54.537 54.537 54.749 -0.212 18728 14796 1 15 . 1 1 106 106 LYS CB C 106 37.407 37.407 36.168 1.239 18728 14797 1 15 . 1 1 106 106 LYS H H 106 7.134 7.134 7.699 -0.565 18728 14798 1 15 . 1 1 107 107 ILE N N 107 115.982 115.982 118.284 -2.302 18728 14799 1 15 . 1 1 107 107 ILE HA H 107 5.110 5.110 5.157 -0.047 18728 14800 1 15 . 1 1 107 107 ILE C C 107 174.525 174.525 174.075 0.450 18728 14801 1 15 . 1 1 107 107 ILE CA C 107 59.009 59.009 59.068 -0.059 18728 14802 1 15 . 1 1 107 107 ILE CB C 107 40.552 40.552 41.433 -0.881 18728 14803 1 15 . 1 1 107 107 ILE H H 107 8.948 8.948 8.684 0.264 18728 14804 1 15 . 1 1 108 108 PHE N N 108 124.182 124.182 124.999 -0.817 18728 14805 1 15 . 1 1 108 108 PHE HA H 108 4.696 4.696 4.327 0.369 18728 14806 1 15 . 1 1 108 108 PHE C C 108 173.422 173.422 173.362 0.060 18728 14807 1 15 . 1 1 108 108 PHE CA C 108 56.567 56.567 55.863 0.704 18728 14808 1 15 . 1 1 108 108 PHE CB C 108 41.596 41.596 41.554 0.042 18728 14809 1 15 . 1 1 108 108 PHE H H 108 9.103 9.103 8.943 0.160 18728 14810 1 15 . 1 1 109 109 VAL N N 109 126.956 126.956 126.859 0.097 18728 14811 1 15 . 1 1 109 109 VAL HA H 109 4.497 4.497 4.829 -0.332 18728 14812 1 15 . 1 1 109 109 VAL C C 109 174.097 174.097 174.214 -0.117 18728 14813 1 15 . 1 1 109 109 VAL CA C 109 60.493 60.493 59.882 0.611 18728 14814 1 15 . 1 1 109 109 VAL CB C 109 33.266 33.266 32.879 0.387 18728 14815 1 15 . 1 1 109 109 VAL H H 109 8.338 8.338 8.265 0.073 18728 14816 1 15 . 1 1 110 110 GLY N N 110 113.617 113.617 112.772 0.845 18728 14817 1 15 . 1 1 110 110 GLY C C 110 174.325 174.325 173.236 1.089 18728 14818 1 15 . 1 1 110 110 GLY CA C 110 44.011 44.011 43.437 0.574 18728 14819 1 15 . 1 1 110 110 GLY H H 110 9.173 9.173 8.717 0.456 18728 14820 1 15 . 1 1 111 111 GLY N N 111 106.411 106.411 110.393 -3.982 18728 14821 1 15 . 1 1 111 111 GLY CA C 111 46.359 46.359 45.075 1.284 18728 14822 1 15 . 1 1 111 111 GLY H H 111 8.221 8.221 8.798 -0.577 18728 14823 1 15 . 1 1 116 116 THR HA H 116 4.322 4.322 4.680 -0.358 18728 14824 1 15 . 1 1 116 116 THR C C 116 173.380 173.380 174.290 -0.910 18728 14825 1 15 . 1 1 116 116 THR CA C 116 63.000 63.000 61.893 1.107 18728 14826 1 15 . 1 1 117 117 GLU N N 117 130.298 130.298 126.136 4.162 18728 14827 1 15 . 1 1 117 117 GLU HA H 117 4.632 4.632 4.564 0.068 18728 14828 1 15 . 1 1 117 117 GLU C C 117 177.632 177.632 175.926 1.706 18728 14829 1 15 . 1 1 117 117 GLU CA C 117 53.853 53.853 54.036 -0.183 18728 14830 1 15 . 1 1 117 117 GLU CB C 117 32.977 32.977 31.408 1.569 18728 14831 1 15 . 1 1 117 117 GLU H H 117 11.190 11.190 8.613 2.577 18728 14832 1 15 . 1 1 118 118 GLU N N 118 122.126 122.126 121.711 0.415 18728 14833 1 15 . 1 1 118 118 GLU HA H 118 3.627 3.627 3.936 -0.309 18728 14834 1 15 . 1 1 118 118 GLU C C 118 179.294 179.294 178.336 0.958 18728 14835 1 15 . 1 1 118 118 GLU CA C 118 61.689 61.689 60.031 1.658 18728 14836 1 15 . 1 1 118 118 GLU CB C 118 29.075 29.075 29.442 -0.367 18728 14837 1 15 . 1 1 118 118 GLU H H 118 9.339 9.339 8.775 0.564 18728 14838 1 15 . 1 1 119 119 HIS N N 119 113.514 113.514 115.332 -1.818 18728 14839 1 15 . 1 1 119 119 HIS HA H 119 4.265 4.265 4.411 -0.146 18728 14840 1 15 . 1 1 119 119 HIS C C 119 176.566 176.566 178.090 -1.524 18728 14841 1 15 . 1 1 119 119 HIS CA C 119 58.917 58.917 58.650 0.267 18728 14842 1 15 . 1 1 119 119 HIS CB C 119 28.187 28.187 29.381 -1.194 18728 14843 1 15 . 1 1 119 119 HIS H H 119 8.240 8.240 8.404 -0.164 18728 14844 1 15 . 1 1 120 120 HIS N N 120 118.629 118.629 119.320 -0.691 18728 14845 1 15 . 1 1 120 120 HIS HA H 120 4.332 4.332 4.285 0.047 18728 14846 1 15 . 1 1 120 120 HIS C C 120 179.713 179.713 177.504 2.209 18728 14847 1 15 . 1 1 120 120 HIS CA C 120 60.310 60.310 58.766 1.544 18728 14848 1 15 . 1 1 120 120 HIS CB C 120 32.233 32.233 30.018 2.215 18728 14849 1 15 . 1 1 120 120 HIS H H 120 6.474 6.474 7.392 -0.918 18728 14850 1 15 . 1 1 121 121 LEU N N 121 117.249 117.249 115.885 1.364 18728 14851 1 15 . 1 1 121 121 LEU HA H 121 4.179 4.179 4.384 -0.205 18728 14852 1 15 . 1 1 121 121 LEU C C 121 178.020 178.020 178.332 -0.312 18728 14853 1 15 . 1 1 121 121 LEU CA C 121 57.924 57.924 57.244 0.680 18728 14854 1 15 . 1 1 121 121 LEU CB C 121 42.577 42.577 41.841 0.736 18728 14855 1 15 . 1 1 121 121 LEU H H 121 7.132 7.132 7.661 -0.529 18728 14856 1 15 . 1 1 122 122 ARG N N 122 121.766 121.766 121.492 0.274 18728 14857 1 15 . 1 1 122 122 ARG HA H 122 3.741 3.741 4.098 -0.357 18728 14858 1 15 . 1 1 122 122 ARG C C 122 177.023 177.023 177.929 -0.906 18728 14859 1 15 . 1 1 122 122 ARG CA C 122 60.508 60.508 59.669 0.839 18728 14860 1 15 . 1 1 122 122 ARG CB C 122 30.256 30.256 29.704 0.552 18728 14861 1 15 . 1 1 122 122 ARG H H 122 8.759 8.759 8.716 0.043 18728 14862 1 15 . 1 1 123 123 ASP N N 123 116.299 116.299 118.374 -2.075 18728 14863 1 15 . 1 1 123 123 ASP HA H 123 4.294 4.294 4.586 -0.292 18728 14864 1 15 . 1 1 123 123 ASP C C 123 178.057 178.057 178.309 -0.252 18728 14865 1 15 . 1 1 123 123 ASP CA C 123 57.076 57.076 57.554 -0.478 18728 14866 1 15 . 1 1 123 123 ASP CB C 123 40.572 40.572 40.813 -0.241 18728 14867 1 15 . 1 1 123 123 ASP H H 123 8.423 8.423 8.040 0.383 18728 14868 1 15 . 1 1 124 124 TYR N N 124 115.172 115.172 120.698 -5.526 18728 14869 1 15 . 1 1 124 124 TYR HA H 124 4.338 4.338 4.179 0.159 18728 14870 1 15 . 1 1 124 124 TYR C C 124 177.688 177.688 178.187 -0.499 18728 14871 1 15 . 1 1 124 124 TYR CA C 124 61.660 61.660 61.438 0.222 18728 14872 1 15 . 1 1 124 124 TYR CB C 124 39.847 39.847 38.651 1.196 18728 14873 1 15 . 1 1 124 124 TYR H H 124 7.212 7.212 7.500 -0.288 18728 14874 1 15 . 1 1 125 125 PHE N N 125 113.932 113.932 117.557 -3.625 18728 14875 1 15 . 1 1 125 125 PHE HA H 125 4.515 4.515 4.321 0.194 18728 14876 1 15 . 1 1 125 125 PHE C C 125 178.209 178.209 178.367 -0.158 18728 14877 1 15 . 1 1 125 125 PHE CA C 125 63.404 63.404 61.414 1.990 18728 14878 1 15 . 1 1 125 125 PHE CB C 125 38.614 38.614 38.440 0.174 18728 14879 1 15 . 1 1 125 125 PHE H H 125 8.802 8.802 8.723 0.079 18728 14880 1 15 . 1 1 126 126 GLU N N 126 120.515 120.515 119.256 1.259 18728 14881 1 15 . 1 1 126 126 GLU HA H 126 4.884 4.884 4.429 0.455 18728 14882 1 15 . 1 1 126 126 GLU C C 126 177.936 177.936 177.403 0.533 18728 14883 1 15 . 1 1 126 126 GLU CA C 126 58.560 58.560 58.249 0.311 18728 14884 1 15 . 1 1 126 126 GLU CB C 126 28.516 28.516 29.260 -0.744 18728 14885 1 15 . 1 1 126 126 GLU H H 126 8.869 8.869 8.097 0.772 18728 14886 1 15 . 1 1 127 127 GLN N N 127 115.855 115.855 115.983 -0.128 18728 14887 1 15 . 1 1 127 127 GLN HA H 127 4.055 4.055 3.972 0.083 18728 14888 1 15 . 1 1 127 127 GLN C C 127 176.656 176.656 177.713 -1.057 18728 14889 1 15 . 1 1 127 127 GLN CA C 127 57.566 57.566 57.875 -0.309 18728 14890 1 15 . 1 1 127 127 GLN CB C 127 29.047 29.047 28.716 0.331 18728 14891 1 15 . 1 1 127 127 GLN H H 127 7.105 7.105 7.609 -0.504 18728 14892 1 15 . 1 1 128 128 TYR N N 128 116.626 116.626 116.388 0.238 18728 14893 1 15 . 1 1 128 128 TYR HA H 128 4.328 4.328 4.412 -0.084 18728 14894 1 15 . 1 1 128 128 TYR C C 128 175.596 175.596 175.342 0.254 18728 14895 1 15 . 1 1 128 128 TYR CA C 128 59.492 59.492 59.583 -0.091 18728 14896 1 15 . 1 1 128 128 TYR CB C 128 39.539 39.539 40.031 -0.492 18728 14897 1 15 . 1 1 128 128 TYR H H 128 7.950 7.950 7.832 0.118 18728 14898 1 15 . 1 1 129 129 GLY N N 129 107.386 107.386 102.578 4.808 18728 14899 1 15 . 1 1 129 129 GLY C C 129 170.407 170.407 172.022 -1.615 18728 14900 1 15 . 1 1 129 129 GLY CA C 129 44.819 44.819 45.304 -0.485 18728 14901 1 15 . 1 1 129 129 GLY H H 129 7.492 7.492 7.630 -0.138 18728 14902 1 15 . 1 1 130 130 LYS N N 130 117.786 117.786 121.283 -3.497 18728 14903 1 15 . 1 1 130 130 LYS HA H 130 4.315 4.315 4.419 -0.104 18728 14904 1 15 . 1 1 130 130 LYS C C 130 177.097 177.097 175.330 1.767 18728 14905 1 15 . 1 1 130 130 LYS CA C 130 56.938 56.938 56.199 0.739 18728 14906 1 15 . 1 1 130 130 LYS CB C 130 33.199 33.199 33.324 -0.125 18728 14907 1 15 . 1 1 130 130 LYS H H 130 8.135 8.135 8.620 -0.485 18728 14908 1 15 . 1 1 131 131 ILE N N 131 127.829 127.829 126.726 1.103 18728 14909 1 15 . 1 1 131 131 ILE HA H 131 3.681 3.681 3.799 -0.118 18728 14910 1 15 . 1 1 131 131 ILE C C 131 175.841 175.841 176.016 -0.175 18728 14911 1 15 . 1 1 131 131 ILE CA C 131 61.625 61.625 60.471 1.154 18728 14912 1 15 . 1 1 131 131 ILE CB C 131 40.441 40.441 39.293 1.148 18728 14913 1 15 . 1 1 131 131 ILE H H 131 8.917 8.917 8.535 0.382 18728 14914 1 15 . 1 1 132 132 GLU N N 132 128.437 128.437 127.996 0.441 18728 14915 1 15 . 1 1 132 132 GLU HA H 132 4.320 4.320 4.273 0.047 18728 14916 1 15 . 1 1 132 132 GLU C C 132 176.192 176.192 175.785 0.407 18728 14917 1 15 . 1 1 132 132 GLU CA C 132 57.816 57.816 58.295 -0.479 18728 14918 1 15 . 1 1 132 132 GLU CB C 132 31.670 31.670 30.950 0.720 18728 14919 1 15 . 1 1 132 132 GLU H H 132 9.136 9.136 8.608 0.528 18728 14920 1 15 . 1 1 133 133 VAL N N 133 115.096 115.096 116.525 -1.429 18728 14921 1 15 . 1 1 133 133 VAL HA H 133 4.316 4.316 4.252 0.064 18728 14922 1 15 . 1 1 133 133 VAL C C 133 172.860 172.860 173.756 -0.896 18728 14923 1 15 . 1 1 133 133 VAL CA C 133 61.258 61.258 61.029 0.229 18728 14924 1 15 . 1 1 133 133 VAL CB C 133 35.526 35.526 35.474 0.052 18728 14925 1 15 . 1 1 133 133 VAL H H 133 7.272 7.272 7.450 -0.178 18728 14926 1 15 . 1 1 134 134 ILE N N 134 126.870 126.870 125.067 1.803 18728 14927 1 15 . 1 1 134 134 ILE HA H 134 4.464 4.464 4.392 0.072 18728 14928 1 15 . 1 1 134 134 ILE C C 134 174.004 174.004 175.105 -1.101 18728 14929 1 15 . 1 1 134 134 ILE CA C 134 60.904 60.904 60.406 0.498 18728 14930 1 15 . 1 1 134 134 ILE CB C 134 40.408 40.408 39.811 0.597 18728 14931 1 15 . 1 1 134 134 ILE H H 134 8.566 8.566 8.646 -0.080 18728 14932 1 15 . 1 1 135 135 GLU N N 135 128.037 128.037 128.810 -0.773 18728 14933 1 15 . 1 1 135 135 GLU HA H 135 4.642 4.642 4.655 -0.013 18728 14934 1 15 . 1 1 135 135 GLU C C 135 174.883 174.883 174.888 -0.005 18728 14935 1 15 . 1 1 135 135 GLU CA C 135 54.640 54.640 55.357 -0.717 18728 14936 1 15 . 1 1 135 135 GLU CB C 135 33.259 33.259 30.703 2.556 18728 14937 1 15 . 1 1 135 135 GLU H H 135 9.019 9.019 8.810 0.209 18728 14938 1 15 . 1 1 136 136 ILE N N 136 126.668 126.668 125.736 0.932 18728 14939 1 15 . 1 1 136 136 ILE HA H 136 3.898 3.898 4.331 -0.433 18728 14940 1 15 . 1 1 136 136 ILE C C 136 176.157 176.157 175.468 0.689 18728 14941 1 15 . 1 1 136 136 ILE CA C 136 61.336 61.336 59.684 1.652 18728 14942 1 15 . 1 1 136 136 ILE CB C 136 37.397 37.397 37.755 -0.358 18728 14943 1 15 . 1 1 136 136 ILE H H 136 8.967 8.967 8.566 0.401 18728 14944 1 15 . 1 1 137 137 MET N N 137 126.115 126.115 128.678 -2.563 18728 14945 1 15 . 1 1 137 137 MET HA H 137 4.679 4.679 4.745 -0.066 18728 14946 1 15 . 1 1 137 137 MET C C 137 176.723 176.723 174.988 1.735 18728 14947 1 15 . 1 1 137 137 MET CA C 137 55.163 55.163 53.036 2.127 18728 14948 1 15 . 1 1 137 137 MET CB C 137 30.841 30.841 31.267 -0.426 18728 14949 1 15 . 1 1 137 137 MET H H 137 7.656 7.656 8.445 -0.789 18728 14950 1 15 . 1 1 138 138 THR N N 138 116.735 116.735 115.035 1.700 18728 14951 1 15 . 1 1 138 138 THR HA H 138 4.746 4.746 4.651 0.095 18728 14952 1 15 . 1 1 138 138 THR C C 138 173.642 173.642 173.229 0.413 18728 14953 1 15 . 1 1 138 138 THR CA C 138 60.385 60.385 60.141 0.244 18728 14954 1 15 . 1 1 138 138 THR CB C 138 72.028 72.028 71.999 0.030 18728 14955 1 15 . 1 1 138 138 THR H H 138 8.551 8.551 8.414 0.137 18728 14956 1 15 . 1 1 139 139 ASP N N 139 123.899 123.899 121.820 2.079 18728 14957 1 15 . 1 1 139 139 ASP HA H 139 4.677 4.677 4.701 -0.024 18728 14958 1 15 . 1 1 139 139 ASP CA C 139 53.728 53.728 53.248 0.480 18728 14959 1 15 . 1 1 139 139 ASP CB C 139 42.270 42.270 42.153 0.117 18728 14960 1 15 . 1 1 139 139 ASP H H 139 8.818 8.818 8.723 0.095 18728 14961 1 15 . 1 1 140 140 ARG HA H 140 4.037 4.037 4.174 -0.137 18728 14962 1 15 . 1 1 140 140 ARG C C 140 177.886 177.886 177.516 0.370 18728 14963 1 15 . 1 1 140 140 ARG CB C 140 29.886 29.886 29.803 0.083 18728 14964 1 15 . 1 1 141 141 GLY N N 141 107.951 107.951 106.766 1.185 18728 14965 1 15 . 1 1 141 141 GLY C C 141 174.861 174.861 175.232 -0.371 18728 14966 1 15 . 1 1 141 141 GLY CA C 141 46.490 46.490 45.975 0.515 18728 14967 1 15 . 1 1 141 141 GLY H H 141 8.635 8.635 8.307 0.328 18728 14968 1 15 . 1 1 142 142 SER N N 142 114.044 114.044 116.269 -2.225 18728 14969 1 15 . 1 1 142 142 SER HA H 142 4.533 4.533 4.546 -0.013 18728 14970 1 15 . 1 1 142 142 SER C C 142 176.080 176.080 175.136 0.944 18728 14971 1 15 . 1 1 142 142 SER CA C 142 58.429 58.429 58.528 -0.099 18728 14972 1 15 . 1 1 142 142 SER CB C 142 65.439 65.439 64.459 0.980 18728 14973 1 15 . 1 1 142 142 SER H H 142 8.034 8.034 8.905 -0.871 18728 14974 1 15 . 1 1 143 143 GLY N N 143 112.348 112.348 109.447 2.901 18728 14975 1 15 . 1 1 143 143 GLY C C 143 173.949 173.949 173.849 0.100 18728 14976 1 15 . 1 1 143 143 GLY CA C 143 45.703 45.703 45.266 0.437 18728 14977 1 15 . 1 1 143 143 GLY H H 143 8.363 8.363 8.342 0.021 18728 14978 1 15 . 1 1 144 144 LYS N N 144 119.966 119.966 120.665 -0.699 18728 14979 1 15 . 1 1 144 144 LYS HA H 144 4.273 4.273 4.549 -0.276 18728 14980 1 15 . 1 1 144 144 LYS C C 144 176.969 176.969 176.422 0.547 18728 14981 1 15 . 1 1 144 144 LYS CA C 144 56.145 56.145 54.035 2.110 18728 14982 1 15 . 1 1 144 144 LYS CB C 144 33.378 33.378 33.657 -0.279 18728 14983 1 15 . 1 1 144 144 LYS H H 144 7.786 7.786 7.568 0.218 18728 14984 1 15 . 1 1 145 145 LYS N N 145 123.668 123.668 123.788 -0.120 18728 14985 1 15 . 1 1 145 145 LYS HA H 145 4.187 4.187 4.138 0.049 18728 14986 1 15 . 1 1 145 145 LYS C C 145 177.498 177.498 177.023 0.475 18728 14987 1 15 . 1 1 145 145 LYS CA C 145 57.392 57.392 57.385 0.007 18728 14988 1 15 . 1 1 145 145 LYS CB C 145 32.577 32.577 32.642 -0.065 18728 14989 1 15 . 1 1 145 145 LYS H H 145 8.968 8.968 8.616 0.352 18728 14990 1 15 . 1 1 146 146 ARG N N 146 119.700 119.700 124.013 -4.313 18728 14991 1 15 . 1 1 146 146 ARG HA H 146 4.294 4.294 4.341 -0.047 18728 14992 1 15 . 1 1 146 146 ARG CA C 146 56.365 56.365 54.599 1.766 18728 14993 1 15 . 1 1 146 146 ARG CB C 146 30.786 30.786 29.554 1.232 18728 14994 1 15 . 1 1 146 146 ARG H H 146 8.095 8.095 8.259 -0.164 18728 14995 1 15 . 1 1 147 147 GLY N N 147 110.572 110.572 107.544 3.028 18728 14996 1 15 . 1 1 147 147 GLY C C 147 173.384 173.384 173.226 0.158 18728 14997 1 15 . 1 1 147 147 GLY CA C 147 45.440 45.440 45.581 -0.141 18728 14998 1 15 . 1 1 147 147 GLY H H 147 8.401 8.401 8.605 -0.204 18728 14999 1 15 . 1 1 148 148 PHE N N 148 114.199 114.199 114.122 0.077 18728 15000 1 15 . 1 1 148 148 PHE HA H 148 5.194 5.194 5.509 -0.315 18728 15001 1 15 . 1 1 148 148 PHE C C 148 172.409 172.409 172.762 -0.353 18728 15002 1 15 . 1 1 148 148 PHE CA C 148 55.282 55.282 55.147 0.135 18728 15003 1 15 . 1 1 148 148 PHE CB C 148 41.869 41.869 41.169 0.701 18728 15004 1 15 . 1 1 148 148 PHE H H 148 7.255 7.255 7.046 0.209 18728 15005 1 15 . 1 1 149 149 ALA N N 149 121.427 121.427 120.607 0.820 18728 15006 1 15 . 1 1 149 149 ALA HA H 149 4.966 4.966 4.849 0.117 18728 15007 1 15 . 1 1 149 149 ALA C C 149 174.084 174.084 174.564 -0.480 18728 15008 1 15 . 1 1 149 149 ALA CA C 149 49.755 49.755 50.684 -0.930 18728 15009 1 15 . 1 1 149 149 ALA CB C 149 25.094 25.094 22.657 2.437 18728 15010 1 15 . 1 1 149 149 ALA H H 149 8.786 8.786 8.884 -0.098 18728 15011 1 15 . 1 1 150 150 PHE N N 150 114.425 114.425 115.916 -1.491 18728 15012 1 15 . 1 1 150 150 PHE HA H 150 5.874 5.874 5.578 0.296 18728 15013 1 15 . 1 1 150 150 PHE C C 150 176.196 176.196 174.578 1.618 18728 15014 1 15 . 1 1 150 150 PHE CA C 150 56.070 56.070 57.056 -0.986 18728 15015 1 15 . 1 1 150 150 PHE CB C 150 43.251 43.251 44.513 -1.262 18728 15016 1 15 . 1 1 150 150 PHE H H 150 8.689 8.689 9.058 -0.369 18728 15017 1 15 . 1 1 151 151 VAL N N 151 122.489 122.489 120.977 1.512 18728 15018 1 15 . 1 1 151 151 VAL HA H 151 4.375 4.375 4.461 -0.086 18728 15019 1 15 . 1 1 151 151 VAL C C 151 173.932 173.932 174.721 -0.789 18728 15020 1 15 . 1 1 151 151 VAL CA C 151 61.454 61.454 61.373 0.081 18728 15021 1 15 . 1 1 151 151 VAL CB C 151 33.869 33.869 35.353 -1.484 18728 15022 1 15 . 1 1 151 151 VAL H H 151 8.559 8.559 8.739 -0.180 18728 15023 1 15 . 1 1 152 152 THR N N 152 123.112 123.112 122.659 0.453 18728 15024 1 15 . 1 1 152 152 THR HA H 152 4.995 4.995 4.984 0.011 18728 15025 1 15 . 1 1 152 152 THR C C 152 174.047 174.047 173.781 0.266 18728 15026 1 15 . 1 1 152 152 THR CA C 152 61.931 61.931 62.392 -0.461 18728 15027 1 15 . 1 1 152 152 THR CB C 152 69.689 69.689 70.018 -0.329 18728 15028 1 15 . 1 1 152 152 THR H H 152 8.723 8.723 8.761 -0.038 18728 15029 1 15 . 1 1 153 153 PHE N N 153 127.746 127.746 126.662 1.084 18728 15030 1 15 . 1 1 153 153 PHE HA H 153 4.840 4.840 4.696 0.144 18728 15031 1 15 . 1 1 153 153 PHE C C 153 174.720 174.720 174.788 -0.068 18728 15032 1 15 . 1 1 153 153 PHE CA C 153 58.098 58.098 58.118 -0.020 18728 15033 1 15 . 1 1 153 153 PHE CB C 153 41.706 41.706 41.755 -0.049 18728 15034 1 15 . 1 1 153 153 PHE H H 153 9.368 9.368 9.261 0.107 18728 15035 1 15 . 1 1 154 154 ASP N N 154 118.371 118.371 119.288 -0.917 18728 15036 1 15 . 1 1 154 154 ASP HA H 154 4.486 4.486 4.741 -0.255 18728 15037 1 15 . 1 1 154 154 ASP C C 154 175.668 175.668 175.473 0.195 18728 15038 1 15 . 1 1 154 154 ASP CA C 154 56.114 56.114 56.059 0.055 18728 15039 1 15 . 1 1 154 154 ASP CB C 154 42.576 42.576 42.718 -0.142 18728 15040 1 15 . 1 1 154 154 ASP H H 154 8.196 8.196 8.714 -0.518 18728 15041 1 15 . 1 1 155 155 ASP N N 155 117.144 117.144 117.660 -0.516 18728 15042 1 15 . 1 1 155 155 ASP HA H 155 4.909 4.909 4.928 -0.019 18728 15043 1 15 . 1 1 155 155 ASP C C 155 176.392 176.392 176.229 0.163 18728 15044 1 15 . 1 1 155 155 ASP CA C 155 52.615 52.615 52.602 0.013 18728 15045 1 15 . 1 1 155 155 ASP CB C 155 44.471 44.471 44.104 0.367 18728 15046 1 15 . 1 1 155 155 ASP H H 155 8.323 8.323 7.846 0.477 18728 15047 1 15 . 1 1 156 156 HIS N N 156 121.508 121.508 121.921 -0.413 18728 15048 1 15 . 1 1 156 156 HIS HA H 156 4.336 4.336 4.565 -0.229 18728 15049 1 15 . 1 1 156 156 HIS C C 156 176.855 176.855 176.342 0.513 18728 15050 1 15 . 1 1 156 156 HIS CA C 156 58.593 58.593 57.475 1.118 18728 15051 1 15 . 1 1 156 156 HIS CB C 156 29.703 29.703 29.616 0.087 18728 15052 1 15 . 1 1 156 156 HIS H H 156 8.492 8.492 8.566 -0.074 18728 15053 1 15 . 1 1 157 157 ASP N N 157 122.539 122.539 119.966 2.573 18728 15054 1 15 . 1 1 157 157 ASP HA H 157 4.254 4.254 4.326 -0.072 18728 15055 1 15 . 1 1 157 157 ASP C C 157 178.233 178.233 178.227 0.006 18728 15056 1 15 . 1 1 157 157 ASP CA C 157 57.047 57.047 57.573 -0.526 18728 15057 1 15 . 1 1 157 157 ASP CB C 157 40.875 40.875 40.635 0.240 18728 15058 1 15 . 1 1 157 157 ASP H H 157 8.345 8.345 8.203 0.142 18728 15059 1 15 . 1 1 158 158 SER N N 158 113.623 113.623 113.789 -0.166 18728 15060 1 15 . 1 1 158 158 SER HA H 158 3.899 3.899 4.219 -0.320 18728 15061 1 15 . 1 1 158 158 SER C C 158 174.750 174.750 175.949 -1.199 18728 15062 1 15 . 1 1 158 158 SER CA C 158 61.914 61.914 61.257 0.657 18728 15063 1 15 . 1 1 158 158 SER CB C 158 63.088 63.088 62.587 0.501 18728 15064 1 15 . 1 1 158 158 SER H H 158 7.424 7.424 7.640 -0.216 18728 15065 1 15 . 1 1 159 159 VAL N N 159 118.448 118.448 122.669 -4.221 18728 15066 1 15 . 1 1 159 159 VAL HA H 159 2.913 2.913 3.242 -0.329 18728 15067 1 15 . 1 1 159 159 VAL C C 159 177.269 177.269 177.084 0.185 18728 15068 1 15 . 1 1 159 159 VAL CA C 159 66.512 66.512 65.992 0.520 18728 15069 1 15 . 1 1 159 159 VAL CB C 159 31.395 31.395 31.601 -0.206 18728 15070 1 15 . 1 1 159 159 VAL H H 159 6.484 6.484 7.134 -0.650 18728 15071 1 15 . 1 1 160 160 ASP N N 160 119.064 119.064 119.921 -0.857 18728 15072 1 15 . 1 1 160 160 ASP HA H 160 4.275 4.275 4.307 -0.032 18728 15073 1 15 . 1 1 160 160 ASP C C 160 178.284 178.284 178.348 -0.064 18728 15074 1 15 . 1 1 160 160 ASP CA C 160 57.798 57.798 57.783 0.015 18728 15075 1 15 . 1 1 160 160 ASP CB C 160 40.288 40.288 40.883 -0.595 18728 15076 1 15 . 1 1 160 160 ASP H H 160 7.663 7.663 8.367 -0.704 18728 15077 1 15 . 1 1 161 161 LYS N N 161 116.568 116.568 118.676 -2.108 18728 15078 1 15 . 1 1 161 161 LYS HA H 161 4.030 4.030 4.004 0.026 18728 15079 1 15 . 1 1 161 161 LYS C C 161 178.205 178.205 178.490 -0.285 18728 15080 1 15 . 1 1 161 161 LYS CA C 161 58.796 58.796 59.460 -0.664 18728 15081 1 15 . 1 1 161 161 LYS CB C 161 33.298 33.298 32.490 0.808 18728 15082 1 15 . 1 1 161 161 LYS H H 161 7.465 7.465 7.538 -0.073 18728 15083 1 15 . 1 1 162 162 ILE N N 162 119.457 119.457 117.817 1.640 18728 15084 1 15 . 1 1 162 162 ILE HA H 162 3.241 3.241 3.564 -0.323 18728 15085 1 15 . 1 1 162 162 ILE C C 162 179.129 179.129 178.157 0.972 18728 15086 1 15 . 1 1 162 162 ILE CA C 162 65.201 65.201 64.606 0.595 18728 15087 1 15 . 1 1 162 162 ILE CB C 162 39.170 39.170 38.394 0.776 18728 15088 1 15 . 1 1 162 162 ILE H H 162 7.367 7.367 7.134 0.233 18728 15089 1 15 . 1 1 163 163 VAL N N 163 109.705 109.705 116.405 -6.700 18728 15090 1 15 . 1 1 163 163 VAL HA H 163 4.093 4.093 4.004 0.089 18728 15091 1 15 . 1 1 163 163 VAL C C 163 176.685 176.685 176.940 -0.255 18728 15092 1 15 . 1 1 163 163 VAL CA C 163 64.137 64.137 64.835 -0.698 18728 15093 1 15 . 1 1 163 163 VAL CB C 163 30.720 30.720 31.504 -0.784 18728 15094 1 15 . 1 1 163 163 VAL H H 163 7.814 7.814 7.806 0.008 18728 15095 1 15 . 1 1 164 164 ILE N N 164 118.885 118.885 119.047 -0.162 18728 15096 1 15 . 1 1 164 164 ILE HA H 164 3.968 3.968 3.856 0.112 18728 15097 1 15 . 1 1 164 164 ILE C C 164 176.006 176.006 176.217 -0.211 18728 15098 1 15 . 1 1 164 164 ILE CA C 164 63.328 63.328 63.447 -0.119 18728 15099 1 15 . 1 1 164 164 ILE CB C 164 38.136 38.136 38.312 -0.176 18728 15100 1 15 . 1 1 164 164 ILE H H 164 6.979 6.979 7.192 -0.213 18728 15101 1 15 . 1 1 165 165 GLN N N 165 120.509 120.509 117.922 2.587 18728 15102 1 15 . 1 1 165 165 GLN HA H 165 4.472 4.472 4.448 0.024 18728 15103 1 15 . 1 1 165 165 GLN C C 165 174.808 174.808 175.133 -0.325 18728 15104 1 15 . 1 1 165 165 GLN CA C 165 54.743 54.743 54.608 0.135 18728 15105 1 15 . 1 1 165 165 GLN CB C 165 30.183 30.183 28.711 1.472 18728 15106 1 15 . 1 1 165 165 GLN H H 165 7.490 7.490 7.801 -0.311 18728 15107 1 15 . 1 1 166 166 LYS N N 166 122.953 122.953 123.977 -1.024 18728 15108 1 15 . 1 1 166 166 LYS HA H 166 3.992 3.992 4.079 -0.087 18728 15109 1 15 . 1 1 166 166 LYS C C 166 175.496 175.496 175.756 -0.260 18728 15110 1 15 . 1 1 166 166 LYS CA C 166 59.718 59.718 59.188 0.530 18728 15111 1 15 . 1 1 166 166 LYS CB C 166 33.115 33.115 33.071 0.044 18728 15112 1 15 . 1 1 166 166 LYS H H 166 8.085 8.085 8.717 -0.632 18728 15113 1 15 . 1 1 167 167 TYR N N 167 114.210 114.210 114.486 -0.276 18728 15114 1 15 . 1 1 167 167 TYR HA H 167 5.457 5.457 5.381 0.076 18728 15115 1 15 . 1 1 167 167 TYR C C 167 175.593 175.593 175.709 -0.116 18728 15116 1 15 . 1 1 167 167 TYR CA C 167 56.417 56.417 57.195 -0.778 18728 15117 1 15 . 1 1 167 167 TYR CB C 167 40.057 40.057 41.423 -1.366 18728 15118 1 15 . 1 1 167 167 TYR H H 167 7.740 7.740 7.645 0.095 18728 15119 1 15 . 1 1 168 168 HIS N N 168 122.617 122.617 121.538 1.079 18728 15120 1 15 . 1 1 168 168 HIS HA H 168 4.526 4.526 5.077 -0.551 18728 15121 1 15 . 1 1 168 168 HIS C C 168 174.213 174.213 174.255 -0.042 18728 15122 1 15 . 1 1 168 168 HIS CA C 168 55.233 55.233 55.016 0.218 18728 15123 1 15 . 1 1 168 168 HIS CB C 168 34.906 34.906 34.258 0.647 18728 15124 1 15 . 1 1 168 168 HIS H H 168 9.035 9.035 9.515 -0.480 18728 15125 1 15 . 1 1 169 169 THR N N 169 121.981 121.981 119.841 2.140 18728 15126 1 15 . 1 1 169 169 THR HA H 169 4.722 4.722 4.914 -0.192 18728 15127 1 15 . 1 1 169 169 THR C C 169 172.973 172.973 173.269 -0.296 18728 15128 1 15 . 1 1 169 169 THR CA C 169 61.620 61.620 62.401 -0.781 18728 15129 1 15 . 1 1 169 169 THR CB C 169 68.692 68.692 69.168 -0.476 18728 15130 1 15 . 1 1 169 169 THR H H 169 8.784 8.784 8.647 0.137 18728 15131 1 15 . 1 1 170 170 VAL N N 170 125.540 125.540 127.421 -1.881 18728 15132 1 15 . 1 1 170 170 VAL HA H 170 3.751 3.751 4.263 -0.512 18728 15133 1 15 . 1 1 170 170 VAL C C 170 175.997 175.997 174.676 1.321 18728 15134 1 15 . 1 1 170 170 VAL CA C 170 60.770 60.770 59.940 0.830 18728 15135 1 15 . 1 1 170 170 VAL CB C 170 34.216 34.216 34.581 -0.365 18728 15136 1 15 . 1 1 170 170 VAL H H 170 8.268 8.268 8.454 -0.186 18728 15137 1 15 . 1 1 171 171 ASN N N 171 126.811 126.811 125.739 1.072 18728 15138 1 15 . 1 1 171 171 ASN HA H 171 4.065 4.065 4.234 -0.169 18728 15139 1 15 . 1 1 171 171 ASN C C 171 174.266 174.266 175.251 -0.985 18728 15140 1 15 . 1 1 171 171 ASN CA C 171 53.184 53.184 53.691 -0.508 18728 15141 1 15 . 1 1 171 171 ASN CB C 171 37.436 37.436 37.809 -0.373 18728 15142 1 15 . 1 1 171 171 ASN H H 171 9.437 9.437 8.968 0.469 18728 15143 1 15 . 1 1 172 172 GLY N N 172 100.629 100.629 102.037 -1.408 18728 15144 1 15 . 1 1 172 172 GLY C C 172 173.335 173.335 173.614 -0.279 18728 15145 1 15 . 1 1 172 172 GLY CA C 172 45.154 45.154 45.244 -0.090 18728 15146 1 15 . 1 1 172 172 GLY H H 172 8.194 8.194 8.301 -0.107 18728 15147 1 15 . 1 1 173 173 HIS N N 173 119.555 119.555 119.479 0.076 18728 15148 1 15 . 1 1 173 173 HIS HA H 173 4.860 4.860 4.662 0.198 18728 15149 1 15 . 1 1 173 173 HIS CA C 173 53.723 53.723 54.951 -1.228 18728 15150 1 15 . 1 1 173 173 HIS CB C 173 31.589 31.589 32.355 -0.766 18728 15151 1 15 . 1 1 173 173 HIS H H 173 7.657 7.657 7.888 -0.231 18728 15152 1 15 . 1 1 174 174 ASN N N 174 122.936 122.936 123.796 -0.860 18728 15153 1 15 . 1 1 174 174 ASN HA H 174 4.794 4.794 4.995 -0.201 18728 15154 1 15 . 1 1 174 174 ASN C C 174 174.918 174.918 175.142 -0.224 18728 15155 1 15 . 1 1 174 174 ASN CA C 174 53.748 53.748 53.005 0.743 18728 15156 1 15 . 1 1 174 174 ASN CB C 174 38.185 38.185 38.560 -0.375 18728 15157 1 15 . 1 1 174 174 ASN H H 174 8.828 8.828 8.703 0.125 18728 15158 1 15 . 1 1 175 175 CYS N N 175 126.425 126.425 124.492 1.933 18728 15159 1 15 . 1 1 175 175 CYS HA H 175 4.872 4.872 4.914 -0.042 18728 15160 1 15 . 1 1 175 175 CYS C C 175 173.853 173.853 173.439 0.414 18728 15161 1 15 . 1 1 175 175 CYS CA C 175 59.380 59.380 55.690 3.690 18728 15162 1 15 . 1 1 175 175 CYS CB C 175 29.966 29.966 31.274 -1.308 18728 15163 1 15 . 1 1 175 175 CYS H H 175 9.078 9.078 9.207 -0.129 18728 15164 1 15 . 1 1 176 176 GLU N N 176 124.488 124.488 121.329 3.159 18728 15165 1 15 . 1 1 176 176 GLU HA H 176 4.661 4.661 4.655 0.006 18728 15166 1 15 . 1 1 176 176 GLU C C 176 175.343 175.343 175.231 0.112 18728 15167 1 15 . 1 1 176 176 GLU CA C 176 55.296 55.296 55.220 0.076 18728 15168 1 15 . 1 1 176 176 GLU CB C 176 31.550 31.550 30.856 0.694 18728 15169 1 15 . 1 1 176 176 GLU H H 176 8.161 8.161 8.960 -0.799 18728 15170 1 15 . 1 1 177 177 VAL N N 177 122.521 122.521 125.992 -3.471 18728 15171 1 15 . 1 1 177 177 VAL HA H 177 5.628 5.628 5.431 0.197 18728 15172 1 15 . 1 1 177 177 VAL C C 177 175.720 175.720 174.296 1.424 18728 15173 1 15 . 1 1 177 177 VAL CA C 177 59.713 59.713 60.410 -0.697 18728 15174 1 15 . 1 1 177 177 VAL CB C 177 34.523 34.523 34.473 0.050 18728 15175 1 15 . 1 1 177 177 VAL H H 177 8.684 8.684 8.889 -0.205 18728 15176 1 15 . 1 1 178 178 ARG N N 178 119.915 119.915 122.306 -2.391 18728 15177 1 15 . 1 1 178 178 ARG HA H 178 4.746 4.746 4.746 -0.000 18728 15178 1 15 . 1 1 178 178 ARG C C 178 175.689 175.689 174.675 1.014 18728 15179 1 15 . 1 1 178 178 ARG CA C 178 54.212 54.212 54.163 0.049 18728 15180 1 15 . 1 1 178 178 ARG CB C 178 34.184 34.184 33.385 0.799 18728 15181 1 15 . 1 1 178 178 ARG H H 178 8.701 8.701 8.884 -0.183 18728 15182 1 15 . 1 1 179 179 LYS N N 179 121.001 121.001 120.939 0.062 18728 15183 1 15 . 1 1 179 179 LYS HA H 179 4.098 4.098 4.250 -0.152 18728 15184 1 15 . 1 1 179 179 LYS C C 179 176.026 176.026 176.019 0.007 18728 15185 1 15 . 1 1 179 179 LYS CA C 179 59.027 59.027 56.769 2.258 18728 15186 1 15 . 1 1 179 179 LYS CB C 179 33.377 33.377 32.013 1.364 18728 15187 1 15 . 1 1 179 179 LYS H H 179 8.990 8.990 8.539 0.451 18728 15188 1 15 . 1 1 180 180 ALA N N 180 126.810 126.810 127.878 -1.068 18728 15189 1 15 . 1 1 180 180 ALA HA H 180 4.565 4.565 4.762 -0.197 18728 15190 1 15 . 1 1 180 180 ALA C C 180 175.318 175.318 175.886 -0.568 18728 15191 1 15 . 1 1 180 180 ALA CA C 180 51.432 51.432 50.620 0.812 18728 15192 1 15 . 1 1 180 180 ALA CB C 180 19.201 19.201 21.271 -2.070 18728 15193 1 15 . 1 1 180 180 ALA H H 180 8.378 8.378 8.611 -0.233 18728 15194 1 15 . 1 1 181 181 LEU N N 181 122.300 122.300 124.992 -2.692 18728 15195 1 15 . 1 1 181 181 LEU HA H 181 4.401 4.401 4.395 0.006 18728 15196 1 15 . 1 1 181 181 LEU CA C 181 54.737 54.737 54.557 0.180 18728 15197 1 15 . 1 1 181 181 LEU CB C 181 43.199 43.199 42.017 1.182 18728 15198 1 15 . 1 1 181 181 LEU H H 181 8.001 8.001 8.552 -0.551 18728 15199 1 15 . 1 1 182 182 SER HA H 182 4.406 4.406 4.290 0.116 18728 15200 1 15 . 1 1 182 182 SER CA C 182 58.100 58.100 57.969 0.131 18728 15201 1 15 . 1 1 182 182 SER CB C 182 64.440 64.440 65.350 -0.910 18728 15202 1 15 . 1 1 183 183 LYS HA H 183 4.101 4.101 3.939 0.162 18728 15203 1 15 . 1 1 183 183 LYS C C 183 177.343 177.343 178.590 -1.247 18728 15204 1 15 . 1 1 183 183 LYS CA C 183 57.744 57.744 59.850 -2.107 18728 15205 1 15 . 1 1 183 183 LYS CB C 183 32.586 32.586 32.317 0.269 18728 15206 1 15 . 1 1 184 184 GLN N N 184 120.056 120.056 117.147 2.909 18728 15207 1 15 . 1 1 184 184 GLN HA H 184 4.167 4.167 4.281 -0.114 18728 15208 1 15 . 1 1 184 184 GLN C C 184 176.718 176.718 178.412 -1.694 18728 15209 1 15 . 1 1 184 184 GLN CA C 184 56.981 56.981 58.695 -1.714 18728 15210 1 15 . 1 1 184 184 GLN CB C 184 28.990 28.990 28.891 0.099 18728 15211 1 15 . 1 1 184 184 GLN H H 184 8.320 8.320 7.806 0.514 18728 15212 1 15 . 1 1 185 185 GLU N N 185 121.610 121.610 119.639 1.971 18728 15213 1 15 . 1 1 185 185 GLU HA H 185 4.132 4.132 4.146 -0.014 18728 15214 1 15 . 1 1 185 185 GLU C C 185 177.117 177.117 179.002 -1.885 18728 15215 1 15 . 1 1 185 185 GLU CA C 185 57.234 57.234 58.577 -1.343 18728 15216 1 15 . 1 1 185 185 GLU CB C 185 30.235 30.235 29.658 0.577 18728 15217 1 15 . 1 1 185 185 GLU H H 185 8.143 8.143 7.762 0.381 18728 15218 1 15 . 1 1 186 186 MET N N 186 120.092 120.092 118.860 1.232 18728 15219 1 15 . 1 1 186 186 MET HA H 186 4.289 4.289 4.158 0.131 18728 15220 1 15 . 1 1 186 186 MET C C 186 176.438 176.438 178.417 -1.979 18728 15221 1 15 . 1 1 186 186 MET CA C 186 56.069 56.069 58.943 -2.874 18728 15222 1 15 . 1 1 186 186 MET CB C 186 32.847 32.847 32.692 0.155 18728 15223 1 15 . 1 1 186 186 MET H H 186 8.195 8.195 8.577 -0.382 18728 15224 1 15 . 1 1 187 187 ALA N N 187 124.104 124.104 120.087 4.017 18728 15225 1 15 . 1 1 187 187 ALA HA H 187 4.297 4.297 4.283 0.014 18728 15226 1 15 . 1 1 187 187 ALA C C 187 178.107 178.107 177.359 0.748 18728 15227 1 15 . 1 1 187 187 ALA CA C 187 52.912 52.912 52.986 -0.074 18728 15228 1 15 . 1 1 187 187 ALA CB C 187 19.060 19.060 19.138 -0.078 18728 15229 1 15 . 1 1 187 187 ALA H H 187 8.060 8.060 7.710 0.350 18728 15230 1 15 . 1 1 188 188 SER N N 188 114.374 114.374 110.510 3.864 18728 15231 1 15 . 1 1 188 188 SER HA H 188 4.357 4.357 4.168 0.189 18728 15232 1 15 . 1 1 188 188 SER C C 188 174.757 174.757 173.699 1.058 18728 15233 1 15 . 1 1 188 188 SER CA C 188 58.598 58.598 59.031 -0.432 18728 15234 1 15 . 1 1 188 188 SER CB C 188 63.734 63.734 60.844 2.890 18728 15235 1 15 . 1 1 188 188 SER H H 188 8.173 8.173 8.265 -0.092 18728 15236 1 15 . 1 1 189 189 ALA N N 189 125.637 125.637 121.222 4.415 18728 15237 1 15 . 1 1 189 189 ALA HA H 189 4.246 4.246 4.471 -0.225 18728 15238 1 15 . 1 1 189 189 ALA CA C 189 53.015 53.015 51.752 1.263 18728 15239 1 15 . 1 1 189 189 ALA CB C 189 19.069 19.069 21.149 -2.080 18728 15240 1 15 . 1 1 189 189 ALA H H 189 8.207 8.207 7.505 0.702 18728 15241 1 16 . 1 1 5 5 GLU N N 5 122.509 122.509 121.517 0.992 18728 15242 1 16 . 1 1 5 5 GLU HA H 5 4.345 4.345 4.466 -0.121 18728 15243 1 16 . 1 1 5 5 GLU C C 5 176.240 176.240 175.406 0.834 18728 15244 1 16 . 1 1 5 5 GLU CA C 5 56.190 56.190 56.035 0.155 18728 15245 1 16 . 1 1 5 5 GLU CB C 5 30.611 30.611 30.395 0.216 18728 15246 1 16 . 1 1 5 5 GLU H H 5 8.321 8.321 7.829 0.492 18728 15247 1 16 . 1 1 6 6 SER N N 6 118.728 118.728 115.278 3.450 18728 15248 1 16 . 1 1 6 6 SER HA H 6 4.342 4.342 4.758 -0.416 18728 15249 1 16 . 1 1 6 6 SER CA C 6 56.305 56.305 55.083 1.222 18728 15250 1 16 . 1 1 6 6 SER CB C 6 63.241 63.241 63.534 -0.293 18728 15251 1 16 . 1 1 6 6 SER H H 6 8.349 8.349 8.388 -0.039 18728 15252 1 16 . 1 1 7 7 PRO HA H 7 4.427 4.427 4.876 -0.449 18728 15253 1 16 . 1 1 7 7 PRO C C 7 177.027 177.027 176.020 1.007 18728 15254 1 16 . 1 1 7 7 PRO CA C 7 63.271 63.271 62.915 0.356 18728 15255 1 16 . 1 1 7 7 PRO CB C 7 32.111 32.111 33.037 -0.926 18728 15256 1 16 . 1 1 8 8 LYS N N 8 121.819 121.819 121.585 0.234 18728 15257 1 16 . 1 1 8 8 LYS HA H 8 4.290 4.290 4.464 -0.174 18728 15258 1 16 . 1 1 8 8 LYS C C 8 177.015 177.015 176.285 0.730 18728 15259 1 16 . 1 1 8 8 LYS CA C 8 56.455 56.455 56.033 0.422 18728 15260 1 16 . 1 1 8 8 LYS CB C 8 33.341 33.341 32.758 0.583 18728 15261 1 16 . 1 1 8 8 LYS H H 8 8.445 8.445 8.490 -0.045 18728 15262 1 16 . 1 1 9 9 GLU N N 9 121.243 121.243 121.807 -0.564 18728 15263 1 16 . 1 1 9 9 GLU HA H 9 4.606 4.606 4.652 -0.046 18728 15264 1 16 . 1 1 9 9 GLU CA C 9 54.480 54.480 53.849 0.631 18728 15265 1 16 . 1 1 9 9 GLU CB C 9 29.572 29.572 29.241 0.331 18728 15266 1 16 . 1 1 9 9 GLU H H 9 8.313 8.313 7.890 0.423 18728 15267 1 16 . 1 1 10 10 PRO HA H 10 4.335 4.335 4.353 -0.018 18728 15268 1 16 . 1 1 10 10 PRO C C 10 177.491 177.491 177.856 -0.365 18728 15269 1 16 . 1 1 10 10 PRO CA C 10 63.587 63.587 62.302 1.285 18728 15270 1 16 . 1 1 10 10 PRO CB C 10 32.374 32.374 32.532 -0.159 18728 15271 1 16 . 1 1 11 11 GLU N N 11 123.071 123.071 121.543 1.528 18728 15272 1 16 . 1 1 11 11 GLU HA H 11 3.686 3.686 3.908 -0.222 18728 15273 1 16 . 1 1 11 11 GLU C C 11 177.984 177.984 178.048 -0.064 18728 15274 1 16 . 1 1 11 11 GLU CA C 11 59.651 59.651 60.013 -0.362 18728 15275 1 16 . 1 1 11 11 GLU CB C 11 29.819 29.819 28.699 1.120 18728 15276 1 16 . 1 1 11 11 GLU H H 11 8.692 8.692 8.928 -0.236 18728 15277 1 16 . 1 1 12 12 GLN N N 12 116.079 116.079 116.891 -0.812 18728 15278 1 16 . 1 1 12 12 GLN HA H 12 3.979 3.979 4.153 -0.174 18728 15279 1 16 . 1 1 12 12 GLN C C 12 177.579 177.579 177.907 -0.328 18728 15280 1 16 . 1 1 12 12 GLN CA C 12 58.526 58.526 58.371 0.155 18728 15281 1 16 . 1 1 12 12 GLN CB C 12 28.112 28.112 28.156 -0.044 18728 15282 1 16 . 1 1 12 12 GLN H H 12 8.647 8.647 8.473 0.174 18728 15283 1 16 . 1 1 13 13 LEU N N 13 116.530 116.530 117.713 -1.183 18728 15284 1 16 . 1 1 13 13 LEU HA H 13 4.264 4.264 4.318 -0.054 18728 15285 1 16 . 1 1 13 13 LEU C C 13 177.080 177.080 177.770 -0.690 18728 15286 1 16 . 1 1 13 13 LEU CA C 13 55.945 55.945 56.056 -0.111 18728 15287 1 16 . 1 1 13 13 LEU CB C 13 42.317 42.317 42.104 0.213 18728 15288 1 16 . 1 1 13 13 LEU H H 13 7.471 7.471 7.616 -0.145 18728 15289 1 16 . 1 1 14 14 ARG N N 14 116.981 116.981 113.793 3.188 18728 15290 1 16 . 1 1 14 14 ARG HA H 14 4.417 4.417 4.581 -0.164 18728 15291 1 16 . 1 1 14 14 ARG C C 14 172.996 172.996 175.626 -2.630 18728 15292 1 16 . 1 1 14 14 ARG CA C 14 56.067 56.067 55.421 0.646 18728 15293 1 16 . 1 1 14 14 ARG CB C 14 29.944 29.944 31.241 -1.297 18728 15294 1 16 . 1 1 14 14 ARG H H 14 7.576 7.576 7.605 -0.029 18728 15295 1 16 . 1 1 15 15 LYS N N 15 119.990 119.990 122.262 -2.272 18728 15296 1 16 . 1 1 15 15 LYS HA H 15 5.198 5.198 5.213 -0.015 18728 15297 1 16 . 1 1 15 15 LYS CA C 15 55.301 55.301 55.324 -0.023 18728 15298 1 16 . 1 1 15 15 LYS CB C 15 35.888 35.888 35.628 0.260 18728 15299 1 16 . 1 1 15 15 LYS H H 15 6.946 6.946 8.010 -1.064 18728 15300 1 16 . 1 1 16 16 LEU N N 16 126.081 126.081 123.537 2.544 18728 15301 1 16 . 1 1 16 16 LEU HA H 16 5.016 5.016 5.045 -0.029 18728 15302 1 16 . 1 1 16 16 LEU C C 16 176.309 176.309 175.679 0.630 18728 15303 1 16 . 1 1 16 16 LEU CA C 16 53.334 53.334 53.430 -0.096 18728 15304 1 16 . 1 1 16 16 LEU CB C 16 45.062 45.062 45.324 -0.262 18728 15305 1 16 . 1 1 16 16 LEU H H 16 9.605 9.605 8.930 0.675 18728 15306 1 16 . 1 1 17 17 PHE N N 17 123.569 123.569 125.782 -2.213 18728 15307 1 16 . 1 1 17 17 PHE HA H 17 4.585 4.585 5.188 -0.603 18728 15308 1 16 . 1 1 17 17 PHE C C 17 174.362 174.362 174.459 -0.097 18728 15309 1 16 . 1 1 17 17 PHE CA C 17 57.153 57.153 56.071 1.083 18728 15310 1 16 . 1 1 17 17 PHE CB C 17 40.603 40.603 40.801 -0.198 18728 15311 1 16 . 1 1 17 17 PHE H H 17 9.023 9.023 8.788 0.235 18728 15312 1 16 . 1 1 18 18 ILE N N 18 126.932 126.932 128.674 -1.742 18728 15313 1 16 . 1 1 18 18 ILE HA H 18 4.029 4.029 4.219 -0.190 18728 15314 1 16 . 1 1 18 18 ILE C C 18 173.832 173.832 174.953 -1.121 18728 15315 1 16 . 1 1 18 18 ILE CA C 18 59.156 59.156 58.283 0.873 18728 15316 1 16 . 1 1 18 18 ILE CB C 18 36.909 36.909 36.442 0.467 18728 15317 1 16 . 1 1 18 18 ILE H H 18 8.486 8.486 8.622 -0.136 18728 15318 1 16 . 1 1 19 19 GLY N N 19 112.953 112.953 112.849 0.104 18728 15319 1 16 . 1 1 19 19 GLY C C 19 174.426 174.426 173.794 0.632 18728 15320 1 16 . 1 1 19 19 GLY CA C 19 43.611 43.611 43.188 0.423 18728 15321 1 16 . 1 1 19 19 GLY H H 19 7.948 7.948 8.705 -0.757 18728 15322 1 16 . 1 1 20 20 GLY N N 20 107.584 107.584 110.352 -2.768 18728 15323 1 16 . 1 1 20 20 GLY C C 20 175.563 175.563 174.400 1.163 18728 15324 1 16 . 1 1 20 20 GLY CA C 20 46.530 46.530 45.181 1.349 18728 15325 1 16 . 1 1 20 20 GLY H H 20 8.542 8.542 8.162 0.380 18728 15326 1 16 . 1 1 21 21 LEU N N 21 115.232 115.232 120.298 -5.066 18728 15327 1 16 . 1 1 21 21 LEU HA H 21 4.025 4.025 4.287 -0.262 18728 15328 1 16 . 1 1 21 21 LEU C C 21 179.121 179.121 176.734 2.387 18728 15329 1 16 . 1 1 21 21 LEU CA C 21 54.192 54.192 54.479 -0.287 18728 15330 1 16 . 1 1 21 21 LEU CB C 21 42.892 42.892 42.690 0.202 18728 15331 1 16 . 1 1 21 21 LEU H H 21 7.472 7.472 7.942 -0.470 18728 15332 1 16 . 1 1 22 22 SER N N 22 114.737 114.737 114.196 0.541 18728 15333 1 16 . 1 1 22 22 SER HA H 22 4.125 4.125 4.565 -0.440 18728 15334 1 16 . 1 1 22 22 SER C C 22 177.842 177.842 176.197 1.645 18728 15335 1 16 . 1 1 22 22 SER CA C 22 57.635 57.635 57.543 0.092 18728 15336 1 16 . 1 1 22 22 SER CB C 22 63.106 63.106 64.871 -1.765 18728 15337 1 16 . 1 1 22 22 SER H H 22 9.136 9.136 8.332 0.804 18728 15338 1 16 . 1 1 23 23 PHE N N 23 128.194 128.194 121.224 6.970 18728 15339 1 16 . 1 1 23 23 PHE HA H 23 4.307 4.307 4.531 -0.224 18728 15340 1 16 . 1 1 23 23 PHE C C 23 175.626 175.626 175.641 -0.015 18728 15341 1 16 . 1 1 23 23 PHE CA C 23 60.205 60.205 59.326 0.879 18728 15342 1 16 . 1 1 23 23 PHE CB C 23 37.570 37.570 39.677 -2.107 18728 15343 1 16 . 1 1 23 23 PHE H H 23 9.034 9.034 8.918 0.116 18728 15344 1 16 . 1 1 24 24 GLU N N 24 116.093 116.093 115.187 0.906 18728 15345 1 16 . 1 1 24 24 GLU HA H 24 4.255 4.255 4.417 -0.162 18728 15346 1 16 . 1 1 24 24 GLU C C 24 177.429 177.429 175.321 2.108 18728 15347 1 16 . 1 1 24 24 GLU CA C 24 56.522 56.522 55.201 1.321 18728 15348 1 16 . 1 1 24 24 GLU CB C 24 29.980 29.980 29.627 0.353 18728 15349 1 16 . 1 1 24 24 GLU H H 24 8.295 8.295 8.375 -0.080 18728 15350 1 16 . 1 1 25 25 THR N N 25 118.836 118.836 117.722 1.114 18728 15351 1 16 . 1 1 25 25 THR HA H 25 4.091 4.091 4.693 -0.602 18728 15352 1 16 . 1 1 25 25 THR C C 25 174.238 174.238 174.561 -0.323 18728 15353 1 16 . 1 1 25 25 THR CA C 25 64.862 64.862 64.000 0.862 18728 15354 1 16 . 1 1 25 25 THR CB C 25 68.584 68.584 69.016 -0.432 18728 15355 1 16 . 1 1 25 25 THR H H 25 7.280 7.280 7.359 -0.078 18728 15356 1 16 . 1 1 26 26 THR N N 26 119.434 119.434 118.082 1.352 18728 15357 1 16 . 1 1 26 26 THR HA H 26 4.484 4.484 4.680 -0.196 18728 15358 1 16 . 1 1 26 26 THR C C 26 174.563 174.563 175.170 -0.607 18728 15359 1 16 . 1 1 26 26 THR CA C 26 59.361 59.361 59.366 -0.005 18728 15360 1 16 . 1 1 26 26 THR CB C 26 72.727 72.727 72.092 0.635 18728 15361 1 16 . 1 1 26 26 THR H H 26 8.447 8.447 7.875 0.572 18728 15362 1 16 . 1 1 27 27 ASP N N 27 120.342 120.342 122.685 -2.343 18728 15363 1 16 . 1 1 27 27 ASP HA H 27 3.920 3.920 4.266 -0.346 18728 15364 1 16 . 1 1 27 27 ASP C C 27 178.347 178.347 178.269 0.078 18728 15365 1 16 . 1 1 27 27 ASP CA C 27 58.148 58.148 58.532 -0.384 18728 15366 1 16 . 1 1 27 27 ASP CB C 27 39.954 39.954 40.607 -0.653 18728 15367 1 16 . 1 1 27 27 ASP H H 27 8.794 8.794 8.849 -0.055 18728 15368 1 16 . 1 1 28 28 GLU N N 28 116.494 116.494 119.126 -2.632 18728 15369 1 16 . 1 1 28 28 GLU HA H 28 3.993 3.993 4.076 -0.083 18728 15370 1 16 . 1 1 28 28 GLU C C 28 178.987 178.987 178.750 0.237 18728 15371 1 16 . 1 1 28 28 GLU CA C 28 60.281 60.281 59.266 1.015 18728 15372 1 16 . 1 1 28 28 GLU CB C 28 29.193 29.193 29.222 -0.029 18728 15373 1 16 . 1 1 28 28 GLU H H 28 8.444 8.444 8.793 -0.349 18728 15374 1 16 . 1 1 29 29 SER N N 29 120.532 120.532 116.656 3.876 18728 15375 1 16 . 1 1 29 29 SER HA H 29 4.333 4.333 4.371 -0.038 18728 15376 1 16 . 1 1 29 29 SER C C 29 178.125 178.125 176.780 1.345 18728 15377 1 16 . 1 1 29 29 SER CA C 29 61.720 61.720 61.215 0.505 18728 15378 1 16 . 1 1 29 29 SER H H 29 8.384 8.384 7.561 0.823 18728 15379 1 16 . 1 1 30 30 LEU N N 30 126.754 126.754 124.359 2.395 18728 15380 1 16 . 1 1 30 30 LEU HA H 30 4.080 4.080 4.226 -0.146 18728 15381 1 16 . 1 1 30 30 LEU C C 30 178.341 178.341 177.892 0.449 18728 15382 1 16 . 1 1 30 30 LEU CA C 30 58.073 58.073 57.869 0.204 18728 15383 1 16 . 1 1 30 30 LEU CB C 30 42.524 42.524 41.785 0.739 18728 15384 1 16 . 1 1 30 30 LEU H H 30 8.487 8.487 8.379 0.108 18728 15385 1 16 . 1 1 31 31 ARG N N 31 121.192 121.192 119.338 1.854 18728 15386 1 16 . 1 1 31 31 ARG HA H 31 3.863 3.863 3.864 -0.001 18728 15387 1 16 . 1 1 31 31 ARG C C 31 177.765 177.765 178.358 -0.593 18728 15388 1 16 . 1 1 31 31 ARG CA C 31 59.706 59.706 60.105 -0.399 18728 15389 1 16 . 1 1 31 31 ARG CB C 31 30.648 30.648 30.024 0.624 18728 15390 1 16 . 1 1 31 31 ARG H H 31 7.980 7.980 8.498 -0.518 18728 15391 1 16 . 1 1 32 32 SER N N 32 112.868 112.868 114.126 -1.258 18728 15392 1 16 . 1 1 32 32 SER HA H 32 4.104 4.104 4.209 -0.105 18728 15393 1 16 . 1 1 32 32 SER C C 32 176.416 176.416 176.510 -0.094 18728 15394 1 16 . 1 1 32 32 SER CA C 32 61.437 61.437 61.610 -0.173 18728 15395 1 16 . 1 1 32 32 SER CB C 32 62.933 62.933 62.844 0.089 18728 15396 1 16 . 1 1 32 32 SER H H 32 8.295 8.295 8.088 0.207 18728 15397 1 16 . 1 1 33 33 HIS N N 33 115.910 115.910 120.794 -4.884 18728 15398 1 16 . 1 1 33 33 HIS HA H 33 4.346 4.346 4.375 -0.029 18728 15399 1 16 . 1 1 33 33 HIS C C 33 177.510 177.510 178.078 -0.568 18728 15400 1 16 . 1 1 33 33 HIS CA C 33 60.373 60.373 59.890 0.483 18728 15401 1 16 . 1 1 33 33 HIS CB C 33 30.776 30.776 30.530 0.246 18728 15402 1 16 . 1 1 33 33 HIS H H 33 7.406 7.406 8.065 -0.659 18728 15403 1 16 . 1 1 34 34 PHE N N 34 113.562 113.562 119.228 -5.666 18728 15404 1 16 . 1 1 34 34 PHE HA H 34 4.526 4.526 4.862 -0.336 18728 15405 1 16 . 1 1 34 34 PHE C C 34 179.061 179.061 178.357 0.704 18728 15406 1 16 . 1 1 34 34 PHE CA C 34 64.104 64.104 61.942 2.162 18728 15407 1 16 . 1 1 34 34 PHE CB C 34 38.379 38.379 39.135 -0.756 18728 15408 1 16 . 1 1 34 34 PHE H H 34 8.227 8.227 8.560 -0.333 18728 15409 1 16 . 1 1 35 35 GLU N N 35 124.490 124.490 120.194 4.296 18728 15410 1 16 . 1 1 35 35 GLU HA H 35 4.962 4.962 4.447 0.515 18728 15411 1 16 . 1 1 35 35 GLU C C 35 176.476 176.476 177.742 -1.266 18728 15412 1 16 . 1 1 35 35 GLU CA C 35 57.950 57.950 58.097 -0.147 18728 15413 1 16 . 1 1 35 35 GLU CB C 35 28.690 28.690 29.271 -0.581 18728 15414 1 16 . 1 1 35 35 GLU H H 35 9.219 9.219 8.683 0.536 18728 15415 1 16 . 1 1 36 36 GLN N N 36 116.596 116.596 117.707 -1.111 18728 15416 1 16 . 1 1 36 36 GLN HA H 36 3.706 3.706 3.934 -0.228 18728 15417 1 16 . 1 1 36 36 GLN C C 36 176.486 176.486 177.342 -0.856 18728 15418 1 16 . 1 1 36 36 GLN CA C 36 58.206 58.206 57.773 0.433 18728 15419 1 16 . 1 1 36 36 GLN CB C 36 27.731 27.731 28.161 -0.430 18728 15420 1 16 . 1 1 36 36 GLN H H 36 7.011 7.011 7.493 -0.482 18728 15421 1 16 . 1 1 37 37 TRP N N 37 114.690 114.690 117.099 -2.409 18728 15422 1 16 . 1 1 37 37 TRP HA H 37 4.481 4.481 4.847 -0.366 18728 15423 1 16 . 1 1 37 37 TRP C C 37 173.662 173.662 176.603 -2.941 18728 15424 1 16 . 1 1 37 37 TRP CA C 37 61.557 61.557 58.521 3.036 18728 15425 1 16 . 1 1 37 37 TRP CB C 37 29.074 29.074 31.184 -2.110 18728 15426 1 16 . 1 1 37 37 TRP H H 37 7.017 7.017 7.897 -0.880 18728 15427 1 16 . 1 1 38 38 GLY N N 38 105.060 105.060 104.625 0.435 18728 15428 1 16 . 1 1 38 38 GLY C C 38 171.596 171.596 172.450 -0.854 18728 15429 1 16 . 1 1 38 38 GLY CA C 38 45.545 45.545 45.627 -0.082 18728 15430 1 16 . 1 1 38 38 GLY H H 38 7.294 7.294 7.669 -0.375 18728 15431 1 16 . 1 1 39 39 THR N N 39 117.179 117.179 119.953 -2.774 18728 15432 1 16 . 1 1 39 39 THR HA H 39 4.231 4.231 4.270 -0.039 18728 15433 1 16 . 1 1 39 39 THR C C 39 173.760 173.760 174.253 -0.493 18728 15434 1 16 . 1 1 39 39 THR CA C 39 62.904 62.904 64.636 -1.732 18728 15435 1 16 . 1 1 39 39 THR CB C 39 69.813 69.813 69.084 0.729 18728 15436 1 16 . 1 1 39 39 THR H H 39 8.770 8.770 9.064 -0.294 18728 15437 1 16 . 1 1 40 40 LEU N N 40 126.702 126.702 128.377 -1.675 18728 15438 1 16 . 1 1 40 40 LEU HA H 40 4.943 4.943 4.612 0.332 18728 15439 1 16 . 1 1 40 40 LEU C C 40 178.358 178.358 177.036 1.322 18728 15440 1 16 . 1 1 40 40 LEU CA C 40 52.969 52.969 54.249 -1.280 18728 15441 1 16 . 1 1 40 40 LEU CB C 40 41.893 41.893 42.417 -0.524 18728 15442 1 16 . 1 1 40 40 LEU H H 40 8.831 8.831 8.806 0.025 18728 15443 1 16 . 1 1 41 41 THR N N 41 117.175 117.175 115.905 1.270 18728 15444 1 16 . 1 1 41 41 THR HA H 41 4.197 4.197 4.369 -0.172 18728 15445 1 16 . 1 1 41 41 THR C C 41 175.050 175.050 174.523 0.527 18728 15446 1 16 . 1 1 41 41 THR CA C 41 62.668 62.668 61.802 0.866 18728 15447 1 16 . 1 1 41 41 THR CB C 41 67.618 67.618 69.614 -1.996 18728 15448 1 16 . 1 1 41 41 THR H H 41 8.926 8.926 9.059 -0.133 18728 15449 1 16 . 1 1 42 42 ASP N N 42 118.764 118.764 119.038 -0.274 18728 15450 1 16 . 1 1 42 42 ASP HA H 42 4.620 4.620 4.868 -0.248 18728 15451 1 16 . 1 1 42 42 ASP C C 42 174.637 174.637 173.486 1.151 18728 15452 1 16 . 1 1 42 42 ASP CA C 42 54.235 54.235 53.901 0.334 18728 15453 1 16 . 1 1 42 42 ASP CB C 42 44.253 44.253 44.476 -0.223 18728 15454 1 16 . 1 1 42 42 ASP H H 42 7.513 7.513 7.659 -0.146 18728 15455 1 16 . 1 1 43 43 CYS N N 43 123.632 123.632 123.240 0.392 18728 15456 1 16 . 1 1 43 43 CYS HA H 43 4.842 4.842 5.243 -0.401 18728 15457 1 16 . 1 1 43 43 CYS C C 43 171.885 171.885 172.267 -0.382 18728 15458 1 16 . 1 1 43 43 CYS CA C 43 59.376 59.376 58.242 1.134 18728 15459 1 16 . 1 1 43 43 CYS CB C 43 26.377 26.377 30.569 -4.192 18728 15460 1 16 . 1 1 43 43 CYS H H 43 8.436 8.436 8.498 -0.062 18728 15461 1 16 . 1 1 44 44 VAL N N 44 126.787 126.787 128.628 -1.841 18728 15462 1 16 . 1 1 44 44 VAL HA H 44 4.576 4.576 5.089 -0.513 18728 15463 1 16 . 1 1 44 44 VAL C C 44 173.371 173.371 173.681 -0.310 18728 15464 1 16 . 1 1 44 44 VAL CA C 44 60.151 60.151 60.565 -0.414 18728 15465 1 16 . 1 1 44 44 VAL CB C 44 36.424 36.424 36.320 0.104 18728 15466 1 16 . 1 1 44 44 VAL H H 44 8.737 8.737 8.706 0.031 18728 15467 1 16 . 1 1 45 45 VAL N N 45 125.522 125.522 130.927 -5.405 18728 15468 1 16 . 1 1 45 45 VAL HA H 45 3.711 3.711 3.991 -0.280 18728 15469 1 16 . 1 1 45 45 VAL C C 45 176.674 176.674 175.634 1.040 18728 15470 1 16 . 1 1 45 45 VAL CA C 45 62.509 62.509 62.243 0.266 18728 15471 1 16 . 1 1 45 45 VAL CB C 45 33.175 33.175 32.731 0.444 18728 15472 1 16 . 1 1 45 45 VAL H H 45 8.269 8.269 9.050 -0.781 18728 15473 1 16 . 1 1 46 46 MET N N 46 126.833 126.833 126.385 0.448 18728 15474 1 16 . 1 1 46 46 MET HA H 46 4.441 4.441 4.349 0.092 18728 15475 1 16 . 1 1 46 46 MET C C 46 175.413 175.413 175.379 0.034 18728 15476 1 16 . 1 1 46 46 MET CA C 46 54.852 54.852 55.525 -0.673 18728 15477 1 16 . 1 1 46 46 MET CB C 46 30.454 30.454 32.121 -1.667 18728 15478 1 16 . 1 1 46 46 MET H H 46 8.445 8.445 8.281 0.164 18728 15479 1 16 . 1 1 47 47 ARG N N 47 120.697 120.697 121.233 -0.536 18728 15480 1 16 . 1 1 47 47 ARG HA H 47 4.838 4.838 4.977 -0.139 18728 15481 1 16 . 1 1 47 47 ARG CA C 47 54.308 54.308 54.374 -0.066 18728 15482 1 16 . 1 1 47 47 ARG CB C 47 34.048 34.048 34.378 -0.330 18728 15483 1 16 . 1 1 47 47 ARG H H 47 8.308 8.308 8.080 0.228 18728 15484 1 16 . 1 1 48 48 ASP N N 48 125.146 125.146 122.825 2.321 18728 15485 1 16 . 1 1 48 48 ASP HA H 48 4.686 4.686 4.758 -0.072 18728 15486 1 16 . 1 1 48 48 ASP C C 48 176.046 176.046 175.890 0.156 18728 15487 1 16 . 1 1 48 48 ASP CA C 48 52.106 52.106 52.912 -0.806 18728 15488 1 16 . 1 1 48 48 ASP CB C 48 42.878 42.878 42.607 0.271 18728 15489 1 16 . 1 1 48 48 ASP H H 48 8.577 8.577 8.659 -0.082 18728 15490 1 16 . 1 1 49 49 PRO HA H 49 4.310 4.310 4.310 0.000 18728 15491 1 16 . 1 1 49 49 PRO C C 49 177.166 177.166 178.102 -0.936 18728 15492 1 16 . 1 1 49 49 PRO CA C 49 64.584 64.584 64.659 -0.075 18728 15493 1 16 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.226 -0.090 18728 15494 1 16 . 1 1 50 50 ASN N N 50 115.474 115.474 117.736 -2.262 18728 15495 1 16 . 1 1 50 50 ASN HA H 50 4.723 4.723 4.664 0.059 18728 15496 1 16 . 1 1 50 50 ASN C C 50 176.642 176.642 176.937 -0.295 18728 15497 1 16 . 1 1 50 50 ASN CA C 50 55.444 55.444 55.892 -0.448 18728 15498 1 16 . 1 1 50 50 ASN CB C 50 39.455 39.455 39.419 0.036 18728 15499 1 16 . 1 1 50 50 ASN H H 50 8.560 8.560 9.111 -0.551 18728 15500 1 16 . 1 1 51 51 THR N N 51 108.788 108.788 113.392 -4.604 18728 15501 1 16 . 1 1 51 51 THR HA H 51 4.264 4.264 4.569 -0.305 18728 15502 1 16 . 1 1 51 51 THR C C 51 176.018 176.018 173.768 2.250 18728 15503 1 16 . 1 1 51 51 THR CA C 51 62.063 62.063 62.490 -0.427 18728 15504 1 16 . 1 1 51 51 THR CB C 51 70.768 70.768 70.178 0.590 18728 15505 1 16 . 1 1 51 51 THR H H 51 8.277 8.277 7.796 0.481 18728 15506 1 16 . 1 1 52 52 LYS N N 52 114.615 114.615 116.843 -2.228 18728 15507 1 16 . 1 1 52 52 LYS HA H 52 3.917 3.917 4.066 -0.149 18728 15508 1 16 . 1 1 52 52 LYS C C 52 175.376 175.376 175.075 0.301 18728 15509 1 16 . 1 1 52 52 LYS CA C 52 57.902 57.902 56.807 1.095 18728 15510 1 16 . 1 1 52 52 LYS CB C 52 29.293 29.293 30.299 -1.006 18728 15511 1 16 . 1 1 52 52 LYS H H 52 8.091 8.091 7.921 0.170 18728 15512 1 16 . 1 1 53 53 ARG N N 53 120.395 120.395 116.835 3.560 18728 15513 1 16 . 1 1 53 53 ARG HA H 53 4.169 4.169 4.189 -0.020 18728 15514 1 16 . 1 1 53 53 ARG C C 53 176.619 176.619 176.288 0.331 18728 15515 1 16 . 1 1 53 53 ARG CA C 53 56.233 56.233 52.976 3.257 18728 15516 1 16 . 1 1 53 53 ARG CB C 53 31.045 31.045 30.768 0.277 18728 15517 1 16 . 1 1 53 53 ARG H H 53 7.847 7.847 7.704 0.143 18728 15518 1 16 . 1 1 54 54 SER N N 54 116.987 116.987 116.355 0.632 18728 15519 1 16 . 1 1 54 54 SER HA H 54 4.186 4.186 4.431 -0.245 18728 15520 1 16 . 1 1 54 54 SER C C 54 175.755 175.755 175.607 0.148 18728 15521 1 16 . 1 1 54 54 SER CA C 54 58.559 58.559 59.564 -1.005 18728 15522 1 16 . 1 1 54 54 SER CB C 54 63.922 63.922 63.281 0.641 18728 15523 1 16 . 1 1 54 54 SER H H 54 8.810 8.810 7.864 0.946 18728 15524 1 16 . 1 1 55 55 ARG N N 55 123.427 123.427 124.711 -1.284 18728 15525 1 16 . 1 1 55 55 ARG HA H 55 4.403 4.403 4.308 0.095 18728 15526 1 16 . 1 1 55 55 ARG C C 55 177.962 177.962 176.757 1.205 18728 15527 1 16 . 1 1 55 55 ARG CA C 55 56.096 56.096 56.134 -0.038 18728 15528 1 16 . 1 1 55 55 ARG CB C 55 31.294 31.294 30.146 1.148 18728 15529 1 16 . 1 1 55 55 ARG H H 55 8.976 8.976 8.838 0.138 18728 15530 1 16 . 1 1 56 56 GLY N N 56 107.308 107.308 106.315 0.993 18728 15531 1 16 . 1 1 56 56 GLY C C 56 171.856 171.856 173.739 -1.883 18728 15532 1 16 . 1 1 56 56 GLY CA C 56 45.669 45.669 45.168 0.501 18728 15533 1 16 . 1 1 56 56 GLY H H 56 9.375 9.375 8.538 0.837 18728 15534 1 16 . 1 1 57 57 PHE N N 57 112.537 112.537 114.843 -2.306 18728 15535 1 16 . 1 1 57 57 PHE HA H 57 5.201 5.201 5.404 -0.203 18728 15536 1 16 . 1 1 57 57 PHE C C 57 172.646 172.646 173.096 -0.450 18728 15537 1 16 . 1 1 57 57 PHE CA C 57 54.918 54.918 55.483 -0.566 18728 15538 1 16 . 1 1 57 57 PHE CB C 57 41.743 41.743 40.828 0.915 18728 15539 1 16 . 1 1 57 57 PHE H H 57 7.044 7.044 7.105 -0.061 18728 15540 1 16 . 1 1 58 58 GLY N N 58 106.816 106.816 106.400 0.416 18728 15541 1 16 . 1 1 58 58 GLY C C 58 169.931 169.931 171.228 -1.297 18728 15542 1 16 . 1 1 58 58 GLY CA C 58 45.304 45.304 44.670 0.634 18728 15543 1 16 . 1 1 58 58 GLY H H 58 8.345 8.345 8.297 0.048 18728 15544 1 16 . 1 1 59 59 PHE N N 59 115.179 115.179 115.913 -0.734 18728 15545 1 16 . 1 1 59 59 PHE HA H 59 5.645 5.645 5.684 -0.039 18728 15546 1 16 . 1 1 59 59 PHE C C 59 174.929 174.929 174.530 0.399 18728 15547 1 16 . 1 1 59 59 PHE CA C 59 56.541 56.541 56.206 0.335 18728 15548 1 16 . 1 1 59 59 PHE CB C 59 43.984 43.984 43.990 -0.006 18728 15549 1 16 . 1 1 59 59 PHE H H 59 8.903 8.903 8.549 0.354 18728 15550 1 16 . 1 1 60 60 VAL N N 60 115.310 115.310 116.668 -1.358 18728 15551 1 16 . 1 1 60 60 VAL HA H 60 4.540 4.540 4.778 -0.238 18728 15552 1 16 . 1 1 60 60 VAL C C 60 173.246 173.246 175.094 -1.848 18728 15553 1 16 . 1 1 60 60 VAL CA C 60 59.421 59.421 60.285 -0.863 18728 15554 1 16 . 1 1 60 60 VAL CB C 60 34.678 34.678 33.549 1.129 18728 15555 1 16 . 1 1 60 60 VAL H H 60 8.569 8.569 8.924 -0.355 18728 15556 1 16 . 1 1 61 61 THR N N 61 120.158 120.158 124.036 -3.878 18728 15557 1 16 . 1 1 61 61 THR HA H 61 5.068 5.068 4.715 0.353 18728 15558 1 16 . 1 1 61 61 THR C C 61 173.985 173.985 173.795 0.190 18728 15559 1 16 . 1 1 61 61 THR CA C 61 61.033 61.033 61.847 -0.814 18728 15560 1 16 . 1 1 61 61 THR CB C 61 70.114 70.114 69.408 0.706 18728 15561 1 16 . 1 1 61 61 THR H H 61 8.180 8.180 8.971 -0.791 18728 15562 1 16 . 1 1 62 62 TYR N N 62 125.280 125.280 126.332 -1.052 18728 15563 1 16 . 1 1 62 62 TYR HA H 62 5.357 5.357 4.875 0.482 18728 15564 1 16 . 1 1 62 62 TYR C C 62 176.696 176.696 176.791 -0.095 18728 15565 1 16 . 1 1 62 62 TYR CA C 62 58.297 58.297 58.501 -0.204 18728 15566 1 16 . 1 1 62 62 TYR CB C 62 42.217 42.217 40.243 1.974 18728 15567 1 16 . 1 1 62 62 TYR H H 62 8.407 8.407 9.252 -0.845 18728 15568 1 16 . 1 1 63 63 ALA N N 63 121.648 121.648 123.504 -1.856 18728 15569 1 16 . 1 1 63 63 ALA HA H 63 4.052 4.052 4.394 -0.342 18728 15570 1 16 . 1 1 63 63 ALA C C 63 178.252 178.252 177.432 0.820 18728 15571 1 16 . 1 1 63 63 ALA CA C 63 55.269 55.269 53.704 1.565 18728 15572 1 16 . 1 1 63 63 ALA CB C 63 19.068 19.068 19.634 -0.566 18728 15573 1 16 . 1 1 63 63 ALA H H 63 8.749 8.749 8.821 -0.072 18728 15574 1 16 . 1 1 64 64 THR N N 64 105.238 105.238 111.424 -6.186 18728 15575 1 16 . 1 1 64 64 THR HA H 64 4.902 4.902 4.740 0.162 18728 15576 1 16 . 1 1 64 64 THR C C 64 174.667 174.667 174.466 0.201 18728 15577 1 16 . 1 1 64 64 THR CA C 64 59.184 59.184 60.423 -1.239 18728 15578 1 16 . 1 1 64 64 THR CB C 64 73.193 73.193 72.185 1.008 18728 15579 1 16 . 1 1 64 64 THR H H 64 7.992 7.992 7.662 0.330 18728 15580 1 16 . 1 1 65 65 VAL N N 65 120.939 120.939 123.212 -2.273 18728 15581 1 16 . 1 1 65 65 VAL HA H 65 3.670 3.670 3.790 -0.120 18728 15582 1 16 . 1 1 65 65 VAL C C 65 177.446 177.446 176.818 0.628 18728 15583 1 16 . 1 1 65 65 VAL CA C 65 65.535 65.535 64.884 0.651 18728 15584 1 16 . 1 1 65 65 VAL CB C 65 31.538 31.538 32.383 -0.845 18728 15585 1 16 . 1 1 65 65 VAL H H 65 8.968 8.968 9.212 -0.244 18728 15586 1 16 . 1 1 66 66 GLU N N 66 120.818 120.818 119.579 1.239 18728 15587 1 16 . 1 1 66 66 GLU HA H 66 4.045 4.045 3.916 0.129 18728 15588 1 16 . 1 1 66 66 GLU C C 66 180.056 180.056 178.857 1.199 18728 15589 1 16 . 1 1 66 66 GLU CA C 66 60.430 60.430 60.105 0.325 18728 15590 1 16 . 1 1 66 66 GLU CB C 66 28.909 28.909 28.779 0.131 18728 15591 1 16 . 1 1 66 66 GLU H H 66 8.686 8.686 8.744 -0.058 18728 15592 1 16 . 1 1 67 67 GLU N N 67 120.729 120.729 118.111 2.618 18728 15593 1 16 . 1 1 67 67 GLU HA H 67 3.853 3.853 4.027 -0.174 18728 15594 1 16 . 1 1 67 67 GLU C C 67 177.040 177.040 178.277 -1.237 18728 15595 1 16 . 1 1 67 67 GLU CA C 67 59.391 59.391 59.059 0.332 18728 15596 1 16 . 1 1 67 67 GLU CB C 67 29.590 29.590 29.353 0.237 18728 15597 1 16 . 1 1 67 67 GLU H H 67 7.487 7.487 8.230 -0.743 18728 15598 1 16 . 1 1 68 68 VAL N N 68 118.408 118.408 119.604 -1.196 18728 15599 1 16 . 1 1 68 68 VAL HA H 68 3.165 3.165 2.974 0.191 18728 15600 1 16 . 1 1 68 68 VAL C C 68 178.293 178.293 177.279 1.014 18728 15601 1 16 . 1 1 68 68 VAL CA C 68 66.391 66.391 66.745 -0.353 18728 15602 1 16 . 1 1 68 68 VAL CB C 68 31.092 31.092 31.165 -0.073 18728 15603 1 16 . 1 1 68 68 VAL H H 68 6.882 6.882 7.144 -0.262 18728 15604 1 16 . 1 1 69 69 ASP N N 69 119.356 119.356 119.971 -0.615 18728 15605 1 16 . 1 1 69 69 ASP HA H 69 4.128 4.128 4.253 -0.125 18728 15606 1 16 . 1 1 69 69 ASP C C 69 178.765 178.765 178.369 0.396 18728 15607 1 16 . 1 1 69 69 ASP CA C 69 57.394 57.394 57.654 -0.260 18728 15608 1 16 . 1 1 69 69 ASP CB C 69 39.879 39.879 40.832 -0.953 18728 15609 1 16 . 1 1 69 69 ASP H H 69 8.109 8.109 7.516 0.594 18728 15610 1 16 . 1 1 70 70 ALA N N 70 123.031 123.031 121.609 1.422 18728 15611 1 16 . 1 1 70 70 ALA HA H 70 4.070 4.070 4.035 0.035 18728 15612 1 16 . 1 1 70 70 ALA C C 70 180.518 180.518 179.375 1.143 18728 15613 1 16 . 1 1 70 70 ALA CA C 70 55.209 55.209 54.986 0.223 18728 15614 1 16 . 1 1 70 70 ALA CB C 70 18.104 18.104 18.346 -0.242 18728 15615 1 16 . 1 1 70 70 ALA H H 70 7.736 7.736 7.621 0.115 18728 15616 1 16 . 1 1 71 71 ALA N N 71 121.446 121.446 120.350 1.096 18728 15617 1 16 . 1 1 71 71 ALA HA H 71 3.034 3.034 3.759 -0.725 18728 15618 1 16 . 1 1 71 71 ALA C C 71 182.248 182.248 179.732 2.516 18728 15619 1 16 . 1 1 71 71 ALA CA C 71 55.251 55.251 54.737 0.514 18728 15620 1 16 . 1 1 71 71 ALA CB C 71 17.976 17.976 18.409 -0.433 18728 15621 1 16 . 1 1 71 71 ALA H H 71 8.101 8.101 7.335 0.766 18728 15622 1 16 . 1 1 72 72 MET N N 72 118.027 118.027 116.763 1.264 18728 15623 1 16 . 1 1 72 72 MET HA H 72 4.430 4.430 4.158 0.272 18728 15624 1 16 . 1 1 72 72 MET C C 72 179.409 179.409 178.310 1.099 18728 15625 1 16 . 1 1 72 72 MET CA C 72 56.379 56.379 58.440 -2.061 18728 15626 1 16 . 1 1 72 72 MET CB C 72 30.498 30.498 32.020 -1.522 18728 15627 1 16 . 1 1 72 72 MET H H 72 8.681 8.681 8.517 0.164 18728 15628 1 16 . 1 1 73 73 ASN N N 73 119.415 119.415 116.265 3.150 18728 15629 1 16 . 1 1 73 73 ASN HA H 73 4.627 4.627 4.561 0.066 18728 15630 1 16 . 1 1 73 73 ASN C C 73 175.014 175.014 176.074 -1.060 18728 15631 1 16 . 1 1 73 73 ASN CA C 73 54.323 54.323 54.250 0.073 18728 15632 1 16 . 1 1 73 73 ASN CB C 73 38.468 38.468 37.998 0.469 18728 15633 1 16 . 1 1 73 73 ASN H H 73 8.096 8.096 8.137 -0.041 18728 15634 1 16 . 1 1 74 74 ALA N N 74 122.253 122.253 122.193 0.060 18728 15635 1 16 . 1 1 74 74 ALA HA H 74 4.299 4.299 4.186 0.113 18728 15636 1 16 . 1 1 74 74 ALA C C 74 175.305 175.305 177.476 -2.171 18728 15637 1 16 . 1 1 74 74 ALA CA C 74 51.273 51.273 51.651 -0.378 18728 15638 1 16 . 1 1 74 74 ALA CB C 74 18.922 18.922 18.513 0.409 18728 15639 1 16 . 1 1 74 74 ALA H H 74 6.966 6.966 7.087 -0.121 18728 15640 1 16 . 1 1 75 75 ARG N N 75 116.833 116.833 120.196 -3.363 18728 15641 1 16 . 1 1 75 75 ARG HA H 75 3.608 3.608 4.162 -0.554 18728 15642 1 16 . 1 1 75 75 ARG CA C 75 55.086 55.086 55.496 -0.410 18728 15643 1 16 . 1 1 75 75 ARG CB C 75 30.199 30.199 29.816 0.383 18728 15644 1 16 . 1 1 75 75 ARG H H 75 6.749 6.749 7.351 -0.602 18728 15645 1 16 . 1 1 76 76 PRO HA H 76 4.434 4.434 4.591 -0.157 18728 15646 1 16 . 1 1 76 76 PRO C C 76 175.590 175.590 175.656 -0.066 18728 15647 1 16 . 1 1 76 76 PRO CA C 76 61.614 61.614 62.702 -1.088 18728 15648 1 16 . 1 1 76 76 PRO CB C 76 34.982 34.982 33.090 1.892 18728 15649 1 16 . 1 1 77 77 HIS N N 77 122.039 122.039 119.971 2.068 18728 15650 1 16 . 1 1 77 77 HIS HA H 77 4.559 4.559 4.841 -0.282 18728 15651 1 16 . 1 1 77 77 HIS C C 77 173.137 173.137 174.324 -1.187 18728 15652 1 16 . 1 1 77 77 HIS CA C 77 56.231 56.231 55.845 0.386 18728 15653 1 16 . 1 1 77 77 HIS CB C 77 32.909 32.909 33.154 -0.245 18728 15654 1 16 . 1 1 77 77 HIS H H 77 9.384 9.384 8.503 0.881 18728 15655 1 16 . 1 1 78 78 LYS N N 78 125.607 125.607 124.699 0.908 18728 15656 1 16 . 1 1 78 78 LYS HA H 78 4.939 4.939 5.263 -0.324 18728 15657 1 16 . 1 1 78 78 LYS C C 78 174.858 174.858 173.917 0.941 18728 15658 1 16 . 1 1 78 78 LYS CA C 78 54.755 54.755 55.513 -0.758 18728 15659 1 16 . 1 1 78 78 LYS CB C 78 33.475 33.475 34.298 -0.823 18728 15660 1 16 . 1 1 78 78 LYS H H 78 8.485 8.485 8.743 -0.258 18728 15661 1 16 . 1 1 79 79 VAL N N 79 124.596 124.596 123.834 0.762 18728 15662 1 16 . 1 1 79 79 VAL HA H 79 3.955 3.955 3.942 0.013 18728 15663 1 16 . 1 1 79 79 VAL C C 79 176.295 176.295 175.145 1.150 18728 15664 1 16 . 1 1 79 79 VAL CA C 79 60.737 60.737 59.929 0.807 18728 15665 1 16 . 1 1 79 79 VAL CB C 79 33.249 33.249 34.930 -1.681 18728 15666 1 16 . 1 1 79 79 VAL H H 79 8.581 8.581 7.923 0.658 18728 15667 1 16 . 1 1 80 80 ASP N N 80 128.668 128.668 126.295 2.373 18728 15668 1 16 . 1 1 80 80 ASP HA H 80 4.228 4.228 4.310 -0.082 18728 15669 1 16 . 1 1 80 80 ASP C C 80 175.744 175.744 176.076 -0.332 18728 15670 1 16 . 1 1 80 80 ASP CA C 80 55.882 55.882 55.420 0.462 18728 15671 1 16 . 1 1 80 80 ASP CB C 80 39.692 39.692 40.323 -0.631 18728 15672 1 16 . 1 1 80 80 ASP H H 80 9.553 9.553 9.076 0.477 18728 15673 1 16 . 1 1 81 81 GLY N N 81 101.527 101.527 103.639 -2.112 18728 15674 1 16 . 1 1 81 81 GLY C C 81 173.560 173.560 173.508 0.052 18728 15675 1 16 . 1 1 81 81 GLY CA C 81 45.445 45.445 45.601 -0.156 18728 15676 1 16 . 1 1 81 81 GLY H H 81 8.488 8.488 8.594 -0.106 18728 15677 1 16 . 1 1 82 82 ARG N N 82 120.493 120.493 119.645 0.848 18728 15678 1 16 . 1 1 82 82 ARG HA H 82 4.640 4.640 4.670 -0.030 18728 15679 1 16 . 1 1 82 82 ARG C C 82 174.512 174.512 174.460 0.052 18728 15680 1 16 . 1 1 82 82 ARG CA C 82 53.161 53.161 54.287 -1.126 18728 15681 1 16 . 1 1 82 82 ARG CB C 82 32.507 32.507 33.471 -0.964 18728 15682 1 16 . 1 1 82 82 ARG H H 82 7.555 7.555 7.443 0.112 18728 15683 1 16 . 1 1 83 83 VAL N N 83 124.855 124.855 126.981 -2.126 18728 15684 1 16 . 1 1 83 83 VAL HA H 83 4.501 4.501 4.698 -0.197 18728 15685 1 16 . 1 1 83 83 VAL C C 83 176.701 176.701 174.844 1.857 18728 15686 1 16 . 1 1 83 83 VAL CA C 83 63.290 63.290 61.774 1.516 18728 15687 1 16 . 1 1 83 83 VAL CB C 83 30.867 30.867 32.723 -1.856 18728 15688 1 16 . 1 1 83 83 VAL H H 83 8.633 8.633 8.659 -0.026 18728 15689 1 16 . 1 1 84 84 VAL N N 84 122.944 122.944 125.096 -2.152 18728 15690 1 16 . 1 1 84 84 VAL HA H 84 4.667 4.667 4.933 -0.266 18728 15691 1 16 . 1 1 84 84 VAL C C 84 174.969 174.969 174.036 0.933 18728 15692 1 16 . 1 1 84 84 VAL CA C 84 59.499 59.499 59.101 0.398 18728 15693 1 16 . 1 1 84 84 VAL CB C 84 32.761 32.761 35.288 -2.526 18728 15694 1 16 . 1 1 84 84 VAL H H 84 8.391 8.391 8.636 -0.245 18728 15695 1 16 . 1 1 85 85 GLU N N 85 120.907 120.907 122.445 -1.538 18728 15696 1 16 . 1 1 85 85 GLU HA H 85 5.087 5.087 4.953 0.134 18728 15697 1 16 . 1 1 85 85 GLU CA C 85 52.949 52.949 52.476 0.473 18728 15698 1 16 . 1 1 85 85 GLU CB C 85 31.367 31.367 32.019 -0.652 18728 15699 1 16 . 1 1 85 85 GLU H H 85 8.681 8.681 8.992 -0.311 18728 15700 1 16 . 1 1 86 86 PRO HA H 86 5.383 5.383 4.770 0.613 18728 15701 1 16 . 1 1 86 86 PRO C C 86 175.908 175.908 176.004 -0.096 18728 15702 1 16 . 1 1 86 86 PRO CA C 86 61.444 61.444 62.756 -1.312 18728 15703 1 16 . 1 1 86 86 PRO CB C 86 32.657 32.657 32.729 -0.072 18728 15704 1 16 . 1 1 87 87 LYS N N 87 121.252 121.252 119.859 1.393 18728 15705 1 16 . 1 1 87 87 LYS HA H 87 4.688 4.688 4.939 -0.251 18728 15706 1 16 . 1 1 87 87 LYS C C 87 175.676 175.676 177.265 -1.589 18728 15707 1 16 . 1 1 87 87 LYS CA C 87 55.101 55.101 53.494 1.607 18728 15708 1 16 . 1 1 87 87 LYS CB C 87 36.608 36.608 35.959 0.650 18728 15709 1 16 . 1 1 87 87 LYS H H 87 9.397 9.397 8.754 0.643 18728 15710 1 16 . 1 1 88 88 ARG N N 88 123.272 123.272 119.498 3.774 18728 15711 1 16 . 1 1 88 88 ARG HA H 88 4.375 4.375 4.697 -0.322 18728 15712 1 16 . 1 1 88 88 ARG C C 88 177.011 177.011 176.265 0.746 18728 15713 1 16 . 1 1 88 88 ARG CA C 88 57.209 57.209 54.429 2.780 18728 15714 1 16 . 1 1 88 88 ARG CB C 88 30.452 30.452 31.108 -0.656 18728 15715 1 16 . 1 1 88 88 ARG H H 88 8.940 8.940 9.139 -0.199 18728 15716 1 16 . 1 1 89 89 ALA N N 89 126.260 126.260 125.141 1.119 18728 15717 1 16 . 1 1 89 89 ALA HA H 89 4.259 4.259 4.673 -0.414 18728 15718 1 16 . 1 1 89 89 ALA C C 89 177.452 177.452 175.987 1.465 18728 15719 1 16 . 1 1 89 89 ALA CA C 89 53.712 53.712 51.312 2.400 18728 15720 1 16 . 1 1 89 89 ALA CB C 89 18.824 18.824 18.676 0.148 18728 15721 1 16 . 1 1 89 89 ALA H H 89 8.424 8.424 8.278 0.146 18728 15722 1 16 . 1 1 90 90 VAL N N 90 115.835 115.835 123.452 -7.617 18728 15723 1 16 . 1 1 90 90 VAL HA H 90 4.182 4.182 4.171 0.011 18728 15724 1 16 . 1 1 90 90 VAL C C 90 175.397 175.397 176.639 -1.242 18728 15725 1 16 . 1 1 90 90 VAL CA C 90 61.516 61.516 61.920 -0.404 18728 15726 1 16 . 1 1 90 90 VAL CB C 90 33.448 33.448 33.100 0.348 18728 15727 1 16 . 1 1 90 90 VAL H H 90 7.892 7.892 7.742 0.150 18728 15728 1 16 . 1 1 91 91 SER N N 91 119.224 119.224 118.494 0.730 18728 15729 1 16 . 1 1 91 91 SER HA H 91 4.420 4.420 4.251 0.169 18728 15730 1 16 . 1 1 91 91 SER CA C 91 57.888 57.888 58.894 -1.006 18728 15731 1 16 . 1 1 91 91 SER CB C 91 63.788 63.788 64.085 -0.297 18728 15732 1 16 . 1 1 91 91 SER H H 91 8.327 8.327 8.781 -0.454 18728 15733 1 16 . 1 1 92 92 ARG HA H 92 4.231 4.231 4.233 -0.002 18728 15734 1 16 . 1 1 92 92 ARG C C 92 176.651 176.651 177.931 -1.280 18728 15735 1 16 . 1 1 92 92 ARG CA C 92 56.671 56.671 57.672 -1.001 18728 15736 1 16 . 1 1 92 92 ARG CB C 92 30.776 30.776 30.020 0.756 18728 15737 1 16 . 1 1 92 92 ARG H H 92 8.425 8.425 8.908 -0.483 18728 15738 1 16 . 1 1 93 93 GLU N N 93 121.483 121.483 118.786 2.697 18728 15739 1 16 . 1 1 93 93 GLU HA H 93 4.181 4.181 4.013 0.168 18728 15740 1 16 . 1 1 93 93 GLU C C 93 176.605 176.605 177.549 -0.944 18728 15741 1 16 . 1 1 93 93 GLU CA C 93 57.185 57.185 58.986 -1.802 18728 15742 1 16 . 1 1 93 93 GLU CB C 93 30.015 30.015 29.410 0.605 18728 15743 1 16 . 1 1 93 93 GLU H H 93 8.503 8.503 7.668 0.835 18728 15744 1 16 . 1 1 94 94 ASP N N 94 121.305 121.305 117.964 3.341 18728 15745 1 16 . 1 1 94 94 ASP HA H 94 4.540 4.540 4.644 -0.104 18728 15746 1 16 . 1 1 94 94 ASP C C 94 176.744 176.744 178.600 -1.856 18728 15747 1 16 . 1 1 94 94 ASP CA C 94 54.678 54.678 56.619 -1.941 18728 15748 1 16 . 1 1 94 94 ASP CB C 94 41.183 41.183 41.973 -0.790 18728 15749 1 16 . 1 1 94 94 ASP H H 94 8.229 8.229 7.938 0.291 18728 15750 1 16 . 1 1 95 95 SER N N 95 115.787 115.787 114.289 1.498 18728 15751 1 16 . 1 1 95 95 SER HA H 95 4.286 4.286 4.275 0.011 18728 15752 1 16 . 1 1 95 95 SER C C 95 174.602 174.602 175.770 -1.168 18728 15753 1 16 . 1 1 95 95 SER CA C 95 58.957 58.957 60.229 -1.272 18728 15754 1 16 . 1 1 95 95 SER CB C 95 64.524 64.524 62.839 1.685 18728 15755 1 16 . 1 1 95 95 SER H H 95 8.109 8.109 7.699 0.410 18728 15756 1 16 . 1 1 96 96 GLN N N 96 120.796 120.796 121.286 -0.490 18728 15757 1 16 . 1 1 96 96 GLN HA H 96 4.297 4.297 4.083 0.214 18728 15758 1 16 . 1 1 96 96 GLN C C 96 175.742 175.742 176.423 -0.681 18728 15759 1 16 . 1 1 96 96 GLN CA C 96 55.721 55.721 57.460 -1.739 18728 15760 1 16 . 1 1 96 96 GLN CB C 96 29.313 29.313 29.018 0.295 18728 15761 1 16 . 1 1 96 96 GLN H H 96 8.161 8.161 7.563 0.598 18728 15762 1 16 . 1 1 97 97 ARG N N 97 122.462 122.462 119.737 2.725 18728 15763 1 16 . 1 1 97 97 ARG HA H 97 4.552 4.552 4.410 0.142 18728 15764 1 16 . 1 1 97 97 ARG CA C 97 54.096 54.096 53.789 0.307 18728 15765 1 16 . 1 1 97 97 ARG CB C 97 30.115 30.115 29.386 0.729 18728 15766 1 16 . 1 1 97 97 ARG H H 97 8.029 8.029 7.532 0.497 18728 15767 1 16 . 1 1 98 98 PRO HA H 98 4.362 4.362 4.345 0.017 18728 15768 1 16 . 1 1 98 98 PRO C C 98 177.715 177.715 177.207 0.508 18728 15769 1 16 . 1 1 98 98 PRO CA C 98 63.592 63.592 63.561 0.031 18728 15770 1 16 . 1 1 98 98 PRO CB C 98 31.955 31.955 31.693 0.262 18728 15771 1 16 . 1 1 99 99 GLY N N 99 109.572 109.572 112.989 -3.417 18728 15772 1 16 . 1 1 99 99 GLY C C 99 174.356 174.356 174.765 -0.409 18728 15773 1 16 . 1 1 99 99 GLY CA C 99 45.395 45.395 45.364 0.031 18728 15774 1 16 . 1 1 99 99 GLY H H 99 8.516 8.516 8.566 -0.050 18728 15775 1 16 . 1 1 100 100 ALA N N 100 123.418 123.418 122.691 0.727 18728 15776 1 16 . 1 1 100 100 ALA HA H 100 4.141 4.141 4.076 0.065 18728 15777 1 16 . 1 1 100 100 ALA CA C 100 53.160 53.160 53.565 -0.405 18728 15778 1 16 . 1 1 100 100 ALA CB C 100 19.185 19.185 19.522 -0.337 18728 15779 1 16 . 1 1 100 100 ALA H H 100 8.015 8.015 7.260 0.755 18728 15780 1 16 . 1 1 101 101 HIS HA H 101 4.502 4.502 4.499 0.003 18728 15781 1 16 . 1 1 101 101 HIS C C 101 175.102 175.102 174.949 0.153 18728 15782 1 16 . 1 1 101 101 HIS CA C 101 56.309 56.309 56.699 -0.390 18728 15783 1 16 . 1 1 101 101 HIS CB C 101 30.450 30.450 28.060 2.390 18728 15784 1 16 . 1 1 102 102 LEU N N 102 122.495 122.495 119.187 3.308 18728 15785 1 16 . 1 1 102 102 LEU HA H 102 4.263 4.263 4.478 -0.215 18728 15786 1 16 . 1 1 102 102 LEU C C 102 177.020 177.020 177.274 -0.254 18728 15787 1 16 . 1 1 102 102 LEU CA C 102 54.934 54.934 53.829 1.105 18728 15788 1 16 . 1 1 102 102 LEU CB C 102 42.414 42.414 43.033 -0.619 18728 15789 1 16 . 1 1 102 102 LEU H H 102 7.774 7.774 7.223 0.551 18728 15790 1 16 . 1 1 103 103 THR N N 103 115.720 115.720 115.486 0.234 18728 15791 1 16 . 1 1 103 103 THR HA H 103 4.220 4.220 4.082 0.138 18728 15792 1 16 . 1 1 103 103 THR C C 103 174.185 174.185 173.560 0.625 18728 15793 1 16 . 1 1 103 103 THR CA C 103 60.917 60.917 62.258 -1.341 18728 15794 1 16 . 1 1 103 103 THR CB C 103 69.340 69.340 67.620 1.720 18728 15795 1 16 . 1 1 103 103 THR H H 103 8.001 8.001 8.201 -0.200 18728 15796 1 16 . 1 1 104 104 VAL N N 104 122.004 122.004 126.609 -4.605 18728 15797 1 16 . 1 1 104 104 VAL HA H 104 4.330 4.330 4.237 0.093 18728 15798 1 16 . 1 1 104 104 VAL C C 104 175.294 175.294 175.098 0.196 18728 15799 1 16 . 1 1 104 104 VAL CA C 104 61.877 61.877 61.625 0.252 18728 15800 1 16 . 1 1 104 104 VAL CB C 104 34.220 34.220 32.936 1.284 18728 15801 1 16 . 1 1 104 104 VAL H H 104 8.191 8.191 7.921 0.270 18728 15802 1 16 . 1 1 105 105 LYS N N 105 121.406 121.406 125.804 -4.398 18728 15803 1 16 . 1 1 105 105 LYS HA H 105 4.498 4.498 4.489 0.009 18728 15804 1 16 . 1 1 105 105 LYS C C 105 173.482 173.482 175.496 -2.014 18728 15805 1 16 . 1 1 105 105 LYS CA C 105 56.433 56.433 55.808 0.625 18728 15806 1 16 . 1 1 105 105 LYS CB C 105 33.245 33.245 32.758 0.487 18728 15807 1 16 . 1 1 105 105 LYS H H 105 8.672 8.672 8.764 -0.092 18728 15808 1 16 . 1 1 106 106 LYS N N 106 121.756 121.756 119.354 2.402 18728 15809 1 16 . 1 1 106 106 LYS HA H 106 5.623 5.623 5.456 0.167 18728 15810 1 16 . 1 1 106 106 LYS C C 106 175.153 175.153 175.332 -0.179 18728 15811 1 16 . 1 1 106 106 LYS CA C 106 54.537 54.537 54.842 -0.305 18728 15812 1 16 . 1 1 106 106 LYS CB C 106 37.407 37.407 36.327 1.080 18728 15813 1 16 . 1 1 106 106 LYS H H 106 7.134 7.134 7.752 -0.618 18728 15814 1 16 . 1 1 107 107 ILE N N 107 115.982 115.982 118.343 -2.361 18728 15815 1 16 . 1 1 107 107 ILE HA H 107 5.110 5.110 5.094 0.016 18728 15816 1 16 . 1 1 107 107 ILE C C 107 174.525 174.525 173.855 0.670 18728 15817 1 16 . 1 1 107 107 ILE CA C 107 59.009 59.009 59.316 -0.307 18728 15818 1 16 . 1 1 107 107 ILE CB C 107 40.552 40.552 41.513 -0.961 18728 15819 1 16 . 1 1 107 107 ILE H H 107 8.948 8.948 8.267 0.681 18728 15820 1 16 . 1 1 108 108 PHE N N 108 124.182 124.182 124.431 -0.249 18728 15821 1 16 . 1 1 108 108 PHE HA H 108 4.696 4.696 4.822 -0.126 18728 15822 1 16 . 1 1 108 108 PHE C C 108 173.422 173.422 173.319 0.103 18728 15823 1 16 . 1 1 108 108 PHE CA C 108 56.567 56.567 55.720 0.847 18728 15824 1 16 . 1 1 108 108 PHE CB C 108 41.596 41.596 42.081 -0.485 18728 15825 1 16 . 1 1 108 108 PHE H H 108 9.103 9.103 9.074 0.029 18728 15826 1 16 . 1 1 109 109 VAL N N 109 126.956 126.956 127.599 -0.643 18728 15827 1 16 . 1 1 109 109 VAL HA H 109 4.497 4.497 4.916 -0.419 18728 15828 1 16 . 1 1 109 109 VAL C C 109 174.097 174.097 174.469 -0.372 18728 15829 1 16 . 1 1 109 109 VAL CA C 109 60.493 60.493 60.220 0.273 18728 15830 1 16 . 1 1 109 109 VAL CB C 109 33.266 33.266 32.866 0.400 18728 15831 1 16 . 1 1 109 109 VAL H H 109 8.338 8.338 8.337 0.001 18728 15832 1 16 . 1 1 110 110 GLY N N 110 113.617 113.617 113.330 0.287 18728 15833 1 16 . 1 1 110 110 GLY C C 110 174.325 174.325 173.407 0.918 18728 15834 1 16 . 1 1 110 110 GLY CA C 110 44.011 44.011 43.147 0.864 18728 15835 1 16 . 1 1 110 110 GLY H H 110 9.173 9.173 8.585 0.588 18728 15836 1 16 . 1 1 111 111 GLY N N 111 106.411 106.411 108.879 -2.468 18728 15837 1 16 . 1 1 111 111 GLY CA C 111 46.359 46.359 44.993 1.366 18728 15838 1 16 . 1 1 111 111 GLY H H 111 8.221 8.221 8.456 -0.235 18728 15839 1 16 . 1 1 116 116 THR HA H 116 4.322 4.322 4.501 -0.179 18728 15840 1 16 . 1 1 116 116 THR C C 116 173.380 173.380 174.533 -1.153 18728 15841 1 16 . 1 1 116 116 THR CA C 116 63.000 63.000 62.868 0.132 18728 15842 1 16 . 1 1 117 117 GLU N N 117 130.298 130.298 125.070 5.228 18728 15843 1 16 . 1 1 117 117 GLU HA H 117 4.632 4.632 4.394 0.238 18728 15844 1 16 . 1 1 117 117 GLU C C 117 177.632 177.632 177.027 0.605 18728 15845 1 16 . 1 1 117 117 GLU CA C 117 53.853 53.853 54.565 -0.712 18728 15846 1 16 . 1 1 117 117 GLU CB C 117 32.977 32.977 31.459 1.518 18728 15847 1 16 . 1 1 117 117 GLU H H 117 11.190 11.190 8.040 3.150 18728 15848 1 16 . 1 1 118 118 GLU N N 118 122.126 122.126 122.247 -0.121 18728 15849 1 16 . 1 1 118 118 GLU HA H 118 3.627 3.627 3.958 -0.331 18728 15850 1 16 . 1 1 118 118 GLU C C 118 179.294 179.294 178.059 1.235 18728 15851 1 16 . 1 1 118 118 GLU CA C 118 61.689 61.689 60.734 0.955 18728 15852 1 16 . 1 1 118 118 GLU CB C 118 29.075 29.075 29.615 -0.540 18728 15853 1 16 . 1 1 118 118 GLU H H 118 9.339 9.339 8.802 0.537 18728 15854 1 16 . 1 1 119 119 HIS N N 119 113.514 113.514 116.305 -2.791 18728 15855 1 16 . 1 1 119 119 HIS HA H 119 4.265 4.265 4.379 -0.114 18728 15856 1 16 . 1 1 119 119 HIS C C 119 176.566 176.566 178.009 -1.443 18728 15857 1 16 . 1 1 119 119 HIS CA C 119 58.917 58.917 59.102 -0.185 18728 15858 1 16 . 1 1 119 119 HIS CB C 119 28.187 28.187 29.651 -1.464 18728 15859 1 16 . 1 1 119 119 HIS H H 119 8.240 8.240 8.716 -0.476 18728 15860 1 16 . 1 1 120 120 HIS N N 120 118.629 118.629 117.748 0.881 18728 15861 1 16 . 1 1 120 120 HIS HA H 120 4.332 4.332 4.204 0.128 18728 15862 1 16 . 1 1 120 120 HIS C C 120 179.713 179.713 177.402 2.311 18728 15863 1 16 . 1 1 120 120 HIS CA C 120 60.310 60.310 58.679 1.631 18728 15864 1 16 . 1 1 120 120 HIS CB C 120 32.233 32.233 30.245 1.988 18728 15865 1 16 . 1 1 120 120 HIS H H 120 6.474 6.474 7.338 -0.864 18728 15866 1 16 . 1 1 121 121 LEU N N 121 117.249 117.249 116.200 1.049 18728 15867 1 16 . 1 1 121 121 LEU HA H 121 4.179 4.179 4.396 -0.217 18728 15868 1 16 . 1 1 121 121 LEU C C 121 178.020 178.020 178.507 -0.487 18728 15869 1 16 . 1 1 121 121 LEU CA C 121 57.924 57.924 57.619 0.305 18728 15870 1 16 . 1 1 121 121 LEU CB C 121 42.577 42.577 41.602 0.975 18728 15871 1 16 . 1 1 121 121 LEU H H 121 7.132 7.132 7.728 -0.596 18728 15872 1 16 . 1 1 122 122 ARG N N 122 121.766 121.766 121.219 0.547 18728 15873 1 16 . 1 1 122 122 ARG HA H 122 3.741 3.741 4.015 -0.274 18728 15874 1 16 . 1 1 122 122 ARG C C 122 177.023 177.023 177.934 -0.911 18728 15875 1 16 . 1 1 122 122 ARG CA C 122 60.508 60.508 59.959 0.549 18728 15876 1 16 . 1 1 122 122 ARG CB C 122 30.256 30.256 29.793 0.463 18728 15877 1 16 . 1 1 122 122 ARG H H 122 8.759 8.759 8.799 -0.040 18728 15878 1 16 . 1 1 123 123 ASP N N 123 116.299 116.299 117.817 -1.518 18728 15879 1 16 . 1 1 123 123 ASP HA H 123 4.294 4.294 4.361 -0.067 18728 15880 1 16 . 1 1 123 123 ASP C C 123 178.057 178.057 178.071 -0.014 18728 15881 1 16 . 1 1 123 123 ASP CA C 123 57.076 57.076 56.989 0.087 18728 15882 1 16 . 1 1 123 123 ASP CB C 123 40.572 40.572 40.509 0.063 18728 15883 1 16 . 1 1 123 123 ASP H H 123 8.423 8.423 7.780 0.643 18728 15884 1 16 . 1 1 124 124 TYR N N 124 115.172 115.172 119.967 -4.795 18728 15885 1 16 . 1 1 124 124 TYR HA H 124 4.338 4.338 4.197 0.141 18728 15886 1 16 . 1 1 124 124 TYR C C 124 177.688 177.688 177.790 -0.102 18728 15887 1 16 . 1 1 124 124 TYR CA C 124 61.660 61.660 61.151 0.509 18728 15888 1 16 . 1 1 124 124 TYR CB C 124 39.847 39.847 38.825 1.022 18728 15889 1 16 . 1 1 124 124 TYR H H 124 7.212 7.212 7.383 -0.171 18728 15890 1 16 . 1 1 125 125 PHE N N 125 113.932 113.932 117.586 -3.654 18728 15891 1 16 . 1 1 125 125 PHE HA H 125 4.515 4.515 4.239 0.276 18728 15892 1 16 . 1 1 125 125 PHE C C 125 178.209 178.209 178.392 -0.183 18728 15893 1 16 . 1 1 125 125 PHE CA C 125 63.404 63.404 61.033 2.371 18728 15894 1 16 . 1 1 125 125 PHE CB C 125 38.614 38.614 38.428 0.186 18728 15895 1 16 . 1 1 125 125 PHE H H 125 8.802 8.802 8.944 -0.142 18728 15896 1 16 . 1 1 126 126 GLU N N 126 120.515 120.515 119.949 0.566 18728 15897 1 16 . 1 1 126 126 GLU HA H 126 4.884 4.884 4.505 0.379 18728 15898 1 16 . 1 1 126 126 GLU C C 126 177.936 177.936 178.660 -0.724 18728 15899 1 16 . 1 1 126 126 GLU CA C 126 58.560 58.560 58.867 -0.307 18728 15900 1 16 . 1 1 126 126 GLU CB C 126 28.516 28.516 28.979 -0.463 18728 15901 1 16 . 1 1 126 126 GLU H H 126 8.869 8.869 8.320 0.549 18728 15902 1 16 . 1 1 127 127 GLN N N 127 115.855 115.855 117.144 -1.289 18728 15903 1 16 . 1 1 127 127 GLN HA H 127 4.055 4.055 4.009 0.046 18728 15904 1 16 . 1 1 127 127 GLN C C 127 176.656 176.656 177.575 -0.919 18728 15905 1 16 . 1 1 127 127 GLN CA C 127 57.566 57.566 58.043 -0.477 18728 15906 1 16 . 1 1 127 127 GLN CB C 127 29.047 29.047 28.704 0.343 18728 15907 1 16 . 1 1 127 127 GLN H H 127 7.105 7.105 7.695 -0.590 18728 15908 1 16 . 1 1 128 128 TYR N N 128 116.626 116.626 116.529 0.097 18728 15909 1 16 . 1 1 128 128 TYR HA H 128 4.328 4.328 4.385 -0.057 18728 15910 1 16 . 1 1 128 128 TYR C C 128 175.596 175.596 175.345 0.251 18728 15911 1 16 . 1 1 128 128 TYR CA C 128 59.492 59.492 59.652 -0.160 18728 15912 1 16 . 1 1 128 128 TYR CB C 128 39.539 39.539 39.798 -0.259 18728 15913 1 16 . 1 1 128 128 TYR H H 128 7.950 7.950 7.869 0.081 18728 15914 1 16 . 1 1 129 129 GLY N N 129 107.386 107.386 102.309 5.077 18728 15915 1 16 . 1 1 129 129 GLY C C 129 170.407 170.407 172.205 -1.798 18728 15916 1 16 . 1 1 129 129 GLY CA C 129 44.819 44.819 44.974 -0.155 18728 15917 1 16 . 1 1 129 129 GLY H H 129 7.492 7.492 7.426 0.066 18728 15918 1 16 . 1 1 130 130 LYS N N 130 117.786 117.786 121.602 -3.816 18728 15919 1 16 . 1 1 130 130 LYS HA H 130 4.315 4.315 4.813 -0.498 18728 15920 1 16 . 1 1 130 130 LYS C C 130 177.097 177.097 175.903 1.194 18728 15921 1 16 . 1 1 130 130 LYS CA C 130 56.938 56.938 56.252 0.686 18728 15922 1 16 . 1 1 130 130 LYS CB C 130 33.199 33.199 33.551 -0.352 18728 15923 1 16 . 1 1 130 130 LYS H H 130 8.135 8.135 8.612 -0.477 18728 15924 1 16 . 1 1 131 131 ILE N N 131 127.829 127.829 127.029 0.800 18728 15925 1 16 . 1 1 131 131 ILE HA H 131 3.681 3.681 3.969 -0.288 18728 15926 1 16 . 1 1 131 131 ILE C C 131 175.841 175.841 175.916 -0.075 18728 15927 1 16 . 1 1 131 131 ILE CA C 131 61.625 61.625 60.483 1.143 18728 15928 1 16 . 1 1 131 131 ILE CB C 131 40.441 40.441 39.737 0.704 18728 15929 1 16 . 1 1 131 131 ILE H H 131 8.917 8.917 9.162 -0.245 18728 15930 1 16 . 1 1 132 132 GLU N N 132 128.437 128.437 127.197 1.240 18728 15931 1 16 . 1 1 132 132 GLU HA H 132 4.320 4.320 4.377 -0.057 18728 15932 1 16 . 1 1 132 132 GLU C C 132 176.192 176.192 175.605 0.587 18728 15933 1 16 . 1 1 132 132 GLU CA C 132 57.816 57.816 57.721 0.095 18728 15934 1 16 . 1 1 132 132 GLU CB C 132 31.670 31.670 31.418 0.252 18728 15935 1 16 . 1 1 132 132 GLU H H 132 9.136 9.136 8.738 0.398 18728 15936 1 16 . 1 1 133 133 VAL N N 133 115.096 115.096 117.778 -2.682 18728 15937 1 16 . 1 1 133 133 VAL HA H 133 4.316 4.316 4.329 -0.013 18728 15938 1 16 . 1 1 133 133 VAL C C 133 172.860 172.860 173.741 -0.881 18728 15939 1 16 . 1 1 133 133 VAL CA C 133 61.258 61.258 61.055 0.203 18728 15940 1 16 . 1 1 133 133 VAL CB C 133 35.526 35.526 35.349 0.178 18728 15941 1 16 . 1 1 133 133 VAL H H 133 7.272 7.272 7.482 -0.210 18728 15942 1 16 . 1 1 134 134 ILE N N 134 126.870 126.870 125.620 1.250 18728 15943 1 16 . 1 1 134 134 ILE HA H 134 4.464 4.464 4.368 0.096 18728 15944 1 16 . 1 1 134 134 ILE C C 134 174.004 174.004 174.869 -0.865 18728 15945 1 16 . 1 1 134 134 ILE CA C 134 60.904 60.904 60.424 0.480 18728 15946 1 16 . 1 1 134 134 ILE CB C 134 40.408 40.408 39.468 0.940 18728 15947 1 16 . 1 1 134 134 ILE H H 134 8.566 8.566 8.565 0.001 18728 15948 1 16 . 1 1 135 135 GLU N N 135 128.037 128.037 128.753 -0.716 18728 15949 1 16 . 1 1 135 135 GLU HA H 135 4.642 4.642 4.667 -0.025 18728 15950 1 16 . 1 1 135 135 GLU C C 135 174.883 174.883 175.241 -0.358 18728 15951 1 16 . 1 1 135 135 GLU CA C 135 54.640 54.640 55.160 -0.520 18728 15952 1 16 . 1 1 135 135 GLU CB C 135 33.259 33.259 30.701 2.558 18728 15953 1 16 . 1 1 135 135 GLU H H 135 9.019 9.019 8.624 0.395 18728 15954 1 16 . 1 1 136 136 ILE N N 136 126.668 126.668 125.481 1.187 18728 15955 1 16 . 1 1 136 136 ILE HA H 136 3.898 3.898 4.266 -0.368 18728 15956 1 16 . 1 1 136 136 ILE C C 136 176.157 176.157 175.114 1.043 18728 15957 1 16 . 1 1 136 136 ILE CA C 136 61.336 61.336 59.796 1.540 18728 15958 1 16 . 1 1 136 136 ILE CB C 136 37.397 37.397 37.703 -0.306 18728 15959 1 16 . 1 1 136 136 ILE H H 136 8.967 8.967 8.601 0.366 18728 15960 1 16 . 1 1 137 137 MET N N 137 126.115 126.115 128.174 -2.059 18728 15961 1 16 . 1 1 137 137 MET HA H 137 4.679 4.679 4.769 -0.090 18728 15962 1 16 . 1 1 137 137 MET C C 137 176.723 176.723 175.101 1.622 18728 15963 1 16 . 1 1 137 137 MET CA C 137 55.163 55.163 52.931 2.232 18728 15964 1 16 . 1 1 137 137 MET CB C 137 30.841 30.841 31.321 -0.480 18728 15965 1 16 . 1 1 137 137 MET H H 137 7.656 7.656 8.651 -0.995 18728 15966 1 16 . 1 1 138 138 THR N N 138 116.735 116.735 115.700 1.035 18728 15967 1 16 . 1 1 138 138 THR HA H 138 4.746 4.746 4.770 -0.024 18728 15968 1 16 . 1 1 138 138 THR C C 138 173.642 173.642 173.522 0.120 18728 15969 1 16 . 1 1 138 138 THR CA C 138 60.385 60.385 59.950 0.434 18728 15970 1 16 . 1 1 138 138 THR CB C 138 72.028 72.028 71.797 0.231 18728 15971 1 16 . 1 1 138 138 THR H H 138 8.551 8.551 8.455 0.096 18728 15972 1 16 . 1 1 139 139 ASP N N 139 123.899 123.899 121.850 2.049 18728 15973 1 16 . 1 1 139 139 ASP HA H 139 4.677 4.677 4.665 0.012 18728 15974 1 16 . 1 1 139 139 ASP CA C 139 53.728 53.728 53.901 -0.173 18728 15975 1 16 . 1 1 139 139 ASP CB C 139 42.270 42.270 42.704 -0.434 18728 15976 1 16 . 1 1 139 139 ASP H H 139 8.818 8.818 8.678 0.140 18728 15977 1 16 . 1 1 140 140 ARG HA H 140 4.037 4.037 4.293 -0.256 18728 15978 1 16 . 1 1 140 140 ARG C C 140 177.886 177.886 176.859 1.027 18728 15979 1 16 . 1 1 140 140 ARG CB C 140 29.886 29.886 29.850 0.036 18728 15980 1 16 . 1 1 141 141 GLY N N 141 107.951 107.951 109.765 -1.814 18728 15981 1 16 . 1 1 141 141 GLY C C 141 174.861 174.861 175.593 -0.732 18728 15982 1 16 . 1 1 141 141 GLY CA C 141 46.490 46.490 45.700 0.790 18728 15983 1 16 . 1 1 141 141 GLY H H 141 8.635 8.635 8.674 -0.039 18728 15984 1 16 . 1 1 142 142 SER N N 142 114.044 114.044 116.074 -2.030 18728 15985 1 16 . 1 1 142 142 SER HA H 142 4.533 4.533 4.521 0.012 18728 15986 1 16 . 1 1 142 142 SER C C 142 176.080 176.080 175.619 0.461 18728 15987 1 16 . 1 1 142 142 SER CA C 142 58.429 58.429 58.637 -0.208 18728 15988 1 16 . 1 1 142 142 SER CB C 142 65.439 65.439 65.725 -0.286 18728 15989 1 16 . 1 1 142 142 SER H H 142 8.034 8.034 8.724 -0.690 18728 15990 1 16 . 1 1 143 143 GLY N N 143 112.348 112.348 110.779 1.569 18728 15991 1 16 . 1 1 143 143 GLY C C 143 173.949 173.949 174.216 -0.267 18728 15992 1 16 . 1 1 143 143 GLY CA C 143 45.703 45.703 45.149 0.554 18728 15993 1 16 . 1 1 143 143 GLY H H 143 8.363 8.363 7.955 0.408 18728 15994 1 16 . 1 1 144 144 LYS N N 144 119.966 119.966 121.193 -1.227 18728 15995 1 16 . 1 1 144 144 LYS HA H 144 4.273 4.273 4.414 -0.141 18728 15996 1 16 . 1 1 144 144 LYS C C 144 176.969 176.969 176.435 0.534 18728 15997 1 16 . 1 1 144 144 LYS CA C 144 56.145 56.145 55.137 1.008 18728 15998 1 16 . 1 1 144 144 LYS CB C 144 33.378 33.378 33.270 0.108 18728 15999 1 16 . 1 1 144 144 LYS H H 144 7.786 7.786 7.387 0.399 18728 16000 1 16 . 1 1 145 145 LYS N N 145 123.668 123.668 120.633 3.035 18728 16001 1 16 . 1 1 145 145 LYS HA H 145 4.187 4.187 4.200 -0.013 18728 16002 1 16 . 1 1 145 145 LYS C C 145 177.498 177.498 177.270 0.228 18728 16003 1 16 . 1 1 145 145 LYS CA C 145 57.392 57.392 56.483 0.909 18728 16004 1 16 . 1 1 145 145 LYS CB C 145 32.577 32.577 31.682 0.895 18728 16005 1 16 . 1 1 145 145 LYS H H 145 8.968 8.968 8.520 0.448 18728 16006 1 16 . 1 1 146 146 ARG N N 146 119.700 119.700 123.294 -3.594 18728 16007 1 16 . 1 1 146 146 ARG HA H 146 4.294 4.294 4.197 0.097 18728 16008 1 16 . 1 1 146 146 ARG CA C 146 56.365 56.365 55.308 1.057 18728 16009 1 16 . 1 1 146 146 ARG CB C 146 30.786 30.786 30.165 0.621 18728 16010 1 16 . 1 1 146 146 ARG H H 146 8.095 8.095 8.240 -0.145 18728 16011 1 16 . 1 1 147 147 GLY N N 147 110.572 110.572 106.520 4.052 18728 16012 1 16 . 1 1 147 147 GLY C C 147 173.384 173.384 172.990 0.394 18728 16013 1 16 . 1 1 147 147 GLY CA C 147 45.440 45.440 45.118 0.322 18728 16014 1 16 . 1 1 147 147 GLY H H 147 8.401 8.401 8.575 -0.174 18728 16015 1 16 . 1 1 148 148 PHE N N 148 114.199 114.199 114.852 -0.653 18728 16016 1 16 . 1 1 148 148 PHE HA H 148 5.194 5.194 5.558 -0.364 18728 16017 1 16 . 1 1 148 148 PHE C C 148 172.409 172.409 172.812 -0.403 18728 16018 1 16 . 1 1 148 148 PHE CA C 148 55.282 55.282 54.488 0.794 18728 16019 1 16 . 1 1 148 148 PHE CB C 148 41.869 41.869 41.501 0.368 18728 16020 1 16 . 1 1 148 148 PHE H H 148 7.255 7.255 6.921 0.334 18728 16021 1 16 . 1 1 149 149 ALA N N 149 121.427 121.427 120.317 1.110 18728 16022 1 16 . 1 1 149 149 ALA HA H 149 4.966 4.966 4.748 0.218 18728 16023 1 16 . 1 1 149 149 ALA C C 149 174.084 174.084 174.444 -0.360 18728 16024 1 16 . 1 1 149 149 ALA CA C 149 49.755 49.755 50.625 -0.870 18728 16025 1 16 . 1 1 149 149 ALA CB C 149 25.094 25.094 22.601 2.493 18728 16026 1 16 . 1 1 149 149 ALA H H 149 8.786 8.786 8.720 0.066 18728 16027 1 16 . 1 1 150 150 PHE N N 150 114.425 114.425 116.541 -2.116 18728 16028 1 16 . 1 1 150 150 PHE HA H 150 5.874 5.874 5.666 0.208 18728 16029 1 16 . 1 1 150 150 PHE C C 150 176.196 176.196 174.559 1.637 18728 16030 1 16 . 1 1 150 150 PHE CA C 150 56.070 56.070 56.703 -0.632 18728 16031 1 16 . 1 1 150 150 PHE CB C 150 43.251 43.251 44.307 -1.056 18728 16032 1 16 . 1 1 150 150 PHE H H 150 8.689 8.689 9.127 -0.438 18728 16033 1 16 . 1 1 151 151 VAL N N 151 122.489 122.489 120.989 1.500 18728 16034 1 16 . 1 1 151 151 VAL HA H 151 4.375 4.375 4.536 -0.161 18728 16035 1 16 . 1 1 151 151 VAL C C 151 173.932 173.932 173.875 0.057 18728 16036 1 16 . 1 1 151 151 VAL CA C 151 61.454 61.454 60.542 0.912 18728 16037 1 16 . 1 1 151 151 VAL CB C 151 33.869 33.869 35.608 -1.739 18728 16038 1 16 . 1 1 151 151 VAL H H 151 8.559 8.559 8.418 0.141 18728 16039 1 16 . 1 1 152 152 THR N N 152 123.112 123.112 125.341 -2.229 18728 16040 1 16 . 1 1 152 152 THR HA H 152 4.995 4.995 4.902 0.093 18728 16041 1 16 . 1 1 152 152 THR C C 152 174.047 174.047 173.876 0.171 18728 16042 1 16 . 1 1 152 152 THR CA C 152 61.931 61.931 62.352 -0.421 18728 16043 1 16 . 1 1 152 152 THR CB C 152 69.689 69.689 69.317 0.372 18728 16044 1 16 . 1 1 152 152 THR H H 152 8.723 8.723 8.874 -0.151 18728 16045 1 16 . 1 1 153 153 PHE N N 153 127.746 127.746 126.747 0.999 18728 16046 1 16 . 1 1 153 153 PHE HA H 153 4.840 4.840 4.617 0.223 18728 16047 1 16 . 1 1 153 153 PHE C C 153 174.720 174.720 175.222 -0.502 18728 16048 1 16 . 1 1 153 153 PHE CA C 153 58.098 58.098 58.412 -0.314 18728 16049 1 16 . 1 1 153 153 PHE CB C 153 41.706 41.706 41.409 0.297 18728 16050 1 16 . 1 1 153 153 PHE H H 153 9.368 9.368 9.240 0.128 18728 16051 1 16 . 1 1 154 154 ASP N N 154 118.371 118.371 120.370 -1.999 18728 16052 1 16 . 1 1 154 154 ASP HA H 154 4.486 4.486 4.538 -0.052 18728 16053 1 16 . 1 1 154 154 ASP C C 154 175.668 175.668 175.541 0.127 18728 16054 1 16 . 1 1 154 154 ASP CA C 154 56.114 56.114 56.394 -0.280 18728 16055 1 16 . 1 1 154 154 ASP CB C 154 42.576 42.576 42.515 0.061 18728 16056 1 16 . 1 1 154 154 ASP H H 154 8.196 8.196 9.055 -0.859 18728 16057 1 16 . 1 1 155 155 ASP N N 155 117.144 117.144 115.967 1.177 18728 16058 1 16 . 1 1 155 155 ASP HA H 155 4.909 4.909 4.863 0.046 18728 16059 1 16 . 1 1 155 155 ASP C C 155 176.392 176.392 176.081 0.311 18728 16060 1 16 . 1 1 155 155 ASP CA C 155 52.615 52.615 52.363 0.252 18728 16061 1 16 . 1 1 155 155 ASP CB C 155 44.471 44.471 44.164 0.307 18728 16062 1 16 . 1 1 155 155 ASP H H 155 8.323 8.323 7.925 0.398 18728 16063 1 16 . 1 1 156 156 HIS N N 156 121.508 121.508 120.156 1.352 18728 16064 1 16 . 1 1 156 156 HIS HA H 156 4.336 4.336 4.574 -0.238 18728 16065 1 16 . 1 1 156 156 HIS C C 156 176.855 176.855 176.412 0.443 18728 16066 1 16 . 1 1 156 156 HIS CA C 156 58.593 58.593 57.393 1.200 18728 16067 1 16 . 1 1 156 156 HIS CB C 156 29.703 29.703 30.086 -0.383 18728 16068 1 16 . 1 1 156 156 HIS H H 156 8.492 8.492 8.545 -0.053 18728 16069 1 16 . 1 1 157 157 ASP N N 157 122.539 122.539 120.505 2.034 18728 16070 1 16 . 1 1 157 157 ASP HA H 157 4.254 4.254 4.225 0.029 18728 16071 1 16 . 1 1 157 157 ASP C C 157 178.233 178.233 178.147 0.086 18728 16072 1 16 . 1 1 157 157 ASP CA C 157 57.047 57.047 57.529 -0.482 18728 16073 1 16 . 1 1 157 157 ASP CB C 157 40.875 40.875 40.620 0.256 18728 16074 1 16 . 1 1 157 157 ASP H H 157 8.345 8.345 8.462 -0.117 18728 16075 1 16 . 1 1 158 158 SER N N 158 113.623 113.623 113.875 -0.252 18728 16076 1 16 . 1 1 158 158 SER HA H 158 3.899 3.899 4.191 -0.292 18728 16077 1 16 . 1 1 158 158 SER C C 158 174.750 174.750 175.768 -1.018 18728 16078 1 16 . 1 1 158 158 SER CA C 158 61.914 61.914 61.049 0.865 18728 16079 1 16 . 1 1 158 158 SER CB C 158 63.088 63.088 62.474 0.614 18728 16080 1 16 . 1 1 158 158 SER H H 158 7.424 7.424 7.582 -0.158 18728 16081 1 16 . 1 1 159 159 VAL N N 159 118.448 118.448 122.665 -4.217 18728 16082 1 16 . 1 1 159 159 VAL HA H 159 2.913 2.913 3.418 -0.505 18728 16083 1 16 . 1 1 159 159 VAL C C 159 177.269 177.269 177.327 -0.058 18728 16084 1 16 . 1 1 159 159 VAL CA C 159 66.512 66.512 65.732 0.780 18728 16085 1 16 . 1 1 159 159 VAL CB C 159 31.395 31.395 31.228 0.167 18728 16086 1 16 . 1 1 159 159 VAL H H 159 6.484 6.484 7.250 -0.766 18728 16087 1 16 . 1 1 160 160 ASP N N 160 119.064 119.064 119.070 -0.006 18728 16088 1 16 . 1 1 160 160 ASP HA H 160 4.275 4.275 4.389 -0.114 18728 16089 1 16 . 1 1 160 160 ASP C C 160 178.284 178.284 178.123 0.161 18728 16090 1 16 . 1 1 160 160 ASP CA C 160 57.798 57.798 56.647 1.151 18728 16091 1 16 . 1 1 160 160 ASP CB C 160 40.288 40.288 40.544 -0.256 18728 16092 1 16 . 1 1 160 160 ASP H H 160 7.663 7.663 8.375 -0.712 18728 16093 1 16 . 1 1 161 161 LYS N N 161 116.568 116.568 118.528 -1.960 18728 16094 1 16 . 1 1 161 161 LYS HA H 161 4.030 4.030 4.103 -0.073 18728 16095 1 16 . 1 1 161 161 LYS C C 161 178.205 178.205 178.090 0.115 18728 16096 1 16 . 1 1 161 161 LYS CA C 161 58.796 58.796 59.269 -0.472 18728 16097 1 16 . 1 1 161 161 LYS CB C 161 33.298 33.298 32.710 0.588 18728 16098 1 16 . 1 1 161 161 LYS H H 161 7.465 7.465 7.412 0.053 18728 16099 1 16 . 1 1 162 162 ILE N N 162 119.457 119.457 117.150 2.307 18728 16100 1 16 . 1 1 162 162 ILE HA H 162 3.241 3.241 3.645 -0.404 18728 16101 1 16 . 1 1 162 162 ILE C C 162 179.129 179.129 177.852 1.277 18728 16102 1 16 . 1 1 162 162 ILE CA C 162 65.201 65.201 64.364 0.837 18728 16103 1 16 . 1 1 162 162 ILE CB C 162 39.170 39.170 38.085 1.085 18728 16104 1 16 . 1 1 162 162 ILE H H 162 7.367 7.367 6.997 0.370 18728 16105 1 16 . 1 1 163 163 VAL N N 163 109.705 109.705 116.339 -6.634 18728 16106 1 16 . 1 1 163 163 VAL HA H 163 4.093 4.093 4.011 0.082 18728 16107 1 16 . 1 1 163 163 VAL C C 163 176.685 176.685 176.586 0.099 18728 16108 1 16 . 1 1 163 163 VAL CA C 163 64.137 64.137 64.859 -0.722 18728 16109 1 16 . 1 1 163 163 VAL CB C 163 30.720 30.720 31.356 -0.636 18728 16110 1 16 . 1 1 163 163 VAL H H 163 7.814 7.814 7.696 0.118 18728 16111 1 16 . 1 1 164 164 ILE N N 164 118.885 118.885 118.376 0.509 18728 16112 1 16 . 1 1 164 164 ILE HA H 164 3.968 3.968 3.880 0.088 18728 16113 1 16 . 1 1 164 164 ILE C C 164 176.006 176.006 176.309 -0.303 18728 16114 1 16 . 1 1 164 164 ILE CA C 164 63.328 63.328 63.253 0.075 18728 16115 1 16 . 1 1 164 164 ILE CB C 164 38.136 38.136 38.127 0.009 18728 16116 1 16 . 1 1 164 164 ILE H H 164 6.979 6.979 7.241 -0.262 18728 16117 1 16 . 1 1 165 165 GLN N N 165 120.509 120.509 117.787 2.722 18728 16118 1 16 . 1 1 165 165 GLN HA H 165 4.472 4.472 4.486 -0.013 18728 16119 1 16 . 1 1 165 165 GLN C C 165 174.808 174.808 175.114 -0.306 18728 16120 1 16 . 1 1 165 165 GLN CA C 165 54.743 54.743 54.512 0.231 18728 16121 1 16 . 1 1 165 165 GLN CB C 165 30.183 30.183 29.063 1.120 18728 16122 1 16 . 1 1 165 165 GLN H H 165 7.490 7.490 7.827 -0.337 18728 16123 1 16 . 1 1 166 166 LYS N N 166 122.953 122.953 124.118 -1.165 18728 16124 1 16 . 1 1 166 166 LYS HA H 166 3.992 3.992 4.113 -0.121 18728 16125 1 16 . 1 1 166 166 LYS C C 166 175.496 175.496 175.708 -0.212 18728 16126 1 16 . 1 1 166 166 LYS CA C 166 59.718 59.718 59.057 0.661 18728 16127 1 16 . 1 1 166 166 LYS CB C 166 33.115 33.115 33.106 0.009 18728 16128 1 16 . 1 1 166 166 LYS H H 166 8.085 8.085 8.777 -0.692 18728 16129 1 16 . 1 1 167 167 TYR N N 167 114.210 114.210 115.458 -1.248 18728 16130 1 16 . 1 1 167 167 TYR HA H 167 5.457 5.457 5.416 0.041 18728 16131 1 16 . 1 1 167 167 TYR C C 167 175.593 175.593 175.960 -0.367 18728 16132 1 16 . 1 1 167 167 TYR CA C 167 56.417 56.417 56.815 -0.398 18728 16133 1 16 . 1 1 167 167 TYR CB C 167 40.057 40.057 41.282 -1.225 18728 16134 1 16 . 1 1 167 167 TYR H H 167 7.740 7.740 7.829 -0.089 18728 16135 1 16 . 1 1 168 168 HIS N N 168 122.617 122.617 121.679 0.938 18728 16136 1 16 . 1 1 168 168 HIS HA H 168 4.526 4.526 5.053 -0.527 18728 16137 1 16 . 1 1 168 168 HIS C C 168 174.213 174.213 174.123 0.090 18728 16138 1 16 . 1 1 168 168 HIS CA C 168 55.233 55.233 55.207 0.026 18728 16139 1 16 . 1 1 168 168 HIS CB C 168 34.906 34.906 34.957 -0.051 18728 16140 1 16 . 1 1 168 168 HIS H H 168 9.035 9.035 9.400 -0.365 18728 16141 1 16 . 1 1 169 169 THR N N 169 121.981 121.981 119.507 2.474 18728 16142 1 16 . 1 1 169 169 THR HA H 169 4.722 4.722 4.875 -0.153 18728 16143 1 16 . 1 1 169 169 THR C C 169 172.973 172.973 173.552 -0.579 18728 16144 1 16 . 1 1 169 169 THR CA C 169 61.620 61.620 61.968 -0.348 18728 16145 1 16 . 1 1 169 169 THR CB C 169 68.692 68.692 68.791 -0.099 18728 16146 1 16 . 1 1 169 169 THR H H 169 8.784 8.784 8.648 0.136 18728 16147 1 16 . 1 1 170 170 VAL N N 170 125.540 125.540 125.975 -0.435 18728 16148 1 16 . 1 1 170 170 VAL HA H 170 3.751 3.751 3.933 -0.182 18728 16149 1 16 . 1 1 170 170 VAL C C 170 175.997 175.997 176.132 -0.135 18728 16150 1 16 . 1 1 170 170 VAL CA C 170 60.770 60.770 59.582 1.188 18728 16151 1 16 . 1 1 170 170 VAL CB C 170 34.216 34.216 33.837 0.380 18728 16152 1 16 . 1 1 170 170 VAL H H 170 8.268 8.268 8.826 -0.558 18728 16153 1 16 . 1 1 171 171 ASN N N 171 126.811 126.811 125.113 1.698 18728 16154 1 16 . 1 1 171 171 ASN HA H 171 4.065 4.065 4.263 -0.198 18728 16155 1 16 . 1 1 171 171 ASN C C 171 174.266 174.266 175.247 -0.981 18728 16156 1 16 . 1 1 171 171 ASN CA C 171 53.184 53.184 53.619 -0.435 18728 16157 1 16 . 1 1 171 171 ASN CB C 171 37.436 37.436 37.990 -0.554 18728 16158 1 16 . 1 1 171 171 ASN H H 171 9.437 9.437 9.000 0.437 18728 16159 1 16 . 1 1 172 172 GLY N N 172 100.629 100.629 100.755 -0.126 18728 16160 1 16 . 1 1 172 172 GLY C C 172 173.335 173.335 173.610 -0.275 18728 16161 1 16 . 1 1 172 172 GLY CA C 172 45.154 45.154 45.143 0.011 18728 16162 1 16 . 1 1 172 172 GLY H H 172 8.194 8.194 8.227 -0.033 18728 16163 1 16 . 1 1 173 173 HIS N N 173 119.555 119.555 120.403 -0.848 18728 16164 1 16 . 1 1 173 173 HIS HA H 173 4.860 4.860 4.686 0.174 18728 16165 1 16 . 1 1 173 173 HIS CA C 173 53.723 53.723 54.276 -0.553 18728 16166 1 16 . 1 1 173 173 HIS CB C 173 31.589 31.589 31.354 0.235 18728 16167 1 16 . 1 1 173 173 HIS H H 173 7.657 7.657 7.939 -0.282 18728 16168 1 16 . 1 1 174 174 ASN N N 174 122.936 122.936 123.435 -0.499 18728 16169 1 16 . 1 1 174 174 ASN HA H 174 4.794 4.794 5.143 -0.349 18728 16170 1 16 . 1 1 174 174 ASN C C 174 174.918 174.918 174.952 -0.034 18728 16171 1 16 . 1 1 174 174 ASN CA C 174 53.748 53.748 53.165 0.583 18728 16172 1 16 . 1 1 174 174 ASN CB C 174 38.185 38.185 38.257 -0.072 18728 16173 1 16 . 1 1 174 174 ASN H H 174 8.828 8.828 8.758 0.070 18728 16174 1 16 . 1 1 175 175 CYS N N 175 126.425 126.425 122.345 4.080 18728 16175 1 16 . 1 1 175 175 CYS HA H 175 4.872 4.872 4.758 0.114 18728 16176 1 16 . 1 1 175 175 CYS C C 175 173.853 173.853 173.375 0.478 18728 16177 1 16 . 1 1 175 175 CYS CA C 175 59.380 59.380 57.661 1.719 18728 16178 1 16 . 1 1 175 175 CYS CB C 175 29.966 29.966 32.070 -2.104 18728 16179 1 16 . 1 1 175 175 CYS H H 175 9.078 9.078 9.008 0.070 18728 16180 1 16 . 1 1 176 176 GLU N N 176 124.488 124.488 121.864 2.624 18728 16181 1 16 . 1 1 176 176 GLU HA H 176 4.661 4.661 4.602 0.059 18728 16182 1 16 . 1 1 176 176 GLU C C 176 175.343 175.343 175.230 0.113 18728 16183 1 16 . 1 1 176 176 GLU CA C 176 55.296 55.296 55.548 -0.252 18728 16184 1 16 . 1 1 176 176 GLU CB C 176 31.550 31.550 30.815 0.735 18728 16185 1 16 . 1 1 176 176 GLU H H 176 8.161 8.161 8.907 -0.746 18728 16186 1 16 . 1 1 177 177 VAL N N 177 122.521 122.521 126.055 -3.534 18728 16187 1 16 . 1 1 177 177 VAL HA H 177 5.628 5.628 5.452 0.176 18728 16188 1 16 . 1 1 177 177 VAL C C 177 175.720 175.720 174.309 1.411 18728 16189 1 16 . 1 1 177 177 VAL CA C 177 59.713 59.713 60.426 -0.713 18728 16190 1 16 . 1 1 177 177 VAL CB C 177 34.523 34.523 34.626 -0.103 18728 16191 1 16 . 1 1 177 177 VAL H H 177 8.684 8.684 8.886 -0.202 18728 16192 1 16 . 1 1 178 178 ARG N N 178 119.915 119.915 121.965 -2.050 18728 16193 1 16 . 1 1 178 178 ARG HA H 178 4.746 4.746 4.811 -0.065 18728 16194 1 16 . 1 1 178 178 ARG C C 178 175.689 175.689 174.670 1.019 18728 16195 1 16 . 1 1 178 178 ARG CA C 178 54.212 54.212 54.365 -0.153 18728 16196 1 16 . 1 1 178 178 ARG CB C 178 34.184 34.184 33.572 0.612 18728 16197 1 16 . 1 1 178 178 ARG H H 178 8.701 8.701 8.943 -0.242 18728 16198 1 16 . 1 1 179 179 LYS N N 179 121.001 121.001 120.759 0.242 18728 16199 1 16 . 1 1 179 179 LYS HA H 179 4.098 4.098 4.208 -0.110 18728 16200 1 16 . 1 1 179 179 LYS C C 179 176.026 176.026 176.139 -0.113 18728 16201 1 16 . 1 1 179 179 LYS CA C 179 59.027 59.027 56.782 2.245 18728 16202 1 16 . 1 1 179 179 LYS CB C 179 33.377 33.377 31.895 1.482 18728 16203 1 16 . 1 1 179 179 LYS H H 179 8.990 8.990 8.311 0.679 18728 16204 1 16 . 1 1 180 180 ALA N N 180 126.810 126.810 127.748 -0.938 18728 16205 1 16 . 1 1 180 180 ALA HA H 180 4.565 4.565 4.790 -0.225 18728 16206 1 16 . 1 1 180 180 ALA C C 180 175.318 175.318 175.926 -0.608 18728 16207 1 16 . 1 1 180 180 ALA CA C 180 51.432 51.432 50.692 0.740 18728 16208 1 16 . 1 1 180 180 ALA CB C 180 19.201 19.201 20.918 -1.717 18728 16209 1 16 . 1 1 180 180 ALA H H 180 8.378 8.378 8.573 -0.195 18728 16210 1 16 . 1 1 181 181 LEU N N 181 122.300 122.300 125.571 -3.271 18728 16211 1 16 . 1 1 181 181 LEU HA H 181 4.401 4.401 4.390 0.011 18728 16212 1 16 . 1 1 181 181 LEU CA C 181 54.737 54.737 54.334 0.404 18728 16213 1 16 . 1 1 181 181 LEU CB C 181 43.199 43.199 41.340 1.859 18728 16214 1 16 . 1 1 181 181 LEU H H 181 8.001 8.001 8.634 -0.633 18728 16215 1 16 . 1 1 182 182 SER HA H 182 4.406 4.406 4.424 -0.018 18728 16216 1 16 . 1 1 182 182 SER CA C 182 58.100 58.100 57.592 0.508 18728 16217 1 16 . 1 1 182 182 SER CB C 182 64.440 64.440 64.972 -0.532 18728 16218 1 16 . 1 1 183 183 LYS HA H 183 4.101 4.101 4.026 0.075 18728 16219 1 16 . 1 1 183 183 LYS C C 183 177.343 177.343 178.825 -1.482 18728 16220 1 16 . 1 1 183 183 LYS CA C 183 57.744 57.744 59.578 -1.834 18728 16221 1 16 . 1 1 183 183 LYS CB C 183 32.586 32.586 32.013 0.573 18728 16222 1 16 . 1 1 184 184 GLN N N 184 120.056 120.056 117.991 2.065 18728 16223 1 16 . 1 1 184 184 GLN HA H 184 4.167 4.167 4.211 -0.044 18728 16224 1 16 . 1 1 184 184 GLN C C 184 176.718 176.718 178.112 -1.394 18728 16225 1 16 . 1 1 184 184 GLN CA C 184 56.981 56.981 59.328 -2.347 18728 16226 1 16 . 1 1 184 184 GLN CB C 184 28.990 28.990 28.370 0.619 18728 16227 1 16 . 1 1 184 184 GLN H H 184 8.320 8.320 8.449 -0.129 18728 16228 1 16 . 1 1 185 185 GLU N N 185 121.610 121.610 116.985 4.625 18728 16229 1 16 . 1 1 185 185 GLU HA H 185 4.132 4.132 4.116 0.016 18728 16230 1 16 . 1 1 185 185 GLU C C 185 177.117 177.117 177.512 -0.395 18728 16231 1 16 . 1 1 185 185 GLU CA C 185 57.234 57.234 58.523 -1.289 18728 16232 1 16 . 1 1 185 185 GLU CB C 185 30.235 30.235 29.139 1.096 18728 16233 1 16 . 1 1 185 185 GLU H H 185 8.143 8.143 8.489 -0.346 18728 16234 1 16 . 1 1 186 186 MET N N 186 120.092 120.092 116.896 3.196 18728 16235 1 16 . 1 1 186 186 MET HA H 186 4.289 4.289 4.410 -0.121 18728 16236 1 16 . 1 1 186 186 MET C C 186 176.438 176.438 177.580 -1.142 18728 16237 1 16 . 1 1 186 186 MET CA C 186 56.069 56.069 57.517 -1.448 18728 16238 1 16 . 1 1 186 186 MET CB C 186 32.847 32.847 33.429 -0.582 18728 16239 1 16 . 1 1 186 186 MET H H 186 8.195 8.195 7.674 0.521 18728 16240 1 16 . 1 1 187 187 ALA N N 187 124.104 124.104 120.145 3.959 18728 16241 1 16 . 1 1 187 187 ALA HA H 187 4.297 4.297 4.493 -0.196 18728 16242 1 16 . 1 1 187 187 ALA C C 187 178.107 178.107 177.301 0.806 18728 16243 1 16 . 1 1 187 187 ALA CA C 187 52.912 52.912 53.042 -0.130 18728 16244 1 16 . 1 1 187 187 ALA CB C 187 19.060 19.060 20.181 -1.121 18728 16245 1 16 . 1 1 187 187 ALA H H 187 8.060 8.060 8.071 -0.011 18728 16246 1 16 . 1 1 188 188 SER N N 188 114.374 114.374 111.601 2.773 18728 16247 1 16 . 1 1 188 188 SER HA H 188 4.357 4.357 4.547 -0.190 18728 16248 1 16 . 1 1 188 188 SER C C 188 174.757 174.757 173.239 1.518 18728 16249 1 16 . 1 1 188 188 SER CA C 188 58.598 58.598 57.856 0.742 18728 16250 1 16 . 1 1 188 188 SER CB C 188 63.734 63.734 64.484 -0.749 18728 16251 1 16 . 1 1 188 188 SER H H 188 8.173 8.173 7.861 0.312 18728 16252 1 16 . 1 1 189 189 ALA N N 189 125.637 125.637 122.708 2.929 18728 16253 1 16 . 1 1 189 189 ALA HA H 189 4.246 4.246 4.166 0.080 18728 16254 1 16 . 1 1 189 189 ALA CA C 189 53.015 53.015 52.845 0.170 18728 16255 1 16 . 1 1 189 189 ALA CB C 189 19.069 19.069 19.239 -0.170 18728 16256 1 16 . 1 1 189 189 ALA H H 189 8.207 8.207 8.294 -0.087 18728 16257 1 17 . 1 1 5 5 GLU N N 5 122.509 122.509 124.602 -2.093 18728 16258 1 17 . 1 1 5 5 GLU HA H 5 4.345 4.345 4.375 -0.030 18728 16259 1 17 . 1 1 5 5 GLU C C 5 176.240 176.240 175.363 0.877 18728 16260 1 17 . 1 1 5 5 GLU CA C 5 56.190 56.190 56.256 -0.066 18728 16261 1 17 . 1 1 5 5 GLU CB C 5 30.611 30.611 31.187 -0.576 18728 16262 1 17 . 1 1 5 5 GLU H H 5 8.321 8.321 7.794 0.527 18728 16263 1 17 . 1 1 6 6 SER N N 6 118.728 118.728 119.356 -0.628 18728 16264 1 17 . 1 1 6 6 SER HA H 6 4.342 4.342 4.886 -0.544 18728 16265 1 17 . 1 1 6 6 SER CA C 6 56.305 56.305 54.665 1.640 18728 16266 1 17 . 1 1 6 6 SER CB C 6 63.241 63.241 63.999 -0.758 18728 16267 1 17 . 1 1 6 6 SER H H 6 8.349 8.349 8.574 -0.225 18728 16268 1 17 . 1 1 7 7 PRO HA H 7 4.427 4.427 4.856 -0.429 18728 16269 1 17 . 1 1 7 7 PRO C C 7 177.027 177.027 176.506 0.521 18728 16270 1 17 . 1 1 7 7 PRO CA C 7 63.271 63.271 62.449 0.822 18728 16271 1 17 . 1 1 7 7 PRO CB C 7 32.111 32.111 32.776 -0.665 18728 16272 1 17 . 1 1 8 8 LYS N N 8 121.819 121.819 116.732 5.087 18728 16273 1 17 . 1 1 8 8 LYS HA H 8 4.290 4.290 4.239 0.051 18728 16274 1 17 . 1 1 8 8 LYS C C 8 177.015 177.015 176.577 0.438 18728 16275 1 17 . 1 1 8 8 LYS CA C 8 56.455 56.455 56.752 -0.297 18728 16276 1 17 . 1 1 8 8 LYS CB C 8 33.341 33.341 31.915 1.426 18728 16277 1 17 . 1 1 8 8 LYS H H 8 8.445 8.445 8.489 -0.044 18728 16278 1 17 . 1 1 9 9 GLU N N 9 121.243 121.243 120.750 0.493 18728 16279 1 17 . 1 1 9 9 GLU HA H 9 4.606 4.606 4.411 0.195 18728 16280 1 17 . 1 1 9 9 GLU CA C 9 54.480 54.480 54.693 -0.213 18728 16281 1 17 . 1 1 9 9 GLU CB C 9 29.572 29.572 29.273 0.299 18728 16282 1 17 . 1 1 9 9 GLU H H 9 8.313 8.313 7.973 0.340 18728 16283 1 17 . 1 1 10 10 PRO HA H 10 4.335 4.335 4.390 -0.055 18728 16284 1 17 . 1 1 10 10 PRO C C 10 177.491 177.491 178.061 -0.570 18728 16285 1 17 . 1 1 10 10 PRO CA C 10 63.587 63.587 62.649 0.938 18728 16286 1 17 . 1 1 10 10 PRO CB C 10 32.374 32.374 32.738 -0.364 18728 16287 1 17 . 1 1 11 11 GLU N N 11 123.071 123.071 121.499 1.572 18728 16288 1 17 . 1 1 11 11 GLU HA H 11 3.686 3.686 3.848 -0.162 18728 16289 1 17 . 1 1 11 11 GLU C C 11 177.984 177.984 178.125 -0.141 18728 16290 1 17 . 1 1 11 11 GLU CA C 11 59.651 59.651 59.925 -0.274 18728 16291 1 17 . 1 1 11 11 GLU CB C 11 29.819 29.819 28.754 1.065 18728 16292 1 17 . 1 1 11 11 GLU H H 11 8.692 8.692 8.815 -0.123 18728 16293 1 17 . 1 1 12 12 GLN N N 12 116.079 116.079 116.485 -0.406 18728 16294 1 17 . 1 1 12 12 GLN HA H 12 3.979 3.979 4.223 -0.244 18728 16295 1 17 . 1 1 12 12 GLN C C 12 177.579 177.579 177.511 0.068 18728 16296 1 17 . 1 1 12 12 GLN CA C 12 58.526 58.526 58.134 0.392 18728 16297 1 17 . 1 1 12 12 GLN CB C 12 28.112 28.112 28.298 -0.186 18728 16298 1 17 . 1 1 12 12 GLN H H 12 8.647 8.647 8.523 0.124 18728 16299 1 17 . 1 1 13 13 LEU N N 13 116.530 116.530 118.521 -1.991 18728 16300 1 17 . 1 1 13 13 LEU HA H 13 4.264 4.264 4.365 -0.101 18728 16301 1 17 . 1 1 13 13 LEU C C 13 177.080 177.080 177.306 -0.226 18728 16302 1 17 . 1 1 13 13 LEU CA C 13 55.945 55.945 56.244 -0.299 18728 16303 1 17 . 1 1 13 13 LEU CB C 13 42.317 42.317 42.523 -0.206 18728 16304 1 17 . 1 1 13 13 LEU H H 13 7.471 7.471 7.897 -0.426 18728 16305 1 17 . 1 1 14 14 ARG N N 14 116.981 116.981 114.417 2.564 18728 16306 1 17 . 1 1 14 14 ARG HA H 14 4.417 4.417 4.497 -0.080 18728 16307 1 17 . 1 1 14 14 ARG C C 14 172.996 172.996 175.846 -2.850 18728 16308 1 17 . 1 1 14 14 ARG CA C 14 56.067 56.067 55.950 0.117 18728 16309 1 17 . 1 1 14 14 ARG CB C 14 29.944 29.944 31.429 -1.485 18728 16310 1 17 . 1 1 14 14 ARG H H 14 7.576 7.576 7.595 -0.019 18728 16311 1 17 . 1 1 15 15 LYS N N 15 119.990 119.990 122.320 -2.330 18728 16312 1 17 . 1 1 15 15 LYS HA H 15 5.198 5.198 5.231 -0.033 18728 16313 1 17 . 1 1 15 15 LYS CA C 15 55.301 55.301 55.350 -0.049 18728 16314 1 17 . 1 1 15 15 LYS CB C 15 35.888 35.888 35.406 0.482 18728 16315 1 17 . 1 1 15 15 LYS H H 15 6.946 6.946 8.253 -1.307 18728 16316 1 17 . 1 1 16 16 LEU N N 16 126.081 126.081 123.803 2.278 18728 16317 1 17 . 1 1 16 16 LEU HA H 16 5.016 5.016 5.110 -0.094 18728 16318 1 17 . 1 1 16 16 LEU C C 16 176.309 176.309 175.721 0.588 18728 16319 1 17 . 1 1 16 16 LEU CA C 16 53.334 53.334 53.062 0.272 18728 16320 1 17 . 1 1 16 16 LEU CB C 16 45.062 45.062 45.605 -0.543 18728 16321 1 17 . 1 1 16 16 LEU H H 16 9.605 9.605 8.951 0.654 18728 16322 1 17 . 1 1 17 17 PHE N N 17 123.569 123.569 124.418 -0.849 18728 16323 1 17 . 1 1 17 17 PHE HA H 17 4.585 4.585 5.279 -0.694 18728 16324 1 17 . 1 1 17 17 PHE C C 17 174.362 174.362 173.972 0.390 18728 16325 1 17 . 1 1 17 17 PHE CA C 17 57.153 57.153 56.050 1.103 18728 16326 1 17 . 1 1 17 17 PHE CB C 17 40.603 40.603 41.437 -0.834 18728 16327 1 17 . 1 1 17 17 PHE H H 17 9.023 9.023 9.313 -0.290 18728 16328 1 17 . 1 1 18 18 ILE N N 18 126.932 126.932 127.656 -0.724 18728 16329 1 17 . 1 1 18 18 ILE HA H 18 4.029 4.029 4.263 -0.234 18728 16330 1 17 . 1 1 18 18 ILE C C 18 173.832 173.832 174.804 -0.972 18728 16331 1 17 . 1 1 18 18 ILE CA C 18 59.156 59.156 58.007 1.149 18728 16332 1 17 . 1 1 18 18 ILE CB C 18 36.909 36.909 37.066 -0.156 18728 16333 1 17 . 1 1 18 18 ILE H H 18 8.486 8.486 8.587 -0.101 18728 16334 1 17 . 1 1 19 19 GLY N N 19 112.953 112.953 112.521 0.432 18728 16335 1 17 . 1 1 19 19 GLY C C 19 174.426 174.426 173.834 0.592 18728 16336 1 17 . 1 1 19 19 GLY CA C 19 43.611 43.611 43.177 0.434 18728 16337 1 17 . 1 1 19 19 GLY H H 19 7.948 7.948 8.590 -0.642 18728 16338 1 17 . 1 1 20 20 GLY N N 20 107.584 107.584 111.080 -3.496 18728 16339 1 17 . 1 1 20 20 GLY C C 20 175.563 175.563 174.371 1.192 18728 16340 1 17 . 1 1 20 20 GLY CA C 20 46.530 46.530 45.111 1.419 18728 16341 1 17 . 1 1 20 20 GLY H H 20 8.542 8.542 8.139 0.403 18728 16342 1 17 . 1 1 21 21 LEU N N 21 115.232 115.232 119.421 -4.189 18728 16343 1 17 . 1 1 21 21 LEU HA H 21 4.025 4.025 4.264 -0.239 18728 16344 1 17 . 1 1 21 21 LEU C C 21 179.121 179.121 176.506 2.615 18728 16345 1 17 . 1 1 21 21 LEU CA C 21 54.192 54.192 54.361 -0.169 18728 16346 1 17 . 1 1 21 21 LEU CB C 21 42.892 42.892 42.823 0.069 18728 16347 1 17 . 1 1 21 21 LEU H H 21 7.472 7.472 8.118 -0.646 18728 16348 1 17 . 1 1 22 22 SER N N 22 114.737 114.737 114.253 0.484 18728 16349 1 17 . 1 1 22 22 SER HA H 22 4.125 4.125 4.602 -0.477 18728 16350 1 17 . 1 1 22 22 SER C C 22 177.842 177.842 176.221 1.621 18728 16351 1 17 . 1 1 22 22 SER CA C 22 57.635 57.635 57.044 0.591 18728 16352 1 17 . 1 1 22 22 SER CB C 22 63.106 63.106 64.652 -1.546 18728 16353 1 17 . 1 1 22 22 SER H H 22 9.136 9.136 8.051 1.085 18728 16354 1 17 . 1 1 23 23 PHE N N 23 128.194 128.194 122.033 6.161 18728 16355 1 17 . 1 1 23 23 PHE HA H 23 4.307 4.307 4.647 -0.340 18728 16356 1 17 . 1 1 23 23 PHE C C 23 175.626 175.626 175.660 -0.034 18728 16357 1 17 . 1 1 23 23 PHE CA C 23 60.205 60.205 59.046 1.159 18728 16358 1 17 . 1 1 23 23 PHE CB C 23 37.570 37.570 39.730 -2.160 18728 16359 1 17 . 1 1 23 23 PHE H H 23 9.034 9.034 9.119 -0.085 18728 16360 1 17 . 1 1 24 24 GLU N N 24 116.093 116.093 115.177 0.916 18728 16361 1 17 . 1 1 24 24 GLU HA H 24 4.255 4.255 4.477 -0.222 18728 16362 1 17 . 1 1 24 24 GLU C C 24 177.429 177.429 175.332 2.097 18728 16363 1 17 . 1 1 24 24 GLU CA C 24 56.522 56.522 55.364 1.158 18728 16364 1 17 . 1 1 24 24 GLU CB C 24 29.980 29.980 30.379 -0.399 18728 16365 1 17 . 1 1 24 24 GLU H H 24 8.295 8.295 8.335 -0.040 18728 16366 1 17 . 1 1 25 25 THR N N 25 118.836 118.836 118.314 0.522 18728 16367 1 17 . 1 1 25 25 THR HA H 25 4.091 4.091 4.399 -0.308 18728 16368 1 17 . 1 1 25 25 THR C C 25 174.238 174.238 174.525 -0.287 18728 16369 1 17 . 1 1 25 25 THR CA C 25 64.862 64.862 64.686 0.176 18728 16370 1 17 . 1 1 25 25 THR CB C 25 68.584 68.584 69.372 -0.788 18728 16371 1 17 . 1 1 25 25 THR H H 25 7.280 7.280 7.330 -0.050 18728 16372 1 17 . 1 1 26 26 THR N N 26 119.434 119.434 118.362 1.072 18728 16373 1 17 . 1 1 26 26 THR HA H 26 4.484 4.484 4.583 -0.099 18728 16374 1 17 . 1 1 26 26 THR C C 26 174.563 174.563 175.248 -0.685 18728 16375 1 17 . 1 1 26 26 THR CA C 26 59.361 59.361 59.439 -0.078 18728 16376 1 17 . 1 1 26 26 THR CB C 26 72.727 72.727 71.479 1.248 18728 16377 1 17 . 1 1 26 26 THR H H 26 8.447 8.447 7.954 0.493 18728 16378 1 17 . 1 1 27 27 ASP N N 27 120.342 120.342 120.507 -0.165 18728 16379 1 17 . 1 1 27 27 ASP HA H 27 3.920 3.920 4.372 -0.452 18728 16380 1 17 . 1 1 27 27 ASP C C 27 178.347 178.347 177.530 0.817 18728 16381 1 17 . 1 1 27 27 ASP CA C 27 58.148 58.148 56.893 1.255 18728 16382 1 17 . 1 1 27 27 ASP CB C 27 39.954 39.954 40.608 -0.654 18728 16383 1 17 . 1 1 27 27 ASP H H 27 8.794 8.794 8.799 -0.005 18728 16384 1 17 . 1 1 28 28 GLU N N 28 116.494 116.494 119.818 -3.324 18728 16385 1 17 . 1 1 28 28 GLU HA H 28 3.993 3.993 4.128 -0.135 18728 16386 1 17 . 1 1 28 28 GLU C C 28 178.987 178.987 178.696 0.291 18728 16387 1 17 . 1 1 28 28 GLU CA C 28 60.281 60.281 59.243 1.038 18728 16388 1 17 . 1 1 28 28 GLU CB C 28 29.193 29.193 29.261 -0.068 18728 16389 1 17 . 1 1 28 28 GLU H H 28 8.444 8.444 8.828 -0.384 18728 16390 1 17 . 1 1 29 29 SER N N 29 120.532 120.532 116.137 4.395 18728 16391 1 17 . 1 1 29 29 SER HA H 29 4.333 4.333 4.284 0.049 18728 16392 1 17 . 1 1 29 29 SER C C 29 178.125 178.125 176.680 1.445 18728 16393 1 17 . 1 1 29 29 SER CA C 29 61.720 61.720 60.965 0.755 18728 16394 1 17 . 1 1 29 29 SER H H 29 8.384 8.384 7.622 0.762 18728 16395 1 17 . 1 1 30 30 LEU N N 30 126.754 126.754 124.558 2.196 18728 16396 1 17 . 1 1 30 30 LEU HA H 30 4.080 4.080 4.196 -0.116 18728 16397 1 17 . 1 1 30 30 LEU C C 30 178.341 178.341 178.005 0.336 18728 16398 1 17 . 1 1 30 30 LEU CA C 30 58.073 58.073 57.782 0.291 18728 16399 1 17 . 1 1 30 30 LEU CB C 30 42.524 42.524 41.755 0.769 18728 16400 1 17 . 1 1 30 30 LEU H H 30 8.487 8.487 7.697 0.790 18728 16401 1 17 . 1 1 31 31 ARG N N 31 121.192 121.192 119.156 2.036 18728 16402 1 17 . 1 1 31 31 ARG HA H 31 3.863 3.863 3.858 0.005 18728 16403 1 17 . 1 1 31 31 ARG C C 31 177.765 177.765 178.350 -0.585 18728 16404 1 17 . 1 1 31 31 ARG CA C 31 59.706 59.706 60.308 -0.602 18728 16405 1 17 . 1 1 31 31 ARG CB C 31 30.648 30.648 30.035 0.613 18728 16406 1 17 . 1 1 31 31 ARG H H 31 7.980 7.980 8.418 -0.438 18728 16407 1 17 . 1 1 32 32 SER N N 32 112.868 112.868 112.840 0.028 18728 16408 1 17 . 1 1 32 32 SER HA H 32 4.104 4.104 4.188 -0.084 18728 16409 1 17 . 1 1 32 32 SER C C 32 176.416 176.416 175.880 0.536 18728 16410 1 17 . 1 1 32 32 SER CA C 32 61.437 61.437 61.448 -0.011 18728 16411 1 17 . 1 1 32 32 SER CB C 32 62.933 62.933 63.073 -0.140 18728 16412 1 17 . 1 1 32 32 SER H H 32 8.295 8.295 8.167 0.128 18728 16413 1 17 . 1 1 33 33 HIS N N 33 115.910 115.910 119.632 -3.722 18728 16414 1 17 . 1 1 33 33 HIS HA H 33 4.346 4.346 4.434 -0.088 18728 16415 1 17 . 1 1 33 33 HIS C C 33 177.510 177.510 178.113 -0.603 18728 16416 1 17 . 1 1 33 33 HIS CA C 33 60.373 60.373 59.821 0.552 18728 16417 1 17 . 1 1 33 33 HIS CB C 33 30.776 30.776 30.428 0.347 18728 16418 1 17 . 1 1 33 33 HIS H H 33 7.406 7.406 7.744 -0.338 18728 16419 1 17 . 1 1 34 34 PHE N N 34 113.562 113.562 119.541 -5.979 18728 16420 1 17 . 1 1 34 34 PHE HA H 34 4.526 4.526 4.776 -0.250 18728 16421 1 17 . 1 1 34 34 PHE C C 34 179.061 179.061 178.291 0.770 18728 16422 1 17 . 1 1 34 34 PHE CA C 34 64.104 64.104 61.742 2.362 18728 16423 1 17 . 1 1 34 34 PHE CB C 34 38.379 38.379 39.040 -0.661 18728 16424 1 17 . 1 1 34 34 PHE H H 34 8.227 8.227 8.539 -0.312 18728 16425 1 17 . 1 1 35 35 GLU N N 35 124.490 124.490 120.550 3.940 18728 16426 1 17 . 1 1 35 35 GLU HA H 35 4.962 4.962 4.323 0.639 18728 16427 1 17 . 1 1 35 35 GLU C C 35 176.476 176.476 177.684 -1.208 18728 16428 1 17 . 1 1 35 35 GLU CA C 35 57.950 57.950 58.852 -0.902 18728 16429 1 17 . 1 1 35 35 GLU CB C 35 28.690 28.690 29.321 -0.631 18728 16430 1 17 . 1 1 35 35 GLU H H 35 9.219 9.219 8.646 0.573 18728 16431 1 17 . 1 1 36 36 GLN N N 36 116.596 116.596 117.064 -0.468 18728 16432 1 17 . 1 1 36 36 GLN HA H 36 3.706 3.706 3.977 -0.271 18728 16433 1 17 . 1 1 36 36 GLN C C 36 176.486 176.486 177.566 -1.080 18728 16434 1 17 . 1 1 36 36 GLN CA C 36 58.206 58.206 57.754 0.452 18728 16435 1 17 . 1 1 36 36 GLN CB C 36 27.731 27.731 28.243 -0.512 18728 16436 1 17 . 1 1 36 36 GLN H H 36 7.011 7.011 7.505 -0.494 18728 16437 1 17 . 1 1 37 37 TRP N N 37 114.690 114.690 117.434 -2.744 18728 16438 1 17 . 1 1 37 37 TRP HA H 37 4.481 4.481 4.854 -0.373 18728 16439 1 17 . 1 1 37 37 TRP C C 37 173.662 173.662 176.599 -2.937 18728 16440 1 17 . 1 1 37 37 TRP CA C 37 61.557 61.557 58.550 3.007 18728 16441 1 17 . 1 1 37 37 TRP CB C 37 29.074 29.074 31.338 -2.264 18728 16442 1 17 . 1 1 37 37 TRP H H 37 7.017 7.017 7.868 -0.851 18728 16443 1 17 . 1 1 38 38 GLY N N 38 105.060 105.060 104.706 0.354 18728 16444 1 17 . 1 1 38 38 GLY C C 38 171.596 171.596 172.502 -0.906 18728 16445 1 17 . 1 1 38 38 GLY CA C 38 45.545 45.545 45.285 0.260 18728 16446 1 17 . 1 1 38 38 GLY H H 38 7.294 7.294 7.740 -0.446 18728 16447 1 17 . 1 1 39 39 THR N N 39 117.179 117.179 119.283 -2.104 18728 16448 1 17 . 1 1 39 39 THR HA H 39 4.231 4.231 4.220 0.011 18728 16449 1 17 . 1 1 39 39 THR C C 39 173.760 173.760 174.132 -0.372 18728 16450 1 17 . 1 1 39 39 THR CA C 39 62.904 62.904 64.271 -1.367 18728 16451 1 17 . 1 1 39 39 THR CB C 39 69.813 69.813 69.064 0.749 18728 16452 1 17 . 1 1 39 39 THR H H 39 8.770 8.770 8.495 0.275 18728 16453 1 17 . 1 1 40 40 LEU N N 40 126.702 126.702 127.334 -0.632 18728 16454 1 17 . 1 1 40 40 LEU HA H 40 4.943 4.943 4.389 0.554 18728 16455 1 17 . 1 1 40 40 LEU C C 40 178.358 178.358 178.016 0.342 18728 16456 1 17 . 1 1 40 40 LEU CA C 40 52.969 52.969 54.666 -1.697 18728 16457 1 17 . 1 1 40 40 LEU CB C 40 41.893 41.893 42.689 -0.796 18728 16458 1 17 . 1 1 40 40 LEU H H 40 8.831 8.831 8.641 0.190 18728 16459 1 17 . 1 1 41 41 THR N N 41 117.175 117.175 112.330 4.845 18728 16460 1 17 . 1 1 41 41 THR HA H 41 4.197 4.197 4.469 -0.272 18728 16461 1 17 . 1 1 41 41 THR C C 41 175.050 175.050 174.556 0.494 18728 16462 1 17 . 1 1 41 41 THR CA C 41 62.668 62.668 62.143 0.525 18728 16463 1 17 . 1 1 41 41 THR CB C 41 67.618 67.618 70.470 -2.852 18728 16464 1 17 . 1 1 41 41 THR H H 41 8.926 8.926 8.964 -0.038 18728 16465 1 17 . 1 1 42 42 ASP N N 42 118.764 118.764 120.780 -2.016 18728 16466 1 17 . 1 1 42 42 ASP HA H 42 4.620 4.620 4.903 -0.283 18728 16467 1 17 . 1 1 42 42 ASP C C 42 174.637 174.637 173.562 1.075 18728 16468 1 17 . 1 1 42 42 ASP CA C 42 54.235 54.235 54.028 0.207 18728 16469 1 17 . 1 1 42 42 ASP CB C 42 44.253 44.253 44.032 0.221 18728 16470 1 17 . 1 1 42 42 ASP H H 42 7.513 7.513 7.819 -0.306 18728 16471 1 17 . 1 1 43 43 CYS N N 43 123.632 123.632 121.927 1.705 18728 16472 1 17 . 1 1 43 43 CYS HA H 43 4.842 4.842 5.176 -0.334 18728 16473 1 17 . 1 1 43 43 CYS C C 43 171.885 171.885 172.327 -0.442 18728 16474 1 17 . 1 1 43 43 CYS CA C 43 59.376 59.376 57.887 1.489 18728 16475 1 17 . 1 1 43 43 CYS CB C 43 26.377 26.377 30.182 -3.805 18728 16476 1 17 . 1 1 43 43 CYS H H 43 8.436 8.436 8.668 -0.232 18728 16477 1 17 . 1 1 44 44 VAL N N 44 126.787 126.787 126.366 0.421 18728 16478 1 17 . 1 1 44 44 VAL HA H 44 4.576 4.576 4.561 0.015 18728 16479 1 17 . 1 1 44 44 VAL C C 44 173.371 173.371 173.342 0.029 18728 16480 1 17 . 1 1 44 44 VAL CA C 44 60.151 60.151 60.531 -0.380 18728 16481 1 17 . 1 1 44 44 VAL CB C 44 36.424 36.424 35.162 1.262 18728 16482 1 17 . 1 1 44 44 VAL H H 44 8.737 8.737 8.878 -0.141 18728 16483 1 17 . 1 1 45 45 VAL N N 45 125.522 125.522 128.535 -3.013 18728 16484 1 17 . 1 1 45 45 VAL HA H 45 3.711 3.711 3.985 -0.274 18728 16485 1 17 . 1 1 45 45 VAL C C 45 176.674 176.674 174.811 1.863 18728 16486 1 17 . 1 1 45 45 VAL CA C 45 62.509 62.509 62.144 0.365 18728 16487 1 17 . 1 1 45 45 VAL CB C 45 33.175 33.175 32.809 0.367 18728 16488 1 17 . 1 1 45 45 VAL H H 45 8.269 8.269 8.450 -0.181 18728 16489 1 17 . 1 1 46 46 MET N N 46 126.833 126.833 128.887 -2.054 18728 16490 1 17 . 1 1 46 46 MET HA H 46 4.441 4.441 4.300 0.141 18728 16491 1 17 . 1 1 46 46 MET C C 46 175.413 175.413 174.849 0.564 18728 16492 1 17 . 1 1 46 46 MET CA C 46 54.852 54.852 54.318 0.534 18728 16493 1 17 . 1 1 46 46 MET CB C 46 30.454 30.454 29.884 0.570 18728 16494 1 17 . 1 1 46 46 MET H H 46 8.445 8.445 8.077 0.368 18728 16495 1 17 . 1 1 47 47 ARG N N 47 120.697 120.697 123.605 -2.908 18728 16496 1 17 . 1 1 47 47 ARG HA H 47 4.838 4.838 4.688 0.150 18728 16497 1 17 . 1 1 47 47 ARG CA C 47 54.308 54.308 54.716 -0.408 18728 16498 1 17 . 1 1 47 47 ARG CB C 47 34.048 34.048 32.108 1.940 18728 16499 1 17 . 1 1 47 47 ARG H H 47 8.308 8.308 7.911 0.397 18728 16500 1 17 . 1 1 48 48 ASP N N 48 125.146 125.146 122.720 2.426 18728 16501 1 17 . 1 1 48 48 ASP HA H 48 4.686 4.686 4.846 -0.160 18728 16502 1 17 . 1 1 48 48 ASP C C 48 176.046 176.046 176.239 -0.193 18728 16503 1 17 . 1 1 48 48 ASP CA C 48 52.106 52.106 52.448 -0.342 18728 16504 1 17 . 1 1 48 48 ASP CB C 48 42.878 42.878 41.955 0.923 18728 16505 1 17 . 1 1 48 48 ASP H H 48 8.577 8.577 8.490 0.087 18728 16506 1 17 . 1 1 49 49 PRO HA H 49 4.310 4.310 4.277 0.033 18728 16507 1 17 . 1 1 49 49 PRO C C 49 177.166 177.166 176.668 0.498 18728 16508 1 17 . 1 1 49 49 PRO CA C 49 64.584 64.584 64.749 -0.165 18728 16509 1 17 . 1 1 49 49 PRO CB C 49 32.136 32.136 31.736 0.400 18728 16510 1 17 . 1 1 50 50 ASN N N 50 115.474 115.474 115.715 -0.241 18728 16511 1 17 . 1 1 50 50 ASN HA H 50 4.723 4.723 4.699 0.024 18728 16512 1 17 . 1 1 50 50 ASN C C 50 176.642 176.642 176.515 0.127 18728 16513 1 17 . 1 1 50 50 ASN CA C 50 55.444 55.444 55.245 0.199 18728 16514 1 17 . 1 1 50 50 ASN CB C 50 39.455 39.455 39.582 -0.127 18728 16515 1 17 . 1 1 50 50 ASN H H 50 8.560 8.560 8.417 0.143 18728 16516 1 17 . 1 1 51 51 THR N N 51 108.788 108.788 112.784 -3.996 18728 16517 1 17 . 1 1 51 51 THR HA H 51 4.264 4.264 4.500 -0.236 18728 16518 1 17 . 1 1 51 51 THR C C 51 176.018 176.018 174.185 1.833 18728 16519 1 17 . 1 1 51 51 THR CA C 51 62.063 62.063 62.420 -0.357 18728 16520 1 17 . 1 1 51 51 THR CB C 51 70.768 70.768 70.215 0.553 18728 16521 1 17 . 1 1 51 51 THR H H 51 8.277 8.277 7.775 0.502 18728 16522 1 17 . 1 1 52 52 LYS N N 52 114.615 114.615 116.707 -2.092 18728 16523 1 17 . 1 1 52 52 LYS HA H 52 3.917 3.917 3.954 -0.037 18728 16524 1 17 . 1 1 52 52 LYS C C 52 175.376 175.376 174.963 0.413 18728 16525 1 17 . 1 1 52 52 LYS CA C 52 57.902 57.902 56.974 0.928 18728 16526 1 17 . 1 1 52 52 LYS CB C 52 29.293 29.293 29.733 -0.441 18728 16527 1 17 . 1 1 52 52 LYS H H 52 8.091 8.091 8.218 -0.127 18728 16528 1 17 . 1 1 53 53 ARG N N 53 120.395 120.395 117.004 3.391 18728 16529 1 17 . 1 1 53 53 ARG HA H 53 4.169 4.169 4.360 -0.191 18728 16530 1 17 . 1 1 53 53 ARG C C 53 176.619 176.619 175.700 0.919 18728 16531 1 17 . 1 1 53 53 ARG CA C 53 56.233 56.233 52.921 3.312 18728 16532 1 17 . 1 1 53 53 ARG CB C 53 31.045 31.045 32.101 -1.056 18728 16533 1 17 . 1 1 53 53 ARG H H 53 7.847 7.847 7.546 0.301 18728 16534 1 17 . 1 1 54 54 SER N N 54 116.987 116.987 116.698 0.289 18728 16535 1 17 . 1 1 54 54 SER HA H 54 4.186 4.186 4.304 -0.118 18728 16536 1 17 . 1 1 54 54 SER C C 54 175.755 175.755 175.149 0.606 18728 16537 1 17 . 1 1 54 54 SER CA C 54 58.559 58.559 59.287 -0.728 18728 16538 1 17 . 1 1 54 54 SER CB C 54 63.922 63.922 63.213 0.709 18728 16539 1 17 . 1 1 54 54 SER H H 54 8.810 8.810 7.796 1.014 18728 16540 1 17 . 1 1 55 55 ARG N N 55 123.427 123.427 125.547 -2.120 18728 16541 1 17 . 1 1 55 55 ARG HA H 55 4.403 4.403 4.328 0.075 18728 16542 1 17 . 1 1 55 55 ARG C C 55 177.962 177.962 176.813 1.149 18728 16543 1 17 . 1 1 55 55 ARG CA C 55 56.096 56.096 56.121 -0.025 18728 16544 1 17 . 1 1 55 55 ARG CB C 55 31.294 31.294 30.030 1.264 18728 16545 1 17 . 1 1 55 55 ARG H H 55 8.976 8.976 8.664 0.312 18728 16546 1 17 . 1 1 56 56 GLY N N 56 107.308 107.308 106.342 0.966 18728 16547 1 17 . 1 1 56 56 GLY C C 56 171.856 171.856 173.774 -1.918 18728 16548 1 17 . 1 1 56 56 GLY CA C 56 45.669 45.669 45.345 0.324 18728 16549 1 17 . 1 1 56 56 GLY H H 56 9.375 9.375 8.534 0.841 18728 16550 1 17 . 1 1 57 57 PHE N N 57 112.537 112.537 115.304 -2.767 18728 16551 1 17 . 1 1 57 57 PHE HA H 57 5.201 5.201 5.470 -0.269 18728 16552 1 17 . 1 1 57 57 PHE C C 57 172.646 172.646 173.058 -0.412 18728 16553 1 17 . 1 1 57 57 PHE CA C 57 54.918 54.918 55.294 -0.376 18728 16554 1 17 . 1 1 57 57 PHE CB C 57 41.743 41.743 41.115 0.628 18728 16555 1 17 . 1 1 57 57 PHE H H 57 7.044 7.044 7.145 -0.101 18728 16556 1 17 . 1 1 58 58 GLY N N 58 106.816 106.816 106.552 0.264 18728 16557 1 17 . 1 1 58 58 GLY C C 58 169.931 169.931 171.186 -1.255 18728 16558 1 17 . 1 1 58 58 GLY CA C 58 45.304 45.304 44.450 0.854 18728 16559 1 17 . 1 1 58 58 GLY H H 58 8.345 8.345 8.148 0.197 18728 16560 1 17 . 1 1 59 59 PHE N N 59 115.179 115.179 115.462 -0.283 18728 16561 1 17 . 1 1 59 59 PHE HA H 59 5.645 5.645 5.588 0.057 18728 16562 1 17 . 1 1 59 59 PHE C C 59 174.929 174.929 174.207 0.722 18728 16563 1 17 . 1 1 59 59 PHE CA C 59 56.541 56.541 56.291 0.250 18728 16564 1 17 . 1 1 59 59 PHE CB C 59 43.984 43.984 43.798 0.186 18728 16565 1 17 . 1 1 59 59 PHE H H 59 8.903 8.903 8.387 0.516 18728 16566 1 17 . 1 1 60 60 VAL N N 60 115.310 115.310 116.450 -1.140 18728 16567 1 17 . 1 1 60 60 VAL HA H 60 4.540 4.540 4.708 -0.168 18728 16568 1 17 . 1 1 60 60 VAL C C 60 173.246 173.246 175.281 -2.035 18728 16569 1 17 . 1 1 60 60 VAL CA C 60 59.421 59.421 60.394 -0.973 18728 16570 1 17 . 1 1 60 60 VAL CB C 60 34.678 34.678 33.694 0.984 18728 16571 1 17 . 1 1 60 60 VAL H H 60 8.569 8.569 8.851 -0.282 18728 16572 1 17 . 1 1 61 61 THR N N 61 120.158 120.158 123.112 -2.954 18728 16573 1 17 . 1 1 61 61 THR HA H 61 5.068 5.068 4.841 0.227 18728 16574 1 17 . 1 1 61 61 THR C C 61 173.985 173.985 174.020 -0.035 18728 16575 1 17 . 1 1 61 61 THR CA C 61 61.033 61.033 61.785 -0.752 18728 16576 1 17 . 1 1 61 61 THR CB C 61 70.114 70.114 69.203 0.911 18728 16577 1 17 . 1 1 61 61 THR H H 61 8.180 8.180 8.847 -0.667 18728 16578 1 17 . 1 1 62 62 TYR N N 62 125.280 125.280 126.778 -1.498 18728 16579 1 17 . 1 1 62 62 TYR HA H 62 5.357 5.357 4.639 0.718 18728 16580 1 17 . 1 1 62 62 TYR C C 62 176.696 176.696 177.086 -0.390 18728 16581 1 17 . 1 1 62 62 TYR CA C 62 58.297 58.297 59.024 -0.727 18728 16582 1 17 . 1 1 62 62 TYR CB C 62 42.217 42.217 40.018 2.199 18728 16583 1 17 . 1 1 62 62 TYR H H 62 8.407 8.407 9.185 -0.778 18728 16584 1 17 . 1 1 63 63 ALA N N 63 121.648 121.648 121.979 -0.331 18728 16585 1 17 . 1 1 63 63 ALA HA H 63 4.052 4.052 4.396 -0.344 18728 16586 1 17 . 1 1 63 63 ALA C C 63 178.252 178.252 177.551 0.701 18728 16587 1 17 . 1 1 63 63 ALA CA C 63 55.269 55.269 54.095 1.174 18728 16588 1 17 . 1 1 63 63 ALA CB C 63 19.068 19.068 19.919 -0.852 18728 16589 1 17 . 1 1 63 63 ALA H H 63 8.749 8.749 8.881 -0.132 18728 16590 1 17 . 1 1 64 64 THR N N 64 105.238 105.238 111.528 -6.290 18728 16591 1 17 . 1 1 64 64 THR HA H 64 4.902 4.902 4.601 0.301 18728 16592 1 17 . 1 1 64 64 THR C C 64 174.667 174.667 174.344 0.323 18728 16593 1 17 . 1 1 64 64 THR CA C 64 59.184 59.184 60.264 -1.080 18728 16594 1 17 . 1 1 64 64 THR CB C 64 73.193 73.193 72.026 1.167 18728 16595 1 17 . 1 1 64 64 THR H H 64 7.992 7.992 7.642 0.350 18728 16596 1 17 . 1 1 65 65 VAL N N 65 120.939 120.939 122.850 -1.911 18728 16597 1 17 . 1 1 65 65 VAL HA H 65 3.670 3.670 3.781 -0.111 18728 16598 1 17 . 1 1 65 65 VAL C C 65 177.446 177.446 176.928 0.518 18728 16599 1 17 . 1 1 65 65 VAL CA C 65 65.535 65.535 65.082 0.453 18728 16600 1 17 . 1 1 65 65 VAL CB C 65 31.538 31.538 32.014 -0.475 18728 16601 1 17 . 1 1 65 65 VAL H H 65 8.968 8.968 9.010 -0.042 18728 16602 1 17 . 1 1 66 66 GLU N N 66 120.818 120.818 119.834 0.984 18728 16603 1 17 . 1 1 66 66 GLU HA H 66 4.045 4.045 3.869 0.176 18728 16604 1 17 . 1 1 66 66 GLU C C 66 180.056 180.056 178.465 1.591 18728 16605 1 17 . 1 1 66 66 GLU CA C 66 60.430 60.430 60.624 -0.194 18728 16606 1 17 . 1 1 66 66 GLU CB C 66 28.909 28.909 28.652 0.257 18728 16607 1 17 . 1 1 66 66 GLU H H 66 8.686 8.686 8.833 -0.147 18728 16608 1 17 . 1 1 67 67 GLU N N 67 120.729 120.729 118.334 2.395 18728 16609 1 17 . 1 1 67 67 GLU HA H 67 3.853 3.853 4.030 -0.177 18728 16610 1 17 . 1 1 67 67 GLU C C 67 177.040 177.040 178.441 -1.401 18728 16611 1 17 . 1 1 67 67 GLU CA C 67 59.391 59.391 59.630 -0.239 18728 16612 1 17 . 1 1 67 67 GLU CB C 67 29.590 29.590 29.005 0.586 18728 16613 1 17 . 1 1 67 67 GLU H H 67 7.487 7.487 8.586 -1.099 18728 16614 1 17 . 1 1 68 68 VAL N N 68 118.408 118.408 119.378 -0.970 18728 16615 1 17 . 1 1 68 68 VAL HA H 68 3.165 3.165 3.080 0.085 18728 16616 1 17 . 1 1 68 68 VAL C C 68 178.293 178.293 177.521 0.772 18728 16617 1 17 . 1 1 68 68 VAL CA C 68 66.391 66.391 66.167 0.224 18728 16618 1 17 . 1 1 68 68 VAL CB C 68 31.092 31.092 31.222 -0.130 18728 16619 1 17 . 1 1 68 68 VAL H H 68 6.882 6.882 7.099 -0.217 18728 16620 1 17 . 1 1 69 69 ASP N N 69 119.356 119.356 120.229 -0.873 18728 16621 1 17 . 1 1 69 69 ASP HA H 69 4.128 4.128 4.257 -0.129 18728 16622 1 17 . 1 1 69 69 ASP C C 69 178.765 178.765 178.256 0.509 18728 16623 1 17 . 1 1 69 69 ASP CA C 69 57.394 57.394 57.638 -0.244 18728 16624 1 17 . 1 1 69 69 ASP CB C 69 39.879 39.879 40.853 -0.974 18728 16625 1 17 . 1 1 69 69 ASP H H 69 8.109 8.109 8.200 -0.091 18728 16626 1 17 . 1 1 70 70 ALA N N 70 123.031 123.031 121.141 1.890 18728 16627 1 17 . 1 1 70 70 ALA HA H 70 4.070 4.070 4.043 0.027 18728 16628 1 17 . 1 1 70 70 ALA C C 70 180.518 180.518 179.228 1.290 18728 16629 1 17 . 1 1 70 70 ALA CA C 70 55.209 55.209 55.209 -0.000 18728 16630 1 17 . 1 1 70 70 ALA CB C 70 18.104 18.104 18.324 -0.220 18728 16631 1 17 . 1 1 70 70 ALA H H 70 7.736 7.736 8.043 -0.307 18728 16632 1 17 . 1 1 71 71 ALA N N 71 121.446 121.446 119.272 2.174 18728 16633 1 17 . 1 1 71 71 ALA HA H 71 3.034 3.034 3.893 -0.859 18728 16634 1 17 . 1 1 71 71 ALA C C 71 182.248 182.248 179.827 2.421 18728 16635 1 17 . 1 1 71 71 ALA CA C 71 55.251 55.251 54.452 0.799 18728 16636 1 17 . 1 1 71 71 ALA CB C 71 17.976 17.976 18.500 -0.524 18728 16637 1 17 . 1 1 71 71 ALA H H 71 8.101 8.101 7.158 0.943 18728 16638 1 17 . 1 1 72 72 MET N N 72 118.027 118.027 117.717 0.310 18728 16639 1 17 . 1 1 72 72 MET HA H 72 4.430 4.430 4.198 0.232 18728 16640 1 17 . 1 1 72 72 MET C C 72 179.409 179.409 178.861 0.548 18728 16641 1 17 . 1 1 72 72 MET CA C 72 56.379 56.379 58.411 -2.032 18728 16642 1 17 . 1 1 72 72 MET CB C 72 30.498 30.498 32.162 -1.664 18728 16643 1 17 . 1 1 72 72 MET H H 72 8.681 8.681 8.356 0.325 18728 16644 1 17 . 1 1 73 73 ASN N N 73 119.415 119.415 117.526 1.889 18728 16645 1 17 . 1 1 73 73 ASN HA H 73 4.627 4.627 4.613 0.014 18728 16646 1 17 . 1 1 73 73 ASN C C 73 175.014 175.014 176.227 -1.213 18728 16647 1 17 . 1 1 73 73 ASN CA C 73 54.323 54.323 55.141 -0.817 18728 16648 1 17 . 1 1 73 73 ASN CB C 73 38.468 38.468 38.678 -0.210 18728 16649 1 17 . 1 1 73 73 ASN H H 73 8.096 8.096 8.481 -0.385 18728 16650 1 17 . 1 1 74 74 ALA N N 74 122.253 122.253 121.032 1.221 18728 16651 1 17 . 1 1 74 74 ALA HA H 74 4.299 4.299 4.301 -0.002 18728 16652 1 17 . 1 1 74 74 ALA C C 74 175.305 175.305 176.928 -1.623 18728 16653 1 17 . 1 1 74 74 ALA CA C 74 51.273 51.273 51.257 0.016 18728 16654 1 17 . 1 1 74 74 ALA CB C 74 18.922 18.922 18.823 0.100 18728 16655 1 17 . 1 1 74 74 ALA H H 74 6.966 6.966 7.347 -0.381 18728 16656 1 17 . 1 1 75 75 ARG N N 75 116.833 116.833 120.408 -3.575 18728 16657 1 17 . 1 1 75 75 ARG HA H 75 3.608 3.608 4.107 -0.499 18728 16658 1 17 . 1 1 75 75 ARG CA C 75 55.086 55.086 55.774 -0.688 18728 16659 1 17 . 1 1 75 75 ARG CB C 75 30.199 30.199 30.230 -0.031 18728 16660 1 17 . 1 1 75 75 ARG H H 75 6.749 6.749 7.208 -0.459 18728 16661 1 17 . 1 1 76 76 PRO HA H 76 4.434 4.434 4.505 -0.071 18728 16662 1 17 . 1 1 76 76 PRO C C 76 175.590 175.590 175.647 -0.057 18728 16663 1 17 . 1 1 76 76 PRO CA C 76 61.614 61.614 62.578 -0.964 18728 16664 1 17 . 1 1 76 76 PRO CB C 76 34.982 34.982 33.053 1.929 18728 16665 1 17 . 1 1 77 77 HIS N N 77 122.039 122.039 116.560 5.479 18728 16666 1 17 . 1 1 77 77 HIS HA H 77 4.559 4.559 4.880 -0.321 18728 16667 1 17 . 1 1 77 77 HIS C C 77 173.137 173.137 173.615 -0.478 18728 16668 1 17 . 1 1 77 77 HIS CA C 77 56.231 56.231 55.449 0.782 18728 16669 1 17 . 1 1 77 77 HIS CB C 77 32.909 32.909 34.180 -1.271 18728 16670 1 17 . 1 1 77 77 HIS H H 77 9.384 9.384 8.245 1.139 18728 16671 1 17 . 1 1 78 78 LYS N N 78 125.607 125.607 123.562 2.045 18728 16672 1 17 . 1 1 78 78 LYS HA H 78 4.939 4.939 5.130 -0.191 18728 16673 1 17 . 1 1 78 78 LYS C C 78 174.858 174.858 174.733 0.125 18728 16674 1 17 . 1 1 78 78 LYS CA C 78 54.755 54.755 55.417 -0.662 18728 16675 1 17 . 1 1 78 78 LYS CB C 78 33.475 33.475 34.532 -1.057 18728 16676 1 17 . 1 1 78 78 LYS H H 78 8.485 8.485 8.676 -0.191 18728 16677 1 17 . 1 1 79 79 VAL N N 79 124.596 124.596 125.254 -0.658 18728 16678 1 17 . 1 1 79 79 VAL HA H 79 3.955 3.955 3.727 0.228 18728 16679 1 17 . 1 1 79 79 VAL C C 79 176.295 176.295 175.676 0.619 18728 16680 1 17 . 1 1 79 79 VAL CA C 79 60.737 60.737 60.507 0.230 18728 16681 1 17 . 1 1 79 79 VAL CB C 79 33.249 33.249 33.070 0.179 18728 16682 1 17 . 1 1 79 79 VAL H H 79 8.581 8.581 8.183 0.398 18728 16683 1 17 . 1 1 80 80 ASP N N 80 128.668 128.668 125.854 2.814 18728 16684 1 17 . 1 1 80 80 ASP HA H 80 4.228 4.228 4.245 -0.017 18728 16685 1 17 . 1 1 80 80 ASP C C 80 175.744 175.744 175.711 0.033 18728 16686 1 17 . 1 1 80 80 ASP CA C 80 55.882 55.882 54.974 0.908 18728 16687 1 17 . 1 1 80 80 ASP CB C 80 39.692 39.692 40.370 -0.678 18728 16688 1 17 . 1 1 80 80 ASP H H 80 9.553 9.553 9.197 0.356 18728 16689 1 17 . 1 1 81 81 GLY N N 81 101.527 101.527 102.886 -1.359 18728 16690 1 17 . 1 1 81 81 GLY C C 81 173.560 173.560 173.702 -0.142 18728 16691 1 17 . 1 1 81 81 GLY CA C 81 45.445 45.445 45.498 -0.053 18728 16692 1 17 . 1 1 81 81 GLY H H 81 8.488 8.488 8.480 0.008 18728 16693 1 17 . 1 1 82 82 ARG N N 82 120.493 120.493 119.872 0.621 18728 16694 1 17 . 1 1 82 82 ARG HA H 82 4.640 4.640 4.647 -0.007 18728 16695 1 17 . 1 1 82 82 ARG C C 82 174.512 174.512 174.718 -0.206 18728 16696 1 17 . 1 1 82 82 ARG CA C 82 53.161 53.161 54.442 -1.281 18728 16697 1 17 . 1 1 82 82 ARG CB C 82 32.507 32.507 33.324 -0.817 18728 16698 1 17 . 1 1 82 82 ARG H H 82 7.555 7.555 7.503 0.052 18728 16699 1 17 . 1 1 83 83 VAL N N 83 124.855 124.855 126.673 -1.818 18728 16700 1 17 . 1 1 83 83 VAL HA H 83 4.501 4.501 4.287 0.214 18728 16701 1 17 . 1 1 83 83 VAL C C 83 176.701 176.701 175.502 1.199 18728 16702 1 17 . 1 1 83 83 VAL CA C 83 63.290 63.290 63.483 -0.193 18728 16703 1 17 . 1 1 83 83 VAL CB C 83 30.867 30.867 31.655 -0.788 18728 16704 1 17 . 1 1 83 83 VAL H H 83 8.633 8.633 8.631 0.002 18728 16705 1 17 . 1 1 84 84 VAL N N 84 122.944 122.944 124.829 -1.885 18728 16706 1 17 . 1 1 84 84 VAL HA H 84 4.667 4.667 4.989 -0.322 18728 16707 1 17 . 1 1 84 84 VAL C C 84 174.969 174.969 174.507 0.462 18728 16708 1 17 . 1 1 84 84 VAL CA C 84 59.499 59.499 59.266 0.233 18728 16709 1 17 . 1 1 84 84 VAL CB C 84 32.761 32.761 35.076 -2.315 18728 16710 1 17 . 1 1 84 84 VAL H H 84 8.391 8.391 8.543 -0.152 18728 16711 1 17 . 1 1 85 85 GLU N N 85 120.907 120.907 123.114 -2.207 18728 16712 1 17 . 1 1 85 85 GLU HA H 85 5.087 5.087 4.973 0.114 18728 16713 1 17 . 1 1 85 85 GLU CA C 85 52.949 52.949 52.370 0.579 18728 16714 1 17 . 1 1 85 85 GLU CB C 85 31.367 31.367 32.023 -0.656 18728 16715 1 17 . 1 1 85 85 GLU H H 85 8.681 8.681 9.017 -0.336 18728 16716 1 17 . 1 1 86 86 PRO HA H 86 5.383 5.383 4.934 0.449 18728 16717 1 17 . 1 1 86 86 PRO C C 86 175.908 175.908 176.010 -0.102 18728 16718 1 17 . 1 1 86 86 PRO CA C 86 61.444 61.444 62.790 -1.346 18728 16719 1 17 . 1 1 86 86 PRO CB C 86 32.657 32.657 32.600 0.057 18728 16720 1 17 . 1 1 87 87 LYS N N 87 121.252 121.252 120.347 0.905 18728 16721 1 17 . 1 1 87 87 LYS HA H 87 4.688 4.688 5.057 -0.369 18728 16722 1 17 . 1 1 87 87 LYS C C 87 175.676 175.676 176.266 -0.590 18728 16723 1 17 . 1 1 87 87 LYS CA C 87 55.101 55.101 54.012 1.089 18728 16724 1 17 . 1 1 87 87 LYS CB C 87 36.608 36.608 36.744 -0.136 18728 16725 1 17 . 1 1 87 87 LYS H H 87 9.397 9.397 8.828 0.569 18728 16726 1 17 . 1 1 88 88 ARG N N 88 123.272 123.272 120.613 2.659 18728 16727 1 17 . 1 1 88 88 ARG HA H 88 4.375 4.375 4.439 -0.064 18728 16728 1 17 . 1 1 88 88 ARG C C 88 177.011 177.011 176.604 0.407 18728 16729 1 17 . 1 1 88 88 ARG CA C 88 57.209 57.209 56.330 0.879 18728 16730 1 17 . 1 1 88 88 ARG CB C 88 30.452 30.452 31.023 -0.571 18728 16731 1 17 . 1 1 88 88 ARG H H 88 8.940 8.940 8.839 0.101 18728 16732 1 17 . 1 1 89 89 ALA N N 89 126.260 126.260 128.997 -2.737 18728 16733 1 17 . 1 1 89 89 ALA HA H 89 4.259 4.259 4.758 -0.499 18728 16734 1 17 . 1 1 89 89 ALA C C 89 177.452 177.452 175.983 1.469 18728 16735 1 17 . 1 1 89 89 ALA CA C 89 53.712 53.712 51.063 2.649 18728 16736 1 17 . 1 1 89 89 ALA CB C 89 18.824 18.824 18.817 0.007 18728 16737 1 17 . 1 1 89 89 ALA H H 89 8.424 8.424 8.109 0.315 18728 16738 1 17 . 1 1 90 90 VAL N N 90 115.835 115.835 124.560 -8.725 18728 16739 1 17 . 1 1 90 90 VAL HA H 90 4.182 4.182 3.934 0.248 18728 16740 1 17 . 1 1 90 90 VAL C C 90 175.397 175.397 176.436 -1.039 18728 16741 1 17 . 1 1 90 90 VAL CA C 90 61.516 61.516 62.722 -1.206 18728 16742 1 17 . 1 1 90 90 VAL CB C 90 33.448 33.448 32.675 0.773 18728 16743 1 17 . 1 1 90 90 VAL H H 90 7.892 7.892 7.850 0.042 18728 16744 1 17 . 1 1 91 91 SER N N 91 119.224 119.224 120.415 -1.191 18728 16745 1 17 . 1 1 91 91 SER HA H 91 4.420 4.420 4.250 0.170 18728 16746 1 17 . 1 1 91 91 SER CA C 91 57.888 57.888 58.770 -0.882 18728 16747 1 17 . 1 1 91 91 SER CB C 91 63.788 63.788 64.017 -0.229 18728 16748 1 17 . 1 1 91 91 SER H H 91 8.327 8.327 8.664 -0.337 18728 16749 1 17 . 1 1 92 92 ARG HA H 92 4.231 4.231 4.074 0.157 18728 16750 1 17 . 1 1 92 92 ARG C C 92 176.651 176.651 178.146 -1.495 18728 16751 1 17 . 1 1 92 92 ARG CA C 92 56.671 56.671 58.271 -1.600 18728 16752 1 17 . 1 1 92 92 ARG CB C 92 30.776 30.776 29.642 1.134 18728 16753 1 17 . 1 1 92 92 ARG H H 92 8.425 8.425 8.881 -0.456 18728 16754 1 17 . 1 1 93 93 GLU N N 93 121.483 121.483 118.446 3.037 18728 16755 1 17 . 1 1 93 93 GLU HA H 93 4.181 4.181 4.124 0.057 18728 16756 1 17 . 1 1 93 93 GLU C C 93 176.605 176.605 178.222 -1.617 18728 16757 1 17 . 1 1 93 93 GLU CA C 93 57.185 57.185 59.031 -1.846 18728 16758 1 17 . 1 1 93 93 GLU CB C 93 30.015 30.015 29.339 0.676 18728 16759 1 17 . 1 1 93 93 GLU H H 93 8.503 8.503 8.455 0.048 18728 16760 1 17 . 1 1 94 94 ASP N N 94 121.305 121.305 119.434 1.871 18728 16761 1 17 . 1 1 94 94 ASP HA H 94 4.540 4.540 4.571 -0.031 18728 16762 1 17 . 1 1 94 94 ASP C C 94 176.744 176.744 178.431 -1.687 18728 16763 1 17 . 1 1 94 94 ASP CA C 94 54.678 54.678 56.339 -1.661 18728 16764 1 17 . 1 1 94 94 ASP CB C 94 41.183 41.183 41.054 0.129 18728 16765 1 17 . 1 1 94 94 ASP H H 94 8.229 8.229 8.019 0.210 18728 16766 1 17 . 1 1 95 95 SER N N 95 115.787 115.787 115.566 0.221 18728 16767 1 17 . 1 1 95 95 SER HA H 95 4.286 4.286 4.008 0.278 18728 16768 1 17 . 1 1 95 95 SER C C 95 174.602 174.602 175.264 -0.662 18728 16769 1 17 . 1 1 95 95 SER CA C 95 58.957 58.957 59.839 -0.882 18728 16770 1 17 . 1 1 95 95 SER CB C 95 64.524 64.524 62.919 1.605 18728 16771 1 17 . 1 1 95 95 SER H H 95 8.109 8.109 8.368 -0.259 18728 16772 1 17 . 1 1 96 96 GLN N N 96 120.796 120.796 119.142 1.654 18728 16773 1 17 . 1 1 96 96 GLN HA H 96 4.297 4.297 4.181 0.116 18728 16774 1 17 . 1 1 96 96 GLN C C 96 175.742 175.742 176.040 -0.298 18728 16775 1 17 . 1 1 96 96 GLN CA C 96 55.721 55.721 56.415 -0.694 18728 16776 1 17 . 1 1 96 96 GLN CB C 96 29.313 29.313 29.179 0.134 18728 16777 1 17 . 1 1 96 96 GLN H H 96 8.161 8.161 7.255 0.906 18728 16778 1 17 . 1 1 97 97 ARG N N 97 122.462 122.462 120.709 1.753 18728 16779 1 17 . 1 1 97 97 ARG HA H 97 4.552 4.552 4.547 0.005 18728 16780 1 17 . 1 1 97 97 ARG CA C 97 54.096 54.096 52.804 1.292 18728 16781 1 17 . 1 1 97 97 ARG CB C 97 30.115 30.115 28.927 1.188 18728 16782 1 17 . 1 1 97 97 ARG H H 97 8.029 8.029 7.479 0.550 18728 16783 1 17 . 1 1 98 98 PRO HA H 98 4.362 4.362 4.292 0.070 18728 16784 1 17 . 1 1 98 98 PRO C C 98 177.715 177.715 177.412 0.303 18728 16785 1 17 . 1 1 98 98 PRO CA C 98 63.592 63.592 63.556 0.036 18728 16786 1 17 . 1 1 98 98 PRO CB C 98 31.955 31.955 31.122 0.833 18728 16787 1 17 . 1 1 99 99 GLY N N 99 109.572 109.572 112.989 -3.417 18728 16788 1 17 . 1 1 99 99 GLY C C 99 174.356 174.356 174.049 0.307 18728 16789 1 17 . 1 1 99 99 GLY CA C 99 45.395 45.395 44.804 0.591 18728 16790 1 17 . 1 1 99 99 GLY H H 99 8.516 8.516 8.619 -0.103 18728 16791 1 17 . 1 1 100 100 ALA N N 100 123.418 123.418 121.657 1.761 18728 16792 1 17 . 1 1 100 100 ALA HA H 100 4.141 4.141 3.842 0.299 18728 16793 1 17 . 1 1 100 100 ALA CA C 100 53.160 53.160 54.001 -0.841 18728 16794 1 17 . 1 1 100 100 ALA CB C 100 19.185 19.185 19.474 -0.288 18728 16795 1 17 . 1 1 100 100 ALA H H 100 8.015 8.015 7.298 0.717 18728 16796 1 17 . 1 1 101 101 HIS HA H 101 4.502 4.502 4.406 0.096 18728 16797 1 17 . 1 1 101 101 HIS C C 101 175.102 175.102 174.592 0.510 18728 16798 1 17 . 1 1 101 101 HIS CA C 101 56.309 56.309 54.792 1.517 18728 16799 1 17 . 1 1 101 101 HIS CB C 101 30.450 30.450 29.043 1.407 18728 16800 1 17 . 1 1 102 102 LEU N N 102 122.495 122.495 118.845 3.650 18728 16801 1 17 . 1 1 102 102 LEU HA H 102 4.263 4.263 4.455 -0.192 18728 16802 1 17 . 1 1 102 102 LEU C C 102 177.020 177.020 177.174 -0.154 18728 16803 1 17 . 1 1 102 102 LEU CA C 102 54.934 54.934 54.537 0.397 18728 16804 1 17 . 1 1 102 102 LEU CB C 102 42.414 42.414 43.203 -0.789 18728 16805 1 17 . 1 1 102 102 LEU H H 102 7.774 7.774 7.475 0.299 18728 16806 1 17 . 1 1 103 103 THR N N 103 115.720 115.720 117.995 -2.275 18728 16807 1 17 . 1 1 103 103 THR HA H 103 4.220 4.220 4.130 0.090 18728 16808 1 17 . 1 1 103 103 THR C C 103 174.185 174.185 174.031 0.154 18728 16809 1 17 . 1 1 103 103 THR CA C 103 60.917 60.917 62.902 -1.985 18728 16810 1 17 . 1 1 103 103 THR CB C 103 69.340 69.340 67.579 1.761 18728 16811 1 17 . 1 1 103 103 THR H H 103 8.001 8.001 8.501 -0.500 18728 16812 1 17 . 1 1 104 104 VAL N N 104 122.004 122.004 125.856 -3.852 18728 16813 1 17 . 1 1 104 104 VAL HA H 104 4.330 4.330 4.237 0.093 18728 16814 1 17 . 1 1 104 104 VAL C C 104 175.294 175.294 175.391 -0.097 18728 16815 1 17 . 1 1 104 104 VAL CA C 104 61.877 61.877 61.855 0.022 18728 16816 1 17 . 1 1 104 104 VAL CB C 104 34.220 34.220 32.742 1.478 18728 16817 1 17 . 1 1 104 104 VAL H H 104 8.191 8.191 7.924 0.267 18728 16818 1 17 . 1 1 105 105 LYS N N 105 121.406 121.406 126.330 -4.924 18728 16819 1 17 . 1 1 105 105 LYS HA H 105 4.498 4.498 4.590 -0.092 18728 16820 1 17 . 1 1 105 105 LYS C C 105 173.482 173.482 175.621 -2.139 18728 16821 1 17 . 1 1 105 105 LYS CA C 105 56.433 56.433 55.665 0.768 18728 16822 1 17 . 1 1 105 105 LYS CB C 105 33.245 33.245 32.743 0.502 18728 16823 1 17 . 1 1 105 105 LYS H H 105 8.672 8.672 8.816 -0.144 18728 16824 1 17 . 1 1 106 106 LYS N N 106 121.756 121.756 119.255 2.501 18728 16825 1 17 . 1 1 106 106 LYS HA H 106 5.623 5.623 5.635 -0.012 18728 16826 1 17 . 1 1 106 106 LYS C C 106 175.153 175.153 175.512 -0.359 18728 16827 1 17 . 1 1 106 106 LYS CA C 106 54.537 54.537 54.755 -0.219 18728 16828 1 17 . 1 1 106 106 LYS CB C 106 37.407 37.407 36.648 0.759 18728 16829 1 17 . 1 1 106 106 LYS H H 106 7.134 7.134 7.773 -0.639 18728 16830 1 17 . 1 1 107 107 ILE N N 107 115.982 115.982 117.973 -1.991 18728 16831 1 17 . 1 1 107 107 ILE HA H 107 5.110 5.110 5.271 -0.161 18728 16832 1 17 . 1 1 107 107 ILE C C 107 174.525 174.525 174.197 0.328 18728 16833 1 17 . 1 1 107 107 ILE CA C 107 59.009 59.009 58.925 0.084 18728 16834 1 17 . 1 1 107 107 ILE CB C 107 40.552 40.552 41.330 -0.778 18728 16835 1 17 . 1 1 107 107 ILE H H 107 8.948 8.948 8.684 0.264 18728 16836 1 17 . 1 1 108 108 PHE N N 108 124.182 124.182 124.909 -0.727 18728 16837 1 17 . 1 1 108 108 PHE HA H 108 4.696 4.696 4.673 0.023 18728 16838 1 17 . 1 1 108 108 PHE C C 108 173.422 173.422 173.388 0.034 18728 16839 1 17 . 1 1 108 108 PHE CA C 108 56.567 56.567 55.894 0.673 18728 16840 1 17 . 1 1 108 108 PHE CB C 108 41.596 41.596 41.393 0.203 18728 16841 1 17 . 1 1 108 108 PHE H H 108 9.103 9.103 8.874 0.229 18728 16842 1 17 . 1 1 109 109 VAL N N 109 126.956 126.956 127.009 -0.053 18728 16843 1 17 . 1 1 109 109 VAL HA H 109 4.497 4.497 4.742 -0.245 18728 16844 1 17 . 1 1 109 109 VAL C C 109 174.097 174.097 174.170 -0.073 18728 16845 1 17 . 1 1 109 109 VAL CA C 109 60.493 60.493 60.323 0.170 18728 16846 1 17 . 1 1 109 109 VAL CB C 109 33.266 33.266 32.762 0.504 18728 16847 1 17 . 1 1 109 109 VAL H H 109 8.338 8.338 8.357 -0.019 18728 16848 1 17 . 1 1 110 110 GLY N N 110 113.617 113.617 112.980 0.637 18728 16849 1 17 . 1 1 110 110 GLY C C 110 174.325 174.325 173.310 1.015 18728 16850 1 17 . 1 1 110 110 GLY CA C 110 44.011 44.011 43.485 0.526 18728 16851 1 17 . 1 1 110 110 GLY H H 110 9.173 9.173 8.505 0.668 18728 16852 1 17 . 1 1 111 111 GLY N N 111 106.411 106.411 108.464 -2.053 18728 16853 1 17 . 1 1 111 111 GLY CA C 111 46.359 46.359 45.072 1.287 18728 16854 1 17 . 1 1 111 111 GLY H H 111 8.221 8.221 8.131 0.090 18728 16855 1 17 . 1 1 116 116 THR HA H 116 4.322 4.322 4.460 -0.138 18728 16856 1 17 . 1 1 116 116 THR C C 116 173.380 173.380 173.930 -0.550 18728 16857 1 17 . 1 1 116 116 THR CA C 116 63.000 63.000 61.415 1.585 18728 16858 1 17 . 1 1 117 117 GLU N N 117 130.298 130.298 124.720 5.578 18728 16859 1 17 . 1 1 117 117 GLU HA H 117 4.632 4.632 4.400 0.232 18728 16860 1 17 . 1 1 117 117 GLU C C 117 177.632 177.632 176.664 0.968 18728 16861 1 17 . 1 1 117 117 GLU CA C 117 53.853 53.853 54.989 -1.136 18728 16862 1 17 . 1 1 117 117 GLU CB C 117 32.977 32.977 30.732 2.245 18728 16863 1 17 . 1 1 117 117 GLU H H 117 11.190 11.190 7.737 3.453 18728 16864 1 17 . 1 1 118 118 GLU N N 118 122.126 122.126 123.186 -1.060 18728 16865 1 17 . 1 1 118 118 GLU HA H 118 3.627 3.627 3.902 -0.275 18728 16866 1 17 . 1 1 118 118 GLU C C 118 179.294 179.294 177.882 1.412 18728 16867 1 17 . 1 1 118 118 GLU CA C 118 61.689 61.689 60.241 1.448 18728 16868 1 17 . 1 1 118 118 GLU CB C 118 29.075 29.075 29.662 -0.587 18728 16869 1 17 . 1 1 118 118 GLU H H 118 9.339 9.339 8.993 0.346 18728 16870 1 17 . 1 1 119 119 HIS N N 119 113.514 113.514 116.441 -2.927 18728 16871 1 17 . 1 1 119 119 HIS HA H 119 4.265 4.265 4.327 -0.062 18728 16872 1 17 . 1 1 119 119 HIS C C 119 176.566 176.566 177.931 -1.365 18728 16873 1 17 . 1 1 119 119 HIS CA C 119 58.917 58.917 60.538 -1.621 18728 16874 1 17 . 1 1 119 119 HIS CB C 119 28.187 28.187 29.160 -0.973 18728 16875 1 17 . 1 1 119 119 HIS H H 119 8.240 8.240 8.792 -0.552 18728 16876 1 17 . 1 1 120 120 HIS N N 120 118.629 118.629 117.660 0.969 18728 16877 1 17 . 1 1 120 120 HIS HA H 120 4.332 4.332 4.274 0.058 18728 16878 1 17 . 1 1 120 120 HIS C C 120 179.713 179.713 177.352 2.361 18728 16879 1 17 . 1 1 120 120 HIS CA C 120 60.310 60.310 59.198 1.112 18728 16880 1 17 . 1 1 120 120 HIS CB C 120 32.233 32.233 29.958 2.275 18728 16881 1 17 . 1 1 120 120 HIS H H 120 6.474 6.474 8.173 -1.699 18728 16882 1 17 . 1 1 121 121 LEU N N 121 117.249 117.249 115.623 1.626 18728 16883 1 17 . 1 1 121 121 LEU HA H 121 4.179 4.179 4.314 -0.135 18728 16884 1 17 . 1 1 121 121 LEU C C 121 178.020 178.020 178.408 -0.388 18728 16885 1 17 . 1 1 121 121 LEU CA C 121 57.924 57.924 57.697 0.227 18728 16886 1 17 . 1 1 121 121 LEU CB C 121 42.577 42.577 41.035 1.542 18728 16887 1 17 . 1 1 121 121 LEU H H 121 7.132 7.132 7.662 -0.530 18728 16888 1 17 . 1 1 122 122 ARG N N 122 121.766 121.766 121.340 0.426 18728 16889 1 17 . 1 1 122 122 ARG HA H 122 3.741 3.741 4.031 -0.290 18728 16890 1 17 . 1 1 122 122 ARG C C 122 177.023 177.023 178.119 -1.096 18728 16891 1 17 . 1 1 122 122 ARG CA C 122 60.508 60.508 59.827 0.681 18728 16892 1 17 . 1 1 122 122 ARG CB C 122 30.256 30.256 29.749 0.507 18728 16893 1 17 . 1 1 122 122 ARG H H 122 8.759 8.759 8.946 -0.187 18728 16894 1 17 . 1 1 123 123 ASP N N 123 116.299 116.299 117.682 -1.383 18728 16895 1 17 . 1 1 123 123 ASP HA H 123 4.294 4.294 4.453 -0.159 18728 16896 1 17 . 1 1 123 123 ASP C C 123 178.057 178.057 178.307 -0.250 18728 16897 1 17 . 1 1 123 123 ASP CA C 123 57.076 57.076 57.388 -0.312 18728 16898 1 17 . 1 1 123 123 ASP CB C 123 40.572 40.572 40.850 -0.278 18728 16899 1 17 . 1 1 123 123 ASP H H 123 8.423 8.423 8.109 0.314 18728 16900 1 17 . 1 1 124 124 TYR N N 124 115.172 115.172 120.336 -5.164 18728 16901 1 17 . 1 1 124 124 TYR HA H 124 4.338 4.338 4.200 0.138 18728 16902 1 17 . 1 1 124 124 TYR C C 124 177.688 177.688 177.804 -0.116 18728 16903 1 17 . 1 1 124 124 TYR CA C 124 61.660 61.660 61.243 0.417 18728 16904 1 17 . 1 1 124 124 TYR CB C 124 39.847 39.847 38.686 1.161 18728 16905 1 17 . 1 1 124 124 TYR H H 124 7.212 7.212 7.478 -0.266 18728 16906 1 17 . 1 1 125 125 PHE N N 125 113.932 113.932 117.722 -3.790 18728 16907 1 17 . 1 1 125 125 PHE HA H 125 4.515 4.515 4.300 0.215 18728 16908 1 17 . 1 1 125 125 PHE C C 125 178.209 178.209 178.436 -0.227 18728 16909 1 17 . 1 1 125 125 PHE CA C 125 63.404 63.404 60.886 2.518 18728 16910 1 17 . 1 1 125 125 PHE CB C 125 38.614 38.614 38.300 0.314 18728 16911 1 17 . 1 1 125 125 PHE H H 125 8.802 8.802 8.842 -0.040 18728 16912 1 17 . 1 1 126 126 GLU N N 126 120.515 120.515 119.180 1.335 18728 16913 1 17 . 1 1 126 126 GLU HA H 126 4.884 4.884 4.470 0.414 18728 16914 1 17 . 1 1 126 126 GLU C C 126 177.936 177.936 177.372 0.564 18728 16915 1 17 . 1 1 126 126 GLU CA C 126 58.560 58.560 58.338 0.222 18728 16916 1 17 . 1 1 126 126 GLU CB C 126 28.516 28.516 29.317 -0.801 18728 16917 1 17 . 1 1 126 126 GLU H H 126 8.869 8.869 8.191 0.678 18728 16918 1 17 . 1 1 127 127 GLN N N 127 115.855 115.855 115.621 0.234 18728 16919 1 17 . 1 1 127 127 GLN HA H 127 4.055 4.055 4.004 0.051 18728 16920 1 17 . 1 1 127 127 GLN C C 127 176.656 176.656 177.709 -1.053 18728 16921 1 17 . 1 1 127 127 GLN CA C 127 57.566 57.566 57.781 -0.215 18728 16922 1 17 . 1 1 127 127 GLN CB C 127 29.047 29.047 28.787 0.260 18728 16923 1 17 . 1 1 127 127 GLN H H 127 7.105 7.105 7.655 -0.550 18728 16924 1 17 . 1 1 128 128 TYR N N 128 116.626 116.626 116.324 0.302 18728 16925 1 17 . 1 1 128 128 TYR HA H 128 4.328 4.328 4.397 -0.069 18728 16926 1 17 . 1 1 128 128 TYR C C 128 175.596 175.596 175.380 0.216 18728 16927 1 17 . 1 1 128 128 TYR CA C 128 59.492 59.492 59.402 0.090 18728 16928 1 17 . 1 1 128 128 TYR CB C 128 39.539 39.539 39.809 -0.270 18728 16929 1 17 . 1 1 128 128 TYR H H 128 7.950 7.950 7.864 0.086 18728 16930 1 17 . 1 1 129 129 GLY N N 129 107.386 107.386 102.712 4.674 18728 16931 1 17 . 1 1 129 129 GLY C C 129 170.407 170.407 172.039 -1.632 18728 16932 1 17 . 1 1 129 129 GLY CA C 129 44.819 44.819 45.285 -0.466 18728 16933 1 17 . 1 1 129 129 GLY H H 129 7.492 7.492 7.617 -0.125 18728 16934 1 17 . 1 1 130 130 LYS N N 130 117.786 117.786 120.968 -3.182 18728 16935 1 17 . 1 1 130 130 LYS HA H 130 4.315 4.315 4.483 -0.168 18728 16936 1 17 . 1 1 130 130 LYS C C 130 177.097 177.097 175.386 1.711 18728 16937 1 17 . 1 1 130 130 LYS CA C 130 56.938 56.938 56.214 0.724 18728 16938 1 17 . 1 1 130 130 LYS CB C 130 33.199 33.199 33.519 -0.320 18728 16939 1 17 . 1 1 130 130 LYS H H 130 8.135 8.135 8.613 -0.478 18728 16940 1 17 . 1 1 131 131 ILE N N 131 127.829 127.829 126.276 1.553 18728 16941 1 17 . 1 1 131 131 ILE HA H 131 3.681 3.681 3.905 -0.224 18728 16942 1 17 . 1 1 131 131 ILE C C 131 175.841 175.841 175.943 -0.102 18728 16943 1 17 . 1 1 131 131 ILE CA C 131 61.625 61.625 60.340 1.285 18728 16944 1 17 . 1 1 131 131 ILE CB C 131 40.441 40.441 39.682 0.759 18728 16945 1 17 . 1 1 131 131 ILE H H 131 8.917 8.917 8.494 0.423 18728 16946 1 17 . 1 1 132 132 GLU N N 132 128.437 128.437 127.376 1.061 18728 16947 1 17 . 1 1 132 132 GLU HA H 132 4.320 4.320 4.326 -0.006 18728 16948 1 17 . 1 1 132 132 GLU C C 132 176.192 176.192 175.854 0.338 18728 16949 1 17 . 1 1 132 132 GLU CA C 132 57.816 57.816 58.166 -0.350 18728 16950 1 17 . 1 1 132 132 GLU CB C 132 31.670 31.670 31.135 0.535 18728 16951 1 17 . 1 1 132 132 GLU H H 132 9.136 9.136 8.733 0.403 18728 16952 1 17 . 1 1 133 133 VAL N N 133 115.096 115.096 116.366 -1.270 18728 16953 1 17 . 1 1 133 133 VAL HA H 133 4.316 4.316 4.215 0.101 18728 16954 1 17 . 1 1 133 133 VAL C C 133 172.860 172.860 173.718 -0.858 18728 16955 1 17 . 1 1 133 133 VAL CA C 133 61.258 61.258 61.170 0.088 18728 16956 1 17 . 1 1 133 133 VAL CB C 133 35.526 35.526 35.513 0.013 18728 16957 1 17 . 1 1 133 133 VAL H H 133 7.272 7.272 7.446 -0.174 18728 16958 1 17 . 1 1 134 134 ILE N N 134 126.870 126.870 124.286 2.584 18728 16959 1 17 . 1 1 134 134 ILE HA H 134 4.464 4.464 4.401 0.063 18728 16960 1 17 . 1 1 134 134 ILE C C 134 174.004 174.004 175.101 -1.097 18728 16961 1 17 . 1 1 134 134 ILE CA C 134 60.904 60.904 60.324 0.580 18728 16962 1 17 . 1 1 134 134 ILE CB C 134 40.408 40.408 39.960 0.448 18728 16963 1 17 . 1 1 134 134 ILE H H 134 8.566 8.566 8.669 -0.103 18728 16964 1 17 . 1 1 135 135 GLU N N 135 128.037 128.037 128.762 -0.725 18728 16965 1 17 . 1 1 135 135 GLU HA H 135 4.642 4.642 4.650 -0.008 18728 16966 1 17 . 1 1 135 135 GLU C C 135 174.883 174.883 174.917 -0.034 18728 16967 1 17 . 1 1 135 135 GLU CA C 135 54.640 54.640 55.473 -0.833 18728 16968 1 17 . 1 1 135 135 GLU CB C 135 33.259 33.259 30.579 2.680 18728 16969 1 17 . 1 1 135 135 GLU H H 135 9.019 9.019 8.920 0.099 18728 16970 1 17 . 1 1 136 136 ILE N N 136 126.668 126.668 126.115 0.553 18728 16971 1 17 . 1 1 136 136 ILE HA H 136 3.898 3.898 4.379 -0.481 18728 16972 1 17 . 1 1 136 136 ILE C C 136 176.157 176.157 175.433 0.724 18728 16973 1 17 . 1 1 136 136 ILE CA C 136 61.336 61.336 59.774 1.562 18728 16974 1 17 . 1 1 136 136 ILE CB C 136 37.397 37.397 37.718 -0.321 18728 16975 1 17 . 1 1 136 136 ILE H H 136 8.967 8.967 8.550 0.417 18728 16976 1 17 . 1 1 137 137 MET N N 137 126.115 126.115 128.794 -2.679 18728 16977 1 17 . 1 1 137 137 MET HA H 137 4.679 4.679 4.844 -0.165 18728 16978 1 17 . 1 1 137 137 MET C C 137 176.723 176.723 175.398 1.325 18728 16979 1 17 . 1 1 137 137 MET CA C 137 55.163 55.163 53.248 1.915 18728 16980 1 17 . 1 1 137 137 MET CB C 137 30.841 30.841 31.870 -1.030 18728 16981 1 17 . 1 1 137 137 MET H H 137 7.656 7.656 8.570 -0.914 18728 16982 1 17 . 1 1 138 138 THR N N 138 116.735 116.735 115.664 1.071 18728 16983 1 17 . 1 1 138 138 THR HA H 138 4.746 4.746 4.866 -0.120 18728 16984 1 17 . 1 1 138 138 THR C C 138 173.642 173.642 173.139 0.503 18728 16985 1 17 . 1 1 138 138 THR CA C 138 60.385 60.385 60.132 0.253 18728 16986 1 17 . 1 1 138 138 THR CB C 138 72.028 72.028 72.007 0.021 18728 16987 1 17 . 1 1 138 138 THR H H 138 8.551 8.551 8.622 -0.071 18728 16988 1 17 . 1 1 139 139 ASP N N 139 123.899 123.899 120.909 2.990 18728 16989 1 17 . 1 1 139 139 ASP HA H 139 4.677 4.677 4.888 -0.211 18728 16990 1 17 . 1 1 139 139 ASP CA C 139 53.728 53.728 52.673 1.054 18728 16991 1 17 . 1 1 139 139 ASP CB C 139 42.270 42.270 43.199 -0.929 18728 16992 1 17 . 1 1 139 139 ASP H H 139 8.818 8.818 8.854 -0.036 18728 16993 1 17 . 1 1 140 140 ARG HA H 140 4.037 4.037 4.330 -0.293 18728 16994 1 17 . 1 1 140 140 ARG C C 140 177.886 177.886 177.101 0.785 18728 16995 1 17 . 1 1 140 140 ARG CB C 140 29.886 29.886 29.433 0.453 18728 16996 1 17 . 1 1 141 141 GLY N N 141 107.951 107.951 108.582 -0.631 18728 16997 1 17 . 1 1 141 141 GLY C C 141 174.861 174.861 175.572 -0.711 18728 16998 1 17 . 1 1 141 141 GLY CA C 141 46.490 46.490 46.070 0.420 18728 16999 1 17 . 1 1 141 141 GLY H H 141 8.635 8.635 8.143 0.492 18728 17000 1 17 . 1 1 142 142 SER N N 142 114.044 114.044 115.622 -1.578 18728 17001 1 17 . 1 1 142 142 SER HA H 142 4.533 4.533 4.601 -0.068 18728 17002 1 17 . 1 1 142 142 SER C C 142 176.080 176.080 174.742 1.338 18728 17003 1 17 . 1 1 142 142 SER CA C 142 58.429 58.429 58.102 0.327 18728 17004 1 17 . 1 1 142 142 SER CB C 142 65.439 65.439 64.553 0.886 18728 17005 1 17 . 1 1 142 142 SER H H 142 8.034 8.034 8.761 -0.727 18728 17006 1 17 . 1 1 143 143 GLY N N 143 112.348 112.348 108.407 3.941 18728 17007 1 17 . 1 1 143 143 GLY C C 143 173.949 173.949 174.179 -0.230 18728 17008 1 17 . 1 1 143 143 GLY CA C 143 45.703 45.703 45.639 0.063 18728 17009 1 17 . 1 1 143 143 GLY H H 143 8.363 8.363 7.721 0.642 18728 17010 1 17 . 1 1 144 144 LYS N N 144 119.966 119.966 118.679 1.287 18728 17011 1 17 . 1 1 144 144 LYS HA H 144 4.273 4.273 4.694 -0.421 18728 17012 1 17 . 1 1 144 144 LYS C C 144 176.969 176.969 175.807 1.162 18728 17013 1 17 . 1 1 144 144 LYS CA C 144 56.145 56.145 53.711 2.434 18728 17014 1 17 . 1 1 144 144 LYS CB C 144 33.378 33.378 34.060 -0.682 18728 17015 1 17 . 1 1 144 144 LYS H H 144 7.786 7.786 7.851 -0.066 18728 17016 1 17 . 1 1 145 145 LYS N N 145 123.668 123.668 119.764 3.904 18728 17017 1 17 . 1 1 145 145 LYS HA H 145 4.187 4.187 4.488 -0.301 18728 17018 1 17 . 1 1 145 145 LYS C C 145 177.498 177.498 177.093 0.405 18728 17019 1 17 . 1 1 145 145 LYS CA C 145 57.392 57.392 56.105 1.287 18728 17020 1 17 . 1 1 145 145 LYS CB C 145 32.577 32.577 32.276 0.301 18728 17021 1 17 . 1 1 145 145 LYS H H 145 8.968 8.968 8.284 0.684 18728 17022 1 17 . 1 1 146 146 ARG N N 146 119.700 119.700 123.176 -3.476 18728 17023 1 17 . 1 1 146 146 ARG HA H 146 4.294 4.294 4.085 0.209 18728 17024 1 17 . 1 1 146 146 ARG CA C 146 56.365 56.365 55.585 0.780 18728 17025 1 17 . 1 1 146 146 ARG CB C 146 30.786 30.786 29.870 0.916 18728 17026 1 17 . 1 1 146 146 ARG H H 146 8.095 8.095 8.530 -0.435 18728 17027 1 17 . 1 1 147 147 GLY N N 147 110.572 110.572 104.677 5.895 18728 17028 1 17 . 1 1 147 147 GLY C C 147 173.384 173.384 172.894 0.490 18728 17029 1 17 . 1 1 147 147 GLY CA C 147 45.440 45.440 44.852 0.588 18728 17030 1 17 . 1 1 147 147 GLY H H 147 8.401 8.401 8.515 -0.114 18728 17031 1 17 . 1 1 148 148 PHE N N 148 114.199 114.199 114.368 -0.169 18728 17032 1 17 . 1 1 148 148 PHE HA H 148 5.194 5.194 5.471 -0.277 18728 17033 1 17 . 1 1 148 148 PHE C C 148 172.409 172.409 172.819 -0.410 18728 17034 1 17 . 1 1 148 148 PHE CA C 148 55.282 55.282 54.861 0.421 18728 17035 1 17 . 1 1 148 148 PHE CB C 148 41.869 41.869 40.985 0.884 18728 17036 1 17 . 1 1 148 148 PHE H H 148 7.255 7.255 6.894 0.361 18728 17037 1 17 . 1 1 149 149 ALA N N 149 121.427 121.427 120.306 1.121 18728 17038 1 17 . 1 1 149 149 ALA HA H 149 4.966 4.966 4.892 0.074 18728 17039 1 17 . 1 1 149 149 ALA C C 149 174.084 174.084 174.573 -0.489 18728 17040 1 17 . 1 1 149 149 ALA CA C 149 49.755 49.755 50.434 -0.679 18728 17041 1 17 . 1 1 149 149 ALA CB C 149 25.094 25.094 22.680 2.414 18728 17042 1 17 . 1 1 149 149 ALA H H 149 8.786 8.786 8.807 -0.021 18728 17043 1 17 . 1 1 150 150 PHE N N 150 114.425 114.425 116.292 -1.867 18728 17044 1 17 . 1 1 150 150 PHE HA H 150 5.874 5.874 5.580 0.294 18728 17045 1 17 . 1 1 150 150 PHE C C 150 176.196 176.196 174.568 1.628 18728 17046 1 17 . 1 1 150 150 PHE CA C 150 56.070 56.070 56.705 -0.635 18728 17047 1 17 . 1 1 150 150 PHE CB C 150 43.251 43.251 44.134 -0.883 18728 17048 1 17 . 1 1 150 150 PHE H H 150 8.689 8.689 9.134 -0.445 18728 17049 1 17 . 1 1 151 151 VAL N N 151 122.489 122.489 121.604 0.885 18728 17050 1 17 . 1 1 151 151 VAL HA H 151 4.375 4.375 4.450 -0.075 18728 17051 1 17 . 1 1 151 151 VAL C C 151 173.932 173.932 175.036 -1.104 18728 17052 1 17 . 1 1 151 151 VAL CA C 151 61.454 61.454 61.061 0.393 18728 17053 1 17 . 1 1 151 151 VAL CB C 151 33.869 33.869 34.534 -0.665 18728 17054 1 17 . 1 1 151 151 VAL H H 151 8.559 8.559 8.811 -0.252 18728 17055 1 17 . 1 1 152 152 THR N N 152 123.112 123.112 123.529 -0.417 18728 17056 1 17 . 1 1 152 152 THR HA H 152 4.995 4.995 4.763 0.232 18728 17057 1 17 . 1 1 152 152 THR C C 152 174.047 174.047 173.575 0.472 18728 17058 1 17 . 1 1 152 152 THR CA C 152 61.931 61.931 62.278 -0.347 18728 17059 1 17 . 1 1 152 152 THR CB C 152 69.689 69.689 69.227 0.462 18728 17060 1 17 . 1 1 152 152 THR H H 152 8.723 8.723 8.747 -0.024 18728 17061 1 17 . 1 1 153 153 PHE N N 153 127.746 127.746 126.520 1.226 18728 17062 1 17 . 1 1 153 153 PHE HA H 153 4.840 4.840 4.606 0.234 18728 17063 1 17 . 1 1 153 153 PHE C C 153 174.720 174.720 175.172 -0.452 18728 17064 1 17 . 1 1 153 153 PHE CA C 153 58.098 58.098 58.346 -0.248 18728 17065 1 17 . 1 1 153 153 PHE CB C 153 41.706 41.706 41.710 -0.004 18728 17066 1 17 . 1 1 153 153 PHE H H 153 9.368 9.368 9.148 0.220 18728 17067 1 17 . 1 1 154 154 ASP N N 154 118.371 118.371 120.531 -2.160 18728 17068 1 17 . 1 1 154 154 ASP HA H 154 4.486 4.486 4.721 -0.235 18728 17069 1 17 . 1 1 154 154 ASP C C 154 175.668 175.668 175.442 0.226 18728 17070 1 17 . 1 1 154 154 ASP CA C 154 56.114 56.114 56.590 -0.476 18728 17071 1 17 . 1 1 154 154 ASP CB C 154 42.576 42.576 42.590 -0.014 18728 17072 1 17 . 1 1 154 154 ASP H H 154 8.196 8.196 9.046 -0.850 18728 17073 1 17 . 1 1 155 155 ASP N N 155 117.144 117.144 116.375 0.769 18728 17074 1 17 . 1 1 155 155 ASP HA H 155 4.909 4.909 4.892 0.017 18728 17075 1 17 . 1 1 155 155 ASP C C 155 176.392 176.392 176.134 0.258 18728 17076 1 17 . 1 1 155 155 ASP CA C 155 52.615 52.615 52.678 -0.063 18728 17077 1 17 . 1 1 155 155 ASP CB C 155 44.471 44.471 44.439 0.032 18728 17078 1 17 . 1 1 155 155 ASP H H 155 8.323 8.323 7.758 0.565 18728 17079 1 17 . 1 1 156 156 HIS N N 156 121.508 121.508 120.036 1.472 18728 17080 1 17 . 1 1 156 156 HIS HA H 156 4.336 4.336 4.561 -0.225 18728 17081 1 17 . 1 1 156 156 HIS C C 156 176.855 176.855 176.499 0.356 18728 17082 1 17 . 1 1 156 156 HIS CA C 156 58.593 58.593 57.191 1.402 18728 17083 1 17 . 1 1 156 156 HIS CB C 156 29.703 29.703 29.782 -0.080 18728 17084 1 17 . 1 1 156 156 HIS H H 156 8.492 8.492 8.493 -0.001 18728 17085 1 17 . 1 1 157 157 ASP N N 157 122.539 122.539 120.525 2.014 18728 17086 1 17 . 1 1 157 157 ASP HA H 157 4.254 4.254 4.286 -0.032 18728 17087 1 17 . 1 1 157 157 ASP C C 157 178.233 178.233 178.152 0.081 18728 17088 1 17 . 1 1 157 157 ASP CA C 157 57.047 57.047 57.968 -0.921 18728 17089 1 17 . 1 1 157 157 ASP CB C 157 40.875 40.875 40.460 0.415 18728 17090 1 17 . 1 1 157 157 ASP H H 157 8.345 8.345 8.465 -0.120 18728 17091 1 17 . 1 1 158 158 SER N N 158 113.623 113.623 114.908 -1.285 18728 17092 1 17 . 1 1 158 158 SER HA H 158 3.899 3.899 4.169 -0.270 18728 17093 1 17 . 1 1 158 158 SER C C 158 174.750 174.750 176.220 -1.470 18728 17094 1 17 . 1 1 158 158 SER CA C 158 61.914 61.914 61.068 0.846 18728 17095 1 17 . 1 1 158 158 SER CB C 158 63.088 63.088 62.474 0.614 18728 17096 1 17 . 1 1 158 158 SER H H 158 7.424 7.424 7.847 -0.423 18728 17097 1 17 . 1 1 159 159 VAL N N 159 118.448 118.448 122.902 -4.454 18728 17098 1 17 . 1 1 159 159 VAL HA H 159 2.913 2.913 3.273 -0.360 18728 17099 1 17 . 1 1 159 159 VAL C C 159 177.269 177.269 177.174 0.095 18728 17100 1 17 . 1 1 159 159 VAL CA C 159 66.512 66.512 66.174 0.338 18728 17101 1 17 . 1 1 159 159 VAL CB C 159 31.395 31.395 31.551 -0.156 18728 17102 1 17 . 1 1 159 159 VAL H H 159 6.484 6.484 6.909 -0.425 18728 17103 1 17 . 1 1 160 160 ASP N N 160 119.064 119.064 119.139 -0.075 18728 17104 1 17 . 1 1 160 160 ASP HA H 160 4.275 4.275 4.374 -0.099 18728 17105 1 17 . 1 1 160 160 ASP C C 160 178.284 178.284 178.500 -0.216 18728 17106 1 17 . 1 1 160 160 ASP CA C 160 57.798 57.798 57.411 0.387 18728 17107 1 17 . 1 1 160 160 ASP CB C 160 40.288 40.288 40.719 -0.432 18728 17108 1 17 . 1 1 160 160 ASP H H 160 7.663 7.663 8.475 -0.812 18728 17109 1 17 . 1 1 161 161 LYS N N 161 116.568 116.568 118.954 -2.386 18728 17110 1 17 . 1 1 161 161 LYS HA H 161 4.030 4.030 4.123 -0.093 18728 17111 1 17 . 1 1 161 161 LYS C C 161 178.205 178.205 178.300 -0.095 18728 17112 1 17 . 1 1 161 161 LYS CA C 161 58.796 58.796 59.197 -0.401 18728 17113 1 17 . 1 1 161 161 LYS CB C 161 33.298 33.298 32.598 0.700 18728 17114 1 17 . 1 1 161 161 LYS H H 161 7.465 7.465 7.512 -0.047 18728 17115 1 17 . 1 1 162 162 ILE N N 162 119.457 119.457 118.012 1.445 18728 17116 1 17 . 1 1 162 162 ILE HA H 162 3.241 3.241 3.660 -0.419 18728 17117 1 17 . 1 1 162 162 ILE C C 162 179.129 179.129 177.950 1.179 18728 17118 1 17 . 1 1 162 162 ILE CA C 162 65.201 65.201 64.414 0.787 18728 17119 1 17 . 1 1 162 162 ILE CB C 162 39.170 39.170 38.176 0.994 18728 17120 1 17 . 1 1 162 162 ILE H H 162 7.367 7.367 7.046 0.321 18728 17121 1 17 . 1 1 163 163 VAL N N 163 109.705 109.705 116.368 -6.663 18728 17122 1 17 . 1 1 163 163 VAL HA H 163 4.093 4.093 3.980 0.113 18728 17123 1 17 . 1 1 163 163 VAL C C 163 176.685 176.685 176.716 -0.031 18728 17124 1 17 . 1 1 163 163 VAL CA C 163 64.137 64.137 64.910 -0.773 18728 17125 1 17 . 1 1 163 163 VAL CB C 163 30.720 30.720 31.548 -0.828 18728 17126 1 17 . 1 1 163 163 VAL H H 163 7.814 7.814 7.843 -0.029 18728 17127 1 17 . 1 1 164 164 ILE N N 164 118.885 118.885 118.509 0.376 18728 17128 1 17 . 1 1 164 164 ILE HA H 164 3.968 3.968 3.877 0.091 18728 17129 1 17 . 1 1 164 164 ILE C C 164 176.006 176.006 175.902 0.104 18728 17130 1 17 . 1 1 164 164 ILE CA C 164 63.328 63.328 63.396 -0.068 18728 17131 1 17 . 1 1 164 164 ILE CB C 164 38.136 38.136 38.291 -0.155 18728 17132 1 17 . 1 1 164 164 ILE H H 164 6.979 6.979 7.382 -0.403 18728 17133 1 17 . 1 1 165 165 GLN N N 165 120.509 120.509 118.290 2.219 18728 17134 1 17 . 1 1 165 165 GLN HA H 165 4.472 4.472 4.449 0.023 18728 17135 1 17 . 1 1 165 165 GLN C C 165 174.808 174.808 174.790 0.018 18728 17136 1 17 . 1 1 165 165 GLN CA C 165 54.743 54.743 54.474 0.269 18728 17137 1 17 . 1 1 165 165 GLN CB C 165 30.183 30.183 28.711 1.472 18728 17138 1 17 . 1 1 165 165 GLN H H 165 7.490 7.490 7.751 -0.261 18728 17139 1 17 . 1 1 166 166 LYS N N 166 122.953 122.953 123.532 -0.579 18728 17140 1 17 . 1 1 166 166 LYS HA H 166 3.992 3.992 4.084 -0.092 18728 17141 1 17 . 1 1 166 166 LYS C C 166 175.496 175.496 175.669 -0.173 18728 17142 1 17 . 1 1 166 166 LYS CA C 166 59.718 59.718 58.987 0.731 18728 17143 1 17 . 1 1 166 166 LYS CB C 166 33.115 33.115 33.009 0.106 18728 17144 1 17 . 1 1 166 166 LYS H H 166 8.085 8.085 8.647 -0.562 18728 17145 1 17 . 1 1 167 167 TYR N N 167 114.210 114.210 114.764 -0.554 18728 17146 1 17 . 1 1 167 167 TYR HA H 167 5.457 5.457 5.325 0.132 18728 17147 1 17 . 1 1 167 167 TYR C C 167 175.593 175.593 175.693 -0.100 18728 17148 1 17 . 1 1 167 167 TYR CA C 167 56.417 56.417 56.948 -0.531 18728 17149 1 17 . 1 1 167 167 TYR CB C 167 40.057 40.057 40.867 -0.810 18728 17150 1 17 . 1 1 167 167 TYR H H 167 7.740 7.740 7.630 0.110 18728 17151 1 17 . 1 1 168 168 HIS N N 168 122.617 122.617 122.557 0.060 18728 17152 1 17 . 1 1 168 168 HIS HA H 168 4.526 4.526 5.094 -0.568 18728 17153 1 17 . 1 1 168 168 HIS C C 168 174.213 174.213 173.947 0.266 18728 17154 1 17 . 1 1 168 168 HIS CA C 168 55.233 55.233 55.193 0.040 18728 17155 1 17 . 1 1 168 168 HIS CB C 168 34.906 34.906 34.525 0.381 18728 17156 1 17 . 1 1 168 168 HIS H H 168 9.035 9.035 9.435 -0.400 18728 17157 1 17 . 1 1 169 169 THR N N 169 121.981 121.981 118.535 3.446 18728 17158 1 17 . 1 1 169 169 THR HA H 169 4.722 4.722 5.094 -0.372 18728 17159 1 17 . 1 1 169 169 THR C C 169 172.973 172.973 172.985 -0.012 18728 17160 1 17 . 1 1 169 169 THR CA C 169 61.620 61.620 61.529 0.091 18728 17161 1 17 . 1 1 169 169 THR CB C 169 68.692 68.692 69.792 -1.100 18728 17162 1 17 . 1 1 169 169 THR H H 169 8.784 8.784 8.842 -0.058 18728 17163 1 17 . 1 1 170 170 VAL N N 170 125.540 125.540 125.981 -0.441 18728 17164 1 17 . 1 1 170 170 VAL HA H 170 3.751 3.751 4.117 -0.366 18728 17165 1 17 . 1 1 170 170 VAL C C 170 175.997 175.997 174.686 1.311 18728 17166 1 17 . 1 1 170 170 VAL CA C 170 60.770 60.770 60.492 0.278 18728 17167 1 17 . 1 1 170 170 VAL CB C 170 34.216 34.216 32.954 1.262 18728 17168 1 17 . 1 1 170 170 VAL H H 170 8.268 8.268 8.852 -0.584 18728 17169 1 17 . 1 1 171 171 ASN N N 171 126.811 126.811 127.645 -0.834 18728 17170 1 17 . 1 1 171 171 ASN HA H 171 4.065 4.065 4.389 -0.324 18728 17171 1 17 . 1 1 171 171 ASN C C 171 174.266 174.266 174.992 -0.726 18728 17172 1 17 . 1 1 171 171 ASN CA C 171 53.184 53.184 53.646 -0.462 18728 17173 1 17 . 1 1 171 171 ASN CB C 171 37.436 37.436 37.259 0.177 18728 17174 1 17 . 1 1 171 171 ASN H H 171 9.437 9.437 9.162 0.275 18728 17175 1 17 . 1 1 172 172 GLY N N 172 100.629 100.629 102.271 -1.642 18728 17176 1 17 . 1 1 172 172 GLY C C 172 173.335 173.335 173.605 -0.270 18728 17177 1 17 . 1 1 172 172 GLY CA C 172 45.154 45.154 45.022 0.132 18728 17178 1 17 . 1 1 172 172 GLY H H 172 8.194 8.194 8.212 -0.018 18728 17179 1 17 . 1 1 173 173 HIS N N 173 119.555 119.555 120.936 -1.381 18728 17180 1 17 . 1 1 173 173 HIS HA H 173 4.860 4.860 4.686 0.174 18728 17181 1 17 . 1 1 173 173 HIS CA C 173 53.723 53.723 55.366 -1.643 18728 17182 1 17 . 1 1 173 173 HIS CB C 173 31.589 31.589 31.318 0.271 18728 17183 1 17 . 1 1 173 173 HIS H H 173 7.657 7.657 7.661 -0.004 18728 17184 1 17 . 1 1 174 174 ASN N N 174 122.936 122.936 124.572 -1.636 18728 17185 1 17 . 1 1 174 174 ASN HA H 174 4.794 4.794 5.389 -0.595 18728 17186 1 17 . 1 1 174 174 ASN C C 174 174.918 174.918 175.100 -0.182 18728 17187 1 17 . 1 1 174 174 ASN CA C 174 53.748 53.748 52.594 1.154 18728 17188 1 17 . 1 1 174 174 ASN CB C 174 38.185 38.185 39.122 -0.937 18728 17189 1 17 . 1 1 174 174 ASN H H 174 8.828 8.828 8.786 0.042 18728 17190 1 17 . 1 1 175 175 CYS N N 175 126.425 126.425 124.102 2.323 18728 17191 1 17 . 1 1 175 175 CYS HA H 175 4.872 4.872 4.905 -0.033 18728 17192 1 17 . 1 1 175 175 CYS C C 175 173.853 173.853 173.393 0.460 18728 17193 1 17 . 1 1 175 175 CYS CA C 175 59.380 59.380 55.780 3.600 18728 17194 1 17 . 1 1 175 175 CYS CB C 175 29.966 29.966 31.465 -1.499 18728 17195 1 17 . 1 1 175 175 CYS H H 175 9.078 9.078 9.084 -0.006 18728 17196 1 17 . 1 1 176 176 GLU N N 176 124.488 124.488 121.586 2.902 18728 17197 1 17 . 1 1 176 176 GLU HA H 176 4.661 4.661 4.823 -0.162 18728 17198 1 17 . 1 1 176 176 GLU C C 176 175.343 175.343 175.215 0.128 18728 17199 1 17 . 1 1 176 176 GLU CA C 176 55.296 55.296 55.710 -0.414 18728 17200 1 17 . 1 1 176 176 GLU CB C 176 31.550 31.550 31.079 0.471 18728 17201 1 17 . 1 1 176 176 GLU H H 176 8.161 8.161 9.082 -0.921 18728 17202 1 17 . 1 1 177 177 VAL N N 177 122.521 122.521 126.235 -3.714 18728 17203 1 17 . 1 1 177 177 VAL HA H 177 5.628 5.628 5.514 0.114 18728 17204 1 17 . 1 1 177 177 VAL C C 177 175.720 175.720 174.465 1.255 18728 17205 1 17 . 1 1 177 177 VAL CA C 177 59.713 59.713 60.554 -0.841 18728 17206 1 17 . 1 1 177 177 VAL CB C 177 34.523 34.523 34.725 -0.202 18728 17207 1 17 . 1 1 177 177 VAL H H 177 8.684 8.684 8.953 -0.269 18728 17208 1 17 . 1 1 178 178 ARG N N 178 119.915 119.915 123.675 -3.760 18728 17209 1 17 . 1 1 178 178 ARG HA H 178 4.746 4.746 4.693 0.053 18728 17210 1 17 . 1 1 178 178 ARG C C 178 175.689 175.689 174.450 1.239 18728 17211 1 17 . 1 1 178 178 ARG CA C 178 54.212 54.212 54.111 0.101 18728 17212 1 17 . 1 1 178 178 ARG CB C 178 34.184 34.184 33.034 1.150 18728 17213 1 17 . 1 1 178 178 ARG H H 178 8.701 8.701 8.582 0.119 18728 17214 1 17 . 1 1 179 179 LYS N N 179 121.001 121.001 121.043 -0.042 18728 17215 1 17 . 1 1 179 179 LYS HA H 179 4.098 4.098 4.263 -0.165 18728 17216 1 17 . 1 1 179 179 LYS C C 179 176.026 176.026 175.969 0.057 18728 17217 1 17 . 1 1 179 179 LYS CA C 179 59.027 59.027 57.002 2.026 18728 17218 1 17 . 1 1 179 179 LYS CB C 179 33.377 33.377 31.528 1.849 18728 17219 1 17 . 1 1 179 179 LYS H H 179 8.990 8.990 8.554 0.436 18728 17220 1 17 . 1 1 180 180 ALA N N 180 126.810 126.810 128.138 -1.328 18728 17221 1 17 . 1 1 180 180 ALA HA H 180 4.565 4.565 4.785 -0.220 18728 17222 1 17 . 1 1 180 180 ALA C C 180 175.318 175.318 175.959 -0.641 18728 17223 1 17 . 1 1 180 180 ALA CA C 180 51.432 51.432 50.652 0.780 18728 17224 1 17 . 1 1 180 180 ALA CB C 180 19.201 19.201 21.090 -1.889 18728 17225 1 17 . 1 1 180 180 ALA H H 180 8.378 8.378 8.642 -0.264 18728 17226 1 17 . 1 1 181 181 LEU N N 181 122.300 122.300 124.474 -2.174 18728 17227 1 17 . 1 1 181 181 LEU HA H 181 4.401 4.401 4.345 0.056 18728 17228 1 17 . 1 1 181 181 LEU CA C 181 54.737 54.737 54.201 0.536 18728 17229 1 17 . 1 1 181 181 LEU CB C 181 43.199 43.199 42.025 1.174 18728 17230 1 17 . 1 1 181 181 LEU H H 181 8.001 8.001 8.621 -0.620 18728 17231 1 17 . 1 1 182 182 SER HA H 182 4.406 4.406 4.282 0.124 18728 17232 1 17 . 1 1 182 182 SER CA C 182 58.100 58.100 58.246 -0.146 18728 17233 1 17 . 1 1 182 182 SER CB C 182 64.440 64.440 64.155 0.285 18728 17234 1 17 . 1 1 183 183 LYS HA H 183 4.101 4.101 4.060 0.041 18728 17235 1 17 . 1 1 183 183 LYS C C 183 177.343 177.343 178.770 -1.427 18728 17236 1 17 . 1 1 183 183 LYS CA C 183 57.744 57.744 59.013 -1.269 18728 17237 1 17 . 1 1 183 183 LYS CB C 183 32.586 32.586 31.893 0.693 18728 17238 1 17 . 1 1 184 184 GLN N N 184 120.056 120.056 119.018 1.038 18728 17239 1 17 . 1 1 184 184 GLN HA H 184 4.167 4.167 4.145 0.022 18728 17240 1 17 . 1 1 184 184 GLN C C 184 176.718 176.718 178.218 -1.500 18728 17241 1 17 . 1 1 184 184 GLN CA C 184 56.981 56.981 58.943 -1.962 18728 17242 1 17 . 1 1 184 184 GLN CB C 184 28.990 28.990 28.006 0.984 18728 17243 1 17 . 1 1 184 184 GLN H H 184 8.320 8.320 8.664 -0.344 18728 17244 1 17 . 1 1 185 185 GLU N N 185 121.610 121.610 119.944 1.666 18728 17245 1 17 . 1 1 185 185 GLU HA H 185 4.132 4.132 4.154 -0.022 18728 17246 1 17 . 1 1 185 185 GLU C C 185 177.117 177.117 178.932 -1.815 18728 17247 1 17 . 1 1 185 185 GLU CA C 185 57.234 57.234 58.827 -1.593 18728 17248 1 17 . 1 1 185 185 GLU CB C 185 30.235 30.235 28.773 1.462 18728 17249 1 17 . 1 1 185 185 GLU H H 185 8.143 8.143 8.464 -0.321 18728 17250 1 17 . 1 1 186 186 MET N N 186 120.092 120.092 118.564 1.528 18728 17251 1 17 . 1 1 186 186 MET HA H 186 4.289 4.289 4.159 0.130 18728 17252 1 17 . 1 1 186 186 MET C C 186 176.438 176.438 178.459 -2.021 18728 17253 1 17 . 1 1 186 186 MET CA C 186 56.069 56.069 58.956 -2.887 18728 17254 1 17 . 1 1 186 186 MET CB C 186 32.847 32.847 32.618 0.229 18728 17255 1 17 . 1 1 186 186 MET H H 186 8.195 8.195 8.441 -0.246 18728 17256 1 17 . 1 1 187 187 ALA N N 187 124.104 124.104 120.071 4.033 18728 17257 1 17 . 1 1 187 187 ALA HA H 187 4.297 4.297 4.239 0.058 18728 17258 1 17 . 1 1 187 187 ALA C C 187 178.107 178.107 177.705 0.402 18728 17259 1 17 . 1 1 187 187 ALA CA C 187 52.912 52.912 53.267 -0.355 18728 17260 1 17 . 1 1 187 187 ALA CB C 187 19.060 19.060 19.306 -0.246 18728 17261 1 17 . 1 1 187 187 ALA H H 187 8.060 8.060 7.890 0.170 18728 17262 1 17 . 1 1 188 188 SER N N 188 114.374 114.374 110.803 3.571 18728 17263 1 17 . 1 1 188 188 SER HA H 188 4.357 4.357 4.054 0.303 18728 17264 1 17 . 1 1 188 188 SER C C 188 174.757 174.757 173.739 1.018 18728 17265 1 17 . 1 1 188 188 SER CA C 188 58.598 58.598 59.058 -0.460 18728 17266 1 17 . 1 1 188 188 SER CB C 188 63.734 63.734 61.328 2.406 18728 17267 1 17 . 1 1 188 188 SER H H 188 8.173 8.173 7.863 0.310 18728 17268 1 17 . 1 1 189 189 ALA N N 189 125.637 125.637 120.580 5.057 18728 17269 1 17 . 1 1 189 189 ALA HA H 189 4.246 4.246 4.530 -0.284 18728 17270 1 17 . 1 1 189 189 ALA CA C 189 53.015 53.015 51.876 1.139 18728 17271 1 17 . 1 1 189 189 ALA CB C 189 19.069 19.069 21.345 -2.276 18728 17272 1 17 . 1 1 189 189 ALA H H 189 8.207 8.207 7.465 0.742 18728 17273 1 18 . 1 1 5 5 GLU N N 5 122.509 122.509 126.161 -3.652 18728 17274 1 18 . 1 1 5 5 GLU HA H 5 4.345 4.345 4.403 -0.058 18728 17275 1 18 . 1 1 5 5 GLU C C 5 176.240 176.240 175.612 0.628 18728 17276 1 18 . 1 1 5 5 GLU CA C 5 56.190 56.190 55.083 1.107 18728 17277 1 18 . 1 1 5 5 GLU CB C 5 30.611 30.611 28.310 2.301 18728 17278 1 18 . 1 1 5 5 GLU H H 5 8.321 8.321 7.863 0.458 18728 17279 1 18 . 1 1 6 6 SER N N 6 118.728 118.728 120.048 -1.320 18728 17280 1 18 . 1 1 6 6 SER HA H 6 4.342 4.342 4.594 -0.252 18728 17281 1 18 . 1 1 6 6 SER CA C 6 56.305 56.305 56.673 -0.368 18728 17282 1 18 . 1 1 6 6 SER CB C 6 63.241 63.241 63.433 -0.192 18728 17283 1 18 . 1 1 6 6 SER H H 6 8.349 8.349 7.731 0.618 18728 17284 1 18 . 1 1 7 7 PRO HA H 7 4.427 4.427 4.606 -0.179 18728 17285 1 18 . 1 1 7 7 PRO C C 7 177.027 177.027 176.418 0.609 18728 17286 1 18 . 1 1 7 7 PRO CA C 7 63.271 63.271 62.337 0.934 18728 17287 1 18 . 1 1 7 7 PRO CB C 7 32.111 32.111 32.602 -0.491 18728 17288 1 18 . 1 1 8 8 LYS N N 8 121.819 121.819 117.155 4.664 18728 17289 1 18 . 1 1 8 8 LYS HA H 8 4.290 4.290 4.181 0.109 18728 17290 1 18 . 1 1 8 8 LYS C C 8 177.015 177.015 176.475 0.540 18728 17291 1 18 . 1 1 8 8 LYS CA C 8 56.455 56.455 57.323 -0.868 18728 17292 1 18 . 1 1 8 8 LYS CB C 8 33.341 33.341 32.287 1.054 18728 17293 1 18 . 1 1 8 8 LYS H H 8 8.445 8.445 8.392 0.053 18728 17294 1 18 . 1 1 9 9 GLU N N 9 121.243 121.243 122.236 -0.993 18728 17295 1 18 . 1 1 9 9 GLU HA H 9 4.606 4.606 4.466 0.140 18728 17296 1 18 . 1 1 9 9 GLU CA C 9 54.480 54.480 54.277 0.203 18728 17297 1 18 . 1 1 9 9 GLU CB C 9 29.572 29.572 29.153 0.419 18728 17298 1 18 . 1 1 9 9 GLU H H 9 8.313 8.313 8.136 0.177 18728 17299 1 18 . 1 1 10 10 PRO HA H 10 4.335 4.335 4.442 -0.107 18728 17300 1 18 . 1 1 10 10 PRO C C 10 177.491 177.491 177.811 -0.320 18728 17301 1 18 . 1 1 10 10 PRO CA C 10 63.587 63.587 62.482 1.105 18728 17302 1 18 . 1 1 10 10 PRO CB C 10 32.374 32.374 32.788 -0.414 18728 17303 1 18 . 1 1 11 11 GLU N N 11 123.071 123.071 120.705 2.366 18728 17304 1 18 . 1 1 11 11 GLU HA H 11 3.686 3.686 3.891 -0.205 18728 17305 1 18 . 1 1 11 11 GLU C C 11 177.984 177.984 178.038 -0.054 18728 17306 1 18 . 1 1 11 11 GLU CA C 11 59.651 59.651 59.606 0.045 18728 17307 1 18 . 1 1 11 11 GLU CB C 11 29.819 29.819 28.921 0.898 18728 17308 1 18 . 1 1 11 11 GLU H H 11 8.692 8.692 8.794 -0.102 18728 17309 1 18 . 1 1 12 12 GLN N N 12 116.079 116.079 115.461 0.618 18728 17310 1 18 . 1 1 12 12 GLN HA H 12 3.979 3.979 4.179 -0.200 18728 17311 1 18 . 1 1 12 12 GLN C C 12 177.579 177.579 176.838 0.741 18728 17312 1 18 . 1 1 12 12 GLN CA C 12 58.526 58.526 58.116 0.410 18728 17313 1 18 . 1 1 12 12 GLN CB C 12 28.112 28.112 28.290 -0.177 18728 17314 1 18 . 1 1 12 12 GLN H H 12 8.647 8.647 8.337 0.310 18728 17315 1 18 . 1 1 13 13 LEU N N 13 116.530 116.530 118.084 -1.554 18728 17316 1 18 . 1 1 13 13 LEU HA H 13 4.264 4.264 4.383 -0.119 18728 17317 1 18 . 1 1 13 13 LEU C C 13 177.080 177.080 176.667 0.413 18728 17318 1 18 . 1 1 13 13 LEU CA C 13 55.945 55.945 55.818 0.127 18728 17319 1 18 . 1 1 13 13 LEU CB C 13 42.317 42.317 42.611 -0.294 18728 17320 1 18 . 1 1 13 13 LEU H H 13 7.471 7.471 7.708 -0.237 18728 17321 1 18 . 1 1 14 14 ARG N N 14 116.981 116.981 113.420 3.561 18728 17322 1 18 . 1 1 14 14 ARG HA H 14 4.417 4.417 4.501 -0.084 18728 17323 1 18 . 1 1 14 14 ARG C C 14 172.996 172.996 175.934 -2.938 18728 17324 1 18 . 1 1 14 14 ARG CA C 14 56.067 56.067 55.776 0.291 18728 17325 1 18 . 1 1 14 14 ARG CB C 14 29.944 29.944 31.332 -1.389 18728 17326 1 18 . 1 1 14 14 ARG H H 14 7.576 7.576 7.641 -0.065 18728 17327 1 18 . 1 1 15 15 LYS N N 15 119.990 119.990 122.206 -2.216 18728 17328 1 18 . 1 1 15 15 LYS HA H 15 5.198 5.198 5.094 0.104 18728 17329 1 18 . 1 1 15 15 LYS CA C 15 55.301 55.301 55.441 -0.140 18728 17330 1 18 . 1 1 15 15 LYS CB C 15 35.888 35.888 35.264 0.624 18728 17331 1 18 . 1 1 15 15 LYS H H 15 6.946 6.946 7.897 -0.951 18728 17332 1 18 . 1 1 16 16 LEU N N 16 126.081 126.081 124.086 1.995 18728 17333 1 18 . 1 1 16 16 LEU HA H 16 5.016 5.016 5.149 -0.133 18728 17334 1 18 . 1 1 16 16 LEU C C 16 176.309 176.309 175.518 0.791 18728 17335 1 18 . 1 1 16 16 LEU CA C 16 53.334 53.334 53.190 0.144 18728 17336 1 18 . 1 1 16 16 LEU CB C 16 45.062 45.062 45.827 -0.765 18728 17337 1 18 . 1 1 16 16 LEU H H 16 9.605 9.605 9.084 0.521 18728 17338 1 18 . 1 1 17 17 PHE N N 17 123.569 123.569 124.377 -0.808 18728 17339 1 18 . 1 1 17 17 PHE HA H 17 4.585 4.585 5.162 -0.577 18728 17340 1 18 . 1 1 17 17 PHE C C 17 174.362 174.362 173.860 0.502 18728 17341 1 18 . 1 1 17 17 PHE CA C 17 57.153 57.153 56.028 1.125 18728 17342 1 18 . 1 1 17 17 PHE CB C 17 40.603 40.603 41.440 -0.837 18728 17343 1 18 . 1 1 17 17 PHE H H 17 9.023 9.023 9.281 -0.258 18728 17344 1 18 . 1 1 18 18 ILE N N 18 126.932 126.932 127.729 -0.797 18728 17345 1 18 . 1 1 18 18 ILE HA H 18 4.029 4.029 4.310 -0.281 18728 17346 1 18 . 1 1 18 18 ILE C C 18 173.832 173.832 174.794 -0.962 18728 17347 1 18 . 1 1 18 18 ILE CA C 18 59.156 59.156 57.854 1.302 18728 17348 1 18 . 1 1 18 18 ILE CB C 18 36.909 36.909 37.023 -0.113 18728 17349 1 18 . 1 1 18 18 ILE H H 18 8.486 8.486 8.520 -0.034 18728 17350 1 18 . 1 1 19 19 GLY N N 19 112.953 112.953 112.514 0.439 18728 17351 1 18 . 1 1 19 19 GLY C C 19 174.426 174.426 173.764 0.662 18728 17352 1 18 . 1 1 19 19 GLY CA C 19 43.611 43.611 43.109 0.502 18728 17353 1 18 . 1 1 19 19 GLY H H 19 7.948 7.948 8.676 -0.728 18728 17354 1 18 . 1 1 20 20 GLY N N 20 107.584 107.584 110.914 -3.330 18728 17355 1 18 . 1 1 20 20 GLY C C 20 175.563 175.563 174.244 1.319 18728 17356 1 18 . 1 1 20 20 GLY CA C 20 46.530 46.530 45.057 1.473 18728 17357 1 18 . 1 1 20 20 GLY H H 20 8.542 8.542 8.083 0.459 18728 17358 1 18 . 1 1 21 21 LEU N N 21 115.232 115.232 119.617 -4.385 18728 17359 1 18 . 1 1 21 21 LEU HA H 21 4.025 4.025 4.264 -0.239 18728 17360 1 18 . 1 1 21 21 LEU C C 21 179.121 179.121 176.439 2.682 18728 17361 1 18 . 1 1 21 21 LEU CA C 21 54.192 54.192 53.966 0.226 18728 17362 1 18 . 1 1 21 21 LEU CB C 21 42.892 42.892 42.803 0.089 18728 17363 1 18 . 1 1 21 21 LEU H H 21 7.472 7.472 7.936 -0.464 18728 17364 1 18 . 1 1 22 22 SER N N 22 114.737 114.737 113.994 0.743 18728 17365 1 18 . 1 1 22 22 SER HA H 22 4.125 4.125 4.368 -0.243 18728 17366 1 18 . 1 1 22 22 SER C C 22 177.842 177.842 175.591 2.251 18728 17367 1 18 . 1 1 22 22 SER CA C 22 57.635 57.635 56.073 1.562 18728 17368 1 18 . 1 1 22 22 SER CB C 22 63.106 63.106 64.673 -1.567 18728 17369 1 18 . 1 1 22 22 SER H H 22 9.136 9.136 7.786 1.350 18728 17370 1 18 . 1 1 23 23 PHE N N 23 128.194 128.194 119.064 9.130 18728 17371 1 18 . 1 1 23 23 PHE HA H 23 4.307 4.307 4.481 -0.174 18728 17372 1 18 . 1 1 23 23 PHE C C 23 175.626 175.626 176.747 -1.121 18728 17373 1 18 . 1 1 23 23 PHE CA C 23 60.205 60.205 59.865 0.340 18728 17374 1 18 . 1 1 23 23 PHE CB C 23 37.570 37.570 38.870 -1.300 18728 17375 1 18 . 1 1 23 23 PHE H H 23 9.034 9.034 8.811 0.223 18728 17376 1 18 . 1 1 24 24 GLU N N 24 116.093 116.093 117.414 -1.321 18728 17377 1 18 . 1 1 24 24 GLU HA H 24 4.255 4.255 4.446 -0.191 18728 17378 1 18 . 1 1 24 24 GLU C C 24 177.429 177.429 176.966 0.463 18728 17379 1 18 . 1 1 24 24 GLU CA C 24 56.522 56.522 55.909 0.613 18728 17380 1 18 . 1 1 24 24 GLU CB C 24 29.980 29.980 29.968 0.012 18728 17381 1 18 . 1 1 24 24 GLU H H 24 8.295 8.295 7.730 0.565 18728 17382 1 18 . 1 1 25 25 THR N N 25 118.836 118.836 118.718 0.118 18728 17383 1 18 . 1 1 25 25 THR HA H 25 4.091 4.091 4.665 -0.574 18728 17384 1 18 . 1 1 25 25 THR C C 25 174.238 174.238 174.223 0.015 18728 17385 1 18 . 1 1 25 25 THR CA C 25 64.862 64.862 63.459 1.403 18728 17386 1 18 . 1 1 25 25 THR CB C 25 68.584 68.584 69.505 -0.921 18728 17387 1 18 . 1 1 25 25 THR H H 25 7.280 7.280 7.329 -0.049 18728 17388 1 18 . 1 1 26 26 THR N N 26 119.434 119.434 116.805 2.629 18728 17389 1 18 . 1 1 26 26 THR HA H 26 4.484 4.484 4.545 -0.061 18728 17390 1 18 . 1 1 26 26 THR C C 26 174.563 174.563 174.865 -0.302 18728 17391 1 18 . 1 1 26 26 THR CA C 26 59.361 59.361 59.419 -0.058 18728 17392 1 18 . 1 1 26 26 THR CB C 26 72.727 72.727 71.397 1.330 18728 17393 1 18 . 1 1 26 26 THR H H 26 8.447 8.447 8.343 0.104 18728 17394 1 18 . 1 1 27 27 ASP N N 27 120.342 120.342 122.299 -1.957 18728 17395 1 18 . 1 1 27 27 ASP HA H 27 3.920 3.920 4.276 -0.356 18728 17396 1 18 . 1 1 27 27 ASP C C 27 178.347 178.347 177.595 0.752 18728 17397 1 18 . 1 1 27 27 ASP CA C 27 58.148 58.148 57.294 0.854 18728 17398 1 18 . 1 1 27 27 ASP CB C 27 39.954 39.954 40.596 -0.643 18728 17399 1 18 . 1 1 27 27 ASP H H 27 8.794 8.794 8.924 -0.130 18728 17400 1 18 . 1 1 28 28 GLU N N 28 116.494 116.494 118.902 -2.408 18728 17401 1 18 . 1 1 28 28 GLU HA H 28 3.993 3.993 4.178 -0.185 18728 17402 1 18 . 1 1 28 28 GLU C C 28 178.987 178.987 178.910 0.077 18728 17403 1 18 . 1 1 28 28 GLU CA C 28 60.281 60.281 59.065 1.216 18728 17404 1 18 . 1 1 28 28 GLU CB C 28 29.193 29.193 29.403 -0.210 18728 17405 1 18 . 1 1 28 28 GLU H H 28 8.444 8.444 8.777 -0.333 18728 17406 1 18 . 1 1 29 29 SER N N 29 120.532 120.532 116.747 3.785 18728 17407 1 18 . 1 1 29 29 SER HA H 29 4.333 4.333 4.401 -0.068 18728 17408 1 18 . 1 1 29 29 SER C C 29 178.125 178.125 176.746 1.379 18728 17409 1 18 . 1 1 29 29 SER CA C 29 61.720 61.720 60.999 0.721 18728 17410 1 18 . 1 1 29 29 SER H H 29 8.384 8.384 7.614 0.770 18728 17411 1 18 . 1 1 30 30 LEU N N 30 126.754 126.754 124.143 2.611 18728 17412 1 18 . 1 1 30 30 LEU HA H 30 4.080 4.080 4.205 -0.125 18728 17413 1 18 . 1 1 30 30 LEU C C 30 178.341 178.341 177.664 0.677 18728 17414 1 18 . 1 1 30 30 LEU CA C 30 58.073 58.073 57.640 0.433 18728 17415 1 18 . 1 1 30 30 LEU CB C 30 42.524 42.524 41.774 0.750 18728 17416 1 18 . 1 1 30 30 LEU H H 30 8.487 8.487 8.512 -0.025 18728 17417 1 18 . 1 1 31 31 ARG N N 31 121.192 121.192 119.264 1.928 18728 17418 1 18 . 1 1 31 31 ARG HA H 31 3.863 3.863 3.828 0.035 18728 17419 1 18 . 1 1 31 31 ARG C C 31 177.765 177.765 178.315 -0.550 18728 17420 1 18 . 1 1 31 31 ARG CA C 31 59.706 59.706 60.224 -0.518 18728 17421 1 18 . 1 1 31 31 ARG CB C 31 30.648 30.648 29.958 0.690 18728 17422 1 18 . 1 1 31 31 ARG H H 31 7.980 7.980 8.054 -0.074 18728 17423 1 18 . 1 1 32 32 SER N N 32 112.868 112.868 113.163 -0.295 18728 17424 1 18 . 1 1 32 32 SER HA H 32 4.104 4.104 4.201 -0.097 18728 17425 1 18 . 1 1 32 32 SER C C 32 176.416 176.416 176.383 0.033 18728 17426 1 18 . 1 1 32 32 SER CA C 32 61.437 61.437 61.475 -0.038 18728 17427 1 18 . 1 1 32 32 SER CB C 32 62.933 62.933 62.956 -0.023 18728 17428 1 18 . 1 1 32 32 SER H H 32 8.295 8.295 8.269 0.026 18728 17429 1 18 . 1 1 33 33 HIS N N 33 115.910 115.910 119.848 -3.938 18728 17430 1 18 . 1 1 33 33 HIS HA H 33 4.346 4.346 4.450 -0.104 18728 17431 1 18 . 1 1 33 33 HIS C C 33 177.510 177.510 178.210 -0.700 18728 17432 1 18 . 1 1 33 33 HIS CA C 33 60.373 60.373 59.574 0.799 18728 17433 1 18 . 1 1 33 33 HIS CB C 33 30.776 30.776 30.501 0.275 18728 17434 1 18 . 1 1 33 33 HIS H H 33 7.406 7.406 7.592 -0.186 18728 17435 1 18 . 1 1 34 34 PHE N N 34 113.562 113.562 119.579 -6.017 18728 17436 1 18 . 1 1 34 34 PHE HA H 34 4.526 4.526 4.731 -0.205 18728 17437 1 18 . 1 1 34 34 PHE C C 34 179.061 179.061 178.233 0.828 18728 17438 1 18 . 1 1 34 34 PHE CA C 34 64.104 64.104 61.937 2.167 18728 17439 1 18 . 1 1 34 34 PHE CB C 34 38.379 38.379 39.022 -0.643 18728 17440 1 18 . 1 1 34 34 PHE H H 34 8.227 8.227 8.697 -0.470 18728 17441 1 18 . 1 1 35 35 GLU N N 35 124.490 124.490 120.601 3.889 18728 17442 1 18 . 1 1 35 35 GLU HA H 35 4.962 4.962 4.394 0.568 18728 17443 1 18 . 1 1 35 35 GLU C C 35 176.476 176.476 177.780 -1.304 18728 17444 1 18 . 1 1 35 35 GLU CA C 35 57.950 57.950 58.674 -0.724 18728 17445 1 18 . 1 1 35 35 GLU CB C 35 28.690 28.690 29.323 -0.632 18728 17446 1 18 . 1 1 35 35 GLU H H 35 9.219 9.219 8.640 0.579 18728 17447 1 18 . 1 1 36 36 GLN N N 36 116.596 116.596 117.236 -0.640 18728 17448 1 18 . 1 1 36 36 GLN HA H 36 3.706 3.706 3.945 -0.239 18728 17449 1 18 . 1 1 36 36 GLN C C 36 176.486 176.486 177.312 -0.826 18728 17450 1 18 . 1 1 36 36 GLN CA C 36 58.206 58.206 57.701 0.505 18728 17451 1 18 . 1 1 36 36 GLN CB C 36 27.731 27.731 28.212 -0.481 18728 17452 1 18 . 1 1 36 36 GLN H H 36 7.011 7.011 7.571 -0.560 18728 17453 1 18 . 1 1 37 37 TRP N N 37 114.690 114.690 117.052 -2.362 18728 17454 1 18 . 1 1 37 37 TRP HA H 37 4.481 4.481 4.844 -0.363 18728 17455 1 18 . 1 1 37 37 TRP C C 37 173.662 173.662 176.498 -2.836 18728 17456 1 18 . 1 1 37 37 TRP CA C 37 61.557 61.557 58.408 3.149 18728 17457 1 18 . 1 1 37 37 TRP CB C 37 29.074 29.074 31.278 -2.204 18728 17458 1 18 . 1 1 37 37 TRP H H 37 7.017 7.017 7.789 -0.772 18728 17459 1 18 . 1 1 38 38 GLY N N 38 105.060 105.060 104.583 0.477 18728 17460 1 18 . 1 1 38 38 GLY C C 38 171.596 171.596 172.238 -0.642 18728 17461 1 18 . 1 1 38 38 GLY CA C 38 45.545 45.545 45.320 0.225 18728 17462 1 18 . 1 1 38 38 GLY H H 38 7.294 7.294 7.631 -0.337 18728 17463 1 18 . 1 1 39 39 THR N N 39 117.179 117.179 119.451 -2.272 18728 17464 1 18 . 1 1 39 39 THR HA H 39 4.231 4.231 4.228 0.003 18728 17465 1 18 . 1 1 39 39 THR C C 39 173.760 173.760 174.115 -0.355 18728 17466 1 18 . 1 1 39 39 THR CA C 39 62.904 62.904 63.972 -1.069 18728 17467 1 18 . 1 1 39 39 THR CB C 39 69.813 69.813 69.118 0.695 18728 17468 1 18 . 1 1 39 39 THR H H 39 8.770 8.770 8.510 0.260 18728 17469 1 18 . 1 1 40 40 LEU N N 40 126.702 126.702 128.498 -1.796 18728 17470 1 18 . 1 1 40 40 LEU HA H 40 4.943 4.943 4.549 0.394 18728 17471 1 18 . 1 1 40 40 LEU C C 40 178.358 178.358 177.562 0.796 18728 17472 1 18 . 1 1 40 40 LEU CA C 40 52.969 52.969 54.828 -1.859 18728 17473 1 18 . 1 1 40 40 LEU CB C 40 41.893 41.893 42.614 -0.721 18728 17474 1 18 . 1 1 40 40 LEU H H 40 8.831 8.831 8.687 0.144 18728 17475 1 18 . 1 1 41 41 THR N N 41 117.175 117.175 115.677 1.498 18728 17476 1 18 . 1 1 41 41 THR HA H 41 4.197 4.197 4.511 -0.314 18728 17477 1 18 . 1 1 41 41 THR C C 41 175.050 175.050 174.258 0.792 18728 17478 1 18 . 1 1 41 41 THR CA C 41 62.668 62.668 61.849 0.819 18728 17479 1 18 . 1 1 41 41 THR CB C 41 67.618 67.618 70.549 -2.931 18728 17480 1 18 . 1 1 41 41 THR H H 41 8.926 8.926 8.986 -0.060 18728 17481 1 18 . 1 1 42 42 ASP N N 42 118.764 118.764 120.645 -1.881 18728 17482 1 18 . 1 1 42 42 ASP HA H 42 4.620 4.620 4.817 -0.197 18728 17483 1 18 . 1 1 42 42 ASP C C 42 174.637 174.637 173.380 1.257 18728 17484 1 18 . 1 1 42 42 ASP CA C 42 54.235 54.235 54.452 -0.217 18728 17485 1 18 . 1 1 42 42 ASP CB C 42 44.253 44.253 43.628 0.625 18728 17486 1 18 . 1 1 42 42 ASP H H 42 7.513 7.513 7.716 -0.203 18728 17487 1 18 . 1 1 43 43 CYS N N 43 123.632 123.632 122.892 0.740 18728 17488 1 18 . 1 1 43 43 CYS HA H 43 4.842 4.842 5.182 -0.340 18728 17489 1 18 . 1 1 43 43 CYS C C 43 171.885 171.885 172.204 -0.319 18728 17490 1 18 . 1 1 43 43 CYS CA C 43 59.376 59.376 57.945 1.431 18728 17491 1 18 . 1 1 43 43 CYS CB C 43 26.377 26.377 30.344 -3.967 18728 17492 1 18 . 1 1 43 43 CYS H H 43 8.436 8.436 8.703 -0.267 18728 17493 1 18 . 1 1 44 44 VAL N N 44 126.787 126.787 126.827 -0.040 18728 17494 1 18 . 1 1 44 44 VAL HA H 44 4.576 4.576 4.524 0.052 18728 17495 1 18 . 1 1 44 44 VAL C C 44 173.371 173.371 173.606 -0.235 18728 17496 1 18 . 1 1 44 44 VAL CA C 44 60.151 60.151 60.415 -0.264 18728 17497 1 18 . 1 1 44 44 VAL CB C 44 36.424 36.424 35.328 1.097 18728 17498 1 18 . 1 1 44 44 VAL H H 44 8.737 8.737 8.699 0.038 18728 17499 1 18 . 1 1 45 45 VAL N N 45 125.522 125.522 128.850 -3.328 18728 17500 1 18 . 1 1 45 45 VAL HA H 45 3.711 3.711 3.981 -0.270 18728 17501 1 18 . 1 1 45 45 VAL C C 45 176.674 176.674 175.231 1.443 18728 17502 1 18 . 1 1 45 45 VAL CA C 45 62.509 62.509 62.261 0.248 18728 17503 1 18 . 1 1 45 45 VAL CB C 45 33.175 33.175 32.409 0.766 18728 17504 1 18 . 1 1 45 45 VAL H H 45 8.269 8.269 8.485 -0.216 18728 17505 1 18 . 1 1 46 46 MET N N 46 126.833 126.833 127.823 -0.990 18728 17506 1 18 . 1 1 46 46 MET HA H 46 4.441 4.441 4.347 0.094 18728 17507 1 18 . 1 1 46 46 MET C C 46 175.413 175.413 174.878 0.535 18728 17508 1 18 . 1 1 46 46 MET CA C 46 54.852 54.852 54.582 0.270 18728 17509 1 18 . 1 1 46 46 MET CB C 46 30.454 30.454 29.684 0.770 18728 17510 1 18 . 1 1 46 46 MET H H 46 8.445 8.445 8.123 0.322 18728 17511 1 18 . 1 1 47 47 ARG N N 47 120.697 120.697 123.257 -2.560 18728 17512 1 18 . 1 1 47 47 ARG HA H 47 4.838 4.838 4.627 0.211 18728 17513 1 18 . 1 1 47 47 ARG CA C 47 54.308 54.308 54.631 -0.323 18728 17514 1 18 . 1 1 47 47 ARG CB C 47 34.048 34.048 32.311 1.737 18728 17515 1 18 . 1 1 47 47 ARG H H 47 8.308 8.308 7.958 0.350 18728 17516 1 18 . 1 1 48 48 ASP N N 48 125.146 125.146 122.510 2.636 18728 17517 1 18 . 1 1 48 48 ASP HA H 48 4.686 4.686 4.831 -0.145 18728 17518 1 18 . 1 1 48 48 ASP C C 48 176.046 176.046 176.067 -0.021 18728 17519 1 18 . 1 1 48 48 ASP CA C 48 52.106 52.106 51.982 0.124 18728 17520 1 18 . 1 1 48 48 ASP CB C 48 42.878 42.878 41.809 1.069 18728 17521 1 18 . 1 1 48 48 ASP H H 48 8.577 8.577 8.633 -0.056 18728 17522 1 18 . 1 1 49 49 PRO HA H 49 4.310 4.310 4.412 -0.102 18728 17523 1 18 . 1 1 49 49 PRO C C 49 177.166 177.166 176.340 0.826 18728 17524 1 18 . 1 1 49 49 PRO CA C 49 64.584 64.584 64.275 0.309 18728 17525 1 18 . 1 1 49 49 PRO CB C 49 32.136 32.136 31.762 0.374 18728 17526 1 18 . 1 1 50 50 ASN N N 50 115.474 115.474 115.460 0.014 18728 17527 1 18 . 1 1 50 50 ASN HA H 50 4.723 4.723 4.689 0.034 18728 17528 1 18 . 1 1 50 50 ASN C C 50 176.642 176.642 175.934 0.708 18728 17529 1 18 . 1 1 50 50 ASN CA C 50 55.444 55.444 54.772 0.672 18728 17530 1 18 . 1 1 50 50 ASN CB C 50 39.455 39.455 38.872 0.583 18728 17531 1 18 . 1 1 50 50 ASN H H 50 8.560 8.560 8.556 0.004 18728 17532 1 18 . 1 1 51 51 THR N N 51 108.788 108.788 112.746 -3.958 18728 17533 1 18 . 1 1 51 51 THR HA H 51 4.264 4.264 4.504 -0.240 18728 17534 1 18 . 1 1 51 51 THR C C 51 176.018 176.018 173.690 2.328 18728 17535 1 18 . 1 1 51 51 THR CA C 51 62.063 62.063 62.401 -0.338 18728 17536 1 18 . 1 1 51 51 THR CB C 51 70.768 70.768 70.319 0.449 18728 17537 1 18 . 1 1 51 51 THR H H 51 8.277 8.277 8.768 -0.491 18728 17538 1 18 . 1 1 52 52 LYS N N 52 114.615 114.615 117.059 -2.444 18728 17539 1 18 . 1 1 52 52 LYS HA H 52 3.917 3.917 4.081 -0.164 18728 17540 1 18 . 1 1 52 52 LYS C C 52 175.376 175.376 174.949 0.427 18728 17541 1 18 . 1 1 52 52 LYS CA C 52 57.902 57.902 56.976 0.926 18728 17542 1 18 . 1 1 52 52 LYS CB C 52 29.293 29.293 29.690 -0.397 18728 17543 1 18 . 1 1 52 52 LYS H H 52 8.091 8.091 8.093 -0.002 18728 17544 1 18 . 1 1 53 53 ARG N N 53 120.395 120.395 116.825 3.570 18728 17545 1 18 . 1 1 53 53 ARG HA H 53 4.169 4.169 4.713 -0.544 18728 17546 1 18 . 1 1 53 53 ARG C C 53 176.619 176.619 176.047 0.572 18728 17547 1 18 . 1 1 53 53 ARG CA C 53 56.233 56.233 53.270 2.963 18728 17548 1 18 . 1 1 53 53 ARG CB C 53 31.045 31.045 32.682 -1.637 18728 17549 1 18 . 1 1 53 53 ARG H H 53 7.847 7.847 7.564 0.283 18728 17550 1 18 . 1 1 54 54 SER N N 54 116.987 116.987 116.083 0.904 18728 17551 1 18 . 1 1 54 54 SER HA H 54 4.186 4.186 4.356 -0.170 18728 17552 1 18 . 1 1 54 54 SER C C 54 175.755 175.755 175.480 0.275 18728 17553 1 18 . 1 1 54 54 SER CA C 54 58.559 58.559 58.276 0.283 18728 17554 1 18 . 1 1 54 54 SER CB C 54 63.922 63.922 63.679 0.243 18728 17555 1 18 . 1 1 54 54 SER H H 54 8.810 8.810 8.321 0.489 18728 17556 1 18 . 1 1 55 55 ARG N N 55 123.427 123.427 127.586 -4.159 18728 17557 1 18 . 1 1 55 55 ARG HA H 55 4.403 4.403 4.319 0.084 18728 17558 1 18 . 1 1 55 55 ARG C C 55 177.962 177.962 176.766 1.196 18728 17559 1 18 . 1 1 55 55 ARG CA C 55 56.096 56.096 55.924 0.172 18728 17560 1 18 . 1 1 55 55 ARG CB C 55 31.294 31.294 30.094 1.200 18728 17561 1 18 . 1 1 55 55 ARG H H 55 8.976 8.976 8.541 0.435 18728 17562 1 18 . 1 1 56 56 GLY N N 56 107.308 107.308 106.718 0.590 18728 17563 1 18 . 1 1 56 56 GLY C C 56 171.856 171.856 173.452 -1.596 18728 17564 1 18 . 1 1 56 56 GLY CA C 56 45.669 45.669 45.112 0.557 18728 17565 1 18 . 1 1 56 56 GLY H H 56 9.375 9.375 7.886 1.489 18728 17566 1 18 . 1 1 57 57 PHE N N 57 112.537 112.537 114.640 -2.103 18728 17567 1 18 . 1 1 57 57 PHE HA H 57 5.201 5.201 5.304 -0.103 18728 17568 1 18 . 1 1 57 57 PHE C C 57 172.646 172.646 172.893 -0.247 18728 17569 1 18 . 1 1 57 57 PHE CA C 57 54.918 54.918 55.275 -0.357 18728 17570 1 18 . 1 1 57 57 PHE CB C 57 41.743 41.743 40.699 1.044 18728 17571 1 18 . 1 1 57 57 PHE H H 57 7.044 7.044 7.034 0.010 18728 17572 1 18 . 1 1 58 58 GLY N N 58 106.816 106.816 106.420 0.396 18728 17573 1 18 . 1 1 58 58 GLY C C 58 169.931 169.931 171.172 -1.241 18728 17574 1 18 . 1 1 58 58 GLY CA C 58 45.304 45.304 44.554 0.750 18728 17575 1 18 . 1 1 58 58 GLY H H 58 8.345 8.345 8.245 0.100 18728 17576 1 18 . 1 1 59 59 PHE N N 59 115.179 115.179 116.011 -0.832 18728 17577 1 18 . 1 1 59 59 PHE HA H 59 5.645 5.645 5.476 0.169 18728 17578 1 18 . 1 1 59 59 PHE C C 59 174.929 174.929 174.485 0.444 18728 17579 1 18 . 1 1 59 59 PHE CA C 59 56.541 56.541 56.445 0.096 18728 17580 1 18 . 1 1 59 59 PHE CB C 59 43.984 43.984 43.964 0.020 18728 17581 1 18 . 1 1 59 59 PHE H H 59 8.903 8.903 8.486 0.417 18728 17582 1 18 . 1 1 60 60 VAL N N 60 115.310 115.310 115.722 -0.412 18728 17583 1 18 . 1 1 60 60 VAL HA H 60 4.540 4.540 4.773 -0.233 18728 17584 1 18 . 1 1 60 60 VAL C C 60 173.246 173.246 174.877 -1.631 18728 17585 1 18 . 1 1 60 60 VAL CA C 60 59.421 59.421 60.032 -0.611 18728 17586 1 18 . 1 1 60 60 VAL CB C 60 34.678 34.678 33.964 0.714 18728 17587 1 18 . 1 1 60 60 VAL H H 60 8.569 8.569 9.002 -0.433 18728 17588 1 18 . 1 1 61 61 THR N N 61 120.158 120.158 122.278 -2.120 18728 17589 1 18 . 1 1 61 61 THR HA H 61 5.068 5.068 4.876 0.192 18728 17590 1 18 . 1 1 61 61 THR C C 61 173.985 173.985 173.912 0.073 18728 17591 1 18 . 1 1 61 61 THR CA C 61 61.033 61.033 62.029 -0.995 18728 17592 1 18 . 1 1 61 61 THR CB C 61 70.114 70.114 69.642 0.471 18728 17593 1 18 . 1 1 61 61 THR H H 61 8.180 8.180 8.973 -0.793 18728 17594 1 18 . 1 1 62 62 TYR N N 62 125.280 125.280 127.632 -2.352 18728 17595 1 18 . 1 1 62 62 TYR HA H 62 5.357 5.357 4.786 0.571 18728 17596 1 18 . 1 1 62 62 TYR C C 62 176.696 176.696 176.175 0.521 18728 17597 1 18 . 1 1 62 62 TYR CA C 62 58.297 58.297 58.978 -0.681 18728 17598 1 18 . 1 1 62 62 TYR CB C 62 42.217 42.217 39.977 2.240 18728 17599 1 18 . 1 1 62 62 TYR H H 62 8.407 8.407 8.878 -0.471 18728 17600 1 18 . 1 1 63 63 ALA N N 63 121.648 121.648 123.899 -2.251 18728 17601 1 18 . 1 1 63 63 ALA HA H 63 4.052 4.052 4.270 -0.218 18728 17602 1 18 . 1 1 63 63 ALA C C 63 178.252 178.252 177.373 0.879 18728 17603 1 18 . 1 1 63 63 ALA CA C 63 55.269 55.269 54.513 0.756 18728 17604 1 18 . 1 1 63 63 ALA CB C 63 19.068 19.068 19.564 -0.496 18728 17605 1 18 . 1 1 63 63 ALA H H 63 8.749 8.749 9.162 -0.413 18728 17606 1 18 . 1 1 64 64 THR N N 64 105.238 105.238 112.729 -7.491 18728 17607 1 18 . 1 1 64 64 THR HA H 64 4.902 4.902 4.625 0.277 18728 17608 1 18 . 1 1 64 64 THR C C 64 174.667 174.667 174.899 -0.232 18728 17609 1 18 . 1 1 64 64 THR CA C 64 59.184 59.184 60.962 -1.778 18728 17610 1 18 . 1 1 64 64 THR CB C 64 73.193 73.193 72.199 0.994 18728 17611 1 18 . 1 1 64 64 THR H H 64 7.992 7.992 7.669 0.323 18728 17612 1 18 . 1 1 65 65 VAL N N 65 120.939 120.939 124.418 -3.479 18728 17613 1 18 . 1 1 65 65 VAL HA H 65 3.670 3.670 3.717 -0.047 18728 17614 1 18 . 1 1 65 65 VAL C C 65 177.446 177.446 176.876 0.570 18728 17615 1 18 . 1 1 65 65 VAL CA C 65 65.535 65.535 65.378 0.157 18728 17616 1 18 . 1 1 65 65 VAL CB C 65 31.538 31.538 31.998 -0.460 18728 17617 1 18 . 1 1 65 65 VAL H H 65 8.968 8.968 8.813 0.155 18728 17618 1 18 . 1 1 66 66 GLU N N 66 120.818 120.818 119.059 1.759 18728 17619 1 18 . 1 1 66 66 GLU HA H 66 4.045 4.045 3.860 0.185 18728 17620 1 18 . 1 1 66 66 GLU C C 66 180.056 180.056 178.611 1.445 18728 17621 1 18 . 1 1 66 66 GLU CA C 66 60.430 60.430 60.145 0.284 18728 17622 1 18 . 1 1 66 66 GLU CB C 66 28.909 28.909 28.858 0.051 18728 17623 1 18 . 1 1 66 66 GLU H H 66 8.686 8.686 8.679 0.007 18728 17624 1 18 . 1 1 67 67 GLU N N 67 120.729 120.729 117.554 3.175 18728 17625 1 18 . 1 1 67 67 GLU HA H 67 3.853 3.853 4.003 -0.150 18728 17626 1 18 . 1 1 67 67 GLU C C 67 177.040 177.040 178.225 -1.185 18728 17627 1 18 . 1 1 67 67 GLU CA C 67 59.391 59.391 59.398 -0.007 18728 17628 1 18 . 1 1 67 67 GLU CB C 67 29.590 29.590 29.140 0.450 18728 17629 1 18 . 1 1 67 67 GLU H H 67 7.487 7.487 7.576 -0.089 18728 17630 1 18 . 1 1 68 68 VAL N N 68 118.408 118.408 118.515 -0.107 18728 17631 1 18 . 1 1 68 68 VAL HA H 68 3.165 3.165 3.225 -0.060 18728 17632 1 18 . 1 1 68 68 VAL C C 68 178.293 178.293 177.669 0.624 18728 17633 1 18 . 1 1 68 68 VAL CA C 68 66.391 66.391 66.125 0.266 18728 17634 1 18 . 1 1 68 68 VAL CB C 68 31.092 31.092 31.343 -0.251 18728 17635 1 18 . 1 1 68 68 VAL H H 68 6.882 6.882 7.011 -0.129 18728 17636 1 18 . 1 1 69 69 ASP N N 69 119.356 119.356 120.439 -1.083 18728 17637 1 18 . 1 1 69 69 ASP HA H 69 4.128 4.128 4.190 -0.062 18728 17638 1 18 . 1 1 69 69 ASP C C 69 178.765 178.765 178.082 0.683 18728 17639 1 18 . 1 1 69 69 ASP CA C 69 57.394 57.394 57.562 -0.168 18728 17640 1 18 . 1 1 69 69 ASP CB C 69 39.879 39.879 40.683 -0.804 18728 17641 1 18 . 1 1 69 69 ASP H H 69 8.109 8.109 7.805 0.304 18728 17642 1 18 . 1 1 70 70 ALA N N 70 123.031 123.031 120.946 2.085 18728 17643 1 18 . 1 1 70 70 ALA HA H 70 4.070 4.070 4.010 0.060 18728 17644 1 18 . 1 1 70 70 ALA C C 70 180.518 180.518 179.374 1.144 18728 17645 1 18 . 1 1 70 70 ALA CA C 70 55.209 55.209 55.069 0.140 18728 17646 1 18 . 1 1 70 70 ALA CB C 70 18.104 18.104 18.266 -0.162 18728 17647 1 18 . 1 1 70 70 ALA H H 70 7.736 7.736 7.693 0.043 18728 17648 1 18 . 1 1 71 71 ALA N N 71 121.446 121.446 119.231 2.215 18728 17649 1 18 . 1 1 71 71 ALA HA H 71 3.034 3.034 3.802 -0.768 18728 17650 1 18 . 1 1 71 71 ALA C C 71 182.248 182.248 179.625 2.623 18728 17651 1 18 . 1 1 71 71 ALA CA C 71 55.251 55.251 54.514 0.737 18728 17652 1 18 . 1 1 71 71 ALA CB C 71 17.976 17.976 18.363 -0.387 18728 17653 1 18 . 1 1 71 71 ALA H H 71 8.101 8.101 7.104 0.997 18728 17654 1 18 . 1 1 72 72 MET N N 72 118.027 118.027 116.357 1.670 18728 17655 1 18 . 1 1 72 72 MET HA H 72 4.430 4.430 4.353 0.077 18728 17656 1 18 . 1 1 72 72 MET C C 72 179.409 179.409 178.213 1.196 18728 17657 1 18 . 1 1 72 72 MET CA C 72 56.379 56.379 56.909 -0.530 18728 17658 1 18 . 1 1 72 72 MET CB C 72 30.498 30.498 31.907 -1.409 18728 17659 1 18 . 1 1 72 72 MET H H 72 8.681 8.681 7.898 0.783 18728 17660 1 18 . 1 1 73 73 ASN N N 73 119.415 119.415 117.110 2.305 18728 17661 1 18 . 1 1 73 73 ASN HA H 73 4.627 4.627 4.655 -0.028 18728 17662 1 18 . 1 1 73 73 ASN C C 73 175.014 175.014 175.861 -0.847 18728 17663 1 18 . 1 1 73 73 ASN CA C 73 54.323 54.323 54.869 -0.546 18728 17664 1 18 . 1 1 73 73 ASN CB C 73 38.468 38.468 38.124 0.344 18728 17665 1 18 . 1 1 73 73 ASN H H 73 8.096 8.096 8.100 -0.004 18728 17666 1 18 . 1 1 74 74 ALA N N 74 122.253 122.253 121.741 0.512 18728 17667 1 18 . 1 1 74 74 ALA HA H 74 4.299 4.299 4.259 0.040 18728 17668 1 18 . 1 1 74 74 ALA C C 74 175.305 175.305 176.915 -1.610 18728 17669 1 18 . 1 1 74 74 ALA CA C 74 51.273 51.273 51.445 -0.172 18728 17670 1 18 . 1 1 74 74 ALA CB C 74 18.922 18.922 18.962 -0.040 18728 17671 1 18 . 1 1 74 74 ALA H H 74 6.966 6.966 7.256 -0.290 18728 17672 1 18 . 1 1 75 75 ARG N N 75 116.833 116.833 120.332 -3.499 18728 17673 1 18 . 1 1 75 75 ARG HA H 75 3.608 3.608 3.957 -0.349 18728 17674 1 18 . 1 1 75 75 ARG CA C 75 55.086 55.086 55.054 0.032 18728 17675 1 18 . 1 1 75 75 ARG CB C 75 30.199 30.199 29.726 0.473 18728 17676 1 18 . 1 1 75 75 ARG H H 75 6.749 6.749 7.425 -0.676 18728 17677 1 18 . 1 1 76 76 PRO HA H 76 4.434 4.434 4.537 -0.103 18728 17678 1 18 . 1 1 76 76 PRO C C 76 175.590 175.590 175.446 0.144 18728 17679 1 18 . 1 1 76 76 PRO CA C 76 61.614 61.614 62.557 -0.944 18728 17680 1 18 . 1 1 76 76 PRO CB C 76 34.982 34.982 33.471 1.511 18728 17681 1 18 . 1 1 77 77 HIS N N 77 122.039 122.039 117.929 4.110 18728 17682 1 18 . 1 1 77 77 HIS HA H 77 4.559 4.559 4.890 -0.331 18728 17683 1 18 . 1 1 77 77 HIS C C 77 173.137 173.137 174.274 -1.137 18728 17684 1 18 . 1 1 77 77 HIS CA C 77 56.231 56.231 55.559 0.673 18728 17685 1 18 . 1 1 77 77 HIS CB C 77 32.909 32.909 33.920 -1.012 18728 17686 1 18 . 1 1 77 77 HIS H H 77 9.384 9.384 8.312 1.072 18728 17687 1 18 . 1 1 78 78 LYS N N 78 125.607 125.607 123.357 2.250 18728 17688 1 18 . 1 1 78 78 LYS HA H 78 4.939 4.939 5.227 -0.288 18728 17689 1 18 . 1 1 78 78 LYS C C 78 174.858 174.858 174.912 -0.054 18728 17690 1 18 . 1 1 78 78 LYS CA C 78 54.755 54.755 55.504 -0.749 18728 17691 1 18 . 1 1 78 78 LYS CB C 78 33.475 33.475 34.212 -0.737 18728 17692 1 18 . 1 1 78 78 LYS H H 78 8.485 8.485 8.722 -0.237 18728 17693 1 18 . 1 1 79 79 VAL N N 79 124.596 124.596 126.992 -2.396 18728 17694 1 18 . 1 1 79 79 VAL HA H 79 3.955 3.955 3.801 0.154 18728 17695 1 18 . 1 1 79 79 VAL C C 79 176.295 176.295 175.443 0.852 18728 17696 1 18 . 1 1 79 79 VAL CA C 79 60.737 60.737 61.349 -0.612 18728 17697 1 18 . 1 1 79 79 VAL CB C 79 33.249 33.249 33.401 -0.152 18728 17698 1 18 . 1 1 79 79 VAL H H 79 8.581 8.581 8.475 0.106 18728 17699 1 18 . 1 1 80 80 ASP N N 80 128.668 128.668 127.022 1.646 18728 17700 1 18 . 1 1 80 80 ASP HA H 80 4.228 4.228 4.276 -0.048 18728 17701 1 18 . 1 1 80 80 ASP C C 80 175.744 175.744 176.097 -0.353 18728 17702 1 18 . 1 1 80 80 ASP CA C 80 55.882 55.882 55.229 0.653 18728 17703 1 18 . 1 1 80 80 ASP CB C 80 39.692 39.692 39.479 0.213 18728 17704 1 18 . 1 1 80 80 ASP H H 80 9.553 9.553 9.191 0.362 18728 17705 1 18 . 1 1 81 81 GLY N N 81 101.527 101.527 103.466 -1.939 18728 17706 1 18 . 1 1 81 81 GLY C C 81 173.560 173.560 173.548 0.012 18728 17707 1 18 . 1 1 81 81 GLY CA C 81 45.445 45.445 45.323 0.122 18728 17708 1 18 . 1 1 81 81 GLY H H 81 8.488 8.488 8.517 -0.029 18728 17709 1 18 . 1 1 82 82 ARG N N 82 120.493 120.493 119.750 0.743 18728 17710 1 18 . 1 1 82 82 ARG HA H 82 4.640 4.640 4.654 -0.014 18728 17711 1 18 . 1 1 82 82 ARG C C 82 174.512 174.512 174.776 -0.264 18728 17712 1 18 . 1 1 82 82 ARG CA C 82 53.161 53.161 54.206 -1.045 18728 17713 1 18 . 1 1 82 82 ARG CB C 82 32.507 32.507 33.474 -0.967 18728 17714 1 18 . 1 1 82 82 ARG H H 82 7.555 7.555 7.440 0.115 18728 17715 1 18 . 1 1 83 83 VAL N N 83 124.855 124.855 127.009 -2.154 18728 17716 1 18 . 1 1 83 83 VAL HA H 83 4.501 4.501 4.425 0.076 18728 17717 1 18 . 1 1 83 83 VAL C C 83 176.701 176.701 175.270 1.431 18728 17718 1 18 . 1 1 83 83 VAL CA C 83 63.290 63.290 62.610 0.680 18728 17719 1 18 . 1 1 83 83 VAL CB C 83 30.867 30.867 31.697 -0.830 18728 17720 1 18 . 1 1 83 83 VAL H H 83 8.633 8.633 8.611 0.022 18728 17721 1 18 . 1 1 84 84 VAL N N 84 122.944 122.944 123.854 -0.910 18728 17722 1 18 . 1 1 84 84 VAL HA H 84 4.667 4.667 5.000 -0.333 18728 17723 1 18 . 1 1 84 84 VAL C C 84 174.969 174.969 174.395 0.574 18728 17724 1 18 . 1 1 84 84 VAL CA C 84 59.499 59.499 58.890 0.609 18728 17725 1 18 . 1 1 84 84 VAL CB C 84 32.761 32.761 34.461 -1.700 18728 17726 1 18 . 1 1 84 84 VAL H H 84 8.391 8.391 8.702 -0.311 18728 17727 1 18 . 1 1 85 85 GLU N N 85 120.907 120.907 123.668 -2.761 18728 17728 1 18 . 1 1 85 85 GLU HA H 85 5.087 5.087 4.966 0.121 18728 17729 1 18 . 1 1 85 85 GLU CA C 85 52.949 52.949 52.277 0.672 18728 17730 1 18 . 1 1 85 85 GLU CB C 85 31.367 31.367 30.921 0.446 18728 17731 1 18 . 1 1 85 85 GLU H H 85 8.681 8.681 9.044 -0.363 18728 17732 1 18 . 1 1 86 86 PRO HA H 86 5.383 5.383 4.968 0.415 18728 17733 1 18 . 1 1 86 86 PRO C C 86 175.908 175.908 176.248 -0.340 18728 17734 1 18 . 1 1 86 86 PRO CA C 86 61.444 61.444 62.463 -1.019 18728 17735 1 18 . 1 1 86 86 PRO CB C 86 32.657 32.657 32.620 0.037 18728 17736 1 18 . 1 1 87 87 LYS N N 87 121.252 121.252 120.447 0.805 18728 17737 1 18 . 1 1 87 87 LYS HA H 87 4.688 4.688 5.023 -0.335 18728 17738 1 18 . 1 1 87 87 LYS C C 87 175.676 175.676 175.849 -0.173 18728 17739 1 18 . 1 1 87 87 LYS CA C 87 55.101 55.101 53.985 1.116 18728 17740 1 18 . 1 1 87 87 LYS CB C 87 36.608 36.608 36.718 -0.110 18728 17741 1 18 . 1 1 87 87 LYS H H 87 9.397 9.397 8.797 0.600 18728 17742 1 18 . 1 1 88 88 ARG N N 88 123.272 123.272 121.152 2.120 18728 17743 1 18 . 1 1 88 88 ARG HA H 88 4.375 4.375 4.555 -0.180 18728 17744 1 18 . 1 1 88 88 ARG C C 88 177.011 177.011 176.076 0.935 18728 17745 1 18 . 1 1 88 88 ARG CA C 88 57.209 57.209 54.830 2.379 18728 17746 1 18 . 1 1 88 88 ARG CB C 88 30.452 30.452 31.280 -0.828 18728 17747 1 18 . 1 1 88 88 ARG H H 88 8.940 8.940 8.481 0.459 18728 17748 1 18 . 1 1 89 89 ALA N N 89 126.260 126.260 131.485 -5.225 18728 17749 1 18 . 1 1 89 89 ALA HA H 89 4.259 4.259 4.546 -0.287 18728 17750 1 18 . 1 1 89 89 ALA C C 89 177.452 177.452 176.777 0.675 18728 17751 1 18 . 1 1 89 89 ALA CA C 89 53.712 53.712 52.086 1.626 18728 17752 1 18 . 1 1 89 89 ALA CB C 89 18.824 18.824 18.632 0.192 18728 17753 1 18 . 1 1 89 89 ALA H H 89 8.424 8.424 8.149 0.275 18728 17754 1 18 . 1 1 90 90 VAL N N 90 115.835 115.835 123.522 -7.687 18728 17755 1 18 . 1 1 90 90 VAL HA H 90 4.182 4.182 4.013 0.169 18728 17756 1 18 . 1 1 90 90 VAL C C 90 175.397 175.397 176.687 -1.290 18728 17757 1 18 . 1 1 90 90 VAL CA C 90 61.516 61.516 61.999 -0.483 18728 17758 1 18 . 1 1 90 90 VAL CB C 90 33.448 33.448 32.010 1.438 18728 17759 1 18 . 1 1 90 90 VAL H H 90 7.892 7.892 7.761 0.131 18728 17760 1 18 . 1 1 91 91 SER N N 91 119.224 119.224 118.930 0.294 18728 17761 1 18 . 1 1 91 91 SER HA H 91 4.420 4.420 4.319 0.101 18728 17762 1 18 . 1 1 91 91 SER CA C 91 57.888 57.888 58.844 -0.956 18728 17763 1 18 . 1 1 91 91 SER CB C 91 63.788 63.788 63.823 -0.035 18728 17764 1 18 . 1 1 91 91 SER H H 91 8.327 8.327 8.544 -0.217 18728 17765 1 18 . 1 1 92 92 ARG HA H 92 4.231 4.231 4.053 0.178 18728 17766 1 18 . 1 1 92 92 ARG C C 92 176.651 176.651 177.870 -1.219 18728 17767 1 18 . 1 1 92 92 ARG CA C 92 56.671 56.671 58.892 -2.221 18728 17768 1 18 . 1 1 92 92 ARG CB C 92 30.776 30.776 30.134 0.642 18728 17769 1 18 . 1 1 92 92 ARG H H 92 8.425 8.425 8.882 -0.457 18728 17770 1 18 . 1 1 93 93 GLU N N 93 121.483 121.483 116.546 4.937 18728 17771 1 18 . 1 1 93 93 GLU HA H 93 4.181 4.181 4.087 0.094 18728 17772 1 18 . 1 1 93 93 GLU C C 93 176.605 176.605 179.117 -2.512 18728 17773 1 18 . 1 1 93 93 GLU CA C 93 57.185 57.185 59.324 -2.139 18728 17774 1 18 . 1 1 93 93 GLU CB C 93 30.015 30.015 28.921 1.094 18728 17775 1 18 . 1 1 93 93 GLU H H 93 8.503 8.503 8.499 0.004 18728 17776 1 18 . 1 1 94 94 ASP N N 94 121.305 121.305 119.195 2.110 18728 17777 1 18 . 1 1 94 94 ASP HA H 94 4.540 4.540 4.447 0.093 18728 17778 1 18 . 1 1 94 94 ASP C C 94 176.744 176.744 177.969 -1.225 18728 17779 1 18 . 1 1 94 94 ASP CA C 94 54.678 54.678 56.838 -2.160 18728 17780 1 18 . 1 1 94 94 ASP CB C 94 41.183 41.183 40.949 0.234 18728 17781 1 18 . 1 1 94 94 ASP H H 94 8.229 8.229 7.778 0.451 18728 17782 1 18 . 1 1 95 95 SER N N 95 115.787 115.787 112.029 3.758 18728 17783 1 18 . 1 1 95 95 SER HA H 95 4.286 4.286 4.080 0.206 18728 17784 1 18 . 1 1 95 95 SER C C 95 174.602 174.602 175.015 -0.413 18728 17785 1 18 . 1 1 95 95 SER CA C 95 58.957 58.957 59.806 -0.849 18728 17786 1 18 . 1 1 95 95 SER CB C 95 64.524 64.524 62.400 2.124 18728 17787 1 18 . 1 1 95 95 SER H H 95 8.109 8.109 7.822 0.287 18728 17788 1 18 . 1 1 96 96 GLN N N 96 120.796 120.796 118.637 2.159 18728 17789 1 18 . 1 1 96 96 GLN HA H 96 4.297 4.297 4.292 0.005 18728 17790 1 18 . 1 1 96 96 GLN C C 96 175.742 175.742 176.277 -0.535 18728 17791 1 18 . 1 1 96 96 GLN CA C 96 55.721 55.721 56.702 -0.981 18728 17792 1 18 . 1 1 96 96 GLN CB C 96 29.313 29.313 29.445 -0.132 18728 17793 1 18 . 1 1 96 96 GLN H H 96 8.161 8.161 7.388 0.773 18728 17794 1 18 . 1 1 97 97 ARG N N 97 122.462 122.462 120.587 1.875 18728 17795 1 18 . 1 1 97 97 ARG HA H 97 4.552 4.552 4.741 -0.189 18728 17796 1 18 . 1 1 97 97 ARG CA C 97 54.096 54.096 52.356 1.740 18728 17797 1 18 . 1 1 97 97 ARG CB C 97 30.115 30.115 28.931 1.184 18728 17798 1 18 . 1 1 97 97 ARG H H 97 8.029 8.029 7.734 0.295 18728 17799 1 18 . 1 1 98 98 PRO HA H 98 4.362 4.362 4.314 0.048 18728 17800 1 18 . 1 1 98 98 PRO C C 98 177.715 177.715 176.975 0.740 18728 17801 1 18 . 1 1 98 98 PRO CA C 98 63.592 63.592 63.384 0.208 18728 17802 1 18 . 1 1 98 98 PRO CB C 98 31.955 31.955 31.601 0.354 18728 17803 1 18 . 1 1 99 99 GLY N N 99 109.572 109.572 112.223 -2.651 18728 17804 1 18 . 1 1 99 99 GLY C C 99 174.356 174.356 173.705 0.651 18728 17805 1 18 . 1 1 99 99 GLY CA C 99 45.395 45.395 44.943 0.452 18728 17806 1 18 . 1 1 99 99 GLY H H 99 8.516 8.516 8.340 0.176 18728 17807 1 18 . 1 1 100 100 ALA N N 100 123.418 123.418 122.331 1.087 18728 17808 1 18 . 1 1 100 100 ALA HA H 100 4.141 4.141 4.039 0.102 18728 17809 1 18 . 1 1 100 100 ALA CA C 100 53.160 53.160 53.715 -0.555 18728 17810 1 18 . 1 1 100 100 ALA CB C 100 19.185 19.185 19.699 -0.514 18728 17811 1 18 . 1 1 100 100 ALA H H 100 8.015 8.015 7.366 0.649 18728 17812 1 18 . 1 1 101 101 HIS HA H 101 4.502 4.502 4.298 0.204 18728 17813 1 18 . 1 1 101 101 HIS C C 101 175.102 175.102 174.800 0.302 18728 17814 1 18 . 1 1 101 101 HIS CA C 101 56.309 56.309 55.478 0.831 18728 17815 1 18 . 1 1 101 101 HIS CB C 101 30.450 30.450 29.359 1.091 18728 17816 1 18 . 1 1 102 102 LEU N N 102 122.495 122.495 120.671 1.824 18728 17817 1 18 . 1 1 102 102 LEU HA H 102 4.263 4.263 4.353 -0.090 18728 17818 1 18 . 1 1 102 102 LEU C C 102 177.020 177.020 176.781 0.239 18728 17819 1 18 . 1 1 102 102 LEU CA C 102 54.934 54.934 54.453 0.480 18728 17820 1 18 . 1 1 102 102 LEU CB C 102 42.414 42.414 43.168 -0.754 18728 17821 1 18 . 1 1 102 102 LEU H H 102 7.774 7.774 7.573 0.201 18728 17822 1 18 . 1 1 103 103 THR N N 103 115.720 115.720 117.254 -1.534 18728 17823 1 18 . 1 1 103 103 THR HA H 103 4.220 4.220 4.204 0.016 18728 17824 1 18 . 1 1 103 103 THR C C 103 174.185 174.185 173.948 0.237 18728 17825 1 18 . 1 1 103 103 THR CA C 103 60.917 60.917 62.980 -2.063 18728 17826 1 18 . 1 1 103 103 THR CB C 103 69.340 69.340 67.732 1.608 18728 17827 1 18 . 1 1 103 103 THR H H 103 8.001 8.001 8.302 -0.301 18728 17828 1 18 . 1 1 104 104 VAL N N 104 122.004 122.004 124.828 -2.824 18728 17829 1 18 . 1 1 104 104 VAL HA H 104 4.330 4.330 4.483 -0.153 18728 17830 1 18 . 1 1 104 104 VAL C C 104 175.294 175.294 174.880 0.414 18728 17831 1 18 . 1 1 104 104 VAL CA C 104 61.877 61.877 60.445 1.432 18728 17832 1 18 . 1 1 104 104 VAL CB C 104 34.220 34.220 33.638 0.582 18728 17833 1 18 . 1 1 104 104 VAL H H 104 8.191 8.191 7.896 0.295 18728 17834 1 18 . 1 1 105 105 LYS N N 105 121.406 121.406 127.291 -5.885 18728 17835 1 18 . 1 1 105 105 LYS HA H 105 4.498 4.498 4.509 -0.011 18728 17836 1 18 . 1 1 105 105 LYS C C 105 173.482 173.482 175.518 -2.036 18728 17837 1 18 . 1 1 105 105 LYS CA C 105 56.433 56.433 55.904 0.529 18728 17838 1 18 . 1 1 105 105 LYS CB C 105 33.245 33.245 32.510 0.735 18728 17839 1 18 . 1 1 105 105 LYS H H 105 8.672 8.672 8.717 -0.045 18728 17840 1 18 . 1 1 106 106 LYS N N 106 121.756 121.756 119.443 2.313 18728 17841 1 18 . 1 1 106 106 LYS HA H 106 5.623 5.623 5.410 0.213 18728 17842 1 18 . 1 1 106 106 LYS C C 106 175.153 175.153 175.481 -0.328 18728 17843 1 18 . 1 1 106 106 LYS CA C 106 54.537 54.537 54.909 -0.372 18728 17844 1 18 . 1 1 106 106 LYS CB C 106 37.407 37.407 36.098 1.309 18728 17845 1 18 . 1 1 106 106 LYS H H 106 7.134 7.134 7.739 -0.605 18728 17846 1 18 . 1 1 107 107 ILE N N 107 115.982 115.982 118.632 -2.650 18728 17847 1 18 . 1 1 107 107 ILE HA H 107 5.110 5.110 5.199 -0.089 18728 17848 1 18 . 1 1 107 107 ILE C C 107 174.525 174.525 173.948 0.577 18728 17849 1 18 . 1 1 107 107 ILE CA C 107 59.009 59.009 59.200 -0.191 18728 17850 1 18 . 1 1 107 107 ILE CB C 107 40.552 40.552 41.525 -0.973 18728 17851 1 18 . 1 1 107 107 ILE H H 107 8.948 8.948 8.438 0.510 18728 17852 1 18 . 1 1 108 108 PHE N N 108 124.182 124.182 125.034 -0.852 18728 17853 1 18 . 1 1 108 108 PHE HA H 108 4.696 4.696 4.753 -0.057 18728 17854 1 18 . 1 1 108 108 PHE C C 108 173.422 173.422 173.454 -0.032 18728 17855 1 18 . 1 1 108 108 PHE CA C 108 56.567 56.567 56.224 0.344 18728 17856 1 18 . 1 1 108 108 PHE CB C 108 41.596 41.596 41.580 0.016 18728 17857 1 18 . 1 1 108 108 PHE H H 108 9.103 9.103 9.049 0.054 18728 17858 1 18 . 1 1 109 109 VAL N N 109 126.956 126.956 126.712 0.244 18728 17859 1 18 . 1 1 109 109 VAL HA H 109 4.497 4.497 4.857 -0.360 18728 17860 1 18 . 1 1 109 109 VAL C C 109 174.097 174.097 174.230 -0.133 18728 17861 1 18 . 1 1 109 109 VAL CA C 109 60.493 60.493 59.914 0.579 18728 17862 1 18 . 1 1 109 109 VAL CB C 109 33.266 33.266 32.570 0.696 18728 17863 1 18 . 1 1 109 109 VAL H H 109 8.338 8.338 8.173 0.165 18728 17864 1 18 . 1 1 110 110 GLY N N 110 113.617 113.617 112.379 1.238 18728 17865 1 18 . 1 1 110 110 GLY C C 110 174.325 174.325 173.046 1.279 18728 17866 1 18 . 1 1 110 110 GLY CA C 110 44.011 44.011 43.810 0.201 18728 17867 1 18 . 1 1 110 110 GLY H H 110 9.173 9.173 8.579 0.594 18728 17868 1 18 . 1 1 111 111 GLY N N 111 106.411 106.411 107.735 -1.324 18728 17869 1 18 . 1 1 111 111 GLY CA C 111 46.359 46.359 45.218 1.141 18728 17870 1 18 . 1 1 111 111 GLY H H 111 8.221 8.221 8.034 0.187 18728 17871 1 18 . 1 1 116 116 THR HA H 116 4.322 4.322 4.541 -0.219 18728 17872 1 18 . 1 1 116 116 THR C C 116 173.380 173.380 173.676 -0.296 18728 17873 1 18 . 1 1 116 116 THR CA C 116 63.000 63.000 61.148 1.852 18728 17874 1 18 . 1 1 117 117 GLU N N 117 130.298 130.298 122.289 8.009 18728 17875 1 18 . 1 1 117 117 GLU HA H 117 4.632 4.632 4.618 0.014 18728 17876 1 18 . 1 1 117 117 GLU C C 117 177.632 177.632 176.786 0.846 18728 17877 1 18 . 1 1 117 117 GLU CA C 117 53.853 53.853 54.594 -0.741 18728 17878 1 18 . 1 1 117 117 GLU CB C 117 32.977 32.977 32.201 0.776 18728 17879 1 18 . 1 1 117 117 GLU H H 117 11.190 11.190 8.672 2.518 18728 17880 1 18 . 1 1 118 118 GLU N N 118 122.126 122.126 121.898 0.228 18728 17881 1 18 . 1 1 118 118 GLU HA H 118 3.627 3.627 3.942 -0.315 18728 17882 1 18 . 1 1 118 118 GLU C C 118 179.294 179.294 178.011 1.283 18728 17883 1 18 . 1 1 118 118 GLU CA C 118 61.689 61.689 60.443 1.246 18728 17884 1 18 . 1 1 118 118 GLU CB C 118 29.075 29.075 29.548 -0.473 18728 17885 1 18 . 1 1 118 118 GLU H H 118 9.339 9.339 8.878 0.461 18728 17886 1 18 . 1 1 119 119 HIS N N 119 113.514 113.514 114.996 -1.482 18728 17887 1 18 . 1 1 119 119 HIS HA H 119 4.265 4.265 4.393 -0.128 18728 17888 1 18 . 1 1 119 119 HIS C C 119 176.566 176.566 178.228 -1.662 18728 17889 1 18 . 1 1 119 119 HIS CA C 119 58.917 58.917 58.836 0.081 18728 17890 1 18 . 1 1 119 119 HIS CB C 119 28.187 28.187 29.148 -0.961 18728 17891 1 18 . 1 1 119 119 HIS H H 119 8.240 8.240 8.846 -0.606 18728 17892 1 18 . 1 1 120 120 HIS N N 120 118.629 118.629 118.123 0.506 18728 17893 1 18 . 1 1 120 120 HIS HA H 120 4.332 4.332 4.372 -0.040 18728 17894 1 18 . 1 1 120 120 HIS C C 120 179.713 179.713 177.345 2.368 18728 17895 1 18 . 1 1 120 120 HIS CA C 120 60.310 60.310 58.822 1.488 18728 17896 1 18 . 1 1 120 120 HIS CB C 120 32.233 32.233 29.960 2.273 18728 17897 1 18 . 1 1 120 120 HIS H H 120 6.474 6.474 7.521 -1.047 18728 17898 1 18 . 1 1 121 121 LEU N N 121 117.249 117.249 117.034 0.215 18728 17899 1 18 . 1 1 121 121 LEU HA H 121 4.179 4.179 4.391 -0.212 18728 17900 1 18 . 1 1 121 121 LEU C C 121 178.020 178.020 178.523 -0.503 18728 17901 1 18 . 1 1 121 121 LEU CA C 121 57.924 57.924 57.596 0.328 18728 17902 1 18 . 1 1 121 121 LEU CB C 121 42.577 42.577 41.449 1.128 18728 17903 1 18 . 1 1 121 121 LEU H H 121 7.132 7.132 7.678 -0.546 18728 17904 1 18 . 1 1 122 122 ARG N N 122 121.766 121.766 120.939 0.827 18728 17905 1 18 . 1 1 122 122 ARG HA H 122 3.741 3.741 3.989 -0.248 18728 17906 1 18 . 1 1 122 122 ARG C C 122 177.023 177.023 178.045 -1.022 18728 17907 1 18 . 1 1 122 122 ARG CA C 122 60.508 60.508 59.778 0.730 18728 17908 1 18 . 1 1 122 122 ARG CB C 122 30.256 30.256 29.570 0.686 18728 17909 1 18 . 1 1 122 122 ARG H H 122 8.759 8.759 8.917 -0.158 18728 17910 1 18 . 1 1 123 123 ASP N N 123 116.299 116.299 117.503 -1.204 18728 17911 1 18 . 1 1 123 123 ASP HA H 123 4.294 4.294 4.445 -0.151 18728 17912 1 18 . 1 1 123 123 ASP C C 123 178.057 178.057 178.123 -0.066 18728 17913 1 18 . 1 1 123 123 ASP CA C 123 57.076 57.076 57.301 -0.225 18728 17914 1 18 . 1 1 123 123 ASP CB C 123 40.572 40.572 40.856 -0.284 18728 17915 1 18 . 1 1 123 123 ASP H H 123 8.423 8.423 7.869 0.554 18728 17916 1 18 . 1 1 124 124 TYR N N 124 115.172 115.172 119.934 -4.762 18728 17917 1 18 . 1 1 124 124 TYR HA H 124 4.338 4.338 4.283 0.055 18728 17918 1 18 . 1 1 124 124 TYR C C 124 177.688 177.688 177.741 -0.053 18728 17919 1 18 . 1 1 124 124 TYR CA C 124 61.660 61.660 60.959 0.701 18728 17920 1 18 . 1 1 124 124 TYR CB C 124 39.847 39.847 38.920 0.927 18728 17921 1 18 . 1 1 124 124 TYR H H 124 7.212 7.212 7.460 -0.248 18728 17922 1 18 . 1 1 125 125 PHE N N 125 113.932 113.932 118.255 -4.323 18728 17923 1 18 . 1 1 125 125 PHE HA H 125 4.515 4.515 4.189 0.326 18728 17924 1 18 . 1 1 125 125 PHE C C 125 178.209 178.209 178.289 -0.080 18728 17925 1 18 . 1 1 125 125 PHE CA C 125 63.404 63.404 61.378 2.026 18728 17926 1 18 . 1 1 125 125 PHE CB C 125 38.614 38.614 38.365 0.249 18728 17927 1 18 . 1 1 125 125 PHE H H 125 8.802 8.802 8.916 -0.114 18728 17928 1 18 . 1 1 126 126 GLU N N 126 120.515 120.515 118.948 1.567 18728 17929 1 18 . 1 1 126 126 GLU HA H 126 4.884 4.884 4.398 0.486 18728 17930 1 18 . 1 1 126 126 GLU C C 126 177.936 177.936 177.365 0.571 18728 17931 1 18 . 1 1 126 126 GLU CA C 126 58.560 58.560 58.251 0.309 18728 17932 1 18 . 1 1 126 126 GLU CB C 126 28.516 28.516 29.300 -0.784 18728 17933 1 18 . 1 1 126 126 GLU H H 126 8.869 8.869 8.109 0.760 18728 17934 1 18 . 1 1 127 127 GLN N N 127 115.855 115.855 115.788 0.067 18728 17935 1 18 . 1 1 127 127 GLN HA H 127 4.055 4.055 4.031 0.024 18728 17936 1 18 . 1 1 127 127 GLN C C 127 176.656 176.656 177.493 -0.837 18728 17937 1 18 . 1 1 127 127 GLN CA C 127 57.566 57.566 57.659 -0.093 18728 17938 1 18 . 1 1 127 127 GLN CB C 127 29.047 29.047 28.882 0.165 18728 17939 1 18 . 1 1 127 127 GLN H H 127 7.105 7.105 7.534 -0.429 18728 17940 1 18 . 1 1 128 128 TYR N N 128 116.626 116.626 116.621 0.005 18728 17941 1 18 . 1 1 128 128 TYR HA H 128 4.328 4.328 4.429 -0.101 18728 17942 1 18 . 1 1 128 128 TYR C C 128 175.596 175.596 175.537 0.059 18728 17943 1 18 . 1 1 128 128 TYR CA C 128 59.492 59.492 59.561 -0.069 18728 17944 1 18 . 1 1 128 128 TYR CB C 128 39.539 39.539 39.891 -0.352 18728 17945 1 18 . 1 1 128 128 TYR H H 128 7.950 7.950 7.813 0.137 18728 17946 1 18 . 1 1 129 129 GLY N N 129 107.386 107.386 103.230 4.156 18728 17947 1 18 . 1 1 129 129 GLY C C 129 170.407 170.407 171.993 -1.586 18728 17948 1 18 . 1 1 129 129 GLY CA C 129 44.819 44.819 45.168 -0.349 18728 17949 1 18 . 1 1 129 129 GLY H H 129 7.492 7.492 7.596 -0.104 18728 17950 1 18 . 1 1 130 130 LYS N N 130 117.786 117.786 120.711 -2.925 18728 17951 1 18 . 1 1 130 130 LYS HA H 130 4.315 4.315 4.391 -0.076 18728 17952 1 18 . 1 1 130 130 LYS C C 130 177.097 177.097 175.317 1.780 18728 17953 1 18 . 1 1 130 130 LYS CA C 130 56.938 56.938 56.608 0.330 18728 17954 1 18 . 1 1 130 130 LYS CB C 130 33.199 33.199 33.398 -0.199 18728 17955 1 18 . 1 1 130 130 LYS H H 130 8.135 8.135 8.589 -0.454 18728 17956 1 18 . 1 1 131 131 ILE N N 131 127.829 127.829 126.062 1.767 18728 17957 1 18 . 1 1 131 131 ILE HA H 131 3.681 3.681 3.968 -0.287 18728 17958 1 18 . 1 1 131 131 ILE C C 131 175.841 175.841 175.963 -0.122 18728 17959 1 18 . 1 1 131 131 ILE CA C 131 61.625 61.625 60.484 1.141 18728 17960 1 18 . 1 1 131 131 ILE CB C 131 40.441 40.441 39.614 0.827 18728 17961 1 18 . 1 1 131 131 ILE H H 131 8.917 8.917 8.443 0.474 18728 17962 1 18 . 1 1 132 132 GLU N N 132 128.437 128.437 127.873 0.564 18728 17963 1 18 . 1 1 132 132 GLU HA H 132 4.320 4.320 4.288 0.032 18728 17964 1 18 . 1 1 132 132 GLU C C 132 176.192 176.192 175.706 0.486 18728 17965 1 18 . 1 1 132 132 GLU CA C 132 57.816 57.816 58.093 -0.277 18728 17966 1 18 . 1 1 132 132 GLU CB C 132 31.670 31.670 31.096 0.574 18728 17967 1 18 . 1 1 132 132 GLU H H 132 9.136 9.136 8.739 0.397 18728 17968 1 18 . 1 1 133 133 VAL N N 133 115.096 115.096 116.623 -1.527 18728 17969 1 18 . 1 1 133 133 VAL HA H 133 4.316 4.316 4.219 0.097 18728 17970 1 18 . 1 1 133 133 VAL C C 133 172.860 172.860 173.712 -0.852 18728 17971 1 18 . 1 1 133 133 VAL CA C 133 61.258 61.258 61.146 0.112 18728 17972 1 18 . 1 1 133 133 VAL CB C 133 35.526 35.526 35.565 -0.039 18728 17973 1 18 . 1 1 133 133 VAL H H 133 7.272 7.272 7.408 -0.136 18728 17974 1 18 . 1 1 134 134 ILE N N 134 126.870 126.870 124.708 2.162 18728 17975 1 18 . 1 1 134 134 ILE HA H 134 4.464 4.464 4.349 0.115 18728 17976 1 18 . 1 1 134 134 ILE C C 134 174.004 174.004 174.788 -0.784 18728 17977 1 18 . 1 1 134 134 ILE CA C 134 60.904 60.904 60.364 0.540 18728 17978 1 18 . 1 1 134 134 ILE CB C 134 40.408 40.408 40.007 0.401 18728 17979 1 18 . 1 1 134 134 ILE H H 134 8.566 8.566 8.668 -0.102 18728 17980 1 18 . 1 1 135 135 GLU N N 135 128.037 128.037 128.513 -0.476 18728 17981 1 18 . 1 1 135 135 GLU HA H 135 4.642 4.642 4.629 0.013 18728 17982 1 18 . 1 1 135 135 GLU C C 135 174.883 174.883 174.868 0.015 18728 17983 1 18 . 1 1 135 135 GLU CA C 135 54.640 54.640 55.450 -0.810 18728 17984 1 18 . 1 1 135 135 GLU CB C 135 33.259 33.259 30.600 2.659 18728 17985 1 18 . 1 1 135 135 GLU H H 135 9.019 9.019 8.571 0.448 18728 17986 1 18 . 1 1 136 136 ILE N N 136 126.668 126.668 125.338 1.330 18728 17987 1 18 . 1 1 136 136 ILE HA H 136 3.898 3.898 4.262 -0.364 18728 17988 1 18 . 1 1 136 136 ILE C C 136 176.157 176.157 175.377 0.780 18728 17989 1 18 . 1 1 136 136 ILE CA C 136 61.336 61.336 59.673 1.663 18728 17990 1 18 . 1 1 136 136 ILE CB C 136 37.397 37.397 37.540 -0.143 18728 17991 1 18 . 1 1 136 136 ILE H H 136 8.967 8.967 8.647 0.320 18728 17992 1 18 . 1 1 137 137 MET N N 137 126.115 126.115 129.863 -3.748 18728 17993 1 18 . 1 1 137 137 MET HA H 137 4.679 4.679 4.623 0.056 18728 17994 1 18 . 1 1 137 137 MET C C 137 176.723 176.723 174.973 1.750 18728 17995 1 18 . 1 1 137 137 MET CA C 137 55.163 55.163 53.282 1.881 18728 17996 1 18 . 1 1 137 137 MET CB C 137 30.841 30.841 30.038 0.803 18728 17997 1 18 . 1 1 137 137 MET H H 137 7.656 7.656 8.464 -0.808 18728 17998 1 18 . 1 1 138 138 THR N N 138 116.735 116.735 119.618 -2.883 18728 17999 1 18 . 1 1 138 138 THR HA H 138 4.746 4.746 4.782 -0.036 18728 18000 1 18 . 1 1 138 138 THR C C 138 173.642 173.642 173.658 -0.016 18728 18001 1 18 . 1 1 138 138 THR CA C 138 60.385 60.385 60.966 -0.581 18728 18002 1 18 . 1 1 138 138 THR CB C 138 72.028 72.028 71.496 0.532 18728 18003 1 18 . 1 1 138 138 THR H H 138 8.551 8.551 8.116 0.435 18728 18004 1 18 . 1 1 139 139 ASP N N 139 123.899 123.899 122.420 1.479 18728 18005 1 18 . 1 1 139 139 ASP HA H 139 4.677 4.677 4.725 -0.048 18728 18006 1 18 . 1 1 139 139 ASP CA C 139 53.728 53.728 53.707 0.021 18728 18007 1 18 . 1 1 139 139 ASP CB C 139 42.270 42.270 42.541 -0.271 18728 18008 1 18 . 1 1 139 139 ASP H H 139 8.818 8.818 8.661 0.157 18728 18009 1 18 . 1 1 140 140 ARG HA H 140 4.037 4.037 4.180 -0.143 18728 18010 1 18 . 1 1 140 140 ARG C C 140 177.886 177.886 177.222 0.664 18728 18011 1 18 . 1 1 140 140 ARG CB C 140 29.886 29.886 30.203 -0.317 18728 18012 1 18 . 1 1 141 141 GLY N N 141 107.951 107.951 106.362 1.589 18728 18013 1 18 . 1 1 141 141 GLY C C 141 174.861 174.861 175.739 -0.878 18728 18014 1 18 . 1 1 141 141 GLY CA C 141 46.490 46.490 45.843 0.647 18728 18015 1 18 . 1 1 141 141 GLY H H 141 8.635 8.635 8.011 0.624 18728 18016 1 18 . 1 1 142 142 SER N N 142 114.044 114.044 116.273 -2.229 18728 18017 1 18 . 1 1 142 142 SER HA H 142 4.533 4.533 4.513 0.020 18728 18018 1 18 . 1 1 142 142 SER C C 142 176.080 176.080 175.090 0.990 18728 18019 1 18 . 1 1 142 142 SER CA C 142 58.429 58.429 59.014 -0.585 18728 18020 1 18 . 1 1 142 142 SER CB C 142 65.439 65.439 64.128 1.311 18728 18021 1 18 . 1 1 142 142 SER H H 142 8.034 8.034 8.665 -0.631 18728 18022 1 18 . 1 1 143 143 GLY N N 143 112.348 112.348 108.262 4.086 18728 18023 1 18 . 1 1 143 143 GLY C C 143 173.949 173.949 173.965 -0.016 18728 18024 1 18 . 1 1 143 143 GLY CA C 143 45.703 45.703 45.641 0.062 18728 18025 1 18 . 1 1 143 143 GLY H H 143 8.363 8.363 8.130 0.233 18728 18026 1 18 . 1 1 144 144 LYS N N 144 119.966 119.966 120.210 -0.244 18728 18027 1 18 . 1 1 144 144 LYS HA H 144 4.273 4.273 4.473 -0.200 18728 18028 1 18 . 1 1 144 144 LYS C C 144 176.969 176.969 176.341 0.628 18728 18029 1 18 . 1 1 144 144 LYS CA C 144 56.145 56.145 54.438 1.707 18728 18030 1 18 . 1 1 144 144 LYS CB C 144 33.378 33.378 33.264 0.114 18728 18031 1 18 . 1 1 144 144 LYS H H 144 7.786 7.786 7.840 -0.054 18728 18032 1 18 . 1 1 145 145 LYS N N 145 123.668 123.668 122.680 0.988 18728 18033 1 18 . 1 1 145 145 LYS HA H 145 4.187 4.187 4.283 -0.096 18728 18034 1 18 . 1 1 145 145 LYS C C 145 177.498 177.498 177.508 -0.010 18728 18035 1 18 . 1 1 145 145 LYS CA C 145 57.392 57.392 56.881 0.511 18728 18036 1 18 . 1 1 145 145 LYS CB C 145 32.577 32.577 32.136 0.440 18728 18037 1 18 . 1 1 145 145 LYS H H 145 8.968 8.968 8.579 0.389 18728 18038 1 18 . 1 1 146 146 ARG N N 146 119.700 119.700 125.465 -5.765 18728 18039 1 18 . 1 1 146 146 ARG HA H 146 4.294 4.294 4.324 -0.030 18728 18040 1 18 . 1 1 146 146 ARG CA C 146 56.365 56.365 56.676 -0.311 18728 18041 1 18 . 1 1 146 146 ARG CB C 146 30.786 30.786 29.758 1.028 18728 18042 1 18 . 1 1 146 146 ARG H H 146 8.095 8.095 8.835 -0.740 18728 18043 1 18 . 1 1 147 147 GLY N N 147 110.572 110.572 106.863 3.709 18728 18044 1 18 . 1 1 147 147 GLY C C 147 173.384 173.384 173.455 -0.071 18728 18045 1 18 . 1 1 147 147 GLY CA C 147 45.440 45.440 45.218 0.222 18728 18046 1 18 . 1 1 147 147 GLY H H 147 8.401 8.401 8.574 -0.173 18728 18047 1 18 . 1 1 148 148 PHE N N 148 114.199 114.199 114.759 -0.560 18728 18048 1 18 . 1 1 148 148 PHE HA H 148 5.194 5.194 5.391 -0.197 18728 18049 1 18 . 1 1 148 148 PHE C C 148 172.409 172.409 172.785 -0.376 18728 18050 1 18 . 1 1 148 148 PHE CA C 148 55.282 55.282 54.848 0.434 18728 18051 1 18 . 1 1 148 148 PHE CB C 148 41.869 41.869 40.833 1.036 18728 18052 1 18 . 1 1 148 148 PHE H H 148 7.255 7.255 7.153 0.102 18728 18053 1 18 . 1 1 149 149 ALA N N 149 121.427 121.427 119.897 1.530 18728 18054 1 18 . 1 1 149 149 ALA HA H 149 4.966 4.966 4.681 0.285 18728 18055 1 18 . 1 1 149 149 ALA C C 149 174.084 174.084 174.436 -0.352 18728 18056 1 18 . 1 1 149 149 ALA CA C 149 49.755 49.755 50.775 -1.020 18728 18057 1 18 . 1 1 149 149 ALA CB C 149 25.094 25.094 22.594 2.500 18728 18058 1 18 . 1 1 149 149 ALA H H 149 8.786 8.786 8.844 -0.058 18728 18059 1 18 . 1 1 150 150 PHE N N 150 114.425 114.425 116.472 -2.047 18728 18060 1 18 . 1 1 150 150 PHE HA H 150 5.874 5.874 5.543 0.331 18728 18061 1 18 . 1 1 150 150 PHE C C 150 176.196 176.196 174.562 1.634 18728 18062 1 18 . 1 1 150 150 PHE CA C 150 56.070 56.070 56.978 -0.908 18728 18063 1 18 . 1 1 150 150 PHE CB C 150 43.251 43.251 44.495 -1.244 18728 18064 1 18 . 1 1 150 150 PHE H H 150 8.689 8.689 9.002 -0.313 18728 18065 1 18 . 1 1 151 151 VAL N N 151 122.489 122.489 120.403 2.086 18728 18066 1 18 . 1 1 151 151 VAL HA H 151 4.375 4.375 4.538 -0.163 18728 18067 1 18 . 1 1 151 151 VAL C C 151 173.932 173.932 173.693 0.239 18728 18068 1 18 . 1 1 151 151 VAL CA C 151 61.454 61.454 60.690 0.764 18728 18069 1 18 . 1 1 151 151 VAL CB C 151 33.869 33.869 35.072 -1.203 18728 18070 1 18 . 1 1 151 151 VAL H H 151 8.559 8.559 8.562 -0.003 18728 18071 1 18 . 1 1 152 152 THR N N 152 123.112 123.112 124.452 -1.340 18728 18072 1 18 . 1 1 152 152 THR HA H 152 4.995 4.995 4.897 0.098 18728 18073 1 18 . 1 1 152 152 THR C C 152 174.047 174.047 173.729 0.318 18728 18074 1 18 . 1 1 152 152 THR CA C 152 61.931 61.931 62.611 -0.680 18728 18075 1 18 . 1 1 152 152 THR CB C 152 69.689 69.689 69.712 -0.023 18728 18076 1 18 . 1 1 152 152 THR H H 152 8.723 8.723 8.853 -0.130 18728 18077 1 18 . 1 1 153 153 PHE N N 153 127.746 127.746 126.348 1.398 18728 18078 1 18 . 1 1 153 153 PHE HA H 153 4.840 4.840 4.607 0.233 18728 18079 1 18 . 1 1 153 153 PHE C C 153 174.720 174.720 175.012 -0.292 18728 18080 1 18 . 1 1 153 153 PHE CA C 153 58.098 58.098 58.472 -0.374 18728 18081 1 18 . 1 1 153 153 PHE CB C 153 41.706 41.706 41.484 0.222 18728 18082 1 18 . 1 1 153 153 PHE H H 153 9.368 9.368 9.172 0.196 18728 18083 1 18 . 1 1 154 154 ASP N N 154 118.371 118.371 119.333 -0.962 18728 18084 1 18 . 1 1 154 154 ASP HA H 154 4.486 4.486 4.783 -0.297 18728 18085 1 18 . 1 1 154 154 ASP C C 154 175.668 175.668 175.740 -0.072 18728 18086 1 18 . 1 1 154 154 ASP CA C 154 56.114 56.114 56.033 0.081 18728 18087 1 18 . 1 1 154 154 ASP CB C 154 42.576 42.576 42.884 -0.308 18728 18088 1 18 . 1 1 154 154 ASP H H 154 8.196 8.196 8.922 -0.726 18728 18089 1 18 . 1 1 155 155 ASP N N 155 117.144 117.144 116.729 0.415 18728 18090 1 18 . 1 1 155 155 ASP HA H 155 4.909 4.909 4.818 0.091 18728 18091 1 18 . 1 1 155 155 ASP C C 155 176.392 176.392 175.673 0.719 18728 18092 1 18 . 1 1 155 155 ASP CA C 155 52.615 52.615 52.631 -0.016 18728 18093 1 18 . 1 1 155 155 ASP CB C 155 44.471 44.471 44.143 0.328 18728 18094 1 18 . 1 1 155 155 ASP H H 155 8.323 8.323 7.676 0.647 18728 18095 1 18 . 1 1 156 156 HIS N N 156 121.508 121.508 117.895 3.613 18728 18096 1 18 . 1 1 156 156 HIS HA H 156 4.336 4.336 4.528 -0.192 18728 18097 1 18 . 1 1 156 156 HIS C C 156 176.855 176.855 176.129 0.726 18728 18098 1 18 . 1 1 156 156 HIS CA C 156 58.593 58.593 57.011 1.581 18728 18099 1 18 . 1 1 156 156 HIS CB C 156 29.703 29.703 30.058 -0.355 18728 18100 1 18 . 1 1 156 156 HIS H H 156 8.492 8.492 8.246 0.246 18728 18101 1 18 . 1 1 157 157 ASP N N 157 122.539 122.539 120.369 2.170 18728 18102 1 18 . 1 1 157 157 ASP HA H 157 4.254 4.254 4.457 -0.203 18728 18103 1 18 . 1 1 157 157 ASP C C 157 178.233 178.233 178.190 0.043 18728 18104 1 18 . 1 1 157 157 ASP CA C 157 57.047 57.047 57.490 -0.443 18728 18105 1 18 . 1 1 157 157 ASP CB C 157 40.875 40.875 40.624 0.251 18728 18106 1 18 . 1 1 157 157 ASP H H 157 8.345 8.345 7.921 0.424 18728 18107 1 18 . 1 1 158 158 SER N N 158 113.623 113.623 113.706 -0.083 18728 18108 1 18 . 1 1 158 158 SER HA H 158 3.899 3.899 4.122 -0.223 18728 18109 1 18 . 1 1 158 158 SER C C 158 174.750 174.750 176.123 -1.373 18728 18110 1 18 . 1 1 158 158 SER CA C 158 61.914 61.914 61.962 -0.048 18728 18111 1 18 . 1 1 158 158 SER CB C 158 63.088 63.088 62.842 0.246 18728 18112 1 18 . 1 1 158 158 SER H H 158 7.424 7.424 8.322 -0.898 18728 18113 1 18 . 1 1 159 159 VAL N N 159 118.448 118.448 122.612 -4.164 18728 18114 1 18 . 1 1 159 159 VAL HA H 159 2.913 2.913 3.255 -0.342 18728 18115 1 18 . 1 1 159 159 VAL C C 159 177.269 177.269 177.330 -0.061 18728 18116 1 18 . 1 1 159 159 VAL CA C 159 66.512 66.512 66.048 0.464 18728 18117 1 18 . 1 1 159 159 VAL CB C 159 31.395 31.395 31.559 -0.164 18728 18118 1 18 . 1 1 159 159 VAL H H 159 6.484 6.484 6.921 -0.437 18728 18119 1 18 . 1 1 160 160 ASP N N 160 119.064 119.064 120.059 -0.995 18728 18120 1 18 . 1 1 160 160 ASP HA H 160 4.275 4.275 4.343 -0.068 18728 18121 1 18 . 1 1 160 160 ASP C C 160 178.284 178.284 178.767 -0.483 18728 18122 1 18 . 1 1 160 160 ASP CA C 160 57.798 57.798 57.255 0.542 18728 18123 1 18 . 1 1 160 160 ASP CB C 160 40.288 40.288 40.266 0.022 18728 18124 1 18 . 1 1 160 160 ASP H H 160 7.663 7.663 8.153 -0.490 18728 18125 1 18 . 1 1 161 161 LYS N N 161 116.568 116.568 118.909 -2.341 18728 18126 1 18 . 1 1 161 161 LYS HA H 161 4.030 4.030 4.055 -0.025 18728 18127 1 18 . 1 1 161 161 LYS C C 161 178.205 178.205 178.603 -0.398 18728 18128 1 18 . 1 1 161 161 LYS CA C 161 58.796 58.796 59.420 -0.625 18728 18129 1 18 . 1 1 161 161 LYS CB C 161 33.298 33.298 32.539 0.759 18728 18130 1 18 . 1 1 161 161 LYS H H 161 7.465 7.465 7.732 -0.267 18728 18131 1 18 . 1 1 162 162 ILE N N 162 119.457 119.457 117.121 2.336 18728 18132 1 18 . 1 1 162 162 ILE HA H 162 3.241 3.241 3.641 -0.400 18728 18133 1 18 . 1 1 162 162 ILE C C 162 179.129 179.129 177.981 1.148 18728 18134 1 18 . 1 1 162 162 ILE CA C 162 65.201 65.201 64.146 1.055 18728 18135 1 18 . 1 1 162 162 ILE CB C 162 39.170 39.170 38.184 0.986 18728 18136 1 18 . 1 1 162 162 ILE H H 162 7.367 7.367 7.023 0.344 18728 18137 1 18 . 1 1 163 163 VAL N N 163 109.705 109.705 116.660 -6.955 18728 18138 1 18 . 1 1 163 163 VAL HA H 163 4.093 4.093 4.013 0.080 18728 18139 1 18 . 1 1 163 163 VAL C C 163 176.685 176.685 176.751 -0.066 18728 18140 1 18 . 1 1 163 163 VAL CA C 163 64.137 64.137 64.744 -0.607 18728 18141 1 18 . 1 1 163 163 VAL CB C 163 30.720 30.720 31.492 -0.773 18728 18142 1 18 . 1 1 163 163 VAL H H 163 7.814 7.814 7.789 0.025 18728 18143 1 18 . 1 1 164 164 ILE N N 164 118.885 118.885 118.852 0.033 18728 18144 1 18 . 1 1 164 164 ILE HA H 164 3.968 3.968 3.845 0.123 18728 18145 1 18 . 1 1 164 164 ILE C C 164 176.006 176.006 176.476 -0.470 18728 18146 1 18 . 1 1 164 164 ILE CA C 164 63.328 63.328 63.546 -0.218 18728 18147 1 18 . 1 1 164 164 ILE CB C 164 38.136 38.136 38.212 -0.076 18728 18148 1 18 . 1 1 164 164 ILE H H 164 6.979 6.979 7.293 -0.314 18728 18149 1 18 . 1 1 165 165 GLN N N 165 120.509 120.509 116.774 3.735 18728 18150 1 18 . 1 1 165 165 GLN HA H 165 4.472 4.472 4.450 0.022 18728 18151 1 18 . 1 1 165 165 GLN C C 165 174.808 174.808 175.258 -0.450 18728 18152 1 18 . 1 1 165 165 GLN CA C 165 54.743 54.743 54.667 0.076 18728 18153 1 18 . 1 1 165 165 GLN CB C 165 30.183 30.183 30.728 -0.545 18728 18154 1 18 . 1 1 165 165 GLN H H 165 7.490 7.490 7.788 -0.298 18728 18155 1 18 . 1 1 166 166 LYS N N 166 122.953 122.953 121.431 1.522 18728 18156 1 18 . 1 1 166 166 LYS HA H 166 3.992 3.992 4.170 -0.178 18728 18157 1 18 . 1 1 166 166 LYS C C 166 175.496 175.496 175.524 -0.028 18728 18158 1 18 . 1 1 166 166 LYS CA C 166 59.718 59.718 57.720 1.998 18728 18159 1 18 . 1 1 166 166 LYS CB C 166 33.115 33.115 33.617 -0.502 18728 18160 1 18 . 1 1 166 166 LYS H H 166 8.085 8.085 8.519 -0.434 18728 18161 1 18 . 1 1 167 167 TYR N N 167 114.210 114.210 115.301 -1.091 18728 18162 1 18 . 1 1 167 167 TYR HA H 167 5.457 5.457 5.432 0.025 18728 18163 1 18 . 1 1 167 167 TYR C C 167 175.593 175.593 175.511 0.082 18728 18164 1 18 . 1 1 167 167 TYR CA C 167 56.417 56.417 56.681 -0.264 18728 18165 1 18 . 1 1 167 167 TYR CB C 167 40.057 40.057 41.657 -1.600 18728 18166 1 18 . 1 1 167 167 TYR H H 167 7.740 7.740 7.598 0.142 18728 18167 1 18 . 1 1 168 168 HIS N N 168 122.617 122.617 122.336 0.281 18728 18168 1 18 . 1 1 168 168 HIS HA H 168 4.526 4.526 5.027 -0.501 18728 18169 1 18 . 1 1 168 168 HIS C C 168 174.213 174.213 174.361 -0.148 18728 18170 1 18 . 1 1 168 168 HIS CA C 168 55.233 55.233 55.143 0.090 18728 18171 1 18 . 1 1 168 168 HIS CB C 168 34.906 34.906 33.797 1.109 18728 18172 1 18 . 1 1 168 168 HIS H H 168 9.035 9.035 9.405 -0.370 18728 18173 1 18 . 1 1 169 169 THR N N 169 121.981 121.981 119.664 2.317 18728 18174 1 18 . 1 1 169 169 THR HA H 169 4.722 4.722 4.694 0.028 18728 18175 1 18 . 1 1 169 169 THR C C 169 172.973 172.973 173.533 -0.560 18728 18176 1 18 . 1 1 169 169 THR CA C 169 61.620 61.620 62.178 -0.558 18728 18177 1 18 . 1 1 169 169 THR CB C 169 68.692 68.692 68.880 -0.188 18728 18178 1 18 . 1 1 169 169 THR H H 169 8.784 8.784 8.744 0.040 18728 18179 1 18 . 1 1 170 170 VAL N N 170 125.540 125.540 126.580 -1.040 18728 18180 1 18 . 1 1 170 170 VAL HA H 170 3.751 3.751 4.056 -0.305 18728 18181 1 18 . 1 1 170 170 VAL C C 170 175.997 175.997 174.799 1.198 18728 18182 1 18 . 1 1 170 170 VAL CA C 170 60.770 60.770 60.130 0.640 18728 18183 1 18 . 1 1 170 170 VAL CB C 170 34.216 34.216 32.867 1.349 18728 18184 1 18 . 1 1 170 170 VAL H H 170 8.268 8.268 8.896 -0.628 18728 18185 1 18 . 1 1 171 171 ASN N N 171 126.811 126.811 126.062 0.749 18728 18186 1 18 . 1 1 171 171 ASN HA H 171 4.065 4.065 4.390 -0.325 18728 18187 1 18 . 1 1 171 171 ASN C C 171 174.266 174.266 175.001 -0.735 18728 18188 1 18 . 1 1 171 171 ASN CA C 171 53.184 53.184 54.032 -0.848 18728 18189 1 18 . 1 1 171 171 ASN CB C 171 37.436 37.436 37.639 -0.203 18728 18190 1 18 . 1 1 171 171 ASN H H 171 9.437 9.437 9.182 0.255 18728 18191 1 18 . 1 1 172 172 GLY N N 172 100.629 100.629 101.863 -1.234 18728 18192 1 18 . 1 1 172 172 GLY C C 172 173.335 173.335 173.587 -0.252 18728 18193 1 18 . 1 1 172 172 GLY CA C 172 45.154 45.154 44.967 0.187 18728 18194 1 18 . 1 1 172 172 GLY H H 172 8.194 8.194 8.262 -0.068 18728 18195 1 18 . 1 1 173 173 HIS N N 173 119.555 119.555 120.833 -1.278 18728 18196 1 18 . 1 1 173 173 HIS HA H 173 4.860 4.860 4.756 0.104 18728 18197 1 18 . 1 1 173 173 HIS CA C 173 53.723 53.723 55.185 -1.462 18728 18198 1 18 . 1 1 173 173 HIS CB C 173 31.589 31.589 31.693 -0.104 18728 18199 1 18 . 1 1 173 173 HIS H H 173 7.657 7.657 7.689 -0.032 18728 18200 1 18 . 1 1 174 174 ASN N N 174 122.936 122.936 123.572 -0.636 18728 18201 1 18 . 1 1 174 174 ASN HA H 174 4.794 4.794 5.588 -0.794 18728 18202 1 18 . 1 1 174 174 ASN C C 174 174.918 174.918 174.937 -0.019 18728 18203 1 18 . 1 1 174 174 ASN CA C 174 53.748 53.748 52.891 0.858 18728 18204 1 18 . 1 1 174 174 ASN CB C 174 38.185 38.185 39.844 -1.659 18728 18205 1 18 . 1 1 174 174 ASN H H 174 8.828 8.828 8.812 0.016 18728 18206 1 18 . 1 1 175 175 CYS N N 175 126.425 126.425 122.571 3.854 18728 18207 1 18 . 1 1 175 175 CYS HA H 175 4.872 4.872 4.803 0.069 18728 18208 1 18 . 1 1 175 175 CYS C C 175 173.853 173.853 173.481 0.372 18728 18209 1 18 . 1 1 175 175 CYS CA C 175 59.380 59.380 56.775 2.605 18728 18210 1 18 . 1 1 175 175 CYS CB C 175 29.966 29.966 30.590 -0.624 18728 18211 1 18 . 1 1 175 175 CYS H H 175 9.078 9.078 8.891 0.187 18728 18212 1 18 . 1 1 176 176 GLU N N 176 124.488 124.488 122.303 2.185 18728 18213 1 18 . 1 1 176 176 GLU HA H 176 4.661 4.661 4.856 -0.195 18728 18214 1 18 . 1 1 176 176 GLU C C 176 175.343 175.343 175.169 0.174 18728 18215 1 18 . 1 1 176 176 GLU CA C 176 55.296 55.296 55.676 -0.380 18728 18216 1 18 . 1 1 176 176 GLU CB C 176 31.550 31.550 31.015 0.535 18728 18217 1 18 . 1 1 176 176 GLU H H 176 8.161 8.161 8.867 -0.706 18728 18218 1 18 . 1 1 177 177 VAL N N 177 122.521 122.521 125.622 -3.101 18728 18219 1 18 . 1 1 177 177 VAL HA H 177 5.628 5.628 5.479 0.149 18728 18220 1 18 . 1 1 177 177 VAL C C 177 175.720 175.720 174.443 1.277 18728 18221 1 18 . 1 1 177 177 VAL CA C 177 59.713 59.713 60.591 -0.878 18728 18222 1 18 . 1 1 177 177 VAL CB C 177 34.523 34.523 35.179 -0.656 18728 18223 1 18 . 1 1 177 177 VAL H H 177 8.684 8.684 8.749 -0.065 18728 18224 1 18 . 1 1 178 178 ARG N N 178 119.915 119.915 121.504 -1.589 18728 18225 1 18 . 1 1 178 178 ARG HA H 178 4.746 4.746 4.757 -0.011 18728 18226 1 18 . 1 1 178 178 ARG C C 178 175.689 175.689 174.677 1.012 18728 18227 1 18 . 1 1 178 178 ARG CA C 178 54.212 54.212 54.437 -0.225 18728 18228 1 18 . 1 1 178 178 ARG CB C 178 34.184 34.184 33.140 1.044 18728 18229 1 18 . 1 1 178 178 ARG H H 178 8.701 8.701 8.752 -0.051 18728 18230 1 18 . 1 1 179 179 LYS N N 179 121.001 121.001 120.769 0.232 18728 18231 1 18 . 1 1 179 179 LYS HA H 179 4.098 4.098 4.248 -0.150 18728 18232 1 18 . 1 1 179 179 LYS C C 179 176.026 176.026 176.083 -0.057 18728 18233 1 18 . 1 1 179 179 LYS CA C 179 59.027 59.027 56.569 2.458 18728 18234 1 18 . 1 1 179 179 LYS CB C 179 33.377 33.377 31.582 1.795 18728 18235 1 18 . 1 1 179 179 LYS H H 179 8.990 8.990 8.564 0.426 18728 18236 1 18 . 1 1 180 180 ALA N N 180 126.810 126.810 128.916 -2.106 18728 18237 1 18 . 1 1 180 180 ALA HA H 180 4.565 4.565 4.689 -0.124 18728 18238 1 18 . 1 1 180 180 ALA C C 180 175.318 175.318 175.937 -0.619 18728 18239 1 18 . 1 1 180 180 ALA CA C 180 51.432 51.432 50.947 0.485 18728 18240 1 18 . 1 1 180 180 ALA CB C 180 19.201 19.201 20.389 -1.188 18728 18241 1 18 . 1 1 180 180 ALA H H 180 8.378 8.378 8.531 -0.153 18728 18242 1 18 . 1 1 181 181 LEU N N 181 122.300 122.300 124.488 -2.188 18728 18243 1 18 . 1 1 181 181 LEU HA H 181 4.401 4.401 4.497 -0.096 18728 18244 1 18 . 1 1 181 181 LEU CA C 181 54.737 54.737 53.782 0.954 18728 18245 1 18 . 1 1 181 181 LEU CB C 181 43.199 43.199 43.336 -0.137 18728 18246 1 18 . 1 1 181 181 LEU H H 181 8.001 8.001 8.417 -0.416 18728 18247 1 18 . 1 1 182 182 SER HA H 182 4.406 4.406 4.384 0.022 18728 18248 1 18 . 1 1 182 182 SER CA C 182 58.100 58.100 57.734 0.366 18728 18249 1 18 . 1 1 182 182 SER CB C 182 64.440 64.440 64.689 -0.249 18728 18250 1 18 . 1 1 183 183 LYS HA H 183 4.101 4.101 4.014 0.087 18728 18251 1 18 . 1 1 183 183 LYS C C 183 177.343 177.343 178.428 -1.085 18728 18252 1 18 . 1 1 183 183 LYS CA C 183 57.744 57.744 59.919 -2.175 18728 18253 1 18 . 1 1 183 183 LYS CB C 183 32.586 32.586 32.276 0.309 18728 18254 1 18 . 1 1 184 184 GLN N N 184 120.056 120.056 116.839 3.217 18728 18255 1 18 . 1 1 184 184 GLN HA H 184 4.167 4.167 4.072 0.095 18728 18256 1 18 . 1 1 184 184 GLN C C 184 176.718 176.718 177.475 -0.757 18728 18257 1 18 . 1 1 184 184 GLN CA C 184 56.981 56.981 58.707 -1.726 18728 18258 1 18 . 1 1 184 184 GLN CB C 184 28.990 28.990 28.114 0.876 18728 18259 1 18 . 1 1 184 184 GLN H H 184 8.320 8.320 8.637 -0.317 18728 18260 1 18 . 1 1 185 185 GLU N N 185 121.610 121.610 119.500 2.110 18728 18261 1 18 . 1 1 185 185 GLU HA H 185 4.132 4.132 4.169 -0.037 18728 18262 1 18 . 1 1 185 185 GLU C C 185 177.117 177.117 179.208 -2.091 18728 18263 1 18 . 1 1 185 185 GLU CA C 185 57.234 57.234 58.686 -1.452 18728 18264 1 18 . 1 1 185 185 GLU CB C 185 30.235 30.235 29.393 0.842 18728 18265 1 18 . 1 1 185 185 GLU H H 185 8.143 8.143 7.351 0.792 18728 18266 1 18 . 1 1 186 186 MET N N 186 120.092 120.092 119.304 0.788 18728 18267 1 18 . 1 1 186 186 MET HA H 186 4.289 4.289 4.142 0.147 18728 18268 1 18 . 1 1 186 186 MET C C 186 176.438 176.438 178.625 -2.187 18728 18269 1 18 . 1 1 186 186 MET CA C 186 56.069 56.069 58.804 -2.736 18728 18270 1 18 . 1 1 186 186 MET CB C 186 32.847 32.847 32.618 0.229 18728 18271 1 18 . 1 1 186 186 MET H H 186 8.195 8.195 8.603 -0.408 18728 18272 1 18 . 1 1 187 187 ALA N N 187 124.104 124.104 120.519 3.585 18728 18273 1 18 . 1 1 187 187 ALA HA H 187 4.297 4.297 4.176 0.121 18728 18274 1 18 . 1 1 187 187 ALA C C 187 178.107 178.107 177.696 0.411 18728 18275 1 18 . 1 1 187 187 ALA CA C 187 52.912 52.912 53.492 -0.581 18728 18276 1 18 . 1 1 187 187 ALA CB C 187 19.060 19.060 19.089 -0.029 18728 18277 1 18 . 1 1 187 187 ALA H H 187 8.060 8.060 7.970 0.090 18728 18278 1 18 . 1 1 188 188 SER N N 188 114.374 114.374 111.906 2.468 18728 18279 1 18 . 1 1 188 188 SER HA H 188 4.357 4.357 4.267 0.090 18728 18280 1 18 . 1 1 188 188 SER C C 188 174.757 174.757 173.214 1.543 18728 18281 1 18 . 1 1 188 188 SER CA C 188 58.598 58.598 59.214 -0.616 18728 18282 1 18 . 1 1 188 188 SER CB C 188 63.734 63.734 61.547 2.187 18728 18283 1 18 . 1 1 188 188 SER H H 188 8.173 8.173 7.758 0.415 18728 18284 1 18 . 1 1 189 189 ALA N N 189 125.637 125.637 122.789 2.848 18728 18285 1 18 . 1 1 189 189 ALA HA H 189 4.246 4.246 4.512 -0.266 18728 18286 1 18 . 1 1 189 189 ALA CA C 189 53.015 53.015 51.435 1.580 18728 18287 1 18 . 1 1 189 189 ALA CB C 189 19.069 19.069 20.018 -0.949 18728 18288 1 18 . 1 1 189 189 ALA H H 189 8.207 8.207 7.718 0.489 18728 18289 1 19 . 1 1 5 5 GLU N N 5 122.509 122.509 119.379 3.130 18728 18290 1 19 . 1 1 5 5 GLU HA H 5 4.345 4.345 4.115 0.230 18728 18291 1 19 . 1 1 5 5 GLU C C 5 176.240 176.240 175.236 1.004 18728 18292 1 19 . 1 1 5 5 GLU CA C 5 56.190 56.190 56.682 -0.492 18728 18293 1 19 . 1 1 5 5 GLU CB C 5 30.611 30.611 29.255 1.356 18728 18294 1 19 . 1 1 5 5 GLU H H 5 8.321 8.321 8.442 -0.121 18728 18295 1 19 . 1 1 6 6 SER N N 6 118.728 118.728 119.567 -0.839 18728 18296 1 19 . 1 1 6 6 SER HA H 6 4.342 4.342 4.551 -0.209 18728 18297 1 19 . 1 1 6 6 SER CA C 6 56.305 56.305 57.141 -0.836 18728 18298 1 19 . 1 1 6 6 SER CB C 6 63.241 63.241 63.177 0.064 18728 18299 1 19 . 1 1 6 6 SER H H 6 8.349 8.349 8.193 0.156 18728 18300 1 19 . 1 1 7 7 PRO HA H 7 4.427 4.427 4.729 -0.302 18728 18301 1 19 . 1 1 7 7 PRO C C 7 177.027 177.027 175.784 1.243 18728 18302 1 19 . 1 1 7 7 PRO CA C 7 63.271 63.271 62.369 0.902 18728 18303 1 19 . 1 1 7 7 PRO CB C 7 32.111 32.111 33.490 -1.379 18728 18304 1 19 . 1 1 8 8 LYS N N 8 121.819 121.819 117.799 4.020 18728 18305 1 19 . 1 1 8 8 LYS HA H 8 4.290 4.290 4.396 -0.106 18728 18306 1 19 . 1 1 8 8 LYS C C 8 177.015 177.015 176.324 0.691 18728 18307 1 19 . 1 1 8 8 LYS CA C 8 56.455 56.455 56.264 0.191 18728 18308 1 19 . 1 1 8 8 LYS CB C 8 33.341 33.341 33.008 0.333 18728 18309 1 19 . 1 1 8 8 LYS H H 8 8.445 8.445 8.317 0.128 18728 18310 1 19 . 1 1 9 9 GLU N N 9 121.243 121.243 122.683 -1.440 18728 18311 1 19 . 1 1 9 9 GLU HA H 9 4.606 4.606 4.482 0.124 18728 18312 1 19 . 1 1 9 9 GLU CA C 9 54.480 54.480 54.733 -0.254 18728 18313 1 19 . 1 1 9 9 GLU CB C 9 29.572 29.572 28.952 0.620 18728 18314 1 19 . 1 1 9 9 GLU H H 9 8.313 8.313 7.967 0.346 18728 18315 1 19 . 1 1 10 10 PRO HA H 10 4.335 4.335 4.429 -0.094 18728 18316 1 19 . 1 1 10 10 PRO C C 10 177.491 177.491 177.740 -0.249 18728 18317 1 19 . 1 1 10 10 PRO CA C 10 63.587 63.587 62.549 1.038 18728 18318 1 19 . 1 1 10 10 PRO CB C 10 32.374 32.374 32.745 -0.371 18728 18319 1 19 . 1 1 11 11 GLU N N 11 123.071 123.071 120.655 2.416 18728 18320 1 19 . 1 1 11 11 GLU HA H 11 3.686 3.686 3.874 -0.188 18728 18321 1 19 . 1 1 11 11 GLU C C 11 177.984 177.984 178.112 -0.128 18728 18322 1 19 . 1 1 11 11 GLU CA C 11 59.651 59.651 59.584 0.067 18728 18323 1 19 . 1 1 11 11 GLU CB C 11 29.819 29.819 28.882 0.937 18728 18324 1 19 . 1 1 11 11 GLU H H 11 8.692 8.692 8.795 -0.103 18728 18325 1 19 . 1 1 12 12 GLN N N 12 116.079 116.079 116.601 -0.522 18728 18326 1 19 . 1 1 12 12 GLN HA H 12 3.979 3.979 4.154 -0.175 18728 18327 1 19 . 1 1 12 12 GLN C C 12 177.579 177.579 177.198 0.381 18728 18328 1 19 . 1 1 12 12 GLN CA C 12 58.526 58.526 58.221 0.305 18728 18329 1 19 . 1 1 12 12 GLN CB C 12 28.112 28.112 28.186 -0.074 18728 18330 1 19 . 1 1 12 12 GLN H H 12 8.647 8.647 8.386 0.261 18728 18331 1 19 . 1 1 13 13 LEU N N 13 116.530 116.530 117.640 -1.110 18728 18332 1 19 . 1 1 13 13 LEU HA H 13 4.264 4.264 4.294 -0.030 18728 18333 1 19 . 1 1 13 13 LEU C C 13 177.080 177.080 177.812 -0.732 18728 18334 1 19 . 1 1 13 13 LEU CA C 13 55.945 55.945 56.453 -0.508 18728 18335 1 19 . 1 1 13 13 LEU CB C 13 42.317 42.317 42.442 -0.125 18728 18336 1 19 . 1 1 13 13 LEU H H 13 7.471 7.471 7.630 -0.159 18728 18337 1 19 . 1 1 14 14 ARG N N 14 116.981 116.981 113.645 3.336 18728 18338 1 19 . 1 1 14 14 ARG HA H 14 4.417 4.417 4.504 -0.087 18728 18339 1 19 . 1 1 14 14 ARG C C 14 172.996 172.996 175.845 -2.849 18728 18340 1 19 . 1 1 14 14 ARG CA C 14 56.067 56.067 55.789 0.278 18728 18341 1 19 . 1 1 14 14 ARG CB C 14 29.944 29.944 31.169 -1.226 18728 18342 1 19 . 1 1 14 14 ARG H H 14 7.576 7.576 7.509 0.067 18728 18343 1 19 . 1 1 15 15 LYS N N 15 119.990 119.990 121.961 -1.971 18728 18344 1 19 . 1 1 15 15 LYS HA H 15 5.198 5.198 5.170 0.028 18728 18345 1 19 . 1 1 15 15 LYS CA C 15 55.301 55.301 55.236 0.065 18728 18346 1 19 . 1 1 15 15 LYS CB C 15 35.888 35.888 35.595 0.293 18728 18347 1 19 . 1 1 15 15 LYS H H 15 6.946 6.946 7.946 -1.000 18728 18348 1 19 . 1 1 16 16 LEU N N 16 126.081 126.081 123.685 2.396 18728 18349 1 19 . 1 1 16 16 LEU HA H 16 5.016 5.016 5.210 -0.194 18728 18350 1 19 . 1 1 16 16 LEU C C 16 176.309 176.309 175.645 0.664 18728 18351 1 19 . 1 1 16 16 LEU CA C 16 53.334 53.334 53.105 0.229 18728 18352 1 19 . 1 1 16 16 LEU CB C 16 45.062 45.062 45.667 -0.605 18728 18353 1 19 . 1 1 16 16 LEU H H 16 9.605 9.605 9.051 0.554 18728 18354 1 19 . 1 1 17 17 PHE N N 17 123.569 123.569 124.887 -1.318 18728 18355 1 19 . 1 1 17 17 PHE HA H 17 4.585 4.585 5.165 -0.580 18728 18356 1 19 . 1 1 17 17 PHE C C 17 174.362 174.362 173.993 0.369 18728 18357 1 19 . 1 1 17 17 PHE CA C 17 57.153 57.153 55.969 1.184 18728 18358 1 19 . 1 1 17 17 PHE CB C 17 40.603 40.603 40.908 -0.305 18728 18359 1 19 . 1 1 17 17 PHE H H 17 9.023 9.023 9.354 -0.331 18728 18360 1 19 . 1 1 18 18 ILE N N 18 126.932 126.932 128.206 -1.274 18728 18361 1 19 . 1 1 18 18 ILE HA H 18 4.029 4.029 4.256 -0.227 18728 18362 1 19 . 1 1 18 18 ILE C C 18 173.832 173.832 174.769 -0.937 18728 18363 1 19 . 1 1 18 18 ILE CA C 18 59.156 59.156 58.023 1.133 18728 18364 1 19 . 1 1 18 18 ILE CB C 18 36.909 36.909 36.845 0.064 18728 18365 1 19 . 1 1 18 18 ILE H H 18 8.486 8.486 8.700 -0.214 18728 18366 1 19 . 1 1 19 19 GLY N N 19 112.953 112.953 112.530 0.423 18728 18367 1 19 . 1 1 19 19 GLY C C 19 174.426 174.426 173.655 0.771 18728 18368 1 19 . 1 1 19 19 GLY CA C 19 43.611 43.611 43.084 0.527 18728 18369 1 19 . 1 1 19 19 GLY H H 19 7.948 7.948 8.549 -0.601 18728 18370 1 19 . 1 1 20 20 GLY N N 20 107.584 107.584 110.576 -2.992 18728 18371 1 19 . 1 1 20 20 GLY C C 20 175.563 175.563 174.348 1.215 18728 18372 1 19 . 1 1 20 20 GLY CA C 20 46.530 46.530 45.047 1.483 18728 18373 1 19 . 1 1 20 20 GLY H H 20 8.542 8.542 8.099 0.443 18728 18374 1 19 . 1 1 21 21 LEU N N 21 115.232 115.232 119.437 -4.205 18728 18375 1 19 . 1 1 21 21 LEU HA H 21 4.025 4.025 4.305 -0.280 18728 18376 1 19 . 1 1 21 21 LEU C C 21 179.121 179.121 176.444 2.677 18728 18377 1 19 . 1 1 21 21 LEU CA C 21 54.192 54.192 54.305 -0.113 18728 18378 1 19 . 1 1 21 21 LEU CB C 21 42.892 42.892 42.866 0.026 18728 18379 1 19 . 1 1 21 21 LEU H H 21 7.472 7.472 8.170 -0.698 18728 18380 1 19 . 1 1 22 22 SER N N 22 114.737 114.737 114.161 0.576 18728 18381 1 19 . 1 1 22 22 SER HA H 22 4.125 4.125 4.642 -0.517 18728 18382 1 19 . 1 1 22 22 SER C C 22 177.842 177.842 175.646 2.196 18728 18383 1 19 . 1 1 22 22 SER CA C 22 57.635 57.635 56.732 0.903 18728 18384 1 19 . 1 1 22 22 SER CB C 22 63.106 63.106 65.073 -1.967 18728 18385 1 19 . 1 1 22 22 SER H H 22 9.136 9.136 8.102 1.034 18728 18386 1 19 . 1 1 23 23 PHE N N 23 128.194 128.194 121.470 6.724 18728 18387 1 19 . 1 1 23 23 PHE HA H 23 4.307 4.307 4.640 -0.333 18728 18388 1 19 . 1 1 23 23 PHE C C 23 175.626 175.626 176.185 -0.559 18728 18389 1 19 . 1 1 23 23 PHE CA C 23 60.205 60.205 59.123 1.082 18728 18390 1 19 . 1 1 23 23 PHE CB C 23 37.570 37.570 39.613 -2.043 18728 18391 1 19 . 1 1 23 23 PHE H H 23 9.034 9.034 9.115 -0.081 18728 18392 1 19 . 1 1 24 24 GLU N N 24 116.093 116.093 115.953 0.140 18728 18393 1 19 . 1 1 24 24 GLU HA H 24 4.255 4.255 4.315 -0.060 18728 18394 1 19 . 1 1 24 24 GLU C C 24 177.429 177.429 175.882 1.547 18728 18395 1 19 . 1 1 24 24 GLU CA C 24 56.522 56.522 55.560 0.961 18728 18396 1 19 . 1 1 24 24 GLU CB C 24 29.980 29.980 30.009 -0.029 18728 18397 1 19 . 1 1 24 24 GLU H H 24 8.295 8.295 8.401 -0.106 18728 18398 1 19 . 1 1 25 25 THR N N 25 118.836 118.836 119.106 -0.270 18728 18399 1 19 . 1 1 25 25 THR HA H 25 4.091 4.091 4.277 -0.186 18728 18400 1 19 . 1 1 25 25 THR C C 25 174.238 174.238 174.135 0.103 18728 18401 1 19 . 1 1 25 25 THR CA C 25 64.862 64.862 64.227 0.635 18728 18402 1 19 . 1 1 25 25 THR CB C 25 68.584 68.584 69.259 -0.675 18728 18403 1 19 . 1 1 25 25 THR H H 25 7.280 7.280 7.286 -0.006 18728 18404 1 19 . 1 1 26 26 THR N N 26 119.434 119.434 116.576 2.858 18728 18405 1 19 . 1 1 26 26 THR HA H 26 4.484 4.484 4.461 0.023 18728 18406 1 19 . 1 1 26 26 THR C C 26 174.563 174.563 174.870 -0.307 18728 18407 1 19 . 1 1 26 26 THR CA C 26 59.361 59.361 59.800 -0.438 18728 18408 1 19 . 1 1 26 26 THR CB C 26 72.727 72.727 72.050 0.677 18728 18409 1 19 . 1 1 26 26 THR H H 26 8.447 8.447 7.984 0.463 18728 18410 1 19 . 1 1 27 27 ASP N N 27 120.342 120.342 120.775 -0.433 18728 18411 1 19 . 1 1 27 27 ASP HA H 27 3.920 3.920 4.342 -0.422 18728 18412 1 19 . 1 1 27 27 ASP C C 27 178.347 178.347 177.915 0.432 18728 18413 1 19 . 1 1 27 27 ASP CA C 27 58.148 58.148 56.980 1.168 18728 18414 1 19 . 1 1 27 27 ASP CB C 27 39.954 39.954 40.772 -0.818 18728 18415 1 19 . 1 1 27 27 ASP H H 27 8.794 8.794 8.735 0.059 18728 18416 1 19 . 1 1 28 28 GLU N N 28 116.494 116.494 118.718 -2.224 18728 18417 1 19 . 1 1 28 28 GLU HA H 28 3.993 3.993 3.991 0.002 18728 18418 1 19 . 1 1 28 28 GLU C C 28 178.987 178.987 178.620 0.367 18728 18419 1 19 . 1 1 28 28 GLU CA C 28 60.281 60.281 59.213 1.068 18728 18420 1 19 . 1 1 28 28 GLU CB C 28 29.193 29.193 29.070 0.123 18728 18421 1 19 . 1 1 28 28 GLU H H 28 8.444 8.444 8.706 -0.262 18728 18422 1 19 . 1 1 29 29 SER N N 29 120.532 120.532 115.547 4.985 18728 18423 1 19 . 1 1 29 29 SER HA H 29 4.333 4.333 4.281 0.052 18728 18424 1 19 . 1 1 29 29 SER C C 29 178.125 178.125 176.839 1.286 18728 18425 1 19 . 1 1 29 29 SER CA C 29 61.720 61.720 60.746 0.974 18728 18426 1 19 . 1 1 29 29 SER H H 29 8.384 8.384 7.569 0.815 18728 18427 1 19 . 1 1 30 30 LEU N N 30 126.754 126.754 123.085 3.669 18728 18428 1 19 . 1 1 30 30 LEU HA H 30 4.080 4.080 4.137 -0.057 18728 18429 1 19 . 1 1 30 30 LEU C C 30 178.341 178.341 177.942 0.399 18728 18430 1 19 . 1 1 30 30 LEU CA C 30 58.073 58.073 57.962 0.112 18728 18431 1 19 . 1 1 30 30 LEU CB C 30 42.524 42.524 41.743 0.781 18728 18432 1 19 . 1 1 30 30 LEU H H 30 8.487 8.487 7.822 0.665 18728 18433 1 19 . 1 1 31 31 ARG N N 31 121.192 121.192 118.887 2.305 18728 18434 1 19 . 1 1 31 31 ARG HA H 31 3.863 3.863 3.894 -0.031 18728 18435 1 19 . 1 1 31 31 ARG C C 31 177.765 177.765 178.361 -0.596 18728 18436 1 19 . 1 1 31 31 ARG CA C 31 59.706 59.706 60.233 -0.527 18728 18437 1 19 . 1 1 31 31 ARG CB C 31 30.648 30.648 30.143 0.505 18728 18438 1 19 . 1 1 31 31 ARG H H 31 7.980 7.980 8.399 -0.419 18728 18439 1 19 . 1 1 32 32 SER N N 32 112.868 112.868 113.668 -0.800 18728 18440 1 19 . 1 1 32 32 SER HA H 32 4.104 4.104 4.395 -0.291 18728 18441 1 19 . 1 1 32 32 SER C C 32 176.416 176.416 176.256 0.160 18728 18442 1 19 . 1 1 32 32 SER CA C 32 61.437 61.437 61.994 -0.557 18728 18443 1 19 . 1 1 32 32 SER CB C 32 62.933 62.933 63.020 -0.087 18728 18444 1 19 . 1 1 32 32 SER H H 32 8.295 8.295 8.090 0.205 18728 18445 1 19 . 1 1 33 33 HIS N N 33 115.910 115.910 120.588 -4.678 18728 18446 1 19 . 1 1 33 33 HIS HA H 33 4.346 4.346 4.319 0.027 18728 18447 1 19 . 1 1 33 33 HIS C C 33 177.510 177.510 177.560 -0.050 18728 18448 1 19 . 1 1 33 33 HIS CA C 33 60.373 60.373 59.470 0.903 18728 18449 1 19 . 1 1 33 33 HIS CB C 33 30.776 30.776 29.928 0.848 18728 18450 1 19 . 1 1 33 33 HIS H H 33 7.406 7.406 7.825 -0.419 18728 18451 1 19 . 1 1 34 34 PHE N N 34 113.562 113.562 118.485 -4.923 18728 18452 1 19 . 1 1 34 34 PHE HA H 34 4.526 4.526 4.827 -0.301 18728 18453 1 19 . 1 1 34 34 PHE C C 34 179.061 179.061 178.177 0.884 18728 18454 1 19 . 1 1 34 34 PHE CA C 34 64.104 64.104 61.180 2.924 18728 18455 1 19 . 1 1 34 34 PHE CB C 34 38.379 38.379 39.085 -0.706 18728 18456 1 19 . 1 1 34 34 PHE H H 34 8.227 8.227 8.044 0.183 18728 18457 1 19 . 1 1 35 35 GLU N N 35 124.490 124.490 120.178 4.312 18728 18458 1 19 . 1 1 35 35 GLU HA H 35 4.962 4.962 4.328 0.634 18728 18459 1 19 . 1 1 35 35 GLU C C 35 176.476 176.476 177.870 -1.394 18728 18460 1 19 . 1 1 35 35 GLU CA C 35 57.950 57.950 58.872 -0.922 18728 18461 1 19 . 1 1 35 35 GLU CB C 35 28.690 28.690 29.018 -0.328 18728 18462 1 19 . 1 1 35 35 GLU H H 35 9.219 9.219 8.500 0.719 18728 18463 1 19 . 1 1 36 36 GLN N N 36 116.596 116.596 117.099 -0.503 18728 18464 1 19 . 1 1 36 36 GLN HA H 36 3.706 3.706 3.948 -0.242 18728 18465 1 19 . 1 1 36 36 GLN C C 36 176.486 176.486 177.449 -0.963 18728 18466 1 19 . 1 1 36 36 GLN CA C 36 58.206 58.206 57.720 0.486 18728 18467 1 19 . 1 1 36 36 GLN CB C 36 27.731 27.731 28.167 -0.436 18728 18468 1 19 . 1 1 36 36 GLN H H 36 7.011 7.011 7.497 -0.486 18728 18469 1 19 . 1 1 37 37 TRP N N 37 114.690 114.690 117.316 -2.626 18728 18470 1 19 . 1 1 37 37 TRP HA H 37 4.481 4.481 4.872 -0.391 18728 18471 1 19 . 1 1 37 37 TRP C C 37 173.662 173.662 176.546 -2.884 18728 18472 1 19 . 1 1 37 37 TRP CA C 37 61.557 61.557 58.493 3.064 18728 18473 1 19 . 1 1 37 37 TRP CB C 37 29.074 29.074 31.408 -2.334 18728 18474 1 19 . 1 1 37 37 TRP H H 37 7.017 7.017 7.850 -0.833 18728 18475 1 19 . 1 1 38 38 GLY N N 38 105.060 105.060 104.931 0.129 18728 18476 1 19 . 1 1 38 38 GLY C C 38 171.596 171.596 172.413 -0.817 18728 18477 1 19 . 1 1 38 38 GLY CA C 38 45.545 45.545 45.586 -0.041 18728 18478 1 19 . 1 1 38 38 GLY H H 38 7.294 7.294 7.771 -0.477 18728 18479 1 19 . 1 1 39 39 THR N N 39 117.179 117.179 119.985 -2.806 18728 18480 1 19 . 1 1 39 39 THR HA H 39 4.231 4.231 4.312 -0.081 18728 18481 1 19 . 1 1 39 39 THR C C 39 173.760 173.760 174.409 -0.649 18728 18482 1 19 . 1 1 39 39 THR CA C 39 62.904 62.904 63.854 -0.950 18728 18483 1 19 . 1 1 39 39 THR CB C 39 69.813 69.813 69.343 0.470 18728 18484 1 19 . 1 1 39 39 THR H H 39 8.770 8.770 8.254 0.516 18728 18485 1 19 . 1 1 40 40 LEU N N 40 126.702 126.702 128.254 -1.552 18728 18486 1 19 . 1 1 40 40 LEU HA H 40 4.943 4.943 4.391 0.552 18728 18487 1 19 . 1 1 40 40 LEU C C 40 178.358 178.358 178.056 0.302 18728 18488 1 19 . 1 1 40 40 LEU CA C 40 52.969 52.969 54.808 -1.839 18728 18489 1 19 . 1 1 40 40 LEU CB C 40 41.893 41.893 42.704 -0.811 18728 18490 1 19 . 1 1 40 40 LEU H H 40 8.831 8.831 8.738 0.093 18728 18491 1 19 . 1 1 41 41 THR N N 41 117.175 117.175 112.895 4.280 18728 18492 1 19 . 1 1 41 41 THR HA H 41 4.197 4.197 4.473 -0.276 18728 18493 1 19 . 1 1 41 41 THR C C 41 175.050 175.050 174.622 0.428 18728 18494 1 19 . 1 1 41 41 THR CA C 41 62.668 62.668 62.150 0.518 18728 18495 1 19 . 1 1 41 41 THR CB C 41 67.618 67.618 70.851 -3.233 18728 18496 1 19 . 1 1 41 41 THR H H 41 8.926 8.926 9.115 -0.189 18728 18497 1 19 . 1 1 42 42 ASP N N 42 118.764 118.764 121.175 -2.411 18728 18498 1 19 . 1 1 42 42 ASP HA H 42 4.620 4.620 4.828 -0.208 18728 18499 1 19 . 1 1 42 42 ASP C C 42 174.637 174.637 173.693 0.944 18728 18500 1 19 . 1 1 42 42 ASP CA C 42 54.235 54.235 54.432 -0.197 18728 18501 1 19 . 1 1 42 42 ASP CB C 42 44.253 44.253 44.181 0.072 18728 18502 1 19 . 1 1 42 42 ASP H H 42 7.513 7.513 8.014 -0.501 18728 18503 1 19 . 1 1 43 43 CYS N N 43 123.632 123.632 121.764 1.868 18728 18504 1 19 . 1 1 43 43 CYS HA H 43 4.842 4.842 5.323 -0.481 18728 18505 1 19 . 1 1 43 43 CYS C C 43 171.885 171.885 172.309 -0.424 18728 18506 1 19 . 1 1 43 43 CYS CA C 43 59.376 59.376 57.883 1.493 18728 18507 1 19 . 1 1 43 43 CYS CB C 43 26.377 26.377 30.614 -4.237 18728 18508 1 19 . 1 1 43 43 CYS H H 43 8.436 8.436 8.588 -0.152 18728 18509 1 19 . 1 1 44 44 VAL N N 44 126.787 126.787 125.434 1.353 18728 18510 1 19 . 1 1 44 44 VAL HA H 44 4.576 4.576 4.372 0.204 18728 18511 1 19 . 1 1 44 44 VAL C C 44 173.371 173.371 173.496 -0.125 18728 18512 1 19 . 1 1 44 44 VAL CA C 44 60.151 60.151 61.373 -1.222 18728 18513 1 19 . 1 1 44 44 VAL CB C 44 36.424 36.424 35.971 0.453 18728 18514 1 19 . 1 1 44 44 VAL H H 44 8.737 8.737 8.809 -0.072 18728 18515 1 19 . 1 1 45 45 VAL N N 45 125.522 125.522 127.573 -2.051 18728 18516 1 19 . 1 1 45 45 VAL HA H 45 3.711 3.711 4.106 -0.395 18728 18517 1 19 . 1 1 45 45 VAL C C 45 176.674 176.674 174.386 2.288 18728 18518 1 19 . 1 1 45 45 VAL CA C 45 62.509 62.509 61.943 0.566 18728 18519 1 19 . 1 1 45 45 VAL CB C 45 33.175 33.175 33.510 -0.335 18728 18520 1 19 . 1 1 45 45 VAL H H 45 8.269 8.269 8.600 -0.331 18728 18521 1 19 . 1 1 46 46 MET N N 46 126.833 126.833 129.008 -2.175 18728 18522 1 19 . 1 1 46 46 MET HA H 46 4.441 4.441 4.326 0.115 18728 18523 1 19 . 1 1 46 46 MET C C 46 175.413 175.413 174.867 0.546 18728 18524 1 19 . 1 1 46 46 MET CA C 46 54.852 54.852 54.268 0.584 18728 18525 1 19 . 1 1 46 46 MET CB C 46 30.454 30.454 29.541 0.913 18728 18526 1 19 . 1 1 46 46 MET H H 46 8.445 8.445 8.180 0.265 18728 18527 1 19 . 1 1 47 47 ARG N N 47 120.697 120.697 123.247 -2.550 18728 18528 1 19 . 1 1 47 47 ARG HA H 47 4.838 4.838 4.782 0.056 18728 18529 1 19 . 1 1 47 47 ARG CA C 47 54.308 54.308 54.485 -0.177 18728 18530 1 19 . 1 1 47 47 ARG CB C 47 34.048 34.048 32.458 1.590 18728 18531 1 19 . 1 1 47 47 ARG H H 47 8.308 8.308 7.877 0.431 18728 18532 1 19 . 1 1 48 48 ASP N N 48 125.146 125.146 122.093 3.053 18728 18533 1 19 . 1 1 48 48 ASP HA H 48 4.686 4.686 4.862 -0.176 18728 18534 1 19 . 1 1 48 48 ASP C C 48 176.046 176.046 176.128 -0.082 18728 18535 1 19 . 1 1 48 48 ASP CA C 48 52.106 52.106 51.807 0.299 18728 18536 1 19 . 1 1 48 48 ASP CB C 48 42.878 42.878 41.748 1.130 18728 18537 1 19 . 1 1 48 48 ASP H H 48 8.577 8.577 8.481 0.096 18728 18538 1 19 . 1 1 49 49 PRO HA H 49 4.310 4.310 4.254 0.056 18728 18539 1 19 . 1 1 49 49 PRO C C 49 177.166 177.166 177.940 -0.774 18728 18540 1 19 . 1 1 49 49 PRO CA C 49 64.584 64.584 64.869 -0.285 18728 18541 1 19 . 1 1 49 49 PRO CB C 49 32.136 32.136 31.984 0.152 18728 18542 1 19 . 1 1 50 50 ASN N N 50 115.474 115.474 116.984 -1.510 18728 18543 1 19 . 1 1 50 50 ASN HA H 50 4.723 4.723 4.655 0.068 18728 18544 1 19 . 1 1 50 50 ASN C C 50 176.642 176.642 176.809 -0.167 18728 18545 1 19 . 1 1 50 50 ASN CA C 50 55.444 55.444 55.896 -0.452 18728 18546 1 19 . 1 1 50 50 ASN CB C 50 39.455 39.455 39.443 0.012 18728 18547 1 19 . 1 1 50 50 ASN H H 50 8.560 8.560 8.204 0.356 18728 18548 1 19 . 1 1 51 51 THR N N 51 108.788 108.788 112.765 -3.977 18728 18549 1 19 . 1 1 51 51 THR HA H 51 4.264 4.264 4.470 -0.206 18728 18550 1 19 . 1 1 51 51 THR C C 51 176.018 176.018 173.916 2.102 18728 18551 1 19 . 1 1 51 51 THR CA C 51 62.063 62.063 62.127 -0.064 18728 18552 1 19 . 1 1 51 51 THR CB C 51 70.768 70.768 69.990 0.778 18728 18553 1 19 . 1 1 51 51 THR H H 51 8.277 8.277 8.675 -0.398 18728 18554 1 19 . 1 1 52 52 LYS N N 52 114.615 114.615 117.214 -2.599 18728 18555 1 19 . 1 1 52 52 LYS HA H 52 3.917 3.917 4.010 -0.093 18728 18556 1 19 . 1 1 52 52 LYS C C 52 175.376 175.376 174.788 0.588 18728 18557 1 19 . 1 1 52 52 LYS CA C 52 57.902 57.902 57.029 0.873 18728 18558 1 19 . 1 1 52 52 LYS CB C 52 29.293 29.293 29.819 -0.526 18728 18559 1 19 . 1 1 52 52 LYS H H 52 8.091 8.091 8.160 -0.069 18728 18560 1 19 . 1 1 53 53 ARG N N 53 120.395 120.395 116.134 4.261 18728 18561 1 19 . 1 1 53 53 ARG HA H 53 4.169 4.169 4.330 -0.161 18728 18562 1 19 . 1 1 53 53 ARG C C 53 176.619 176.619 175.700 0.919 18728 18563 1 19 . 1 1 53 53 ARG CA C 53 56.233 56.233 52.983 3.250 18728 18564 1 19 . 1 1 53 53 ARG CB C 53 31.045 31.045 31.852 -0.807 18728 18565 1 19 . 1 1 53 53 ARG H H 53 7.847 7.847 7.431 0.416 18728 18566 1 19 . 1 1 54 54 SER N N 54 116.987 116.987 115.154 1.833 18728 18567 1 19 . 1 1 54 54 SER HA H 54 4.186 4.186 4.319 -0.133 18728 18568 1 19 . 1 1 54 54 SER C C 54 175.755 175.755 175.618 0.137 18728 18569 1 19 . 1 1 54 54 SER CA C 54 58.559 58.559 58.409 0.150 18728 18570 1 19 . 1 1 54 54 SER CB C 54 63.922 63.922 63.712 0.210 18728 18571 1 19 . 1 1 54 54 SER H H 54 8.810 8.810 7.771 1.039 18728 18572 1 19 . 1 1 55 55 ARG N N 55 123.427 123.427 128.323 -4.896 18728 18573 1 19 . 1 1 55 55 ARG HA H 55 4.403 4.403 4.373 0.030 18728 18574 1 19 . 1 1 55 55 ARG C C 55 177.962 177.962 176.978 0.984 18728 18575 1 19 . 1 1 55 55 ARG CA C 55 56.096 56.096 56.276 -0.180 18728 18576 1 19 . 1 1 55 55 ARG CB C 55 31.294 31.294 30.330 0.964 18728 18577 1 19 . 1 1 55 55 ARG H H 55 8.976 8.976 8.701 0.275 18728 18578 1 19 . 1 1 56 56 GLY N N 56 107.308 107.308 106.787 0.521 18728 18579 1 19 . 1 1 56 56 GLY C C 56 171.856 171.856 173.257 -1.401 18728 18580 1 19 . 1 1 56 56 GLY CA C 56 45.669 45.669 45.297 0.372 18728 18581 1 19 . 1 1 56 56 GLY H H 56 9.375 9.375 8.187 1.188 18728 18582 1 19 . 1 1 57 57 PHE N N 57 112.537 112.537 115.380 -2.843 18728 18583 1 19 . 1 1 57 57 PHE HA H 57 5.201 5.201 5.468 -0.267 18728 18584 1 19 . 1 1 57 57 PHE C C 57 172.646 172.646 172.953 -0.307 18728 18585 1 19 . 1 1 57 57 PHE CA C 57 54.918 54.918 54.735 0.183 18728 18586 1 19 . 1 1 57 57 PHE CB C 57 41.743 41.743 41.037 0.706 18728 18587 1 19 . 1 1 57 57 PHE H H 57 7.044 7.044 7.259 -0.215 18728 18588 1 19 . 1 1 58 58 GLY N N 58 106.816 106.816 106.560 0.256 18728 18589 1 19 . 1 1 58 58 GLY C C 58 169.931 169.931 171.155 -1.224 18728 18590 1 19 . 1 1 58 58 GLY CA C 58 45.304 45.304 44.476 0.828 18728 18591 1 19 . 1 1 58 58 GLY H H 58 8.345 8.345 8.415 -0.070 18728 18592 1 19 . 1 1 59 59 PHE N N 59 115.179 115.179 115.493 -0.314 18728 18593 1 19 . 1 1 59 59 PHE HA H 59 5.645 5.645 5.544 0.101 18728 18594 1 19 . 1 1 59 59 PHE C C 59 174.929 174.929 174.355 0.574 18728 18595 1 19 . 1 1 59 59 PHE CA C 59 56.541 56.541 56.275 0.266 18728 18596 1 19 . 1 1 59 59 PHE CB C 59 43.984 43.984 43.763 0.222 18728 18597 1 19 . 1 1 59 59 PHE H H 59 8.903 8.903 8.663 0.240 18728 18598 1 19 . 1 1 60 60 VAL N N 60 115.310 115.310 116.607 -1.297 18728 18599 1 19 . 1 1 60 60 VAL HA H 60 4.540 4.540 4.781 -0.241 18728 18600 1 19 . 1 1 60 60 VAL C C 60 173.246 173.246 174.799 -1.553 18728 18601 1 19 . 1 1 60 60 VAL CA C 60 59.421 59.421 60.041 -0.620 18728 18602 1 19 . 1 1 60 60 VAL CB C 60 34.678 34.678 33.300 1.378 18728 18603 1 19 . 1 1 60 60 VAL H H 60 8.569 8.569 8.817 -0.248 18728 18604 1 19 . 1 1 61 61 THR N N 61 120.158 120.158 123.547 -3.389 18728 18605 1 19 . 1 1 61 61 THR HA H 61 5.068 5.068 4.915 0.153 18728 18606 1 19 . 1 1 61 61 THR C C 61 173.985 173.985 174.093 -0.108 18728 18607 1 19 . 1 1 61 61 THR CA C 61 61.033 61.033 62.043 -1.010 18728 18608 1 19 . 1 1 61 61 THR CB C 61 70.114 70.114 69.719 0.395 18728 18609 1 19 . 1 1 61 61 THR H H 61 8.180 8.180 8.985 -0.805 18728 18610 1 19 . 1 1 62 62 TYR N N 62 125.280 125.280 126.945 -1.665 18728 18611 1 19 . 1 1 62 62 TYR HA H 62 5.357 5.357 4.634 0.723 18728 18612 1 19 . 1 1 62 62 TYR C C 62 176.696 176.696 177.222 -0.526 18728 18613 1 19 . 1 1 62 62 TYR CA C 62 58.297 58.297 59.081 -0.784 18728 18614 1 19 . 1 1 62 62 TYR CB C 62 42.217 42.217 39.814 2.403 18728 18615 1 19 . 1 1 62 62 TYR H H 62 8.407 8.407 9.226 -0.819 18728 18616 1 19 . 1 1 63 63 ALA N N 63 121.648 121.648 123.623 -1.975 18728 18617 1 19 . 1 1 63 63 ALA HA H 63 4.052 4.052 4.254 -0.202 18728 18618 1 19 . 1 1 63 63 ALA C C 63 178.252 178.252 176.878 1.374 18728 18619 1 19 . 1 1 63 63 ALA CA C 63 55.269 55.269 55.279 -0.010 18728 18620 1 19 . 1 1 63 63 ALA CB C 63 19.068 19.068 19.467 -0.399 18728 18621 1 19 . 1 1 63 63 ALA H H 63 8.749 8.749 9.055 -0.306 18728 18622 1 19 . 1 1 64 64 THR N N 64 105.238 105.238 111.520 -6.282 18728 18623 1 19 . 1 1 64 64 THR HA H 64 4.902 4.902 4.639 0.263 18728 18624 1 19 . 1 1 64 64 THR C C 64 174.667 174.667 174.762 -0.095 18728 18625 1 19 . 1 1 64 64 THR CA C 64 59.184 59.184 60.132 -0.948 18728 18626 1 19 . 1 1 64 64 THR CB C 64 73.193 73.193 72.168 1.025 18728 18627 1 19 . 1 1 64 64 THR H H 64 7.992 7.992 7.781 0.211 18728 18628 1 19 . 1 1 65 65 VAL N N 65 120.939 120.939 124.809 -3.870 18728 18629 1 19 . 1 1 65 65 VAL HA H 65 3.670 3.670 3.707 -0.037 18728 18630 1 19 . 1 1 65 65 VAL C C 65 177.446 177.446 177.365 0.081 18728 18631 1 19 . 1 1 65 65 VAL CA C 65 65.535 65.535 65.503 0.032 18728 18632 1 19 . 1 1 65 65 VAL CB C 65 31.538 31.538 31.786 -0.248 18728 18633 1 19 . 1 1 65 65 VAL H H 65 8.968 8.968 8.794 0.174 18728 18634 1 19 . 1 1 66 66 GLU N N 66 120.818 120.818 117.810 3.008 18728 18635 1 19 . 1 1 66 66 GLU HA H 66 4.045 4.045 3.977 0.068 18728 18636 1 19 . 1 1 66 66 GLU C C 66 180.056 180.056 179.245 0.811 18728 18637 1 19 . 1 1 66 66 GLU CA C 66 60.430 60.430 59.992 0.438 18728 18638 1 19 . 1 1 66 66 GLU CB C 66 28.909 28.909 28.356 0.553 18728 18639 1 19 . 1 1 66 66 GLU H H 66 8.686 8.686 8.920 -0.234 18728 18640 1 19 . 1 1 67 67 GLU N N 67 120.729 120.729 117.437 3.292 18728 18641 1 19 . 1 1 67 67 GLU HA H 67 3.853 3.853 4.057 -0.204 18728 18642 1 19 . 1 1 67 67 GLU C C 67 177.040 177.040 178.310 -1.270 18728 18643 1 19 . 1 1 67 67 GLU CA C 67 59.391 59.391 58.969 0.422 18728 18644 1 19 . 1 1 67 67 GLU CB C 67 29.590 29.590 28.925 0.665 18728 18645 1 19 . 1 1 67 67 GLU H H 67 7.487 7.487 7.593 -0.106 18728 18646 1 19 . 1 1 68 68 VAL N N 68 118.408 118.408 119.023 -0.615 18728 18647 1 19 . 1 1 68 68 VAL HA H 68 3.165 3.165 3.206 -0.041 18728 18648 1 19 . 1 1 68 68 VAL C C 68 178.293 178.293 177.801 0.492 18728 18649 1 19 . 1 1 68 68 VAL CA C 68 66.391 66.391 65.726 0.665 18728 18650 1 19 . 1 1 68 68 VAL CB C 68 31.092 31.092 31.235 -0.143 18728 18651 1 19 . 1 1 68 68 VAL H H 68 6.882 6.882 6.960 -0.078 18728 18652 1 19 . 1 1 69 69 ASP N N 69 119.356 119.356 120.376 -1.020 18728 18653 1 19 . 1 1 69 69 ASP HA H 69 4.128 4.128 4.210 -0.082 18728 18654 1 19 . 1 1 69 69 ASP C C 69 178.765 178.765 178.067 0.698 18728 18655 1 19 . 1 1 69 69 ASP CA C 69 57.394 57.394 57.761 -0.367 18728 18656 1 19 . 1 1 69 69 ASP CB C 69 39.879 39.879 40.746 -0.867 18728 18657 1 19 . 1 1 69 69 ASP H H 69 8.109 8.109 8.097 0.012 18728 18658 1 19 . 1 1 70 70 ALA N N 70 123.031 123.031 121.010 2.021 18728 18659 1 19 . 1 1 70 70 ALA HA H 70 4.070 4.070 4.015 0.055 18728 18660 1 19 . 1 1 70 70 ALA C C 70 180.518 180.518 179.451 1.067 18728 18661 1 19 . 1 1 70 70 ALA CA C 70 55.209 55.209 55.252 -0.043 18728 18662 1 19 . 1 1 70 70 ALA CB C 70 18.104 18.104 18.251 -0.147 18728 18663 1 19 . 1 1 70 70 ALA H H 70 7.736 7.736 7.815 -0.079 18728 18664 1 19 . 1 1 71 71 ALA N N 71 121.446 121.446 119.618 1.828 18728 18665 1 19 . 1 1 71 71 ALA HA H 71 3.034 3.034 3.859 -0.825 18728 18666 1 19 . 1 1 71 71 ALA C C 71 182.248 182.248 179.627 2.621 18728 18667 1 19 . 1 1 71 71 ALA CA C 71 55.251 55.251 54.547 0.704 18728 18668 1 19 . 1 1 71 71 ALA CB C 71 17.976 17.976 18.375 -0.399 18728 18669 1 19 . 1 1 71 71 ALA H H 71 8.101 8.101 7.106 0.995 18728 18670 1 19 . 1 1 72 72 MET N N 72 118.027 118.027 118.239 -0.212 18728 18671 1 19 . 1 1 72 72 MET HA H 72 4.430 4.430 4.176 0.254 18728 18672 1 19 . 1 1 72 72 MET C C 72 179.409 179.409 178.984 0.425 18728 18673 1 19 . 1 1 72 72 MET CA C 72 56.379 56.379 58.624 -2.245 18728 18674 1 19 . 1 1 72 72 MET CB C 72 30.498 30.498 32.094 -1.596 18728 18675 1 19 . 1 1 72 72 MET H H 72 8.681 8.681 8.331 0.350 18728 18676 1 19 . 1 1 73 73 ASN N N 73 119.415 119.415 118.419 0.996 18728 18677 1 19 . 1 1 73 73 ASN HA H 73 4.627 4.627 4.541 0.086 18728 18678 1 19 . 1 1 73 73 ASN C C 73 175.014 175.014 176.828 -1.814 18728 18679 1 19 . 1 1 73 73 ASN CA C 73 54.323 54.323 55.544 -1.221 18728 18680 1 19 . 1 1 73 73 ASN CB C 73 38.468 38.468 38.383 0.084 18728 18681 1 19 . 1 1 73 73 ASN H H 73 8.096 8.096 8.471 -0.375 18728 18682 1 19 . 1 1 74 74 ALA N N 74 122.253 122.253 121.305 0.948 18728 18683 1 19 . 1 1 74 74 ALA HA H 74 4.299 4.299 4.143 0.156 18728 18684 1 19 . 1 1 74 74 ALA C C 74 175.305 175.305 177.249 -1.944 18728 18685 1 19 . 1 1 74 74 ALA CA C 74 51.273 51.273 52.055 -0.782 18728 18686 1 19 . 1 1 74 74 ALA CB C 74 18.922 18.922 18.582 0.340 18728 18687 1 19 . 1 1 74 74 ALA H H 74 6.966 6.966 7.390 -0.424 18728 18688 1 19 . 1 1 75 75 ARG N N 75 116.833 116.833 119.981 -3.148 18728 18689 1 19 . 1 1 75 75 ARG HA H 75 3.608 3.608 4.080 -0.472 18728 18690 1 19 . 1 1 75 75 ARG CA C 75 55.086 55.086 54.990 0.096 18728 18691 1 19 . 1 1 75 75 ARG CB C 75 30.199 30.199 29.839 0.360 18728 18692 1 19 . 1 1 75 75 ARG H H 75 6.749 6.749 7.152 -0.403 18728 18693 1 19 . 1 1 76 76 PRO HA H 76 4.434 4.434 4.557 -0.123 18728 18694 1 19 . 1 1 76 76 PRO C C 76 175.590 175.590 175.509 0.081 18728 18695 1 19 . 1 1 76 76 PRO CA C 76 61.614 61.614 62.696 -1.082 18728 18696 1 19 . 1 1 76 76 PRO CB C 76 34.982 34.982 33.480 1.502 18728 18697 1 19 . 1 1 77 77 HIS N N 77 122.039 122.039 118.266 3.773 18728 18698 1 19 . 1 1 77 77 HIS HA H 77 4.559 4.559 4.945 -0.386 18728 18699 1 19 . 1 1 77 77 HIS C C 77 173.137 173.137 174.065 -0.928 18728 18700 1 19 . 1 1 77 77 HIS CA C 77 56.231 56.231 55.675 0.555 18728 18701 1 19 . 1 1 77 77 HIS CB C 77 32.909 32.909 34.041 -1.133 18728 18702 1 19 . 1 1 77 77 HIS H H 77 9.384 9.384 8.404 0.980 18728 18703 1 19 . 1 1 78 78 LYS N N 78 125.607 125.607 123.573 2.034 18728 18704 1 19 . 1 1 78 78 LYS HA H 78 4.939 4.939 5.072 -0.133 18728 18705 1 19 . 1 1 78 78 LYS C C 78 174.858 174.858 174.331 0.527 18728 18706 1 19 . 1 1 78 78 LYS CA C 78 54.755 54.755 55.487 -0.732 18728 18707 1 19 . 1 1 78 78 LYS CB C 78 33.475 33.475 34.554 -1.079 18728 18708 1 19 . 1 1 78 78 LYS H H 78 8.485 8.485 8.582 -0.097 18728 18709 1 19 . 1 1 79 79 VAL N N 79 124.596 124.596 124.627 -0.031 18728 18710 1 19 . 1 1 79 79 VAL HA H 79 3.955 3.955 4.247 -0.292 18728 18711 1 19 . 1 1 79 79 VAL C C 79 176.295 176.295 175.021 1.274 18728 18712 1 19 . 1 1 79 79 VAL CA C 79 60.737 60.737 60.529 0.208 18728 18713 1 19 . 1 1 79 79 VAL CB C 79 33.249 33.249 35.147 -1.898 18728 18714 1 19 . 1 1 79 79 VAL H H 79 8.581 8.581 8.195 0.386 18728 18715 1 19 . 1 1 80 80 ASP N N 80 128.668 128.668 125.627 3.041 18728 18716 1 19 . 1 1 80 80 ASP HA H 80 4.228 4.228 4.334 -0.106 18728 18717 1 19 . 1 1 80 80 ASP C C 80 175.744 175.744 176.185 -0.441 18728 18718 1 19 . 1 1 80 80 ASP CA C 80 55.882 55.882 54.973 0.909 18728 18719 1 19 . 1 1 80 80 ASP CB C 80 39.692 39.692 40.298 -0.606 18728 18720 1 19 . 1 1 80 80 ASP H H 80 9.553 9.553 8.998 0.555 18728 18721 1 19 . 1 1 81 81 GLY N N 81 101.527 101.527 102.030 -0.503 18728 18722 1 19 . 1 1 81 81 GLY C C 81 173.560 173.560 173.688 -0.128 18728 18723 1 19 . 1 1 81 81 GLY CA C 81 45.445 45.445 45.425 0.020 18728 18724 1 19 . 1 1 81 81 GLY H H 81 8.488 8.488 8.296 0.192 18728 18725 1 19 . 1 1 82 82 ARG N N 82 120.493 120.493 119.699 0.794 18728 18726 1 19 . 1 1 82 82 ARG HA H 82 4.640 4.640 4.656 -0.016 18728 18727 1 19 . 1 1 82 82 ARG C C 82 174.512 174.512 174.513 -0.001 18728 18728 1 19 . 1 1 82 82 ARG CA C 82 53.161 53.161 54.261 -1.100 18728 18729 1 19 . 1 1 82 82 ARG CB C 82 32.507 32.507 33.393 -0.886 18728 18730 1 19 . 1 1 82 82 ARG H H 82 7.555 7.555 7.541 0.014 18728 18731 1 19 . 1 1 83 83 VAL N N 83 124.855 124.855 126.284 -1.429 18728 18732 1 19 . 1 1 83 83 VAL HA H 83 4.501 4.501 4.404 0.097 18728 18733 1 19 . 1 1 83 83 VAL C C 83 176.701 176.701 174.815 1.886 18728 18734 1 19 . 1 1 83 83 VAL CA C 83 63.290 63.290 61.603 1.687 18728 18735 1 19 . 1 1 83 83 VAL CB C 83 30.867 30.867 32.338 -1.471 18728 18736 1 19 . 1 1 83 83 VAL H H 83 8.633 8.633 8.616 0.017 18728 18737 1 19 . 1 1 84 84 VAL N N 84 122.944 122.944 124.835 -1.891 18728 18738 1 19 . 1 1 84 84 VAL HA H 84 4.667 4.667 4.968 -0.301 18728 18739 1 19 . 1 1 84 84 VAL C C 84 174.969 174.969 174.467 0.502 18728 18740 1 19 . 1 1 84 84 VAL CA C 84 59.499 59.499 59.525 -0.026 18728 18741 1 19 . 1 1 84 84 VAL CB C 84 32.761 32.761 34.724 -1.963 18728 18742 1 19 . 1 1 84 84 VAL H H 84 8.391 8.391 8.530 -0.139 18728 18743 1 19 . 1 1 85 85 GLU N N 85 120.907 120.907 122.680 -1.773 18728 18744 1 19 . 1 1 85 85 GLU HA H 85 5.087 5.087 4.935 0.152 18728 18745 1 19 . 1 1 85 85 GLU CA C 85 52.949 52.949 52.774 0.175 18728 18746 1 19 . 1 1 85 85 GLU CB C 85 31.367 31.367 32.162 -0.795 18728 18747 1 19 . 1 1 85 85 GLU H H 85 8.681 8.681 8.929 -0.248 18728 18748 1 19 . 1 1 86 86 PRO HA H 86 5.383 5.383 4.982 0.401 18728 18749 1 19 . 1 1 86 86 PRO C C 86 175.908 175.908 176.341 -0.433 18728 18750 1 19 . 1 1 86 86 PRO CA C 86 61.444 61.444 62.574 -1.130 18728 18751 1 19 . 1 1 86 86 PRO CB C 86 32.657 32.657 32.400 0.257 18728 18752 1 19 . 1 1 87 87 LYS N N 87 121.252 121.252 120.894 0.358 18728 18753 1 19 . 1 1 87 87 LYS HA H 87 4.688 4.688 5.106 -0.418 18728 18754 1 19 . 1 1 87 87 LYS C C 87 175.676 175.676 176.014 -0.338 18728 18755 1 19 . 1 1 87 87 LYS CA C 87 55.101 55.101 54.401 0.700 18728 18756 1 19 . 1 1 87 87 LYS CB C 87 36.608 36.608 37.023 -0.415 18728 18757 1 19 . 1 1 87 87 LYS H H 87 9.397 9.397 8.903 0.494 18728 18758 1 19 . 1 1 88 88 ARG N N 88 123.272 123.272 120.897 2.375 18728 18759 1 19 . 1 1 88 88 ARG HA H 88 4.375 4.375 4.723 -0.348 18728 18760 1 19 . 1 1 88 88 ARG C C 88 177.011 177.011 176.240 0.771 18728 18761 1 19 . 1 1 88 88 ARG CA C 88 57.209 57.209 54.623 2.586 18728 18762 1 19 . 1 1 88 88 ARG CB C 88 30.452 30.452 31.604 -1.151 18728 18763 1 19 . 1 1 88 88 ARG H H 88 8.940 8.940 9.066 -0.126 18728 18764 1 19 . 1 1 89 89 ALA N N 89 126.260 126.260 130.507 -4.247 18728 18765 1 19 . 1 1 89 89 ALA HA H 89 4.259 4.259 4.641 -0.382 18728 18766 1 19 . 1 1 89 89 ALA C C 89 177.452 177.452 176.603 0.849 18728 18767 1 19 . 1 1 89 89 ALA CA C 89 53.712 53.712 51.746 1.966 18728 18768 1 19 . 1 1 89 89 ALA CB C 89 18.824 18.824 18.305 0.519 18728 18769 1 19 . 1 1 89 89 ALA H H 89 8.424 8.424 8.234 0.190 18728 18770 1 19 . 1 1 90 90 VAL N N 90 115.835 115.835 122.902 -7.067 18728 18771 1 19 . 1 1 90 90 VAL HA H 90 4.182 4.182 4.036 0.146 18728 18772 1 19 . 1 1 90 90 VAL C C 90 175.397 175.397 177.117 -1.720 18728 18773 1 19 . 1 1 90 90 VAL CA C 90 61.516 61.516 61.843 -0.327 18728 18774 1 19 . 1 1 90 90 VAL CB C 90 33.448 33.448 32.534 0.914 18728 18775 1 19 . 1 1 90 90 VAL H H 90 7.892 7.892 7.691 0.201 18728 18776 1 19 . 1 1 91 91 SER N N 91 119.224 119.224 118.967 0.257 18728 18777 1 19 . 1 1 91 91 SER HA H 91 4.420 4.420 4.253 0.167 18728 18778 1 19 . 1 1 91 91 SER CA C 91 57.888 57.888 59.150 -1.262 18728 18779 1 19 . 1 1 91 91 SER CB C 91 63.788 63.788 63.880 -0.092 18728 18780 1 19 . 1 1 91 91 SER H H 91 8.327 8.327 8.769 -0.442 18728 18781 1 19 . 1 1 92 92 ARG HA H 92 4.231 4.231 4.132 0.099 18728 18782 1 19 . 1 1 92 92 ARG C C 92 176.651 176.651 178.518 -1.867 18728 18783 1 19 . 1 1 92 92 ARG CA C 92 56.671 56.671 58.811 -2.140 18728 18784 1 19 . 1 1 92 92 ARG CB C 92 30.776 30.776 30.154 0.622 18728 18785 1 19 . 1 1 92 92 ARG H H 92 8.425 8.425 8.716 -0.291 18728 18786 1 19 . 1 1 93 93 GLU N N 93 121.483 121.483 117.694 3.789 18728 18787 1 19 . 1 1 93 93 GLU HA H 93 4.181 4.181 4.031 0.150 18728 18788 1 19 . 1 1 93 93 GLU C C 93 176.605 176.605 177.289 -0.684 18728 18789 1 19 . 1 1 93 93 GLU CA C 93 57.185 57.185 59.169 -1.984 18728 18790 1 19 . 1 1 93 93 GLU CB C 93 30.015 30.015 29.017 0.998 18728 18791 1 19 . 1 1 93 93 GLU H H 93 8.503 8.503 8.109 0.394 18728 18792 1 19 . 1 1 94 94 ASP N N 94 121.305 121.305 118.486 2.819 18728 18793 1 19 . 1 1 94 94 ASP HA H 94 4.540 4.540 4.591 -0.051 18728 18794 1 19 . 1 1 94 94 ASP C C 94 176.744 176.744 178.146 -1.402 18728 18795 1 19 . 1 1 94 94 ASP CA C 94 54.678 54.678 56.212 -1.534 18728 18796 1 19 . 1 1 94 94 ASP CB C 94 41.183 41.183 41.348 -0.165 18728 18797 1 19 . 1 1 94 94 ASP H H 94 8.229 8.229 7.758 0.471 18728 18798 1 19 . 1 1 95 95 SER N N 95 115.787 115.787 113.295 2.492 18728 18799 1 19 . 1 1 95 95 SER HA H 95 4.286 4.286 3.881 0.405 18728 18800 1 19 . 1 1 95 95 SER C C 95 174.602 174.602 175.490 -0.888 18728 18801 1 19 . 1 1 95 95 SER CA C 95 58.957 58.957 60.313 -1.357 18728 18802 1 19 . 1 1 95 95 SER CB C 95 64.524 64.524 63.070 1.454 18728 18803 1 19 . 1 1 95 95 SER H H 95 8.109 8.109 8.198 -0.089 18728 18804 1 19 . 1 1 96 96 GLN N N 96 120.796 120.796 118.424 2.372 18728 18805 1 19 . 1 1 96 96 GLN HA H 96 4.297 4.297 4.322 -0.025 18728 18806 1 19 . 1 1 96 96 GLN C C 96 175.742 175.742 175.853 -0.111 18728 18807 1 19 . 1 1 96 96 GLN CA C 96 55.721 55.721 56.373 -0.652 18728 18808 1 19 . 1 1 96 96 GLN CB C 96 29.313 29.313 29.342 -0.029 18728 18809 1 19 . 1 1 96 96 GLN H H 96 8.161 8.161 7.525 0.636 18728 18810 1 19 . 1 1 97 97 ARG N N 97 122.462 122.462 119.304 3.158 18728 18811 1 19 . 1 1 97 97 ARG HA H 97 4.552 4.552 4.829 -0.277 18728 18812 1 19 . 1 1 97 97 ARG CA C 97 54.096 54.096 52.081 2.015 18728 18813 1 19 . 1 1 97 97 ARG CB C 97 30.115 30.115 29.674 0.441 18728 18814 1 19 . 1 1 97 97 ARG H H 97 8.029 8.029 7.647 0.382 18728 18815 1 19 . 1 1 98 98 PRO HA H 98 4.362 4.362 4.369 -0.007 18728 18816 1 19 . 1 1 98 98 PRO C C 98 177.715 177.715 177.695 0.020 18728 18817 1 19 . 1 1 98 98 PRO CA C 98 63.592 63.592 63.754 -0.162 18728 18818 1 19 . 1 1 98 98 PRO CB C 98 31.955 31.955 31.728 0.227 18728 18819 1 19 . 1 1 99 99 GLY N N 99 109.572 109.572 111.901 -2.329 18728 18820 1 19 . 1 1 99 99 GLY C C 99 174.356 174.356 174.709 -0.353 18728 18821 1 19 . 1 1 99 99 GLY CA C 99 45.395 45.395 45.023 0.372 18728 18822 1 19 . 1 1 99 99 GLY H H 99 8.516 8.516 8.380 0.136 18728 18823 1 19 . 1 1 100 100 ALA N N 100 123.418 123.418 123.567 -0.149 18728 18824 1 19 . 1 1 100 100 ALA HA H 100 4.141 4.141 4.044 0.097 18728 18825 1 19 . 1 1 100 100 ALA CA C 100 53.160 53.160 53.754 -0.594 18728 18826 1 19 . 1 1 100 100 ALA CB C 100 19.185 19.185 19.404 -0.219 18728 18827 1 19 . 1 1 100 100 ALA H H 100 8.015 8.015 7.292 0.723 18728 18828 1 19 . 1 1 101 101 HIS HA H 101 4.502 4.502 4.543 -0.041 18728 18829 1 19 . 1 1 101 101 HIS C C 101 175.102 175.102 174.694 0.408 18728 18830 1 19 . 1 1 101 101 HIS CA C 101 56.309 56.309 53.992 2.317 18728 18831 1 19 . 1 1 101 101 HIS CB C 101 30.450 30.450 29.079 1.371 18728 18832 1 19 . 1 1 102 102 LEU N N 102 122.495 122.495 119.587 2.908 18728 18833 1 19 . 1 1 102 102 LEU HA H 102 4.263 4.263 4.325 -0.062 18728 18834 1 19 . 1 1 102 102 LEU C C 102 177.020 177.020 176.944 0.076 18728 18835 1 19 . 1 1 102 102 LEU CA C 102 54.934 54.934 54.233 0.702 18728 18836 1 19 . 1 1 102 102 LEU CB C 102 42.414 42.414 43.130 -0.716 18728 18837 1 19 . 1 1 102 102 LEU H H 102 7.774 7.774 6.961 0.813 18728 18838 1 19 . 1 1 103 103 THR N N 103 115.720 115.720 118.275 -2.555 18728 18839 1 19 . 1 1 103 103 THR HA H 103 4.220 4.220 4.107 0.113 18728 18840 1 19 . 1 1 103 103 THR C C 103 174.185 174.185 173.874 0.311 18728 18841 1 19 . 1 1 103 103 THR CA C 103 60.917 60.917 62.830 -1.913 18728 18842 1 19 . 1 1 103 103 THR CB C 103 69.340 69.340 67.892 1.448 18728 18843 1 19 . 1 1 103 103 THR H H 103 8.001 8.001 8.459 -0.458 18728 18844 1 19 . 1 1 104 104 VAL N N 104 122.004 122.004 126.070 -4.066 18728 18845 1 19 . 1 1 104 104 VAL HA H 104 4.330 4.330 4.272 0.058 18728 18846 1 19 . 1 1 104 104 VAL C C 104 175.294 175.294 175.365 -0.071 18728 18847 1 19 . 1 1 104 104 VAL CA C 104 61.877 61.877 61.394 0.483 18728 18848 1 19 . 1 1 104 104 VAL CB C 104 34.220 34.220 32.321 1.899 18728 18849 1 19 . 1 1 104 104 VAL H H 104 8.191 8.191 7.927 0.264 18728 18850 1 19 . 1 1 105 105 LYS N N 105 121.406 121.406 125.306 -3.900 18728 18851 1 19 . 1 1 105 105 LYS HA H 105 4.498 4.498 4.553 -0.055 18728 18852 1 19 . 1 1 105 105 LYS C C 105 173.482 173.482 175.607 -2.125 18728 18853 1 19 . 1 1 105 105 LYS CA C 105 56.433 56.433 55.847 0.586 18728 18854 1 19 . 1 1 105 105 LYS CB C 105 33.245 33.245 33.178 0.067 18728 18855 1 19 . 1 1 105 105 LYS H H 105 8.672 8.672 8.752 -0.080 18728 18856 1 19 . 1 1 106 106 LYS N N 106 121.756 121.756 119.568 2.188 18728 18857 1 19 . 1 1 106 106 LYS HA H 106 5.623 5.623 5.377 0.246 18728 18858 1 19 . 1 1 106 106 LYS C C 106 175.153 175.153 175.442 -0.289 18728 18859 1 19 . 1 1 106 106 LYS CA C 106 54.537 54.537 54.888 -0.351 18728 18860 1 19 . 1 1 106 106 LYS CB C 106 37.407 37.407 35.932 1.475 18728 18861 1 19 . 1 1 106 106 LYS H H 106 7.134 7.134 7.793 -0.659 18728 18862 1 19 . 1 1 107 107 ILE N N 107 115.982 115.982 118.493 -2.511 18728 18863 1 19 . 1 1 107 107 ILE HA H 107 5.110 5.110 5.173 -0.063 18728 18864 1 19 . 1 1 107 107 ILE C C 107 174.525 174.525 173.849 0.676 18728 18865 1 19 . 1 1 107 107 ILE CA C 107 59.009 59.009 59.253 -0.244 18728 18866 1 19 . 1 1 107 107 ILE CB C 107 40.552 40.552 41.703 -1.151 18728 18867 1 19 . 1 1 107 107 ILE H H 107 8.948 8.948 8.349 0.599 18728 18868 1 19 . 1 1 108 108 PHE N N 108 124.182 124.182 124.079 0.103 18728 18869 1 19 . 1 1 108 108 PHE HA H 108 4.696 4.696 4.657 0.039 18728 18870 1 19 . 1 1 108 108 PHE C C 108 173.422 173.422 173.412 0.010 18728 18871 1 19 . 1 1 108 108 PHE CA C 108 56.567 56.567 56.101 0.466 18728 18872 1 19 . 1 1 108 108 PHE CB C 108 41.596 41.596 41.812 -0.216 18728 18873 1 19 . 1 1 108 108 PHE H H 108 9.103 9.103 9.063 0.040 18728 18874 1 19 . 1 1 109 109 VAL N N 109 126.956 126.956 126.428 0.528 18728 18875 1 19 . 1 1 109 109 VAL HA H 109 4.497 4.497 4.799 -0.302 18728 18876 1 19 . 1 1 109 109 VAL C C 109 174.097 174.097 174.187 -0.090 18728 18877 1 19 . 1 1 109 109 VAL CA C 109 60.493 60.493 59.858 0.635 18728 18878 1 19 . 1 1 109 109 VAL CB C 109 33.266 33.266 32.825 0.441 18728 18879 1 19 . 1 1 109 109 VAL H H 109 8.338 8.338 8.154 0.184 18728 18880 1 19 . 1 1 110 110 GLY N N 110 113.617 113.617 112.767 0.850 18728 18881 1 19 . 1 1 110 110 GLY C C 110 174.325 174.325 173.416 0.909 18728 18882 1 19 . 1 1 110 110 GLY CA C 110 44.011 44.011 43.439 0.572 18728 18883 1 19 . 1 1 110 110 GLY H H 110 9.173 9.173 8.631 0.542 18728 18884 1 19 . 1 1 111 111 GLY N N 111 106.411 106.411 108.861 -2.450 18728 18885 1 19 . 1 1 111 111 GLY CA C 111 46.359 46.359 45.137 1.222 18728 18886 1 19 . 1 1 111 111 GLY H H 111 8.221 8.221 8.466 -0.245 18728 18887 1 19 . 1 1 116 116 THR HA H 116 4.322 4.322 4.714 -0.392 18728 18888 1 19 . 1 1 116 116 THR C C 116 173.380 173.380 174.066 -0.686 18728 18889 1 19 . 1 1 116 116 THR CA C 116 63.000 63.000 62.460 0.540 18728 18890 1 19 . 1 1 117 117 GLU N N 117 130.298 130.298 124.362 5.936 18728 18891 1 19 . 1 1 117 117 GLU HA H 117 4.632 4.632 4.583 0.049 18728 18892 1 19 . 1 1 117 117 GLU C C 117 177.632 177.632 176.557 1.075 18728 18893 1 19 . 1 1 117 117 GLU CA C 117 53.853 53.853 53.953 -0.100 18728 18894 1 19 . 1 1 117 117 GLU CB C 117 32.977 32.977 31.658 1.319 18728 18895 1 19 . 1 1 117 117 GLU H H 117 11.190 11.190 8.087 3.103 18728 18896 1 19 . 1 1 118 118 GLU N N 118 122.126 122.126 120.435 1.691 18728 18897 1 19 . 1 1 118 118 GLU HA H 118 3.627 3.627 3.969 -0.342 18728 18898 1 19 . 1 1 118 118 GLU C C 118 179.294 179.294 178.260 1.034 18728 18899 1 19 . 1 1 118 118 GLU CA C 118 61.689 61.689 60.091 1.598 18728 18900 1 19 . 1 1 118 118 GLU CB C 118 29.075 29.075 29.544 -0.469 18728 18901 1 19 . 1 1 118 118 GLU H H 118 9.339 9.339 8.973 0.366 18728 18902 1 19 . 1 1 119 119 HIS N N 119 113.514 113.514 115.864 -2.350 18728 18903 1 19 . 1 1 119 119 HIS HA H 119 4.265 4.265 4.314 -0.049 18728 18904 1 19 . 1 1 119 119 HIS C C 119 176.566 176.566 177.798 -1.232 18728 18905 1 19 . 1 1 119 119 HIS CA C 119 58.917 58.917 59.679 -0.762 18728 18906 1 19 . 1 1 119 119 HIS CB C 119 28.187 28.187 29.623 -1.436 18728 18907 1 19 . 1 1 119 119 HIS H H 119 8.240 8.240 8.832 -0.592 18728 18908 1 19 . 1 1 120 120 HIS N N 120 118.629 118.629 118.871 -0.242 18728 18909 1 19 . 1 1 120 120 HIS HA H 120 4.332 4.332 4.338 -0.006 18728 18910 1 19 . 1 1 120 120 HIS C C 120 179.713 179.713 177.388 2.325 18728 18911 1 19 . 1 1 120 120 HIS CA C 120 60.310 60.310 58.533 1.777 18728 18912 1 19 . 1 1 120 120 HIS CB C 120 32.233 32.233 30.296 1.937 18728 18913 1 19 . 1 1 120 120 HIS H H 120 6.474 6.474 7.540 -1.066 18728 18914 1 19 . 1 1 121 121 LEU N N 121 117.249 117.249 116.184 1.065 18728 18915 1 19 . 1 1 121 121 LEU HA H 121 4.179 4.179 4.487 -0.308 18728 18916 1 19 . 1 1 121 121 LEU C C 121 178.020 178.020 178.425 -0.405 18728 18917 1 19 . 1 1 121 121 LEU CA C 121 57.924 57.924 57.997 -0.073 18728 18918 1 19 . 1 1 121 121 LEU CB C 121 42.577 42.577 41.358 1.219 18728 18919 1 19 . 1 1 121 121 LEU H H 121 7.132 7.132 7.725 -0.593 18728 18920 1 19 . 1 1 122 122 ARG N N 122 121.766 121.766 120.917 0.849 18728 18921 1 19 . 1 1 122 122 ARG HA H 122 3.741 3.741 4.036 -0.295 18728 18922 1 19 . 1 1 122 122 ARG C C 122 177.023 177.023 177.995 -0.972 18728 18923 1 19 . 1 1 122 122 ARG CA C 122 60.508 60.508 60.110 0.398 18728 18924 1 19 . 1 1 122 122 ARG CB C 122 30.256 30.256 29.860 0.396 18728 18925 1 19 . 1 1 122 122 ARG H H 122 8.759 8.759 9.025 -0.267 18728 18926 1 19 . 1 1 123 123 ASP N N 123 116.299 116.299 117.786 -1.487 18728 18927 1 19 . 1 1 123 123 ASP HA H 123 4.294 4.294 4.445 -0.151 18728 18928 1 19 . 1 1 123 123 ASP C C 123 178.057 178.057 177.679 0.378 18728 18929 1 19 . 1 1 123 123 ASP CA C 123 57.076 57.076 57.237 -0.161 18728 18930 1 19 . 1 1 123 123 ASP CB C 123 40.572 40.572 40.832 -0.260 18728 18931 1 19 . 1 1 123 123 ASP H H 123 8.423 8.423 7.871 0.552 18728 18932 1 19 . 1 1 124 124 TYR N N 124 115.172 115.172 119.478 -4.306 18728 18933 1 19 . 1 1 124 124 TYR HA H 124 4.338 4.338 4.283 0.055 18728 18934 1 19 . 1 1 124 124 TYR C C 124 177.688 177.688 177.762 -0.074 18728 18935 1 19 . 1 1 124 124 TYR CA C 124 61.660 61.660 61.126 0.534 18728 18936 1 19 . 1 1 124 124 TYR CB C 124 39.847 39.847 39.073 0.774 18728 18937 1 19 . 1 1 124 124 TYR H H 124 7.212 7.212 7.481 -0.269 18728 18938 1 19 . 1 1 125 125 PHE N N 125 113.932 113.932 117.987 -4.055 18728 18939 1 19 . 1 1 125 125 PHE HA H 125 4.515 4.515 4.376 0.139 18728 18940 1 19 . 1 1 125 125 PHE C C 125 178.209 178.209 178.275 -0.066 18728 18941 1 19 . 1 1 125 125 PHE CA C 125 63.404 63.404 61.610 1.794 18728 18942 1 19 . 1 1 125 125 PHE CB C 125 38.614 38.614 38.672 -0.058 18728 18943 1 19 . 1 1 125 125 PHE H H 125 8.802 8.802 9.080 -0.278 18728 18944 1 19 . 1 1 126 126 GLU N N 126 120.515 120.515 118.778 1.737 18728 18945 1 19 . 1 1 126 126 GLU HA H 126 4.884 4.884 4.634 0.250 18728 18946 1 19 . 1 1 126 126 GLU C C 126 177.936 177.936 177.340 0.596 18728 18947 1 19 . 1 1 126 126 GLU CA C 126 58.560 58.560 57.901 0.659 18728 18948 1 19 . 1 1 126 126 GLU CB C 126 28.516 28.516 29.249 -0.733 18728 18949 1 19 . 1 1 126 126 GLU H H 126 8.869 8.869 8.131 0.738 18728 18950 1 19 . 1 1 127 127 GLN N N 127 115.855 115.855 116.410 -0.555 18728 18951 1 19 . 1 1 127 127 GLN HA H 127 4.055 4.055 4.018 0.037 18728 18952 1 19 . 1 1 127 127 GLN C C 127 176.656 176.656 177.792 -1.136 18728 18953 1 19 . 1 1 127 127 GLN CA C 127 57.566 57.566 57.804 -0.238 18728 18954 1 19 . 1 1 127 127 GLN CB C 127 29.047 29.047 28.759 0.288 18728 18955 1 19 . 1 1 127 127 GLN H H 127 7.105 7.105 7.611 -0.506 18728 18956 1 19 . 1 1 128 128 TYR N N 128 116.626 116.626 116.736 -0.110 18728 18957 1 19 . 1 1 128 128 TYR HA H 128 4.328 4.328 4.379 -0.051 18728 18958 1 19 . 1 1 128 128 TYR C C 128 175.596 175.596 175.265 0.331 18728 18959 1 19 . 1 1 128 128 TYR CA C 128 59.492 59.492 59.532 -0.040 18728 18960 1 19 . 1 1 128 128 TYR CB C 128 39.539 39.539 39.991 -0.452 18728 18961 1 19 . 1 1 128 128 TYR H H 128 7.950 7.950 7.848 0.102 18728 18962 1 19 . 1 1 129 129 GLY N N 129 107.386 107.386 102.756 4.630 18728 18963 1 19 . 1 1 129 129 GLY C C 129 170.407 170.407 172.073 -1.666 18728 18964 1 19 . 1 1 129 129 GLY CA C 129 44.819 44.819 45.120 -0.300 18728 18965 1 19 . 1 1 129 129 GLY H H 129 7.492 7.492 7.533 -0.041 18728 18966 1 19 . 1 1 130 130 LYS N N 130 117.786 117.786 121.597 -3.811 18728 18967 1 19 . 1 1 130 130 LYS HA H 130 4.315 4.315 4.376 -0.061 18728 18968 1 19 . 1 1 130 130 LYS C C 130 177.097 177.097 175.784 1.313 18728 18969 1 19 . 1 1 130 130 LYS CA C 130 56.938 56.938 56.224 0.715 18728 18970 1 19 . 1 1 130 130 LYS CB C 130 33.199 33.199 33.383 -0.184 18728 18971 1 19 . 1 1 130 130 LYS H H 130 8.135 8.135 8.610 -0.475 18728 18972 1 19 . 1 1 131 131 ILE N N 131 127.829 127.829 127.179 0.650 18728 18973 1 19 . 1 1 131 131 ILE HA H 131 3.681 3.681 3.990 -0.309 18728 18974 1 19 . 1 1 131 131 ILE C C 131 175.841 175.841 176.151 -0.310 18728 18975 1 19 . 1 1 131 131 ILE CA C 131 61.625 61.625 60.712 0.913 18728 18976 1 19 . 1 1 131 131 ILE CB C 131 40.441 40.441 39.300 1.141 18728 18977 1 19 . 1 1 131 131 ILE H H 131 8.917 8.917 8.474 0.443 18728 18978 1 19 . 1 1 132 132 GLU N N 132 128.437 128.437 126.627 1.810 18728 18979 1 19 . 1 1 132 132 GLU HA H 132 4.320 4.320 4.349 -0.029 18728 18980 1 19 . 1 1 132 132 GLU C C 132 176.192 176.192 176.232 -0.040 18728 18981 1 19 . 1 1 132 132 GLU CA C 132 57.816 57.816 57.921 -0.105 18728 18982 1 19 . 1 1 132 132 GLU CB C 132 31.670 31.670 30.934 0.736 18728 18983 1 19 . 1 1 132 132 GLU H H 132 9.136 9.136 8.807 0.329 18728 18984 1 19 . 1 1 133 133 VAL N N 133 115.096 115.096 117.139 -2.043 18728 18985 1 19 . 1 1 133 133 VAL HA H 133 4.316 4.316 4.251 0.065 18728 18986 1 19 . 1 1 133 133 VAL C C 133 172.860 172.860 173.613 -0.753 18728 18987 1 19 . 1 1 133 133 VAL CA C 133 61.258 61.258 60.619 0.639 18728 18988 1 19 . 1 1 133 133 VAL CB C 133 35.526 35.526 35.509 0.017 18728 18989 1 19 . 1 1 133 133 VAL H H 133 7.272 7.272 7.477 -0.205 18728 18990 1 19 . 1 1 134 134 ILE N N 134 126.870 126.870 124.995 1.875 18728 18991 1 19 . 1 1 134 134 ILE HA H 134 4.464 4.464 4.297 0.167 18728 18992 1 19 . 1 1 134 134 ILE C C 134 174.004 174.004 174.863 -0.859 18728 18993 1 19 . 1 1 134 134 ILE CA C 134 60.904 60.904 60.281 0.623 18728 18994 1 19 . 1 1 134 134 ILE CB C 134 40.408 40.408 39.865 0.543 18728 18995 1 19 . 1 1 134 134 ILE H H 134 8.566 8.566 8.602 -0.036 18728 18996 1 19 . 1 1 135 135 GLU N N 135 128.037 128.037 128.615 -0.578 18728 18997 1 19 . 1 1 135 135 GLU HA H 135 4.642 4.642 4.637 0.005 18728 18998 1 19 . 1 1 135 135 GLU C C 135 174.883 174.883 175.233 -0.350 18728 18999 1 19 . 1 1 135 135 GLU CA C 135 54.640 54.640 55.215 -0.575 18728 19000 1 19 . 1 1 135 135 GLU CB C 135 33.259 33.259 30.571 2.688 18728 19001 1 19 . 1 1 135 135 GLU H H 135 9.019 9.019 8.546 0.473 18728 19002 1 19 . 1 1 136 136 ILE N N 136 126.668 126.668 125.184 1.484 18728 19003 1 19 . 1 1 136 136 ILE HA H 136 3.898 3.898 4.238 -0.340 18728 19004 1 19 . 1 1 136 136 ILE C C 136 176.157 176.157 175.178 0.979 18728 19005 1 19 . 1 1 136 136 ILE CA C 136 61.336 61.336 60.005 1.331 18728 19006 1 19 . 1 1 136 136 ILE CB C 136 37.397 37.397 37.939 -0.542 18728 19007 1 19 . 1 1 136 136 ILE H H 136 8.967 8.967 8.516 0.451 18728 19008 1 19 . 1 1 137 137 MET N N 137 126.115 126.115 126.893 -0.778 18728 19009 1 19 . 1 1 137 137 MET HA H 137 4.679 4.679 4.731 -0.052 18728 19010 1 19 . 1 1 137 137 MET C C 137 176.723 176.723 175.463 1.260 18728 19011 1 19 . 1 1 137 137 MET CA C 137 55.163 55.163 52.794 2.369 18728 19012 1 19 . 1 1 137 137 MET CB C 137 30.841 30.841 32.852 -2.011 18728 19013 1 19 . 1 1 137 137 MET H H 137 7.656 7.656 8.271 -0.615 18728 19014 1 19 . 1 1 138 138 THR N N 138 116.735 116.735 114.465 2.270 18728 19015 1 19 . 1 1 138 138 THR HA H 138 4.746 4.746 4.485 0.261 18728 19016 1 19 . 1 1 138 138 THR C C 138 173.642 173.642 173.983 -0.341 18728 19017 1 19 . 1 1 138 138 THR CA C 138 60.385 60.385 60.872 -0.487 18728 19018 1 19 . 1 1 138 138 THR CB C 138 72.028 72.028 70.043 1.985 18728 19019 1 19 . 1 1 138 138 THR H H 138 8.551 8.551 8.293 0.258 18728 19020 1 19 . 1 1 139 139 ASP N N 139 123.899 123.899 124.094 -0.195 18728 19021 1 19 . 1 1 139 139 ASP HA H 139 4.677 4.677 4.520 0.157 18728 19022 1 19 . 1 1 139 139 ASP CA C 139 53.728 53.728 54.564 -0.836 18728 19023 1 19 . 1 1 139 139 ASP CB C 139 42.270 42.270 42.497 -0.227 18728 19024 1 19 . 1 1 139 139 ASP H H 139 8.818 8.818 8.644 0.174 18728 19025 1 19 . 1 1 140 140 ARG HA H 140 4.037 4.037 4.156 -0.119 18728 19026 1 19 . 1 1 140 140 ARG C C 140 177.886 177.886 177.254 0.632 18728 19027 1 19 . 1 1 140 140 ARG CB C 140 29.886 29.886 30.365 -0.479 18728 19028 1 19 . 1 1 141 141 GLY N N 141 107.951 107.951 107.038 0.913 18728 19029 1 19 . 1 1 141 141 GLY C C 141 174.861 174.861 175.644 -0.783 18728 19030 1 19 . 1 1 141 141 GLY CA C 141 46.490 46.490 46.050 0.440 18728 19031 1 19 . 1 1 141 141 GLY H H 141 8.635 8.635 8.155 0.480 18728 19032 1 19 . 1 1 142 142 SER N N 142 114.044 114.044 116.266 -2.222 18728 19033 1 19 . 1 1 142 142 SER HA H 142 4.533 4.533 4.527 0.006 18728 19034 1 19 . 1 1 142 142 SER C C 142 176.080 176.080 175.179 0.901 18728 19035 1 19 . 1 1 142 142 SER CA C 142 58.429 58.429 58.660 -0.231 18728 19036 1 19 . 1 1 142 142 SER CB C 142 65.439 65.439 64.168 1.271 18728 19037 1 19 . 1 1 142 142 SER H H 142 8.034 8.034 9.002 -0.968 18728 19038 1 19 . 1 1 143 143 GLY N N 143 112.348 112.348 108.806 3.542 18728 19039 1 19 . 1 1 143 143 GLY C C 143 173.949 173.949 173.613 0.336 18728 19040 1 19 . 1 1 143 143 GLY CA C 143 45.703 45.703 45.653 0.050 18728 19041 1 19 . 1 1 143 143 GLY H H 143 8.363 8.363 7.958 0.405 18728 19042 1 19 . 1 1 144 144 LYS N N 144 119.966 119.966 119.507 0.459 18728 19043 1 19 . 1 1 144 144 LYS HA H 144 4.273 4.273 4.512 -0.239 18728 19044 1 19 . 1 1 144 144 LYS C C 144 176.969 176.969 176.158 0.811 18728 19045 1 19 . 1 1 144 144 LYS CA C 144 56.145 56.145 53.899 2.246 18728 19046 1 19 . 1 1 144 144 LYS CB C 144 33.378 33.378 33.647 -0.269 18728 19047 1 19 . 1 1 144 144 LYS H H 144 7.786 7.786 7.773 0.013 18728 19048 1 19 . 1 1 145 145 LYS N N 145 123.668 123.668 123.163 0.505 18728 19049 1 19 . 1 1 145 145 LYS HA H 145 4.187 4.187 4.327 -0.140 18728 19050 1 19 . 1 1 145 145 LYS C C 145 177.498 177.498 175.741 1.757 18728 19051 1 19 . 1 1 145 145 LYS CA C 145 57.392 57.392 56.591 0.801 18728 19052 1 19 . 1 1 145 145 LYS CB C 145 32.577 32.577 30.711 1.866 18728 19053 1 19 . 1 1 145 145 LYS H H 145 8.968 8.968 8.707 0.261 18728 19054 1 19 . 1 1 146 146 ARG N N 146 119.700 119.700 119.831 -0.131 18728 19055 1 19 . 1 1 146 146 ARG HA H 146 4.294 4.294 4.365 -0.071 18728 19056 1 19 . 1 1 146 146 ARG CA C 146 56.365 56.365 55.114 1.251 18728 19057 1 19 . 1 1 146 146 ARG CB C 146 30.786 30.786 33.405 -2.619 18728 19058 1 19 . 1 1 146 146 ARG H H 146 8.095 8.095 7.969 0.126 18728 19059 1 19 . 1 1 147 147 GLY N N 147 110.572 110.572 107.701 2.871 18728 19060 1 19 . 1 1 147 147 GLY C C 147 173.384 173.384 172.682 0.702 18728 19061 1 19 . 1 1 147 147 GLY CA C 147 45.440 45.440 45.711 -0.271 18728 19062 1 19 . 1 1 147 147 GLY H H 147 8.401 8.401 9.086 -0.685 18728 19063 1 19 . 1 1 148 148 PHE N N 148 114.199 114.199 116.127 -1.928 18728 19064 1 19 . 1 1 148 148 PHE HA H 148 5.194 5.194 5.269 -0.075 18728 19065 1 19 . 1 1 148 148 PHE C C 148 172.409 172.409 172.710 -0.301 18728 19066 1 19 . 1 1 148 148 PHE CA C 148 55.282 55.282 55.683 -0.401 18728 19067 1 19 . 1 1 148 148 PHE CB C 148 41.869 41.869 40.857 1.012 18728 19068 1 19 . 1 1 148 148 PHE H H 148 7.255 7.255 6.935 0.320 18728 19069 1 19 . 1 1 149 149 ALA N N 149 121.427 121.427 120.461 0.966 18728 19070 1 19 . 1 1 149 149 ALA HA H 149 4.966 4.966 4.778 0.188 18728 19071 1 19 . 1 1 149 149 ALA C C 149 174.084 174.084 174.369 -0.285 18728 19072 1 19 . 1 1 149 149 ALA CA C 149 49.755 49.755 50.713 -0.958 18728 19073 1 19 . 1 1 149 149 ALA CB C 149 25.094 25.094 22.699 2.395 18728 19074 1 19 . 1 1 149 149 ALA H H 149 8.786 8.786 8.832 -0.046 18728 19075 1 19 . 1 1 150 150 PHE N N 150 114.425 114.425 115.928 -1.503 18728 19076 1 19 . 1 1 150 150 PHE HA H 150 5.874 5.874 5.468 0.406 18728 19077 1 19 . 1 1 150 150 PHE C C 150 176.196 176.196 174.415 1.781 18728 19078 1 19 . 1 1 150 150 PHE CA C 150 56.070 56.070 57.296 -1.226 18728 19079 1 19 . 1 1 150 150 PHE CB C 150 43.251 43.251 44.434 -1.183 18728 19080 1 19 . 1 1 150 150 PHE H H 150 8.689 8.689 9.028 -0.339 18728 19081 1 19 . 1 1 151 151 VAL N N 151 122.489 122.489 121.013 1.476 18728 19082 1 19 . 1 1 151 151 VAL HA H 151 4.375 4.375 4.490 -0.115 18728 19083 1 19 . 1 1 151 151 VAL C C 151 173.932 173.932 173.705 0.227 18728 19084 1 19 . 1 1 151 151 VAL CA C 151 61.454 61.454 60.887 0.567 18728 19085 1 19 . 1 1 151 151 VAL CB C 151 33.869 33.869 35.784 -1.915 18728 19086 1 19 . 1 1 151 151 VAL H H 151 8.559 8.559 8.471 0.088 18728 19087 1 19 . 1 1 152 152 THR N N 152 123.112 123.112 125.493 -2.381 18728 19088 1 19 . 1 1 152 152 THR HA H 152 4.995 4.995 4.870 0.125 18728 19089 1 19 . 1 1 152 152 THR C C 152 174.047 174.047 173.498 0.549 18728 19090 1 19 . 1 1 152 152 THR CA C 152 61.931 61.931 62.257 -0.326 18728 19091 1 19 . 1 1 152 152 THR CB C 152 69.689 69.689 69.697 -0.008 18728 19092 1 19 . 1 1 152 152 THR H H 152 8.723 8.723 8.745 -0.022 18728 19093 1 19 . 1 1 153 153 PHE N N 153 127.746 127.746 126.313 1.433 18728 19094 1 19 . 1 1 153 153 PHE HA H 153 4.840 4.840 4.636 0.204 18728 19095 1 19 . 1 1 153 153 PHE C C 153 174.720 174.720 175.040 -0.320 18728 19096 1 19 . 1 1 153 153 PHE CA C 153 58.098 58.098 58.296 -0.198 18728 19097 1 19 . 1 1 153 153 PHE CB C 153 41.706 41.706 41.441 0.265 18728 19098 1 19 . 1 1 153 153 PHE H H 153 9.368 9.368 9.074 0.294 18728 19099 1 19 . 1 1 154 154 ASP N N 154 118.371 118.371 120.556 -2.185 18728 19100 1 19 . 1 1 154 154 ASP HA H 154 4.486 4.486 4.585 -0.099 18728 19101 1 19 . 1 1 154 154 ASP C C 154 175.668 175.668 175.499 0.169 18728 19102 1 19 . 1 1 154 154 ASP CA C 154 56.114 56.114 56.497 -0.383 18728 19103 1 19 . 1 1 154 154 ASP CB C 154 42.576 42.576 42.671 -0.095 18728 19104 1 19 . 1 1 154 154 ASP H H 154 8.196 8.196 9.187 -0.991 18728 19105 1 19 . 1 1 155 155 ASP N N 155 117.144 117.144 115.063 2.081 18728 19106 1 19 . 1 1 155 155 ASP HA H 155 4.909 4.909 4.863 0.046 18728 19107 1 19 . 1 1 155 155 ASP C C 155 176.392 176.392 175.774 0.618 18728 19108 1 19 . 1 1 155 155 ASP CA C 155 52.615 52.615 52.131 0.484 18728 19109 1 19 . 1 1 155 155 ASP CB C 155 44.471 44.471 44.057 0.414 18728 19110 1 19 . 1 1 155 155 ASP H H 155 8.323 8.323 7.835 0.488 18728 19111 1 19 . 1 1 156 156 HIS N N 156 121.508 121.508 119.181 2.327 18728 19112 1 19 . 1 1 156 156 HIS HA H 156 4.336 4.336 4.643 -0.307 18728 19113 1 19 . 1 1 156 156 HIS C C 156 176.855 176.855 176.461 0.394 18728 19114 1 19 . 1 1 156 156 HIS CA C 156 58.593 58.593 57.300 1.293 18728 19115 1 19 . 1 1 156 156 HIS CB C 156 29.703 29.703 30.179 -0.476 18728 19116 1 19 . 1 1 156 156 HIS H H 156 8.492 8.492 8.399 0.093 18728 19117 1 19 . 1 1 157 157 ASP N N 157 122.539 122.539 120.160 2.379 18728 19118 1 19 . 1 1 157 157 ASP HA H 157 4.254 4.254 4.209 0.045 18728 19119 1 19 . 1 1 157 157 ASP C C 157 178.233 178.233 177.891 0.342 18728 19120 1 19 . 1 1 157 157 ASP CA C 157 57.047 57.047 57.705 -0.658 18728 19121 1 19 . 1 1 157 157 ASP CB C 157 40.875 40.875 40.461 0.414 18728 19122 1 19 . 1 1 157 157 ASP H H 157 8.345 8.345 7.962 0.383 18728 19123 1 19 . 1 1 158 158 SER N N 158 113.623 113.623 114.327 -0.704 18728 19124 1 19 . 1 1 158 158 SER HA H 158 3.899 3.899 4.053 -0.154 18728 19125 1 19 . 1 1 158 158 SER C C 158 174.750 174.750 175.738 -0.988 18728 19126 1 19 . 1 1 158 158 SER CA C 158 61.914 61.914 61.421 0.493 18728 19127 1 19 . 1 1 158 158 SER CB C 158 63.088 63.088 62.198 0.890 18728 19128 1 19 . 1 1 158 158 SER H H 158 7.424 7.424 8.295 -0.871 18728 19129 1 19 . 1 1 159 159 VAL N N 159 118.448 118.448 122.486 -4.038 18728 19130 1 19 . 1 1 159 159 VAL HA H 159 2.913 2.913 3.449 -0.536 18728 19131 1 19 . 1 1 159 159 VAL C C 159 177.269 177.269 177.450 -0.181 18728 19132 1 19 . 1 1 159 159 VAL CA C 159 66.512 66.512 66.125 0.387 18728 19133 1 19 . 1 1 159 159 VAL CB C 159 31.395 31.395 31.652 -0.257 18728 19134 1 19 . 1 1 159 159 VAL H H 159 6.484 6.484 6.900 -0.416 18728 19135 1 19 . 1 1 160 160 ASP N N 160 119.064 119.064 120.328 -1.264 18728 19136 1 19 . 1 1 160 160 ASP HA H 160 4.275 4.275 4.396 -0.121 18728 19137 1 19 . 1 1 160 160 ASP C C 160 178.284 178.284 178.736 -0.452 18728 19138 1 19 . 1 1 160 160 ASP CA C 160 57.798 57.798 57.200 0.598 18728 19139 1 19 . 1 1 160 160 ASP CB C 160 40.288 40.288 40.475 -0.187 18728 19140 1 19 . 1 1 160 160 ASP H H 160 7.663 7.663 8.498 -0.835 18728 19141 1 19 . 1 1 161 161 LYS N N 161 116.568 116.568 118.959 -2.391 18728 19142 1 19 . 1 1 161 161 LYS HA H 161 4.030 4.030 4.072 -0.042 18728 19143 1 19 . 1 1 161 161 LYS C C 161 178.205 178.205 178.426 -0.221 18728 19144 1 19 . 1 1 161 161 LYS CA C 161 58.796 58.796 59.373 -0.577 18728 19145 1 19 . 1 1 161 161 LYS CB C 161 33.298 33.298 32.677 0.621 18728 19146 1 19 . 1 1 161 161 LYS H H 161 7.465 7.465 7.643 -0.178 18728 19147 1 19 . 1 1 162 162 ILE N N 162 119.457 119.457 117.288 2.169 18728 19148 1 19 . 1 1 162 162 ILE HA H 162 3.241 3.241 3.650 -0.409 18728 19149 1 19 . 1 1 162 162 ILE C C 162 179.129 179.129 177.762 1.367 18728 19150 1 19 . 1 1 162 162 ILE CA C 162 65.201 65.201 64.135 1.066 18728 19151 1 19 . 1 1 162 162 ILE CB C 162 39.170 39.170 38.137 1.033 18728 19152 1 19 . 1 1 162 162 ILE H H 162 7.367 7.367 6.978 0.389 18728 19153 1 19 . 1 1 163 163 VAL N N 163 109.705 109.705 115.940 -6.235 18728 19154 1 19 . 1 1 163 163 VAL HA H 163 4.093 4.093 4.056 0.037 18728 19155 1 19 . 1 1 163 163 VAL C C 163 176.685 176.685 176.582 0.103 18728 19156 1 19 . 1 1 163 163 VAL CA C 163 64.137 64.137 64.440 -0.303 18728 19157 1 19 . 1 1 163 163 VAL CB C 163 30.720 30.720 31.506 -0.786 18728 19158 1 19 . 1 1 163 163 VAL H H 163 7.814 7.814 7.950 -0.136 18728 19159 1 19 . 1 1 164 164 ILE N N 164 118.885 118.885 119.661 -0.776 18728 19160 1 19 . 1 1 164 164 ILE HA H 164 3.968 3.968 3.936 0.032 18728 19161 1 19 . 1 1 164 164 ILE C C 164 176.006 176.006 176.155 -0.149 18728 19162 1 19 . 1 1 164 164 ILE CA C 164 63.328 63.328 63.705 -0.377 18728 19163 1 19 . 1 1 164 164 ILE CB C 164 38.136 38.136 38.376 -0.240 18728 19164 1 19 . 1 1 164 164 ILE H H 164 6.979 6.979 7.273 -0.294 18728 19165 1 19 . 1 1 165 165 GLN N N 165 120.509 120.509 117.404 3.105 18728 19166 1 19 . 1 1 165 165 GLN HA H 165 4.472 4.472 4.560 -0.088 18728 19167 1 19 . 1 1 165 165 GLN C C 165 174.808 174.808 175.383 -0.575 18728 19168 1 19 . 1 1 165 165 GLN CA C 165 54.743 54.743 54.984 -0.242 18728 19169 1 19 . 1 1 165 165 GLN CB C 165 30.183 30.183 29.999 0.184 18728 19170 1 19 . 1 1 165 165 GLN H H 165 7.490 7.490 7.651 -0.161 18728 19171 1 19 . 1 1 166 166 LYS N N 166 122.953 122.953 120.345 2.608 18728 19172 1 19 . 1 1 166 166 LYS HA H 166 3.992 3.992 4.260 -0.268 18728 19173 1 19 . 1 1 166 166 LYS C C 166 175.496 175.496 175.322 0.174 18728 19174 1 19 . 1 1 166 166 LYS CA C 166 59.718 59.718 57.112 2.606 18728 19175 1 19 . 1 1 166 166 LYS CB C 166 33.115 33.115 33.866 -0.751 18728 19176 1 19 . 1 1 166 166 LYS H H 166 8.085 8.085 8.691 -0.606 18728 19177 1 19 . 1 1 167 167 TYR N N 167 114.210 114.210 115.744 -1.534 18728 19178 1 19 . 1 1 167 167 TYR HA H 167 5.457 5.457 5.432 0.025 18728 19179 1 19 . 1 1 167 167 TYR C C 167 175.593 175.593 175.668 -0.075 18728 19180 1 19 . 1 1 167 167 TYR CA C 167 56.417 56.417 57.123 -0.706 18728 19181 1 19 . 1 1 167 167 TYR CB C 167 40.057 40.057 41.483 -1.426 18728 19182 1 19 . 1 1 167 167 TYR H H 167 7.740 7.740 7.779 -0.039 18728 19183 1 19 . 1 1 168 168 HIS N N 168 122.617 122.617 121.818 0.799 18728 19184 1 19 . 1 1 168 168 HIS HA H 168 4.526 4.526 5.044 -0.518 18728 19185 1 19 . 1 1 168 168 HIS C C 168 174.213 174.213 174.578 -0.365 18728 19186 1 19 . 1 1 168 168 HIS CA C 168 55.233 55.233 55.092 0.141 18728 19187 1 19 . 1 1 168 168 HIS CB C 168 34.906 34.906 34.430 0.476 18728 19188 1 19 . 1 1 168 168 HIS H H 168 9.035 9.035 9.430 -0.395 18728 19189 1 19 . 1 1 169 169 THR N N 169 121.981 121.981 120.625 1.356 18728 19190 1 19 . 1 1 169 169 THR HA H 169 4.722 4.722 4.758 -0.036 18728 19191 1 19 . 1 1 169 169 THR C C 169 172.973 172.973 173.425 -0.452 18728 19192 1 19 . 1 1 169 169 THR CA C 169 61.620 61.620 62.371 -0.751 18728 19193 1 19 . 1 1 169 169 THR CB C 169 68.692 68.692 69.011 -0.319 18728 19194 1 19 . 1 1 169 169 THR H H 169 8.784 8.784 8.538 0.246 18728 19195 1 19 . 1 1 170 170 VAL N N 170 125.540 125.540 126.479 -0.939 18728 19196 1 19 . 1 1 170 170 VAL HA H 170 3.751 3.751 3.837 -0.086 18728 19197 1 19 . 1 1 170 170 VAL C C 170 175.997 175.997 176.090 -0.093 18728 19198 1 19 . 1 1 170 170 VAL CA C 170 60.770 60.770 59.931 0.839 18728 19199 1 19 . 1 1 170 170 VAL CB C 170 34.216 34.216 34.039 0.177 18728 19200 1 19 . 1 1 170 170 VAL H H 170 8.268 8.268 8.718 -0.450 18728 19201 1 19 . 1 1 171 171 ASN N N 171 126.811 126.811 127.110 -0.299 18728 19202 1 19 . 1 1 171 171 ASN HA H 171 4.065 4.065 4.251 -0.186 18728 19203 1 19 . 1 1 171 171 ASN C C 171 174.266 174.266 175.266 -1.000 18728 19204 1 19 . 1 1 171 171 ASN CA C 171 53.184 53.184 53.803 -0.619 18728 19205 1 19 . 1 1 171 171 ASN CB C 171 37.436 37.436 37.720 -0.284 18728 19206 1 19 . 1 1 171 171 ASN H H 171 9.437 9.437 9.104 0.334 18728 19207 1 19 . 1 1 172 172 GLY N N 172 100.629 100.629 103.771 -3.142 18728 19208 1 19 . 1 1 172 172 GLY C C 172 173.335 173.335 173.695 -0.360 18728 19209 1 19 . 1 1 172 172 GLY CA C 172 45.154 45.154 45.525 -0.371 18728 19210 1 19 . 1 1 172 172 GLY H H 172 8.194 8.194 8.460 -0.266 18728 19211 1 19 . 1 1 173 173 HIS N N 173 119.555 119.555 120.274 -0.719 18728 19212 1 19 . 1 1 173 173 HIS HA H 173 4.860 4.860 4.744 0.116 18728 19213 1 19 . 1 1 173 173 HIS CA C 173 53.723 53.723 54.355 -0.632 18728 19214 1 19 . 1 1 173 173 HIS CB C 173 31.589 31.589 32.084 -0.495 18728 19215 1 19 . 1 1 173 173 HIS H H 173 7.657 7.657 7.922 -0.265 18728 19216 1 19 . 1 1 174 174 ASN N N 174 122.936 122.936 125.332 -2.396 18728 19217 1 19 . 1 1 174 174 ASN HA H 174 4.794 4.794 4.875 -0.081 18728 19218 1 19 . 1 1 174 174 ASN C C 174 174.918 174.918 174.260 0.658 18728 19219 1 19 . 1 1 174 174 ASN CA C 174 53.748 53.748 53.356 0.392 18728 19220 1 19 . 1 1 174 174 ASN CB C 174 38.185 38.185 38.629 -0.444 18728 19221 1 19 . 1 1 174 174 ASN H H 174 8.828 8.828 8.244 0.584 18728 19222 1 19 . 1 1 175 175 CYS N N 175 126.425 126.425 121.836 4.589 18728 19223 1 19 . 1 1 175 175 CYS HA H 175 4.872 4.872 4.877 -0.005 18728 19224 1 19 . 1 1 175 175 CYS C C 175 173.853 173.853 173.535 0.318 18728 19225 1 19 . 1 1 175 175 CYS CA C 175 59.380 59.380 55.786 3.594 18728 19226 1 19 . 1 1 175 175 CYS CB C 175 29.966 29.966 30.783 -0.817 18728 19227 1 19 . 1 1 175 175 CYS H H 175 9.078 9.078 8.903 0.175 18728 19228 1 19 . 1 1 176 176 GLU N N 176 124.488 124.488 121.193 3.295 18728 19229 1 19 . 1 1 176 176 GLU HA H 176 4.661 4.661 4.609 0.052 18728 19230 1 19 . 1 1 176 176 GLU C C 176 175.343 175.343 175.451 -0.108 18728 19231 1 19 . 1 1 176 176 GLU CA C 176 55.296 55.296 55.563 -0.267 18728 19232 1 19 . 1 1 176 176 GLU CB C 176 31.550 31.550 31.563 -0.013 18728 19233 1 19 . 1 1 176 176 GLU H H 176 8.161 8.161 9.051 -0.890 18728 19234 1 19 . 1 1 177 177 VAL N N 177 122.521 122.521 121.134 1.387 18728 19235 1 19 . 1 1 177 177 VAL HA H 177 5.628 5.628 5.641 -0.013 18728 19236 1 19 . 1 1 177 177 VAL C C 177 175.720 175.720 174.117 1.603 18728 19237 1 19 . 1 1 177 177 VAL CA C 177 59.713 59.713 59.054 0.659 18728 19238 1 19 . 1 1 177 177 VAL CB C 177 34.523 34.523 36.218 -1.695 18728 19239 1 19 . 1 1 177 177 VAL H H 177 8.684 8.684 8.822 -0.138 18728 19240 1 19 . 1 1 178 178 ARG N N 178 119.915 119.915 118.800 1.115 18728 19241 1 19 . 1 1 178 178 ARG HA H 178 4.746 4.746 4.632 0.114 18728 19242 1 19 . 1 1 178 178 ARG C C 178 175.689 175.689 174.629 1.060 18728 19243 1 19 . 1 1 178 178 ARG CA C 178 54.212 54.212 55.084 -0.871 18728 19244 1 19 . 1 1 178 178 ARG CB C 178 34.184 34.184 32.508 1.676 18728 19245 1 19 . 1 1 178 178 ARG H H 178 8.701 8.701 8.294 0.407 18728 19246 1 19 . 1 1 179 179 LYS N N 179 121.001 121.001 121.338 -0.337 18728 19247 1 19 . 1 1 179 179 LYS HA H 179 4.098 4.098 4.224 -0.126 18728 19248 1 19 . 1 1 179 179 LYS C C 179 176.026 176.026 176.135 -0.109 18728 19249 1 19 . 1 1 179 179 LYS CA C 179 59.027 59.027 56.906 2.121 18728 19250 1 19 . 1 1 179 179 LYS CB C 179 33.377 33.377 31.675 1.702 18728 19251 1 19 . 1 1 179 179 LYS H H 179 8.990 8.990 8.652 0.338 18728 19252 1 19 . 1 1 180 180 ALA N N 180 126.810 126.810 129.058 -2.248 18728 19253 1 19 . 1 1 180 180 ALA HA H 180 4.565 4.565 4.735 -0.170 18728 19254 1 19 . 1 1 180 180 ALA C C 180 175.318 175.318 175.445 -0.127 18728 19255 1 19 . 1 1 180 180 ALA CA C 180 51.432 51.432 50.972 0.460 18728 19256 1 19 . 1 1 180 180 ALA CB C 180 19.201 19.201 21.085 -1.884 18728 19257 1 19 . 1 1 180 180 ALA H H 180 8.378 8.378 8.638 -0.260 18728 19258 1 19 . 1 1 181 181 LEU N N 181 122.300 122.300 122.007 0.293 18728 19259 1 19 . 1 1 181 181 LEU HA H 181 4.401 4.401 4.555 -0.154 18728 19260 1 19 . 1 1 181 181 LEU CA C 181 54.737 54.737 53.621 1.116 18728 19261 1 19 . 1 1 181 181 LEU CB C 181 43.199 43.199 43.091 0.108 18728 19262 1 19 . 1 1 181 181 LEU H H 181 8.001 8.001 8.433 -0.432 18728 19263 1 19 . 1 1 182 182 SER HA H 182 4.406 4.406 4.380 0.026 18728 19264 1 19 . 1 1 182 182 SER CA C 182 58.100 58.100 57.986 0.114 18728 19265 1 19 . 1 1 182 182 SER CB C 182 64.440 64.440 64.010 0.430 18728 19266 1 19 . 1 1 183 183 LYS HA H 183 4.101 4.101 4.047 0.054 18728 19267 1 19 . 1 1 183 183 LYS C C 183 177.343 177.343 178.533 -1.190 18728 19268 1 19 . 1 1 183 183 LYS CA C 183 57.744 57.744 58.638 -0.894 18728 19269 1 19 . 1 1 183 183 LYS CB C 183 32.586 32.586 31.675 0.911 18728 19270 1 19 . 1 1 184 184 GLN N N 184 120.056 120.056 119.528 0.528 18728 19271 1 19 . 1 1 184 184 GLN HA H 184 4.167 4.167 4.474 -0.307 18728 19272 1 19 . 1 1 184 184 GLN C C 184 176.718 176.718 178.165 -1.447 18728 19273 1 19 . 1 1 184 184 GLN CA C 184 56.981 56.981 59.055 -2.074 18728 19274 1 19 . 1 1 184 184 GLN CB C 184 28.990 28.990 28.467 0.523 18728 19275 1 19 . 1 1 184 184 GLN H H 184 8.320 8.320 7.958 0.362 18728 19276 1 19 . 1 1 185 185 GLU N N 185 121.610 121.610 118.771 2.839 18728 19277 1 19 . 1 1 185 185 GLU HA H 185 4.132 4.132 4.123 0.009 18728 19278 1 19 . 1 1 185 185 GLU C C 185 177.117 177.117 178.645 -1.528 18728 19279 1 19 . 1 1 185 185 GLU CA C 185 57.234 57.234 58.379 -1.145 18728 19280 1 19 . 1 1 185 185 GLU CB C 185 30.235 30.235 29.186 1.049 18728 19281 1 19 . 1 1 185 185 GLU H H 185 8.143 8.143 7.809 0.334 18728 19282 1 19 . 1 1 186 186 MET N N 186 120.092 120.092 117.688 2.404 18728 19283 1 19 . 1 1 186 186 MET HA H 186 4.289 4.289 4.264 0.025 18728 19284 1 19 . 1 1 186 186 MET C C 186 176.438 176.438 178.122 -1.684 18728 19285 1 19 . 1 1 186 186 MET CA C 186 56.069 56.069 58.031 -1.962 18728 19286 1 19 . 1 1 186 186 MET CB C 186 32.847 32.847 32.940 -0.093 18728 19287 1 19 . 1 1 186 186 MET H H 186 8.195 8.195 8.088 0.107 18728 19288 1 19 . 1 1 187 187 ALA N N 187 124.104 124.104 119.643 4.461 18728 19289 1 19 . 1 1 187 187 ALA HA H 187 4.297 4.297 4.336 -0.039 18728 19290 1 19 . 1 1 187 187 ALA C C 187 178.107 178.107 177.903 0.204 18728 19291 1 19 . 1 1 187 187 ALA CA C 187 52.912 52.912 52.302 0.610 18728 19292 1 19 . 1 1 187 187 ALA CB C 187 19.060 19.060 19.327 -0.267 18728 19293 1 19 . 1 1 187 187 ALA H H 187 8.060 8.060 7.888 0.172 18728 19294 1 19 . 1 1 188 188 SER N N 188 114.374 114.374 111.719 2.655 18728 19295 1 19 . 1 1 188 188 SER HA H 188 4.357 4.357 4.127 0.230 18728 19296 1 19 . 1 1 188 188 SER C C 188 174.757 174.757 173.541 1.216 18728 19297 1 19 . 1 1 188 188 SER CA C 188 58.598 58.598 59.010 -0.412 18728 19298 1 19 . 1 1 188 188 SER CB C 188 63.734 63.734 61.689 2.045 18728 19299 1 19 . 1 1 188 188 SER H H 188 8.173 8.173 7.795 0.378 18728 19300 1 19 . 1 1 189 189 ALA N N 189 125.637 125.637 120.460 5.177 18728 19301 1 19 . 1 1 189 189 ALA HA H 189 4.246 4.246 4.496 -0.250 18728 19302 1 19 . 1 1 189 189 ALA CA C 189 53.015 53.015 51.420 1.595 18728 19303 1 19 . 1 1 189 189 ALA CB C 189 19.069 19.069 21.608 -2.539 18728 19304 1 19 . 1 1 189 189 ALA H H 189 8.207 8.207 7.538 0.669 18728 19305 1 20 . 1 1 5 5 GLU N N 5 122.509 122.509 121.489 1.020 18728 19306 1 20 . 1 1 5 5 GLU HA H 5 4.345 4.345 4.211 0.134 18728 19307 1 20 . 1 1 5 5 GLU C C 5 176.240 176.240 175.905 0.335 18728 19308 1 20 . 1 1 5 5 GLU CA C 5 56.190 56.190 56.922 -0.732 18728 19309 1 20 . 1 1 5 5 GLU CB C 5 30.611 30.611 29.974 0.637 18728 19310 1 20 . 1 1 5 5 GLU H H 5 8.321 8.321 8.158 0.163 18728 19311 1 20 . 1 1 6 6 SER N N 6 118.728 118.728 113.447 5.281 18728 19312 1 20 . 1 1 6 6 SER HA H 6 4.342 4.342 4.216 0.126 18728 19313 1 20 . 1 1 6 6 SER CA C 6 56.305 56.305 57.898 -1.593 18728 19314 1 20 . 1 1 6 6 SER CB C 6 63.241 63.241 63.001 0.240 18728 19315 1 20 . 1 1 6 6 SER H H 6 8.349 8.349 8.052 0.297 18728 19316 1 20 . 1 1 7 7 PRO HA H 7 4.427 4.427 4.595 -0.168 18728 19317 1 20 . 1 1 7 7 PRO C C 7 177.027 177.027 175.914 1.113 18728 19318 1 20 . 1 1 7 7 PRO CA C 7 63.271 63.271 62.853 0.417 18728 19319 1 20 . 1 1 7 7 PRO CB C 7 32.111 32.111 32.963 -0.852 18728 19320 1 20 . 1 1 8 8 LYS N N 8 121.819 121.819 119.728 2.091 18728 19321 1 20 . 1 1 8 8 LYS HA H 8 4.290 4.290 4.432 -0.142 18728 19322 1 20 . 1 1 8 8 LYS C C 8 177.015 177.015 175.882 1.133 18728 19323 1 20 . 1 1 8 8 LYS CA C 8 56.455 56.455 56.553 -0.098 18728 19324 1 20 . 1 1 8 8 LYS CB C 8 33.341 33.341 33.228 0.113 18728 19325 1 20 . 1 1 8 8 LYS H H 8 8.445 8.445 8.632 -0.187 18728 19326 1 20 . 1 1 9 9 GLU N N 9 121.243 121.243 120.689 0.554 18728 19327 1 20 . 1 1 9 9 GLU HA H 9 4.606 4.606 4.652 -0.046 18728 19328 1 20 . 1 1 9 9 GLU CA C 9 54.480 54.480 53.665 0.815 18728 19329 1 20 . 1 1 9 9 GLU CB C 9 29.572 29.572 29.714 -0.142 18728 19330 1 20 . 1 1 9 9 GLU H H 9 8.313 8.313 7.832 0.481 18728 19331 1 20 . 1 1 10 10 PRO HA H 10 4.335 4.335 4.420 -0.085 18728 19332 1 20 . 1 1 10 10 PRO C C 10 177.491 177.491 177.786 -0.295 18728 19333 1 20 . 1 1 10 10 PRO CA C 10 63.587 63.587 62.412 1.175 18728 19334 1 20 . 1 1 10 10 PRO CB C 10 32.374 32.374 32.669 -0.294 18728 19335 1 20 . 1 1 11 11 GLU N N 11 123.071 123.071 120.299 2.772 18728 19336 1 20 . 1 1 11 11 GLU HA H 11 3.686 3.686 3.843 -0.157 18728 19337 1 20 . 1 1 11 11 GLU C C 11 177.984 177.984 178.210 -0.226 18728 19338 1 20 . 1 1 11 11 GLU CA C 11 59.651 59.651 59.611 0.040 18728 19339 1 20 . 1 1 11 11 GLU CB C 11 29.819 29.819 28.933 0.886 18728 19340 1 20 . 1 1 11 11 GLU H H 11 8.692 8.692 8.812 -0.120 18728 19341 1 20 . 1 1 12 12 GLN N N 12 116.079 116.079 115.700 0.379 18728 19342 1 20 . 1 1 12 12 GLN HA H 12 3.979 3.979 4.160 -0.181 18728 19343 1 20 . 1 1 12 12 GLN C C 12 177.579 177.579 177.295 0.284 18728 19344 1 20 . 1 1 12 12 GLN CA C 12 58.526 58.526 58.253 0.273 18728 19345 1 20 . 1 1 12 12 GLN CB C 12 28.112 28.112 28.294 -0.182 18728 19346 1 20 . 1 1 12 12 GLN H H 12 8.647 8.647 8.360 0.287 18728 19347 1 20 . 1 1 13 13 LEU N N 13 116.530 116.530 118.474 -1.944 18728 19348 1 20 . 1 1 13 13 LEU HA H 13 4.264 4.264 4.365 -0.101 18728 19349 1 20 . 1 1 13 13 LEU C C 13 177.080 177.080 177.380 -0.300 18728 19350 1 20 . 1 1 13 13 LEU CA C 13 55.945 55.945 56.102 -0.157 18728 19351 1 20 . 1 1 13 13 LEU CB C 13 42.317 42.317 42.245 0.072 18728 19352 1 20 . 1 1 13 13 LEU H H 13 7.471 7.471 7.678 -0.207 18728 19353 1 20 . 1 1 14 14 ARG N N 14 116.981 116.981 114.316 2.665 18728 19354 1 20 . 1 1 14 14 ARG HA H 14 4.417 4.417 4.562 -0.145 18728 19355 1 20 . 1 1 14 14 ARG C C 14 172.996 172.996 175.956 -2.960 18728 19356 1 20 . 1 1 14 14 ARG CA C 14 56.067 56.067 55.600 0.467 18728 19357 1 20 . 1 1 14 14 ARG CB C 14 29.944 29.944 31.305 -1.361 18728 19358 1 20 . 1 1 14 14 ARG H H 14 7.576 7.576 7.687 -0.111 18728 19359 1 20 . 1 1 15 15 LYS N N 15 119.990 119.990 122.610 -2.620 18728 19360 1 20 . 1 1 15 15 LYS HA H 15 5.198 5.198 5.078 0.120 18728 19361 1 20 . 1 1 15 15 LYS CA C 15 55.301 55.301 55.890 -0.589 18728 19362 1 20 . 1 1 15 15 LYS CB C 15 35.888 35.888 34.973 0.915 18728 19363 1 20 . 1 1 15 15 LYS H H 15 6.946 6.946 7.923 -0.977 18728 19364 1 20 . 1 1 16 16 LEU N N 16 126.081 126.081 123.292 2.789 18728 19365 1 20 . 1 1 16 16 LEU HA H 16 5.016 5.016 4.916 0.100 18728 19366 1 20 . 1 1 16 16 LEU C C 16 176.309 176.309 175.452 0.857 18728 19367 1 20 . 1 1 16 16 LEU CA C 16 53.334 53.334 53.448 -0.114 18728 19368 1 20 . 1 1 16 16 LEU CB C 16 45.062 45.062 46.121 -1.060 18728 19369 1 20 . 1 1 16 16 LEU H H 16 9.605 9.605 8.867 0.738 18728 19370 1 20 . 1 1 17 17 PHE N N 17 123.569 123.569 125.199 -1.630 18728 19371 1 20 . 1 1 17 17 PHE HA H 17 4.585 4.585 5.151 -0.566 18728 19372 1 20 . 1 1 17 17 PHE C C 17 174.362 174.362 174.156 0.206 18728 19373 1 20 . 1 1 17 17 PHE CA C 17 57.153 57.153 55.893 1.260 18728 19374 1 20 . 1 1 17 17 PHE CB C 17 40.603 40.603 40.735 -0.132 18728 19375 1 20 . 1 1 17 17 PHE H H 17 9.023 9.023 9.120 -0.097 18728 19376 1 20 . 1 1 18 18 ILE N N 18 126.932 126.932 128.553 -1.621 18728 19377 1 20 . 1 1 18 18 ILE HA H 18 4.029 4.029 4.167 -0.138 18728 19378 1 20 . 1 1 18 18 ILE C C 18 173.832 173.832 174.795 -0.963 18728 19379 1 20 . 1 1 18 18 ILE CA C 18 59.156 59.156 58.202 0.954 18728 19380 1 20 . 1 1 18 18 ILE CB C 18 36.909 36.909 36.520 0.389 18728 19381 1 20 . 1 1 18 18 ILE H H 18 8.486 8.486 8.506 -0.020 18728 19382 1 20 . 1 1 19 19 GLY N N 19 112.953 112.953 112.708 0.245 18728 19383 1 20 . 1 1 19 19 GLY C C 19 174.426 174.426 173.717 0.709 18728 19384 1 20 . 1 1 19 19 GLY CA C 19 43.611 43.611 43.133 0.478 18728 19385 1 20 . 1 1 19 19 GLY H H 19 7.948 7.948 8.677 -0.729 18728 19386 1 20 . 1 1 20 20 GLY N N 20 107.584 107.584 110.807 -3.223 18728 19387 1 20 . 1 1 20 20 GLY C C 20 175.563 175.563 174.337 1.226 18728 19388 1 20 . 1 1 20 20 GLY CA C 20 46.530 46.530 45.058 1.472 18728 19389 1 20 . 1 1 20 20 GLY H H 20 8.542 8.542 8.125 0.417 18728 19390 1 20 . 1 1 21 21 LEU N N 21 115.232 115.232 120.068 -4.836 18728 19391 1 20 . 1 1 21 21 LEU HA H 21 4.025 4.025 4.166 -0.141 18728 19392 1 20 . 1 1 21 21 LEU C C 21 179.121 179.121 176.586 2.535 18728 19393 1 20 . 1 1 21 21 LEU CA C 21 54.192 54.192 54.404 -0.211 18728 19394 1 20 . 1 1 21 21 LEU CB C 21 42.892 42.892 42.726 0.166 18728 19395 1 20 . 1 1 21 21 LEU H H 21 7.472 7.472 7.918 -0.446 18728 19396 1 20 . 1 1 22 22 SER N N 22 114.737 114.737 115.036 -0.299 18728 19397 1 20 . 1 1 22 22 SER HA H 22 4.125 4.125 4.463 -0.338 18728 19398 1 20 . 1 1 22 22 SER C C 22 177.842 177.842 175.200 2.642 18728 19399 1 20 . 1 1 22 22 SER CA C 22 57.635 57.635 57.310 0.325 18728 19400 1 20 . 1 1 22 22 SER CB C 22 63.106 63.106 64.927 -1.821 18728 19401 1 20 . 1 1 22 22 SER H H 22 9.136 9.136 7.956 1.180 18728 19402 1 20 . 1 1 23 23 PHE N N 23 128.194 128.194 118.201 9.993 18728 19403 1 20 . 1 1 23 23 PHE HA H 23 4.307 4.307 4.627 -0.320 18728 19404 1 20 . 1 1 23 23 PHE C C 23 175.626 175.626 176.394 -0.768 18728 19405 1 20 . 1 1 23 23 PHE CA C 23 60.205 60.205 59.568 0.637 18728 19406 1 20 . 1 1 23 23 PHE CB C 23 37.570 37.570 39.015 -1.445 18728 19407 1 20 . 1 1 23 23 PHE H H 23 9.034 9.034 8.927 0.107 18728 19408 1 20 . 1 1 24 24 GLU N N 24 116.093 116.093 116.611 -0.518 18728 19409 1 20 . 1 1 24 24 GLU HA H 24 4.255 4.255 4.617 -0.362 18728 19410 1 20 . 1 1 24 24 GLU C C 24 177.429 177.429 175.539 1.890 18728 19411 1 20 . 1 1 24 24 GLU CA C 24 56.522 56.522 55.272 1.250 18728 19412 1 20 . 1 1 24 24 GLU CB C 24 29.980 29.980 30.488 -0.508 18728 19413 1 20 . 1 1 24 24 GLU H H 24 8.295 8.295 7.677 0.618 18728 19414 1 20 . 1 1 25 25 THR N N 25 118.836 118.836 118.835 0.001 18728 19415 1 20 . 1 1 25 25 THR HA H 25 4.091 4.091 4.263 -0.172 18728 19416 1 20 . 1 1 25 25 THR C C 25 174.238 174.238 173.491 0.747 18728 19417 1 20 . 1 1 25 25 THR CA C 25 64.862 64.862 63.991 0.871 18728 19418 1 20 . 1 1 25 25 THR CB C 25 68.584 68.584 69.341 -0.757 18728 19419 1 20 . 1 1 25 25 THR H H 25 7.280 7.280 7.459 -0.179 18728 19420 1 20 . 1 1 26 26 THR N N 26 119.434 119.434 115.989 3.445 18728 19421 1 20 . 1 1 26 26 THR HA H 26 4.484 4.484 4.608 -0.124 18728 19422 1 20 . 1 1 26 26 THR C C 26 174.563 174.563 174.627 -0.064 18728 19423 1 20 . 1 1 26 26 THR CA C 26 59.361 59.361 58.844 0.517 18728 19424 1 20 . 1 1 26 26 THR CB C 26 72.727 72.727 72.485 0.242 18728 19425 1 20 . 1 1 26 26 THR H H 26 8.447 8.447 8.026 0.421 18728 19426 1 20 . 1 1 27 27 ASP N N 27 120.342 120.342 122.538 -2.196 18728 19427 1 20 . 1 1 27 27 ASP HA H 27 3.920 3.920 4.219 -0.299 18728 19428 1 20 . 1 1 27 27 ASP C C 27 178.347 178.347 178.029 0.318 18728 19429 1 20 . 1 1 27 27 ASP CA C 27 58.148 58.148 57.834 0.314 18728 19430 1 20 . 1 1 27 27 ASP CB C 27 39.954 39.954 40.849 -0.895 18728 19431 1 20 . 1 1 27 27 ASP H H 27 8.794 8.794 8.858 -0.064 18728 19432 1 20 . 1 1 28 28 GLU N N 28 116.494 116.494 116.630 -0.136 18728 19433 1 20 . 1 1 28 28 GLU HA H 28 3.993 3.993 4.084 -0.091 18728 19434 1 20 . 1 1 28 28 GLU C C 28 178.987 178.987 178.730 0.257 18728 19435 1 20 . 1 1 28 28 GLU CA C 28 60.281 60.281 59.206 1.075 18728 19436 1 20 . 1 1 28 28 GLU CB C 28 29.193 29.193 29.189 0.004 18728 19437 1 20 . 1 1 28 28 GLU H H 28 8.444 8.444 8.936 -0.492 18728 19438 1 20 . 1 1 29 29 SER N N 29 120.532 120.532 116.494 4.038 18728 19439 1 20 . 1 1 29 29 SER HA H 29 4.333 4.333 4.397 -0.064 18728 19440 1 20 . 1 1 29 29 SER C C 29 178.125 178.125 176.383 1.742 18728 19441 1 20 . 1 1 29 29 SER CA C 29 61.720 61.720 61.306 0.414 18728 19442 1 20 . 1 1 29 29 SER H H 29 8.384 8.384 7.464 0.920 18728 19443 1 20 . 1 1 30 30 LEU N N 30 126.754 126.754 124.600 2.154 18728 19444 1 20 . 1 1 30 30 LEU HA H 30 4.080 4.080 4.178 -0.098 18728 19445 1 20 . 1 1 30 30 LEU C C 30 178.341 178.341 177.866 0.475 18728 19446 1 20 . 1 1 30 30 LEU CA C 30 58.073 58.073 57.912 0.161 18728 19447 1 20 . 1 1 30 30 LEU CB C 30 42.524 42.524 41.813 0.711 18728 19448 1 20 . 1 1 30 30 LEU H H 30 8.487 8.487 8.513 -0.026 18728 19449 1 20 . 1 1 31 31 ARG N N 31 121.192 121.192 118.813 2.379 18728 19450 1 20 . 1 1 31 31 ARG HA H 31 3.863 3.863 3.860 0.003 18728 19451 1 20 . 1 1 31 31 ARG C C 31 177.765 177.765 178.154 -0.389 18728 19452 1 20 . 1 1 31 31 ARG CA C 31 59.706 59.706 60.500 -0.794 18728 19453 1 20 . 1 1 31 31 ARG CB C 31 30.648 30.648 30.045 0.603 18728 19454 1 20 . 1 1 31 31 ARG H H 31 7.980 7.980 8.692 -0.712 18728 19455 1 20 . 1 1 32 32 SER N N 32 112.868 112.868 113.245 -0.377 18728 19456 1 20 . 1 1 32 32 SER HA H 32 4.104 4.104 4.413 -0.309 18728 19457 1 20 . 1 1 32 32 SER C C 32 176.416 176.416 175.734 0.682 18728 19458 1 20 . 1 1 32 32 SER CA C 32 61.437 61.437 61.420 0.017 18728 19459 1 20 . 1 1 32 32 SER CB C 32 62.933 62.933 63.047 -0.115 18728 19460 1 20 . 1 1 32 32 SER H H 32 8.295 8.295 7.879 0.416 18728 19461 1 20 . 1 1 33 33 HIS N N 33 115.910 115.910 119.216 -3.306 18728 19462 1 20 . 1 1 33 33 HIS HA H 33 4.346 4.346 4.421 -0.075 18728 19463 1 20 . 1 1 33 33 HIS C C 33 177.510 177.510 177.964 -0.454 18728 19464 1 20 . 1 1 33 33 HIS CA C 33 60.373 60.373 59.608 0.765 18728 19465 1 20 . 1 1 33 33 HIS CB C 33 30.776 30.776 30.477 0.299 18728 19466 1 20 . 1 1 33 33 HIS H H 33 7.406 7.406 7.621 -0.215 18728 19467 1 20 . 1 1 34 34 PHE N N 34 113.562 113.562 119.244 -5.682 18728 19468 1 20 . 1 1 34 34 PHE HA H 34 4.526 4.526 4.826 -0.300 18728 19469 1 20 . 1 1 34 34 PHE C C 34 179.061 179.061 178.166 0.895 18728 19470 1 20 . 1 1 34 34 PHE CA C 34 64.104 64.104 61.462 2.642 18728 19471 1 20 . 1 1 34 34 PHE CB C 34 38.379 38.379 39.002 -0.623 18728 19472 1 20 . 1 1 34 34 PHE H H 34 8.227 8.227 8.440 -0.213 18728 19473 1 20 . 1 1 35 35 GLU N N 35 124.490 124.490 119.684 4.806 18728 19474 1 20 . 1 1 35 35 GLU HA H 35 4.962 4.962 4.417 0.545 18728 19475 1 20 . 1 1 35 35 GLU C C 35 176.476 176.476 177.357 -0.881 18728 19476 1 20 . 1 1 35 35 GLU CA C 35 57.950 57.950 58.589 -0.639 18728 19477 1 20 . 1 1 35 35 GLU CB C 35 28.690 28.690 29.167 -0.477 18728 19478 1 20 . 1 1 35 35 GLU H H 35 9.219 9.219 8.694 0.525 18728 19479 1 20 . 1 1 36 36 GLN N N 36 116.596 116.596 116.546 0.050 18728 19480 1 20 . 1 1 36 36 GLN HA H 36 3.706 3.706 3.946 -0.240 18728 19481 1 20 . 1 1 36 36 GLN C C 36 176.486 176.486 177.185 -0.699 18728 19482 1 20 . 1 1 36 36 GLN CA C 36 58.206 58.206 57.418 0.788 18728 19483 1 20 . 1 1 36 36 GLN CB C 36 27.731 27.731 28.312 -0.581 18728 19484 1 20 . 1 1 36 36 GLN H H 36 7.011 7.011 7.456 -0.445 18728 19485 1 20 . 1 1 37 37 TRP N N 37 114.690 114.690 117.339 -2.649 18728 19486 1 20 . 1 1 37 37 TRP HA H 37 4.481 4.481 4.877 -0.396 18728 19487 1 20 . 1 1 37 37 TRP C C 37 173.662 173.662 176.537 -2.875 18728 19488 1 20 . 1 1 37 37 TRP CA C 37 61.557 61.557 58.414 3.143 18728 19489 1 20 . 1 1 37 37 TRP CB C 37 29.074 29.074 31.559 -2.485 18728 19490 1 20 . 1 1 37 37 TRP H H 37 7.017 7.017 7.834 -0.817 18728 19491 1 20 . 1 1 38 38 GLY N N 38 105.060 105.060 104.728 0.332 18728 19492 1 20 . 1 1 38 38 GLY C C 38 171.596 171.596 172.915 -1.319 18728 19493 1 20 . 1 1 38 38 GLY CA C 38 45.545 45.545 45.398 0.147 18728 19494 1 20 . 1 1 38 38 GLY H H 38 7.294 7.294 7.784 -0.490 18728 19495 1 20 . 1 1 39 39 THR N N 39 117.179 117.179 118.108 -0.929 18728 19496 1 20 . 1 1 39 39 THR HA H 39 4.231 4.231 4.268 -0.037 18728 19497 1 20 . 1 1 39 39 THR C C 39 173.760 173.760 174.068 -0.308 18728 19498 1 20 . 1 1 39 39 THR CA C 39 62.904 62.904 64.622 -1.718 18728 19499 1 20 . 1 1 39 39 THR CB C 39 69.813 69.813 69.486 0.328 18728 19500 1 20 . 1 1 39 39 THR H H 39 8.770 8.770 8.271 0.499 18728 19501 1 20 . 1 1 40 40 LEU N N 40 126.702 126.702 125.724 0.978 18728 19502 1 20 . 1 1 40 40 LEU HA H 40 4.943 4.943 4.870 0.073 18728 19503 1 20 . 1 1 40 40 LEU C C 40 178.358 178.358 176.727 1.631 18728 19504 1 20 . 1 1 40 40 LEU CA C 40 52.969 52.969 53.706 -0.737 18728 19505 1 20 . 1 1 40 40 LEU CB C 40 41.893 41.893 43.735 -1.842 18728 19506 1 20 . 1 1 40 40 LEU H H 40 8.831 8.831 8.856 -0.025 18728 19507 1 20 . 1 1 41 41 THR N N 41 117.175 117.175 116.531 0.644 18728 19508 1 20 . 1 1 41 41 THR HA H 41 4.197 4.197 4.320 -0.123 18728 19509 1 20 . 1 1 41 41 THR C C 41 175.050 175.050 174.706 0.344 18728 19510 1 20 . 1 1 41 41 THR CA C 41 62.668 62.668 62.181 0.487 18728 19511 1 20 . 1 1 41 41 THR CB C 41 67.618 67.618 69.447 -1.829 18728 19512 1 20 . 1 1 41 41 THR H H 41 8.926 8.926 8.887 0.039 18728 19513 1 20 . 1 1 42 42 ASP N N 42 118.764 118.764 118.853 -0.089 18728 19514 1 20 . 1 1 42 42 ASP HA H 42 4.620 4.620 4.884 -0.264 18728 19515 1 20 . 1 1 42 42 ASP C C 42 174.637 174.637 173.475 1.162 18728 19516 1 20 . 1 1 42 42 ASP CA C 42 54.235 54.235 53.866 0.369 18728 19517 1 20 . 1 1 42 42 ASP CB C 42 44.253 44.253 44.489 -0.236 18728 19518 1 20 . 1 1 42 42 ASP H H 42 7.513 7.513 7.701 -0.188 18728 19519 1 20 . 1 1 43 43 CYS N N 43 123.632 123.632 122.634 0.998 18728 19520 1 20 . 1 1 43 43 CYS HA H 43 4.842 4.842 5.267 -0.425 18728 19521 1 20 . 1 1 43 43 CYS C C 43 171.885 171.885 172.163 -0.278 18728 19522 1 20 . 1 1 43 43 CYS CA C 43 59.376 59.376 58.260 1.116 18728 19523 1 20 . 1 1 43 43 CYS CB C 43 26.377 26.377 30.953 -4.576 18728 19524 1 20 . 1 1 43 43 CYS H H 43 8.436 8.436 8.542 -0.106 18728 19525 1 20 . 1 1 44 44 VAL N N 44 126.787 126.787 125.981 0.806 18728 19526 1 20 . 1 1 44 44 VAL HA H 44 4.576 4.576 4.414 0.162 18728 19527 1 20 . 1 1 44 44 VAL C C 44 173.371 173.371 173.473 -0.102 18728 19528 1 20 . 1 1 44 44 VAL CA C 44 60.151 60.151 61.009 -0.858 18728 19529 1 20 . 1 1 44 44 VAL CB C 44 36.424 36.424 36.113 0.311 18728 19530 1 20 . 1 1 44 44 VAL H H 44 8.737 8.737 8.738 -0.001 18728 19531 1 20 . 1 1 45 45 VAL N N 45 125.522 125.522 128.203 -2.681 18728 19532 1 20 . 1 1 45 45 VAL HA H 45 3.711 3.711 4.017 -0.306 18728 19533 1 20 . 1 1 45 45 VAL C C 45 176.674 176.674 175.221 1.453 18728 19534 1 20 . 1 1 45 45 VAL CA C 45 62.509 62.509 62.255 0.254 18728 19535 1 20 . 1 1 45 45 VAL CB C 45 33.175 33.175 32.457 0.718 18728 19536 1 20 . 1 1 45 45 VAL H H 45 8.269 8.269 8.368 -0.099 18728 19537 1 20 . 1 1 46 46 MET N N 46 126.833 126.833 126.567 0.266 18728 19538 1 20 . 1 1 46 46 MET HA H 46 4.441 4.441 4.403 0.038 18728 19539 1 20 . 1 1 46 46 MET C C 46 175.413 175.413 175.325 0.088 18728 19540 1 20 . 1 1 46 46 MET CA C 46 54.852 54.852 55.564 -0.712 18728 19541 1 20 . 1 1 46 46 MET CB C 46 30.454 30.454 31.981 -1.527 18728 19542 1 20 . 1 1 46 46 MET H H 46 8.445 8.445 8.201 0.244 18728 19543 1 20 . 1 1 47 47 ARG N N 47 120.697 120.697 121.290 -0.593 18728 19544 1 20 . 1 1 47 47 ARG HA H 47 4.838 4.838 4.929 -0.091 18728 19545 1 20 . 1 1 47 47 ARG CA C 47 54.308 54.308 54.375 -0.067 18728 19546 1 20 . 1 1 47 47 ARG CB C 47 34.048 34.048 34.594 -0.546 18728 19547 1 20 . 1 1 47 47 ARG H H 47 8.308 8.308 8.015 0.293 18728 19548 1 20 . 1 1 48 48 ASP N N 48 125.146 125.146 122.632 2.514 18728 19549 1 20 . 1 1 48 48 ASP HA H 48 4.686 4.686 4.822 -0.136 18728 19550 1 20 . 1 1 48 48 ASP C C 48 176.046 176.046 176.187 -0.141 18728 19551 1 20 . 1 1 48 48 ASP CA C 48 52.106 52.106 52.537 -0.431 18728 19552 1 20 . 1 1 48 48 ASP CB C 48 42.878 42.878 42.094 0.784 18728 19553 1 20 . 1 1 48 48 ASP H H 48 8.577 8.577 8.600 -0.023 18728 19554 1 20 . 1 1 49 49 PRO HA H 49 4.310 4.310 4.268 0.042 18728 19555 1 20 . 1 1 49 49 PRO C C 49 177.166 177.166 178.119 -0.953 18728 19556 1 20 . 1 1 49 49 PRO CA C 49 64.584 64.584 64.962 -0.378 18728 19557 1 20 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.202 -0.066 18728 19558 1 20 . 1 1 50 50 ASN N N 50 115.474 115.474 117.772 -2.298 18728 19559 1 20 . 1 1 50 50 ASN HA H 50 4.723 4.723 4.678 0.045 18728 19560 1 20 . 1 1 50 50 ASN C C 50 176.642 176.642 177.294 -0.652 18728 19561 1 20 . 1 1 50 50 ASN CA C 50 55.444 55.444 55.689 -0.245 18728 19562 1 20 . 1 1 50 50 ASN CB C 50 39.455 39.455 39.651 -0.196 18728 19563 1 20 . 1 1 50 50 ASN H H 50 8.560 8.560 8.383 0.177 18728 19564 1 20 . 1 1 51 51 THR N N 51 108.788 108.788 113.758 -4.970 18728 19565 1 20 . 1 1 51 51 THR HA H 51 4.264 4.264 4.426 -0.162 18728 19566 1 20 . 1 1 51 51 THR C C 51 176.018 176.018 173.955 2.063 18728 19567 1 20 . 1 1 51 51 THR CA C 51 62.063 62.063 62.705 -0.642 18728 19568 1 20 . 1 1 51 51 THR CB C 51 70.768 70.768 69.855 0.913 18728 19569 1 20 . 1 1 51 51 THR H H 51 8.277 8.277 8.899 -0.622 18728 19570 1 20 . 1 1 52 52 LYS N N 52 114.615 114.615 117.220 -2.605 18728 19571 1 20 . 1 1 52 52 LYS HA H 52 3.917 3.917 4.065 -0.148 18728 19572 1 20 . 1 1 52 52 LYS C C 52 175.376 175.376 175.093 0.283 18728 19573 1 20 . 1 1 52 52 LYS CA C 52 57.902 57.902 56.860 1.042 18728 19574 1 20 . 1 1 52 52 LYS CB C 52 29.293 29.293 30.115 -0.822 18728 19575 1 20 . 1 1 52 52 LYS H H 52 8.091 8.091 7.938 0.153 18728 19576 1 20 . 1 1 53 53 ARG N N 53 120.395 120.395 116.622 3.773 18728 19577 1 20 . 1 1 53 53 ARG HA H 53 4.169 4.169 4.631 -0.462 18728 19578 1 20 . 1 1 53 53 ARG C C 53 176.619 176.619 176.490 0.129 18728 19579 1 20 . 1 1 53 53 ARG CA C 53 56.233 56.233 53.482 2.751 18728 19580 1 20 . 1 1 53 53 ARG CB C 53 31.045 31.045 31.924 -0.879 18728 19581 1 20 . 1 1 53 53 ARG H H 53 7.847 7.847 7.545 0.302 18728 19582 1 20 . 1 1 54 54 SER N N 54 116.987 116.987 115.885 1.102 18728 19583 1 20 . 1 1 54 54 SER HA H 54 4.186 4.186 4.502 -0.316 18728 19584 1 20 . 1 1 54 54 SER C C 54 175.755 175.755 175.745 0.010 18728 19585 1 20 . 1 1 54 54 SER CA C 54 58.559 58.559 58.517 0.041 18728 19586 1 20 . 1 1 54 54 SER CB C 54 63.922 63.922 63.892 0.030 18728 19587 1 20 . 1 1 54 54 SER H H 54 8.810 8.810 8.184 0.626 18728 19588 1 20 . 1 1 55 55 ARG N N 55 123.427 123.427 127.729 -4.302 18728 19589 1 20 . 1 1 55 55 ARG HA H 55 4.403 4.403 4.241 0.162 18728 19590 1 20 . 1 1 55 55 ARG C C 55 177.962 177.962 176.633 1.329 18728 19591 1 20 . 1 1 55 55 ARG CA C 55 56.096 56.096 55.794 0.302 18728 19592 1 20 . 1 1 55 55 ARG CB C 55 31.294 31.294 29.976 1.318 18728 19593 1 20 . 1 1 55 55 ARG H H 55 8.976 8.976 8.725 0.251 18728 19594 1 20 . 1 1 56 56 GLY N N 56 107.308 107.308 106.863 0.445 18728 19595 1 20 . 1 1 56 56 GLY C C 56 171.856 171.856 173.425 -1.569 18728 19596 1 20 . 1 1 56 56 GLY CA C 56 45.669 45.669 45.320 0.349 18728 19597 1 20 . 1 1 56 56 GLY H H 56 9.375 9.375 7.903 1.472 18728 19598 1 20 . 1 1 57 57 PHE N N 57 112.537 112.537 114.576 -2.039 18728 19599 1 20 . 1 1 57 57 PHE HA H 57 5.201 5.201 5.328 -0.127 18728 19600 1 20 . 1 1 57 57 PHE C C 57 172.646 172.646 172.919 -0.273 18728 19601 1 20 . 1 1 57 57 PHE CA C 57 54.918 54.918 55.108 -0.190 18728 19602 1 20 . 1 1 57 57 PHE CB C 57 41.743 41.743 40.769 0.974 18728 19603 1 20 . 1 1 57 57 PHE H H 57 7.044 7.044 7.027 0.017 18728 19604 1 20 . 1 1 58 58 GLY N N 58 106.816 106.816 106.382 0.434 18728 19605 1 20 . 1 1 58 58 GLY C C 58 169.931 169.931 171.195 -1.264 18728 19606 1 20 . 1 1 58 58 GLY CA C 58 45.304 45.304 44.602 0.702 18728 19607 1 20 . 1 1 58 58 GLY H H 58 8.345 8.345 8.258 0.087 18728 19608 1 20 . 1 1 59 59 PHE N N 59 115.179 115.179 115.601 -0.422 18728 19609 1 20 . 1 1 59 59 PHE HA H 59 5.645 5.645 5.555 0.090 18728 19610 1 20 . 1 1 59 59 PHE C C 59 174.929 174.929 174.246 0.683 18728 19611 1 20 . 1 1 59 59 PHE CA C 59 56.541 56.541 56.402 0.139 18728 19612 1 20 . 1 1 59 59 PHE CB C 59 43.984 43.984 43.885 0.099 18728 19613 1 20 . 1 1 59 59 PHE H H 59 8.903 8.903 8.666 0.237 18728 19614 1 20 . 1 1 60 60 VAL N N 60 115.310 115.310 116.420 -1.110 18728 19615 1 20 . 1 1 60 60 VAL HA H 60 4.540 4.540 4.700 -0.160 18728 19616 1 20 . 1 1 60 60 VAL C C 60 173.246 173.246 175.234 -1.988 18728 19617 1 20 . 1 1 60 60 VAL CA C 60 59.421 59.421 60.434 -1.013 18728 19618 1 20 . 1 1 60 60 VAL CB C 60 34.678 34.678 33.713 0.965 18728 19619 1 20 . 1 1 60 60 VAL H H 60 8.569 8.569 8.904 -0.335 18728 19620 1 20 . 1 1 61 61 THR N N 61 120.158 120.158 123.300 -3.142 18728 19621 1 20 . 1 1 61 61 THR HA H 61 5.068 5.068 4.799 0.269 18728 19622 1 20 . 1 1 61 61 THR C C 61 173.985 173.985 173.832 0.153 18728 19623 1 20 . 1 1 61 61 THR CA C 61 61.033 61.033 61.798 -0.765 18728 19624 1 20 . 1 1 61 61 THR CB C 61 70.114 70.114 69.222 0.892 18728 19625 1 20 . 1 1 61 61 THR H H 61 8.180 8.180 8.911 -0.731 18728 19626 1 20 . 1 1 62 62 TYR N N 62 125.280 125.280 127.147 -1.867 18728 19627 1 20 . 1 1 62 62 TYR HA H 62 5.357 5.357 4.802 0.555 18728 19628 1 20 . 1 1 62 62 TYR C C 62 176.696 176.696 176.250 0.446 18728 19629 1 20 . 1 1 62 62 TYR CA C 62 58.297 58.297 58.833 -0.536 18728 19630 1 20 . 1 1 62 62 TYR CB C 62 42.217 42.217 40.038 2.179 18728 19631 1 20 . 1 1 62 62 TYR H H 62 8.407 8.407 9.068 -0.661 18728 19632 1 20 . 1 1 63 63 ALA N N 63 121.648 121.648 122.364 -0.716 18728 19633 1 20 . 1 1 63 63 ALA HA H 63 4.052 4.052 4.347 -0.295 18728 19634 1 20 . 1 1 63 63 ALA C C 63 178.252 178.252 176.870 1.382 18728 19635 1 20 . 1 1 63 63 ALA CA C 63 55.269 55.269 54.235 1.034 18728 19636 1 20 . 1 1 63 63 ALA CB C 63 19.068 19.068 19.903 -0.835 18728 19637 1 20 . 1 1 63 63 ALA H H 63 8.749 8.749 8.817 -0.068 18728 19638 1 20 . 1 1 64 64 THR N N 64 105.238 105.238 111.018 -5.780 18728 19639 1 20 . 1 1 64 64 THR HA H 64 4.902 4.902 4.966 -0.064 18728 19640 1 20 . 1 1 64 64 THR C C 64 174.667 174.667 174.459 0.208 18728 19641 1 20 . 1 1 64 64 THR CA C 64 59.184 59.184 60.130 -0.947 18728 19642 1 20 . 1 1 64 64 THR CB C 64 73.193 73.193 72.716 0.477 18728 19643 1 20 . 1 1 64 64 THR H H 64 7.992 7.992 7.502 0.490 18728 19644 1 20 . 1 1 65 65 VAL N N 65 120.939 120.939 122.986 -2.047 18728 19645 1 20 . 1 1 65 65 VAL HA H 65 3.670 3.670 3.787 -0.117 18728 19646 1 20 . 1 1 65 65 VAL C C 65 177.446 177.446 176.973 0.473 18728 19647 1 20 . 1 1 65 65 VAL CA C 65 65.535 65.535 64.763 0.773 18728 19648 1 20 . 1 1 65 65 VAL CB C 65 31.538 31.538 32.380 -0.842 18728 19649 1 20 . 1 1 65 65 VAL H H 65 8.968 8.968 9.317 -0.349 18728 19650 1 20 . 1 1 66 66 GLU N N 66 120.818 120.818 118.444 2.374 18728 19651 1 20 . 1 1 66 66 GLU HA H 66 4.045 4.045 3.934 0.111 18728 19652 1 20 . 1 1 66 66 GLU C C 66 180.056 180.056 178.641 1.415 18728 19653 1 20 . 1 1 66 66 GLU CA C 66 60.430 60.430 60.041 0.389 18728 19654 1 20 . 1 1 66 66 GLU CB C 66 28.909 28.909 28.724 0.185 18728 19655 1 20 . 1 1 66 66 GLU H H 66 8.686 8.686 8.811 -0.125 18728 19656 1 20 . 1 1 67 67 GLU N N 67 120.729 120.729 118.168 2.561 18728 19657 1 20 . 1 1 67 67 GLU HA H 67 3.853 3.853 4.028 -0.175 18728 19658 1 20 . 1 1 67 67 GLU C C 67 177.040 177.040 178.700 -1.660 18728 19659 1 20 . 1 1 67 67 GLU CA C 67 59.391 59.391 58.702 0.689 18728 19660 1 20 . 1 1 67 67 GLU CB C 67 29.590 29.590 28.971 0.619 18728 19661 1 20 . 1 1 67 67 GLU H H 67 7.487 7.487 7.494 -0.007 18728 19662 1 20 . 1 1 68 68 VAL N N 68 118.408 118.408 120.151 -1.743 18728 19663 1 20 . 1 1 68 68 VAL HA H 68 3.165 3.165 3.214 -0.049 18728 19664 1 20 . 1 1 68 68 VAL C C 68 178.293 178.293 177.535 0.758 18728 19665 1 20 . 1 1 68 68 VAL CA C 68 66.391 66.391 66.866 -0.475 18728 19666 1 20 . 1 1 68 68 VAL CB C 68 31.092 31.092 31.831 -0.739 18728 19667 1 20 . 1 1 68 68 VAL H H 68 6.882 6.882 7.137 -0.255 18728 19668 1 20 . 1 1 69 69 ASP N N 69 119.356 119.356 119.597 -0.241 18728 19669 1 20 . 1 1 69 69 ASP HA H 69 4.128 4.128 4.232 -0.104 18728 19670 1 20 . 1 1 69 69 ASP C C 69 178.765 178.765 178.106 0.659 18728 19671 1 20 . 1 1 69 69 ASP CA C 69 57.394 57.394 57.724 -0.330 18728 19672 1 20 . 1 1 69 69 ASP CB C 69 39.879 39.879 40.748 -0.869 18728 19673 1 20 . 1 1 69 69 ASP H H 69 8.109 8.109 7.699 0.410 18728 19674 1 20 . 1 1 70 70 ALA N N 70 123.031 123.031 121.222 1.809 18728 19675 1 20 . 1 1 70 70 ALA HA H 70 4.070 4.070 4.170 -0.100 18728 19676 1 20 . 1 1 70 70 ALA C C 70 180.518 180.518 179.445 1.073 18728 19677 1 20 . 1 1 70 70 ALA CA C 70 55.209 55.209 55.042 0.167 18728 19678 1 20 . 1 1 70 70 ALA CB C 70 18.104 18.104 18.342 -0.238 18728 19679 1 20 . 1 1 70 70 ALA H H 70 7.736 7.736 7.651 0.085 18728 19680 1 20 . 1 1 71 71 ALA N N 71 121.446 121.446 120.262 1.184 18728 19681 1 20 . 1 1 71 71 ALA HA H 71 3.034 3.034 3.783 -0.749 18728 19682 1 20 . 1 1 71 71 ALA C C 71 182.248 182.248 179.703 2.545 18728 19683 1 20 . 1 1 71 71 ALA CA C 71 55.251 55.251 54.708 0.543 18728 19684 1 20 . 1 1 71 71 ALA CB C 71 17.976 17.976 18.387 -0.412 18728 19685 1 20 . 1 1 71 71 ALA H H 71 8.101 8.101 7.380 0.721 18728 19686 1 20 . 1 1 72 72 MET N N 72 118.027 118.027 116.170 1.857 18728 19687 1 20 . 1 1 72 72 MET HA H 72 4.430 4.430 4.235 0.195 18728 19688 1 20 . 1 1 72 72 MET C C 72 179.409 179.409 177.533 1.876 18728 19689 1 20 . 1 1 72 72 MET CA C 72 56.379 56.379 58.058 -1.679 18728 19690 1 20 . 1 1 72 72 MET CB C 72 30.498 30.498 32.402 -1.904 18728 19691 1 20 . 1 1 72 72 MET H H 72 8.681 8.681 8.264 0.417 18728 19692 1 20 . 1 1 73 73 ASN N N 73 119.415 119.415 115.980 3.435 18728 19693 1 20 . 1 1 73 73 ASN HA H 73 4.627 4.627 4.639 -0.012 18728 19694 1 20 . 1 1 73 73 ASN C C 73 175.014 175.014 176.065 -1.051 18728 19695 1 20 . 1 1 73 73 ASN CA C 73 54.323 54.323 54.428 -0.105 18728 19696 1 20 . 1 1 73 73 ASN CB C 73 38.468 38.468 38.314 0.154 18728 19697 1 20 . 1 1 73 73 ASN H H 73 8.096 8.096 8.142 -0.046 18728 19698 1 20 . 1 1 74 74 ALA N N 74 122.253 122.253 121.568 0.685 18728 19699 1 20 . 1 1 74 74 ALA HA H 74 4.299 4.299 4.327 -0.028 18728 19700 1 20 . 1 1 74 74 ALA C C 74 175.305 175.305 176.717 -1.412 18728 19701 1 20 . 1 1 74 74 ALA CA C 74 51.273 51.273 51.167 0.106 18728 19702 1 20 . 1 1 74 74 ALA CB C 74 18.922 18.922 19.165 -0.243 18728 19703 1 20 . 1 1 74 74 ALA H H 74 6.966 6.966 7.318 -0.352 18728 19704 1 20 . 1 1 75 75 ARG N N 75 116.833 116.833 120.523 -3.690 18728 19705 1 20 . 1 1 75 75 ARG HA H 75 3.608 3.608 4.009 -0.401 18728 19706 1 20 . 1 1 75 75 ARG CA C 75 55.086 55.086 55.745 -0.659 18728 19707 1 20 . 1 1 75 75 ARG CB C 75 30.199 30.199 30.404 -0.205 18728 19708 1 20 . 1 1 75 75 ARG H H 75 6.749 6.749 7.268 -0.519 18728 19709 1 20 . 1 1 76 76 PRO HA H 76 4.434 4.434 4.522 -0.088 18728 19710 1 20 . 1 1 76 76 PRO C C 76 175.590 175.590 175.608 -0.018 18728 19711 1 20 . 1 1 76 76 PRO CA C 76 61.614 61.614 62.475 -0.861 18728 19712 1 20 . 1 1 76 76 PRO CB C 76 34.982 34.982 32.756 2.226 18728 19713 1 20 . 1 1 77 77 HIS N N 77 122.039 122.039 116.691 5.348 18728 19714 1 20 . 1 1 77 77 HIS HA H 77 4.559 4.559 4.900 -0.341 18728 19715 1 20 . 1 1 77 77 HIS C C 77 173.137 173.137 173.591 -0.454 18728 19716 1 20 . 1 1 77 77 HIS CA C 77 56.231 56.231 55.437 0.794 18728 19717 1 20 . 1 1 77 77 HIS CB C 77 32.909 32.909 34.102 -1.193 18728 19718 1 20 . 1 1 77 77 HIS H H 77 9.384 9.384 8.257 1.127 18728 19719 1 20 . 1 1 78 78 LYS N N 78 125.607 125.607 123.186 2.421 18728 19720 1 20 . 1 1 78 78 LYS HA H 78 4.939 4.939 5.272 -0.333 18728 19721 1 20 . 1 1 78 78 LYS C C 78 174.858 174.858 175.102 -0.244 18728 19722 1 20 . 1 1 78 78 LYS CA C 78 54.755 54.755 55.636 -0.881 18728 19723 1 20 . 1 1 78 78 LYS CB C 78 33.475 33.475 34.537 -1.062 18728 19724 1 20 . 1 1 78 78 LYS H H 78 8.485 8.485 8.750 -0.265 18728 19725 1 20 . 1 1 79 79 VAL N N 79 124.596 124.596 125.971 -1.375 18728 19726 1 20 . 1 1 79 79 VAL HA H 79 3.955 3.955 3.655 0.300 18728 19727 1 20 . 1 1 79 79 VAL C C 79 176.295 176.295 175.186 1.109 18728 19728 1 20 . 1 1 79 79 VAL CA C 79 60.737 60.737 61.425 -0.688 18728 19729 1 20 . 1 1 79 79 VAL CB C 79 33.249 33.249 32.905 0.344 18728 19730 1 20 . 1 1 79 79 VAL H H 79 8.581 8.581 8.024 0.557 18728 19731 1 20 . 1 1 80 80 ASP N N 80 128.668 128.668 126.615 2.053 18728 19732 1 20 . 1 1 80 80 ASP HA H 80 4.228 4.228 4.294 -0.066 18728 19733 1 20 . 1 1 80 80 ASP C C 80 175.744 175.744 176.155 -0.411 18728 19734 1 20 . 1 1 80 80 ASP CA C 80 55.882 55.882 54.781 1.101 18728 19735 1 20 . 1 1 80 80 ASP CB C 80 39.692 39.692 40.338 -0.646 18728 19736 1 20 . 1 1 80 80 ASP H H 80 9.553 9.553 9.109 0.444 18728 19737 1 20 . 1 1 81 81 GLY N N 81 101.527 101.527 103.419 -1.892 18728 19738 1 20 . 1 1 81 81 GLY C C 81 173.560 173.560 173.670 -0.110 18728 19739 1 20 . 1 1 81 81 GLY CA C 81 45.445 45.445 45.721 -0.276 18728 19740 1 20 . 1 1 81 81 GLY H H 81 8.488 8.488 8.586 -0.098 18728 19741 1 20 . 1 1 82 82 ARG N N 82 120.493 120.493 119.324 1.169 18728 19742 1 20 . 1 1 82 82 ARG HA H 82 4.640 4.640 4.626 0.014 18728 19743 1 20 . 1 1 82 82 ARG C C 82 174.512 174.512 174.660 -0.148 18728 19744 1 20 . 1 1 82 82 ARG CA C 82 53.161 53.161 54.324 -1.163 18728 19745 1 20 . 1 1 82 82 ARG CB C 82 32.507 32.507 33.589 -1.082 18728 19746 1 20 . 1 1 82 82 ARG H H 82 7.555 7.555 7.257 0.298 18728 19747 1 20 . 1 1 83 83 VAL N N 83 124.855 124.855 126.616 -1.761 18728 19748 1 20 . 1 1 83 83 VAL HA H 83 4.501 4.501 4.308 0.193 18728 19749 1 20 . 1 1 83 83 VAL C C 83 176.701 176.701 175.244 1.457 18728 19750 1 20 . 1 1 83 83 VAL CA C 83 63.290 63.290 62.932 0.358 18728 19751 1 20 . 1 1 83 83 VAL CB C 83 30.867 30.867 31.651 -0.784 18728 19752 1 20 . 1 1 83 83 VAL H H 83 8.633 8.633 8.611 0.022 18728 19753 1 20 . 1 1 84 84 VAL N N 84 122.944 122.944 124.845 -1.901 18728 19754 1 20 . 1 1 84 84 VAL HA H 84 4.667 4.667 4.928 -0.261 18728 19755 1 20 . 1 1 84 84 VAL C C 84 174.969 174.969 174.135 0.834 18728 19756 1 20 . 1 1 84 84 VAL CA C 84 59.499 59.499 59.224 0.275 18728 19757 1 20 . 1 1 84 84 VAL CB C 84 32.761 32.761 34.965 -2.204 18728 19758 1 20 . 1 1 84 84 VAL H H 84 8.391 8.391 8.704 -0.313 18728 19759 1 20 . 1 1 85 85 GLU N N 85 120.907 120.907 123.162 -2.255 18728 19760 1 20 . 1 1 85 85 GLU HA H 85 5.087 5.087 4.958 0.129 18728 19761 1 20 . 1 1 85 85 GLU CA C 85 52.949 52.949 52.185 0.764 18728 19762 1 20 . 1 1 85 85 GLU CB C 85 31.367 31.367 32.294 -0.927 18728 19763 1 20 . 1 1 85 85 GLU H H 85 8.681 8.681 9.150 -0.469 18728 19764 1 20 . 1 1 86 86 PRO HA H 86 5.383 5.383 4.699 0.684 18728 19765 1 20 . 1 1 86 86 PRO C C 86 175.908 175.908 176.144 -0.236 18728 19766 1 20 . 1 1 86 86 PRO CA C 86 61.444 61.444 62.978 -1.534 18728 19767 1 20 . 1 1 86 86 PRO CB C 86 32.657 32.657 32.241 0.416 18728 19768 1 20 . 1 1 87 87 LYS N N 87 121.252 121.252 121.938 -0.686 18728 19769 1 20 . 1 1 87 87 LYS HA H 87 4.688 4.688 5.039 -0.351 18728 19770 1 20 . 1 1 87 87 LYS C C 87 175.676 175.676 176.013 -0.337 18728 19771 1 20 . 1 1 87 87 LYS CA C 87 55.101 55.101 53.981 1.120 18728 19772 1 20 . 1 1 87 87 LYS CB C 87 36.608 36.608 36.073 0.535 18728 19773 1 20 . 1 1 87 87 LYS H H 87 9.397 9.397 8.911 0.486 18728 19774 1 20 . 1 1 88 88 ARG N N 88 123.272 123.272 120.131 3.141 18728 19775 1 20 . 1 1 88 88 ARG HA H 88 4.375 4.375 4.391 -0.016 18728 19776 1 20 . 1 1 88 88 ARG C C 88 177.011 177.011 176.121 0.890 18728 19777 1 20 . 1 1 88 88 ARG CA C 88 57.209 57.209 56.208 1.001 18728 19778 1 20 . 1 1 88 88 ARG CB C 88 30.452 30.452 31.158 -0.706 18728 19779 1 20 . 1 1 88 88 ARG H H 88 8.940 8.940 8.846 0.094 18728 19780 1 20 . 1 1 89 89 ALA N N 89 126.260 126.260 126.956 -0.696 18728 19781 1 20 . 1 1 89 89 ALA HA H 89 4.259 4.259 4.801 -0.542 18728 19782 1 20 . 1 1 89 89 ALA C C 89 177.452 177.452 176.266 1.186 18728 19783 1 20 . 1 1 89 89 ALA CA C 89 53.712 53.712 51.012 2.700 18728 19784 1 20 . 1 1 89 89 ALA CB C 89 18.824 18.824 19.285 -0.461 18728 19785 1 20 . 1 1 89 89 ALA H H 89 8.424 8.424 8.120 0.304 18728 19786 1 20 . 1 1 90 90 VAL N N 90 115.835 115.835 123.300 -7.465 18728 19787 1 20 . 1 1 90 90 VAL HA H 90 4.182 4.182 4.053 0.129 18728 19788 1 20 . 1 1 90 90 VAL C C 90 175.397 175.397 175.784 -0.387 18728 19789 1 20 . 1 1 90 90 VAL CA C 90 61.516 61.516 62.324 -0.808 18728 19790 1 20 . 1 1 90 90 VAL CB C 90 33.448 33.448 33.242 0.206 18728 19791 1 20 . 1 1 90 90 VAL H H 90 7.892 7.892 7.961 -0.069 18728 19792 1 20 . 1 1 91 91 SER N N 91 119.224 119.224 120.281 -1.057 18728 19793 1 20 . 1 1 91 91 SER HA H 91 4.420 4.420 4.339 0.081 18728 19794 1 20 . 1 1 91 91 SER CA C 91 57.888 57.888 59.223 -1.335 18728 19795 1 20 . 1 1 91 91 SER CB C 91 63.788 63.788 63.845 -0.057 18728 19796 1 20 . 1 1 91 91 SER H H 91 8.327 8.327 8.640 -0.313 18728 19797 1 20 . 1 1 92 92 ARG HA H 92 4.231 4.231 4.019 0.212 18728 19798 1 20 . 1 1 92 92 ARG C C 92 176.651 176.651 176.423 0.228 18728 19799 1 20 . 1 1 92 92 ARG CA C 92 56.671 56.671 57.943 -1.272 18728 19800 1 20 . 1 1 92 92 ARG CB C 92 30.776 30.776 29.858 0.918 18728 19801 1 20 . 1 1 92 92 ARG H H 92 8.425 8.425 8.943 -0.518 18728 19802 1 20 . 1 1 93 93 GLU N N 93 121.483 121.483 116.092 5.391 18728 19803 1 20 . 1 1 93 93 GLU HA H 93 4.181 4.181 4.106 0.075 18728 19804 1 20 . 1 1 93 93 GLU C C 93 176.605 176.605 178.367 -1.762 18728 19805 1 20 . 1 1 93 93 GLU CA C 93 57.185 57.185 58.323 -1.138 18728 19806 1 20 . 1 1 93 93 GLU CB C 93 30.015 30.015 29.230 0.785 18728 19807 1 20 . 1 1 93 93 GLU H H 93 8.503 8.503 8.322 0.181 18728 19808 1 20 . 1 1 94 94 ASP N N 94 121.305 121.305 118.970 2.335 18728 19809 1 20 . 1 1 94 94 ASP HA H 94 4.540 4.540 4.551 -0.011 18728 19810 1 20 . 1 1 94 94 ASP C C 94 176.744 176.744 177.957 -1.213 18728 19811 1 20 . 1 1 94 94 ASP CA C 94 54.678 54.678 55.617 -0.939 18728 19812 1 20 . 1 1 94 94 ASP CB C 94 41.183 41.183 41.056 0.127 18728 19813 1 20 . 1 1 94 94 ASP H H 94 8.229 8.229 7.821 0.408 18728 19814 1 20 . 1 1 95 95 SER N N 95 115.787 115.787 114.612 1.175 18728 19815 1 20 . 1 1 95 95 SER HA H 95 4.286 4.286 4.110 0.176 18728 19816 1 20 . 1 1 95 95 SER C C 95 174.602 174.602 174.761 -0.159 18728 19817 1 20 . 1 1 95 95 SER CA C 95 58.957 58.957 59.031 -0.074 18728 19818 1 20 . 1 1 95 95 SER CB C 95 64.524 64.524 62.697 1.827 18728 19819 1 20 . 1 1 95 95 SER H H 95 8.109 8.109 7.619 0.490 18728 19820 1 20 . 1 1 96 96 GLN N N 96 120.796 120.796 119.632 1.164 18728 19821 1 20 . 1 1 96 96 GLN HA H 96 4.297 4.297 4.217 0.080 18728 19822 1 20 . 1 1 96 96 GLN C C 96 175.742 175.742 176.166 -0.424 18728 19823 1 20 . 1 1 96 96 GLN CA C 96 55.721 55.721 56.379 -0.658 18728 19824 1 20 . 1 1 96 96 GLN CB C 96 29.313 29.313 29.180 0.133 18728 19825 1 20 . 1 1 96 96 GLN H H 96 8.161 8.161 7.303 0.858 18728 19826 1 20 . 1 1 97 97 ARG N N 97 122.462 122.462 120.688 1.774 18728 19827 1 20 . 1 1 97 97 ARG HA H 97 4.552 4.552 4.321 0.231 18728 19828 1 20 . 1 1 97 97 ARG CA C 97 54.096 54.096 53.137 0.959 18728 19829 1 20 . 1 1 97 97 ARG CB C 97 30.115 30.115 28.638 1.477 18728 19830 1 20 . 1 1 97 97 ARG H H 97 8.029 8.029 7.368 0.661 18728 19831 1 20 . 1 1 98 98 PRO HA H 98 4.362 4.362 4.294 0.068 18728 19832 1 20 . 1 1 98 98 PRO C C 98 177.715 177.715 177.196 0.519 18728 19833 1 20 . 1 1 98 98 PRO CA C 98 63.592 63.592 63.448 0.144 18728 19834 1 20 . 1 1 98 98 PRO CB C 98 31.955 31.955 31.191 0.764 18728 19835 1 20 . 1 1 99 99 GLY N N 99 109.572 109.572 113.081 -3.509 18728 19836 1 20 . 1 1 99 99 GLY C C 99 174.356 174.356 175.219 -0.863 18728 19837 1 20 . 1 1 99 99 GLY CA C 99 45.395 45.395 45.131 0.264 18728 19838 1 20 . 1 1 99 99 GLY H H 99 8.516 8.516 8.422 0.094 18728 19839 1 20 . 1 1 100 100 ALA N N 100 123.418 123.418 122.069 1.349 18728 19840 1 20 . 1 1 100 100 ALA HA H 100 4.141 4.141 3.893 0.248 18728 19841 1 20 . 1 1 100 100 ALA CA C 100 53.160 53.160 53.756 -0.596 18728 19842 1 20 . 1 1 100 100 ALA CB C 100 19.185 19.185 18.894 0.291 18728 19843 1 20 . 1 1 100 100 ALA H H 100 8.015 8.015 7.457 0.558 18728 19844 1 20 . 1 1 101 101 HIS HA H 101 4.502 4.502 4.463 0.039 18728 19845 1 20 . 1 1 101 101 HIS C C 101 175.102 175.102 174.554 0.548 18728 19846 1 20 . 1 1 101 101 HIS CA C 101 56.309 56.309 54.430 1.879 18728 19847 1 20 . 1 1 101 101 HIS CB C 101 30.450 30.450 28.336 2.114 18728 19848 1 20 . 1 1 102 102 LEU N N 102 122.495 122.495 119.897 2.598 18728 19849 1 20 . 1 1 102 102 LEU HA H 102 4.263 4.263 4.274 -0.011 18728 19850 1 20 . 1 1 102 102 LEU C C 102 177.020 177.020 176.996 0.024 18728 19851 1 20 . 1 1 102 102 LEU CA C 102 54.934 54.934 54.436 0.498 18728 19852 1 20 . 1 1 102 102 LEU CB C 102 42.414 42.414 43.041 -0.627 18728 19853 1 20 . 1 1 102 102 LEU H H 102 7.774 7.774 7.052 0.722 18728 19854 1 20 . 1 1 103 103 THR N N 103 115.720 115.720 117.519 -1.799 18728 19855 1 20 . 1 1 103 103 THR HA H 103 4.220 4.220 4.041 0.179 18728 19856 1 20 . 1 1 103 103 THR C C 103 174.185 174.185 173.879 0.306 18728 19857 1 20 . 1 1 103 103 THR CA C 103 60.917 60.917 62.522 -1.605 18728 19858 1 20 . 1 1 103 103 THR CB C 103 69.340 69.340 67.689 1.651 18728 19859 1 20 . 1 1 103 103 THR H H 103 8.001 8.001 8.376 -0.375 18728 19860 1 20 . 1 1 104 104 VAL N N 104 122.004 122.004 125.751 -3.747 18728 19861 1 20 . 1 1 104 104 VAL HA H 104 4.330 4.330 4.162 0.168 18728 19862 1 20 . 1 1 104 104 VAL C C 104 175.294 175.294 175.585 -0.291 18728 19863 1 20 . 1 1 104 104 VAL CA C 104 61.877 61.877 61.773 0.104 18728 19864 1 20 . 1 1 104 104 VAL CB C 104 34.220 34.220 31.379 2.841 18728 19865 1 20 . 1 1 104 104 VAL H H 104 8.191 8.191 7.969 0.222 18728 19866 1 20 . 1 1 105 105 LYS N N 105 121.406 121.406 125.963 -4.557 18728 19867 1 20 . 1 1 105 105 LYS HA H 105 4.498 4.498 4.527 -0.029 18728 19868 1 20 . 1 1 105 105 LYS C C 105 173.482 173.482 175.448 -1.966 18728 19869 1 20 . 1 1 105 105 LYS CA C 105 56.433 56.433 55.791 0.642 18728 19870 1 20 . 1 1 105 105 LYS CB C 105 33.245 33.245 32.864 0.381 18728 19871 1 20 . 1 1 105 105 LYS H H 105 8.672 8.672 8.641 0.031 18728 19872 1 20 . 1 1 106 106 LYS N N 106 121.756 121.756 119.399 2.357 18728 19873 1 20 . 1 1 106 106 LYS HA H 106 5.623 5.623 5.307 0.316 18728 19874 1 20 . 1 1 106 106 LYS C C 106 175.153 175.153 175.185 -0.032 18728 19875 1 20 . 1 1 106 106 LYS CA C 106 54.537 54.537 54.822 -0.285 18728 19876 1 20 . 1 1 106 106 LYS CB C 106 37.407 37.407 36.259 1.148 18728 19877 1 20 . 1 1 106 106 LYS H H 106 7.134 7.134 7.729 -0.595 18728 19878 1 20 . 1 1 107 107 ILE N N 107 115.982 115.982 118.396 -2.414 18728 19879 1 20 . 1 1 107 107 ILE HA H 107 5.110 5.110 5.097 0.013 18728 19880 1 20 . 1 1 107 107 ILE C C 107 174.525 174.525 173.773 0.752 18728 19881 1 20 . 1 1 107 107 ILE CA C 107 59.009 59.009 59.236 -0.227 18728 19882 1 20 . 1 1 107 107 ILE CB C 107 40.552 40.552 41.633 -1.081 18728 19883 1 20 . 1 1 107 107 ILE H H 107 8.948 8.948 8.243 0.705 18728 19884 1 20 . 1 1 108 108 PHE N N 108 124.182 124.182 124.315 -0.133 18728 19885 1 20 . 1 1 108 108 PHE HA H 108 4.696 4.696 4.546 0.150 18728 19886 1 20 . 1 1 108 108 PHE C C 108 173.422 173.422 173.168 0.254 18728 19887 1 20 . 1 1 108 108 PHE CA C 108 56.567 56.567 55.886 0.681 18728 19888 1 20 . 1 1 108 108 PHE CB C 108 41.596 41.596 41.627 -0.031 18728 19889 1 20 . 1 1 108 108 PHE H H 108 9.103 9.103 9.028 0.075 18728 19890 1 20 . 1 1 109 109 VAL N N 109 126.956 126.956 127.693 -0.737 18728 19891 1 20 . 1 1 109 109 VAL HA H 109 4.497 4.497 4.704 -0.207 18728 19892 1 20 . 1 1 109 109 VAL C C 109 174.097 174.097 174.347 -0.250 18728 19893 1 20 . 1 1 109 109 VAL CA C 109 60.493 60.493 60.309 0.184 18728 19894 1 20 . 1 1 109 109 VAL CB C 109 33.266 33.266 32.777 0.489 18728 19895 1 20 . 1 1 109 109 VAL H H 109 8.338 8.338 8.146 0.192 18728 19896 1 20 . 1 1 110 110 GLY N N 110 113.617 113.617 113.411 0.206 18728 19897 1 20 . 1 1 110 110 GLY C C 110 174.325 174.325 173.428 0.897 18728 19898 1 20 . 1 1 110 110 GLY CA C 110 44.011 44.011 43.093 0.918 18728 19899 1 20 . 1 1 110 110 GLY H H 110 9.173 9.173 8.613 0.560 18728 19900 1 20 . 1 1 111 111 GLY N N 111 106.411 106.411 109.339 -2.928 18728 19901 1 20 . 1 1 111 111 GLY CA C 111 46.359 46.359 45.097 1.262 18728 19902 1 20 . 1 1 111 111 GLY H H 111 8.221 8.221 8.594 -0.373 18728 19903 1 20 . 1 1 116 116 THR HA H 116 4.322 4.322 4.156 0.166 18728 19904 1 20 . 1 1 116 116 THR C C 116 173.380 173.380 174.494 -1.114 18728 19905 1 20 . 1 1 116 116 THR CA C 116 63.000 63.000 62.897 0.103 18728 19906 1 20 . 1 1 117 117 GLU N N 117 130.298 130.298 125.895 4.403 18728 19907 1 20 . 1 1 117 117 GLU HA H 117 4.632 4.632 4.683 -0.051 18728 19908 1 20 . 1 1 117 117 GLU C C 117 177.632 177.632 177.114 0.518 18728 19909 1 20 . 1 1 117 117 GLU CA C 117 53.853 53.853 54.734 -0.881 18728 19910 1 20 . 1 1 117 117 GLU CB C 117 32.977 32.977 32.551 0.426 18728 19911 1 20 . 1 1 117 117 GLU H H 117 11.190 11.190 8.996 2.194 18728 19912 1 20 . 1 1 118 118 GLU N N 118 122.126 122.126 122.447 -0.321 18728 19913 1 20 . 1 1 118 118 GLU HA H 118 3.627 3.627 3.976 -0.349 18728 19914 1 20 . 1 1 118 118 GLU C C 118 179.294 179.294 178.219 1.075 18728 19915 1 20 . 1 1 118 118 GLU CA C 118 61.689 61.689 60.495 1.194 18728 19916 1 20 . 1 1 118 118 GLU CB C 118 29.075 29.075 29.494 -0.419 18728 19917 1 20 . 1 1 118 118 GLU H H 118 9.339 9.339 8.933 0.406 18728 19918 1 20 . 1 1 119 119 HIS N N 119 113.514 113.514 115.049 -1.535 18728 19919 1 20 . 1 1 119 119 HIS HA H 119 4.265 4.265 4.220 0.045 18728 19920 1 20 . 1 1 119 119 HIS C C 119 176.566 176.566 177.755 -1.189 18728 19921 1 20 . 1 1 119 119 HIS CA C 119 58.917 58.917 60.060 -1.143 18728 19922 1 20 . 1 1 119 119 HIS CB C 119 28.187 28.187 29.010 -0.823 18728 19923 1 20 . 1 1 119 119 HIS H H 119 8.240 8.240 8.487 -0.247 18728 19924 1 20 . 1 1 120 120 HIS N N 120 118.629 118.629 118.316 0.313 18728 19925 1 20 . 1 1 120 120 HIS HA H 120 4.332 4.332 4.261 0.071 18728 19926 1 20 . 1 1 120 120 HIS C C 120 179.713 179.713 177.440 2.273 18728 19927 1 20 . 1 1 120 120 HIS CA C 120 60.310 60.310 60.219 0.091 18728 19928 1 20 . 1 1 120 120 HIS CB C 120 32.233 32.233 29.906 2.327 18728 19929 1 20 . 1 1 120 120 HIS H H 120 6.474 6.474 7.442 -0.968 18728 19930 1 20 . 1 1 121 121 LEU N N 121 117.249 117.249 115.949 1.300 18728 19931 1 20 . 1 1 121 121 LEU HA H 121 4.179 4.179 4.427 -0.248 18728 19932 1 20 . 1 1 121 121 LEU C C 121 178.020 178.020 178.468 -0.448 18728 19933 1 20 . 1 1 121 121 LEU CA C 121 57.924 57.924 58.043 -0.119 18728 19934 1 20 . 1 1 121 121 LEU CB C 121 42.577 42.577 41.320 1.257 18728 19935 1 20 . 1 1 121 121 LEU H H 121 7.132 7.132 7.651 -0.519 18728 19936 1 20 . 1 1 122 122 ARG N N 122 121.766 121.766 121.423 0.343 18728 19937 1 20 . 1 1 122 122 ARG HA H 122 3.741 3.741 4.023 -0.282 18728 19938 1 20 . 1 1 122 122 ARG C C 122 177.023 177.023 178.067 -1.044 18728 19939 1 20 . 1 1 122 122 ARG CA C 122 60.508 60.508 59.997 0.511 18728 19940 1 20 . 1 1 122 122 ARG CB C 122 30.256 30.256 29.780 0.476 18728 19941 1 20 . 1 1 122 122 ARG H H 122 8.759 8.759 8.966 -0.207 18728 19942 1 20 . 1 1 123 123 ASP N N 123 116.299 116.299 117.691 -1.392 18728 19943 1 20 . 1 1 123 123 ASP HA H 123 4.294 4.294 4.434 -0.140 18728 19944 1 20 . 1 1 123 123 ASP C C 123 178.057 178.057 178.384 -0.327 18728 19945 1 20 . 1 1 123 123 ASP CA C 123 57.076 57.076 57.119 -0.043 18728 19946 1 20 . 1 1 123 123 ASP CB C 123 40.572 40.572 40.871 -0.299 18728 19947 1 20 . 1 1 123 123 ASP H H 123 8.423 8.423 8.012 0.411 18728 19948 1 20 . 1 1 124 124 TYR N N 124 115.172 115.172 120.187 -5.015 18728 19949 1 20 . 1 1 124 124 TYR HA H 124 4.338 4.338 4.244 0.094 18728 19950 1 20 . 1 1 124 124 TYR C C 124 177.688 177.688 177.768 -0.080 18728 19951 1 20 . 1 1 124 124 TYR CA C 124 61.660 61.660 61.288 0.372 18728 19952 1 20 . 1 1 124 124 TYR CB C 124 39.847 39.847 38.896 0.951 18728 19953 1 20 . 1 1 124 124 TYR H H 124 7.212 7.212 7.494 -0.282 18728 19954 1 20 . 1 1 125 125 PHE N N 125 113.932 113.932 118.077 -4.145 18728 19955 1 20 . 1 1 125 125 PHE HA H 125 4.515 4.515 4.306 0.209 18728 19956 1 20 . 1 1 125 125 PHE C C 125 178.209 178.209 178.344 -0.135 18728 19957 1 20 . 1 1 125 125 PHE CA C 125 63.404 63.404 61.674 1.730 18728 19958 1 20 . 1 1 125 125 PHE CB C 125 38.614 38.614 38.629 -0.015 18728 19959 1 20 . 1 1 125 125 PHE H H 125 8.802 8.802 9.044 -0.242 18728 19960 1 20 . 1 1 126 126 GLU N N 126 120.515 120.515 118.784 1.731 18728 19961 1 20 . 1 1 126 126 GLU HA H 126 4.884 4.884 4.487 0.397 18728 19962 1 20 . 1 1 126 126 GLU C C 126 177.936 177.936 177.284 0.652 18728 19963 1 20 . 1 1 126 126 GLU CA C 126 58.560 58.560 57.897 0.663 18728 19964 1 20 . 1 1 126 126 GLU CB C 126 28.516 28.516 29.271 -0.755 18728 19965 1 20 . 1 1 126 126 GLU H H 126 8.869 8.869 8.225 0.644 18728 19966 1 20 . 1 1 127 127 GLN N N 127 115.855 115.855 116.182 -0.327 18728 19967 1 20 . 1 1 127 127 GLN HA H 127 4.055 4.055 3.987 0.068 18728 19968 1 20 . 1 1 127 127 GLN C C 127 176.656 176.656 177.565 -0.909 18728 19969 1 20 . 1 1 127 127 GLN CA C 127 57.566 57.566 57.812 -0.245 18728 19970 1 20 . 1 1 127 127 GLN CB C 127 29.047 29.047 28.762 0.286 18728 19971 1 20 . 1 1 127 127 GLN H H 127 7.105 7.105 7.659 -0.554 18728 19972 1 20 . 1 1 128 128 TYR N N 128 116.626 116.626 116.373 0.253 18728 19973 1 20 . 1 1 128 128 TYR HA H 128 4.328 4.328 4.425 -0.097 18728 19974 1 20 . 1 1 128 128 TYR C C 128 175.596 175.596 175.295 0.301 18728 19975 1 20 . 1 1 128 128 TYR CA C 128 59.492 59.492 59.638 -0.146 18728 19976 1 20 . 1 1 128 128 TYR CB C 128 39.539 39.539 39.983 -0.444 18728 19977 1 20 . 1 1 128 128 TYR H H 128 7.950 7.950 7.906 0.044 18728 19978 1 20 . 1 1 129 129 GLY N N 129 107.386 107.386 102.330 5.056 18728 19979 1 20 . 1 1 129 129 GLY C C 129 170.407 170.407 171.879 -1.472 18728 19980 1 20 . 1 1 129 129 GLY CA C 129 44.819 44.819 45.146 -0.327 18728 19981 1 20 . 1 1 129 129 GLY H H 129 7.492 7.492 7.539 -0.047 18728 19982 1 20 . 1 1 130 130 LYS N N 130 117.786 117.786 120.439 -2.653 18728 19983 1 20 . 1 1 130 130 LYS HA H 130 4.315 4.315 4.387 -0.072 18728 19984 1 20 . 1 1 130 130 LYS C C 130 177.097 177.097 175.323 1.774 18728 19985 1 20 . 1 1 130 130 LYS CA C 130 56.938 56.938 56.136 0.802 18728 19986 1 20 . 1 1 130 130 LYS CB C 130 33.199 33.199 33.434 -0.235 18728 19987 1 20 . 1 1 130 130 LYS H H 130 8.135 8.135 8.531 -0.396 18728 19988 1 20 . 1 1 131 131 ILE N N 131 127.829 127.829 125.628 2.201 18728 19989 1 20 . 1 1 131 131 ILE HA H 131 3.681 3.681 3.871 -0.190 18728 19990 1 20 . 1 1 131 131 ILE C C 131 175.841 175.841 175.798 0.043 18728 19991 1 20 . 1 1 131 131 ILE CA C 131 61.625 61.625 60.207 1.418 18728 19992 1 20 . 1 1 131 131 ILE CB C 131 40.441 40.441 40.051 0.390 18728 19993 1 20 . 1 1 131 131 ILE H H 131 8.917 8.917 8.402 0.515 18728 19994 1 20 . 1 1 132 132 GLU N N 132 128.437 128.437 127.350 1.087 18728 19995 1 20 . 1 1 132 132 GLU HA H 132 4.320 4.320 4.294 0.026 18728 19996 1 20 . 1 1 132 132 GLU C C 132 176.192 176.192 175.737 0.455 18728 19997 1 20 . 1 1 132 132 GLU CA C 132 57.816 57.816 58.187 -0.370 18728 19998 1 20 . 1 1 132 132 GLU CB C 132 31.670 31.670 31.130 0.541 18728 19999 1 20 . 1 1 132 132 GLU H H 132 9.136 9.136 8.745 0.391 18728 20000 1 20 . 1 1 133 133 VAL N N 133 115.096 115.096 116.788 -1.692 18728 20001 1 20 . 1 1 133 133 VAL HA H 133 4.316 4.316 4.225 0.091 18728 20002 1 20 . 1 1 133 133 VAL C C 133 172.860 172.860 173.643 -0.783 18728 20003 1 20 . 1 1 133 133 VAL CA C 133 61.258 61.258 61.254 0.004 18728 20004 1 20 . 1 1 133 133 VAL CB C 133 35.526 35.526 35.285 0.241 18728 20005 1 20 . 1 1 133 133 VAL H H 133 7.272 7.272 7.482 -0.210 18728 20006 1 20 . 1 1 134 134 ILE N N 134 126.870 126.870 125.007 1.863 18728 20007 1 20 . 1 1 134 134 ILE HA H 134 4.464 4.464 4.404 0.060 18728 20008 1 20 . 1 1 134 134 ILE C C 134 174.004 174.004 174.835 -0.831 18728 20009 1 20 . 1 1 134 134 ILE CA C 134 60.904 60.904 60.547 0.356 18728 20010 1 20 . 1 1 134 134 ILE CB C 134 40.408 40.408 39.601 0.807 18728 20011 1 20 . 1 1 134 134 ILE H H 134 8.566 8.566 8.448 0.118 18728 20012 1 20 . 1 1 135 135 GLU N N 135 128.037 128.037 128.644 -0.607 18728 20013 1 20 . 1 1 135 135 GLU HA H 135 4.642 4.642 4.683 -0.041 18728 20014 1 20 . 1 1 135 135 GLU C C 135 174.883 174.883 175.270 -0.387 18728 20015 1 20 . 1 1 135 135 GLU CA C 135 54.640 54.640 55.200 -0.560 18728 20016 1 20 . 1 1 135 135 GLU CB C 135 33.259 33.259 30.751 2.508 18728 20017 1 20 . 1 1 135 135 GLU H H 135 9.019 9.019 8.798 0.221 18728 20018 1 20 . 1 1 136 136 ILE N N 136 126.668 126.668 125.804 0.864 18728 20019 1 20 . 1 1 136 136 ILE HA H 136 3.898 3.898 4.329 -0.431 18728 20020 1 20 . 1 1 136 136 ILE C C 136 176.157 176.157 175.043 1.114 18728 20021 1 20 . 1 1 136 136 ILE CA C 136 61.336 61.336 59.797 1.540 18728 20022 1 20 . 1 1 136 136 ILE CB C 136 37.397 37.397 37.706 -0.309 18728 20023 1 20 . 1 1 136 136 ILE H H 136 8.967 8.967 8.670 0.297 18728 20024 1 20 . 1 1 137 137 MET N N 137 126.115 126.115 128.901 -2.786 18728 20025 1 20 . 1 1 137 137 MET HA H 137 4.679 4.679 4.770 -0.091 18728 20026 1 20 . 1 1 137 137 MET C C 137 176.723 176.723 175.241 1.482 18728 20027 1 20 . 1 1 137 137 MET CA C 137 55.163 55.163 53.259 1.904 18728 20028 1 20 . 1 1 137 137 MET CB C 137 30.841 30.841 30.914 -0.073 18728 20029 1 20 . 1 1 137 137 MET H H 137 7.656 7.656 8.570 -0.914 18728 20030 1 20 . 1 1 138 138 THR N N 138 116.735 116.735 115.627 1.108 18728 20031 1 20 . 1 1 138 138 THR HA H 138 4.746 4.746 4.915 -0.169 18728 20032 1 20 . 1 1 138 138 THR C C 138 173.642 173.642 173.926 -0.284 18728 20033 1 20 . 1 1 138 138 THR CA C 138 60.385 60.385 59.994 0.391 18728 20034 1 20 . 1 1 138 138 THR CB C 138 72.028 72.028 71.924 0.104 18728 20035 1 20 . 1 1 138 138 THR H H 138 8.551 8.551 8.244 0.307 18728 20036 1 20 . 1 1 139 139 ASP N N 139 123.899 123.899 121.158 2.741 18728 20037 1 20 . 1 1 139 139 ASP HA H 139 4.677 4.677 4.872 -0.195 18728 20038 1 20 . 1 1 139 139 ASP CA C 139 53.728 53.728 52.841 0.887 18728 20039 1 20 . 1 1 139 139 ASP CB C 139 42.270 42.270 43.541 -1.271 18728 20040 1 20 . 1 1 139 139 ASP H H 139 8.818 8.818 8.456 0.362 18728 20041 1 20 . 1 1 140 140 ARG HA H 140 4.037 4.037 4.154 -0.117 18728 20042 1 20 . 1 1 140 140 ARG C C 140 177.886 177.886 177.379 0.507 18728 20043 1 20 . 1 1 140 140 ARG CB C 140 29.886 29.886 30.185 -0.299 18728 20044 1 20 . 1 1 141 141 GLY N N 141 107.951 107.951 107.535 0.416 18728 20045 1 20 . 1 1 141 141 GLY C C 141 174.861 174.861 175.982 -1.121 18728 20046 1 20 . 1 1 141 141 GLY CA C 141 46.490 46.490 45.802 0.688 18728 20047 1 20 . 1 1 141 141 GLY H H 141 8.635 8.635 8.080 0.555 18728 20048 1 20 . 1 1 142 142 SER N N 142 114.044 114.044 116.454 -2.410 18728 20049 1 20 . 1 1 142 142 SER HA H 142 4.533 4.533 4.483 0.050 18728 20050 1 20 . 1 1 142 142 SER C C 142 176.080 176.080 175.862 0.218 18728 20051 1 20 . 1 1 142 142 SER CA C 142 58.429 58.429 58.491 -0.062 18728 20052 1 20 . 1 1 142 142 SER CB C 142 65.439 65.439 64.981 0.458 18728 20053 1 20 . 1 1 142 142 SER H H 142 8.034 8.034 8.924 -0.890 18728 20054 1 20 . 1 1 143 143 GLY N N 143 112.348 112.348 110.946 1.402 18728 20055 1 20 . 1 1 143 143 GLY C C 143 173.949 173.949 173.775 0.174 18728 20056 1 20 . 1 1 143 143 GLY CA C 143 45.703 45.703 45.430 0.273 18728 20057 1 20 . 1 1 143 143 GLY H H 143 8.363 8.363 7.935 0.428 18728 20058 1 20 . 1 1 144 144 LYS N N 144 119.966 119.966 121.354 -1.388 18728 20059 1 20 . 1 1 144 144 LYS HA H 144 4.273 4.273 4.485 -0.212 18728 20060 1 20 . 1 1 144 144 LYS C C 144 176.969 176.969 176.648 0.321 18728 20061 1 20 . 1 1 144 144 LYS CA C 144 56.145 56.145 53.994 2.151 18728 20062 1 20 . 1 1 144 144 LYS CB C 144 33.378 33.378 33.032 0.346 18728 20063 1 20 . 1 1 144 144 LYS H H 144 7.786 7.786 7.470 0.316 18728 20064 1 20 . 1 1 145 145 LYS N N 145 123.668 123.668 124.054 -0.386 18728 20065 1 20 . 1 1 145 145 LYS HA H 145 4.187 4.187 4.292 -0.105 18728 20066 1 20 . 1 1 145 145 LYS C C 145 177.498 177.498 177.350 0.148 18728 20067 1 20 . 1 1 145 145 LYS CA C 145 57.392 57.392 57.012 0.380 18728 20068 1 20 . 1 1 145 145 LYS CB C 145 32.577 32.577 32.917 -0.340 18728 20069 1 20 . 1 1 145 145 LYS H H 145 8.968 8.968 8.628 0.340 18728 20070 1 20 . 1 1 146 146 ARG N N 146 119.700 119.700 124.986 -5.286 18728 20071 1 20 . 1 1 146 146 ARG HA H 146 4.294 4.294 4.185 0.109 18728 20072 1 20 . 1 1 146 146 ARG CA C 146 56.365 56.365 56.196 0.169 18728 20073 1 20 . 1 1 146 146 ARG CB C 146 30.786 30.786 29.682 1.104 18728 20074 1 20 . 1 1 146 146 ARG H H 146 8.095 8.095 8.854 -0.759 18728 20075 1 20 . 1 1 147 147 GLY N N 147 110.572 110.572 106.633 3.939 18728 20076 1 20 . 1 1 147 147 GLY C C 147 173.384 173.384 173.634 -0.250 18728 20077 1 20 . 1 1 147 147 GLY CA C 147 45.440 45.440 45.162 0.278 18728 20078 1 20 . 1 1 147 147 GLY H H 147 8.401 8.401 8.523 -0.122 18728 20079 1 20 . 1 1 148 148 PHE N N 148 114.199 114.199 114.531 -0.332 18728 20080 1 20 . 1 1 148 148 PHE HA H 148 5.194 5.194 5.221 -0.027 18728 20081 1 20 . 1 1 148 148 PHE C C 148 172.409 172.409 172.670 -0.261 18728 20082 1 20 . 1 1 148 148 PHE CA C 148 55.282 55.282 55.196 0.086 18728 20083 1 20 . 1 1 148 148 PHE CB C 148 41.869 41.869 40.774 1.095 18728 20084 1 20 . 1 1 148 148 PHE H H 148 7.255 7.255 6.948 0.307 18728 20085 1 20 . 1 1 149 149 ALA N N 149 121.427 121.427 119.628 1.799 18728 20086 1 20 . 1 1 149 149 ALA HA H 149 4.966 4.966 4.911 0.055 18728 20087 1 20 . 1 1 149 149 ALA C C 149 174.084 174.084 174.526 -0.442 18728 20088 1 20 . 1 1 149 149 ALA CA C 149 49.755 49.755 50.794 -1.039 18728 20089 1 20 . 1 1 149 149 ALA CB C 149 25.094 25.094 22.664 2.430 18728 20090 1 20 . 1 1 149 149 ALA H H 149 8.786 8.786 8.910 -0.124 18728 20091 1 20 . 1 1 150 150 PHE N N 150 114.425 114.425 116.169 -1.744 18728 20092 1 20 . 1 1 150 150 PHE HA H 150 5.874 5.874 5.412 0.462 18728 20093 1 20 . 1 1 150 150 PHE C C 150 176.196 176.196 174.251 1.945 18728 20094 1 20 . 1 1 150 150 PHE CA C 150 56.070 56.070 57.365 -1.295 18728 20095 1 20 . 1 1 150 150 PHE CB C 150 43.251 43.251 44.484 -1.233 18728 20096 1 20 . 1 1 150 150 PHE H H 150 8.689 8.689 9.207 -0.518 18728 20097 1 20 . 1 1 151 151 VAL N N 151 122.489 122.489 121.179 1.310 18728 20098 1 20 . 1 1 151 151 VAL HA H 151 4.375 4.375 4.586 -0.211 18728 20099 1 20 . 1 1 151 151 VAL C C 151 173.932 173.932 173.894 0.038 18728 20100 1 20 . 1 1 151 151 VAL CA C 151 61.454 61.454 60.856 0.598 18728 20101 1 20 . 1 1 151 151 VAL CB C 151 33.869 33.869 35.836 -1.967 18728 20102 1 20 . 1 1 151 151 VAL H H 151 8.559 8.559 8.462 0.097 18728 20103 1 20 . 1 1 152 152 THR N N 152 123.112 123.112 125.853 -2.741 18728 20104 1 20 . 1 1 152 152 THR HA H 152 4.995 4.995 4.784 0.211 18728 20105 1 20 . 1 1 152 152 THR C C 152 174.047 174.047 173.665 0.382 18728 20106 1 20 . 1 1 152 152 THR CA C 152 61.931 61.931 62.588 -0.657 18728 20107 1 20 . 1 1 152 152 THR CB C 152 69.689 69.689 69.563 0.126 18728 20108 1 20 . 1 1 152 152 THR H H 152 8.723 8.723 8.805 -0.082 18728 20109 1 20 . 1 1 153 153 PHE N N 153 127.746 127.746 127.123 0.623 18728 20110 1 20 . 1 1 153 153 PHE HA H 153 4.840 4.840 4.611 0.229 18728 20111 1 20 . 1 1 153 153 PHE C C 153 174.720 174.720 174.991 -0.271 18728 20112 1 20 . 1 1 153 153 PHE CA C 153 58.098 58.098 58.572 -0.474 18728 20113 1 20 . 1 1 153 153 PHE CB C 153 41.706 41.706 41.162 0.544 18728 20114 1 20 . 1 1 153 153 PHE H H 153 9.368 9.368 9.268 0.100 18728 20115 1 20 . 1 1 154 154 ASP N N 154 118.371 118.371 120.188 -1.817 18728 20116 1 20 . 1 1 154 154 ASP HA H 154 4.486 4.486 4.703 -0.217 18728 20117 1 20 . 1 1 154 154 ASP C C 154 175.668 175.668 175.434 0.234 18728 20118 1 20 . 1 1 154 154 ASP CA C 154 56.114 56.114 56.404 -0.290 18728 20119 1 20 . 1 1 154 154 ASP CB C 154 42.576 42.576 42.767 -0.191 18728 20120 1 20 . 1 1 154 154 ASP H H 154 8.196 8.196 8.841 -0.645 18728 20121 1 20 . 1 1 155 155 ASP N N 155 117.144 117.144 116.042 1.102 18728 20122 1 20 . 1 1 155 155 ASP HA H 155 4.909 4.909 4.924 -0.015 18728 20123 1 20 . 1 1 155 155 ASP C C 155 176.392 176.392 176.043 0.349 18728 20124 1 20 . 1 1 155 155 ASP CA C 155 52.615 52.615 52.720 -0.105 18728 20125 1 20 . 1 1 155 155 ASP CB C 155 44.471 44.471 44.410 0.061 18728 20126 1 20 . 1 1 155 155 ASP H H 155 8.323 8.323 7.630 0.693 18728 20127 1 20 . 1 1 156 156 HIS N N 156 121.508 121.508 120.614 0.894 18728 20128 1 20 . 1 1 156 156 HIS HA H 156 4.336 4.336 4.584 -0.248 18728 20129 1 20 . 1 1 156 156 HIS C C 156 176.855 176.855 176.396 0.459 18728 20130 1 20 . 1 1 156 156 HIS CA C 156 58.593 58.593 57.553 1.040 18728 20131 1 20 . 1 1 156 156 HIS CB C 156 29.703 29.703 29.828 -0.125 18728 20132 1 20 . 1 1 156 156 HIS H H 156 8.492 8.492 8.580 -0.088 18728 20133 1 20 . 1 1 157 157 ASP N N 157 122.539 122.539 119.586 2.953 18728 20134 1 20 . 1 1 157 157 ASP HA H 157 4.254 4.254 4.178 0.076 18728 20135 1 20 . 1 1 157 157 ASP C C 157 178.233 178.233 178.016 0.217 18728 20136 1 20 . 1 1 157 157 ASP CA C 157 57.047 57.047 57.687 -0.639 18728 20137 1 20 . 1 1 157 157 ASP CB C 157 40.875 40.875 40.552 0.323 18728 20138 1 20 . 1 1 157 157 ASP H H 157 8.345 8.345 7.894 0.451 18728 20139 1 20 . 1 1 158 158 SER N N 158 113.623 113.623 113.711 -0.088 18728 20140 1 20 . 1 1 158 158 SER HA H 158 3.899 3.899 4.134 -0.235 18728 20141 1 20 . 1 1 158 158 SER C C 158 174.750 174.750 175.902 -1.152 18728 20142 1 20 . 1 1 158 158 SER CA C 158 61.914 61.914 61.250 0.664 18728 20143 1 20 . 1 1 158 158 SER CB C 158 63.088 63.088 62.782 0.306 18728 20144 1 20 . 1 1 158 158 SER H H 158 7.424 7.424 8.234 -0.810 18728 20145 1 20 . 1 1 159 159 VAL N N 159 118.448 118.448 122.113 -3.665 18728 20146 1 20 . 1 1 159 159 VAL HA H 159 2.913 2.913 3.154 -0.241 18728 20147 1 20 . 1 1 159 159 VAL C C 159 177.269 177.269 177.085 0.184 18728 20148 1 20 . 1 1 159 159 VAL CA C 159 66.512 66.512 66.086 0.426 18728 20149 1 20 . 1 1 159 159 VAL CB C 159 31.395 31.395 31.561 -0.166 18728 20150 1 20 . 1 1 159 159 VAL H H 159 6.484 6.484 6.915 -0.431 18728 20151 1 20 . 1 1 160 160 ASP N N 160 119.064 119.064 119.919 -0.855 18728 20152 1 20 . 1 1 160 160 ASP HA H 160 4.275 4.275 4.302 -0.027 18728 20153 1 20 . 1 1 160 160 ASP C C 160 178.284 178.284 178.337 -0.053 18728 20154 1 20 . 1 1 160 160 ASP CA C 160 57.798 57.798 57.480 0.318 18728 20155 1 20 . 1 1 160 160 ASP CB C 160 40.288 40.288 40.911 -0.623 18728 20156 1 20 . 1 1 160 160 ASP H H 160 7.663 7.663 8.097 -0.434 18728 20157 1 20 . 1 1 161 161 LYS N N 161 116.568 116.568 118.654 -2.086 18728 20158 1 20 . 1 1 161 161 LYS HA H 161 4.030 4.030 4.022 0.008 18728 20159 1 20 . 1 1 161 161 LYS C C 161 178.205 178.205 178.347 -0.142 18728 20160 1 20 . 1 1 161 161 LYS CA C 161 58.796 58.796 59.448 -0.652 18728 20161 1 20 . 1 1 161 161 LYS CB C 161 33.298 33.298 32.612 0.686 18728 20162 1 20 . 1 1 161 161 LYS H H 161 7.465 7.465 7.742 -0.277 18728 20163 1 20 . 1 1 162 162 ILE N N 162 119.457 119.457 116.621 2.836 18728 20164 1 20 . 1 1 162 162 ILE HA H 162 3.241 3.241 3.693 -0.452 18728 20165 1 20 . 1 1 162 162 ILE C C 162 179.129 179.129 177.893 1.236 18728 20166 1 20 . 1 1 162 162 ILE CA C 162 65.201 65.201 64.125 1.076 18728 20167 1 20 . 1 1 162 162 ILE CB C 162 39.170 39.170 38.038 1.132 18728 20168 1 20 . 1 1 162 162 ILE H H 162 7.367 7.367 6.976 0.391 18728 20169 1 20 . 1 1 163 163 VAL N N 163 109.705 109.705 117.128 -7.423 18728 20170 1 20 . 1 1 163 163 VAL HA H 163 4.093 4.093 4.009 0.084 18728 20171 1 20 . 1 1 163 163 VAL C C 163 176.685 176.685 176.792 -0.107 18728 20172 1 20 . 1 1 163 163 VAL CA C 163 64.137 64.137 64.623 -0.486 18728 20173 1 20 . 1 1 163 163 VAL CB C 163 30.720 30.720 31.159 -0.439 18728 20174 1 20 . 1 1 163 163 VAL H H 163 7.814 7.814 7.658 0.156 18728 20175 1 20 . 1 1 164 164 ILE N N 164 118.885 118.885 118.818 0.067 18728 20176 1 20 . 1 1 164 164 ILE HA H 164 3.968 3.968 3.865 0.103 18728 20177 1 20 . 1 1 164 164 ILE C C 164 176.006 176.006 176.133 -0.127 18728 20178 1 20 . 1 1 164 164 ILE CA C 164 63.328 63.328 63.410 -0.083 18728 20179 1 20 . 1 1 164 164 ILE CB C 164 38.136 38.136 38.195 -0.059 18728 20180 1 20 . 1 1 164 164 ILE H H 164 6.979 6.979 7.210 -0.231 18728 20181 1 20 . 1 1 165 165 GLN N N 165 120.509 120.509 117.644 2.865 18728 20182 1 20 . 1 1 165 165 GLN HA H 165 4.472 4.472 4.447 0.025 18728 20183 1 20 . 1 1 165 165 GLN C C 165 174.808 174.808 175.022 -0.214 18728 20184 1 20 . 1 1 165 165 GLN CA C 165 54.743 54.743 54.352 0.391 18728 20185 1 20 . 1 1 165 165 GLN CB C 165 30.183 30.183 28.852 1.331 18728 20186 1 20 . 1 1 165 165 GLN H H 165 7.490 7.490 7.752 -0.262 18728 20187 1 20 . 1 1 166 166 LYS N N 166 122.953 122.953 123.924 -0.971 18728 20188 1 20 . 1 1 166 166 LYS HA H 166 3.992 3.992 4.074 -0.082 18728 20189 1 20 . 1 1 166 166 LYS C C 166 175.496 175.496 175.611 -0.115 18728 20190 1 20 . 1 1 166 166 LYS CA C 166 59.718 59.718 58.992 0.726 18728 20191 1 20 . 1 1 166 166 LYS CB C 166 33.115 33.115 33.059 0.056 18728 20192 1 20 . 1 1 166 166 LYS H H 166 8.085 8.085 8.704 -0.619 18728 20193 1 20 . 1 1 167 167 TYR N N 167 114.210 114.210 114.323 -0.113 18728 20194 1 20 . 1 1 167 167 TYR HA H 167 5.457 5.457 5.483 -0.026 18728 20195 1 20 . 1 1 167 167 TYR C C 167 175.593 175.593 175.921 -0.328 18728 20196 1 20 . 1 1 167 167 TYR CA C 167 56.417 56.417 56.932 -0.515 18728 20197 1 20 . 1 1 167 167 TYR CB C 167 40.057 40.057 41.284 -1.227 18728 20198 1 20 . 1 1 167 167 TYR H H 167 7.740 7.740 7.691 0.049 18728 20199 1 20 . 1 1 168 168 HIS N N 168 122.617 122.617 121.863 0.754 18728 20200 1 20 . 1 1 168 168 HIS HA H 168 4.526 4.526 5.052 -0.526 18728 20201 1 20 . 1 1 168 168 HIS C C 168 174.213 174.213 174.681 -0.468 18728 20202 1 20 . 1 1 168 168 HIS CA C 168 55.233 55.233 55.147 0.086 18728 20203 1 20 . 1 1 168 168 HIS CB C 168 34.906 34.906 34.033 0.872 18728 20204 1 20 . 1 1 168 168 HIS H H 168 9.035 9.035 9.340 -0.305 18728 20205 1 20 . 1 1 169 169 THR N N 169 121.981 121.981 119.481 2.500 18728 20206 1 20 . 1 1 169 169 THR HA H 169 4.722 4.722 5.027 -0.305 18728 20207 1 20 . 1 1 169 169 THR C C 169 172.973 172.973 173.426 -0.453 18728 20208 1 20 . 1 1 169 169 THR CA C 169 61.620 61.620 61.931 -0.311 18728 20209 1 20 . 1 1 169 169 THR CB C 169 68.692 68.692 69.584 -0.892 18728 20210 1 20 . 1 1 169 169 THR H H 169 8.784 8.784 8.702 0.082 18728 20211 1 20 . 1 1 170 170 VAL N N 170 125.540 125.540 126.042 -0.502 18728 20212 1 20 . 1 1 170 170 VAL HA H 170 3.751 3.751 4.135 -0.384 18728 20213 1 20 . 1 1 170 170 VAL C C 170 175.997 175.997 174.921 1.076 18728 20214 1 20 . 1 1 170 170 VAL CA C 170 60.770 60.770 59.484 1.286 18728 20215 1 20 . 1 1 170 170 VAL CB C 170 34.216 34.216 33.420 0.796 18728 20216 1 20 . 1 1 170 170 VAL H H 170 8.268 8.268 8.804 -0.536 18728 20217 1 20 . 1 1 171 171 ASN N N 171 126.811 126.811 127.835 -1.024 18728 20218 1 20 . 1 1 171 171 ASN HA H 171 4.065 4.065 4.459 -0.394 18728 20219 1 20 . 1 1 171 171 ASN C C 171 174.266 174.266 175.387 -1.121 18728 20220 1 20 . 1 1 171 171 ASN CA C 171 53.184 53.184 53.330 -0.146 18728 20221 1 20 . 1 1 171 171 ASN CB C 171 37.436 37.436 38.031 -0.595 18728 20222 1 20 . 1 1 171 171 ASN H H 171 9.437 9.437 9.270 0.167 18728 20223 1 20 . 1 1 172 172 GLY N N 172 100.629 100.629 103.131 -2.502 18728 20224 1 20 . 1 1 172 172 GLY C C 172 173.335 173.335 173.440 -0.105 18728 20225 1 20 . 1 1 172 172 GLY CA C 172 45.154 45.154 45.174 -0.020 18728 20226 1 20 . 1 1 172 172 GLY H H 172 8.194 8.194 8.378 -0.184 18728 20227 1 20 . 1 1 173 173 HIS N N 173 119.555 119.555 121.208 -1.653 18728 20228 1 20 . 1 1 173 173 HIS HA H 173 4.860 4.860 4.708 0.152 18728 20229 1 20 . 1 1 173 173 HIS CA C 173 53.723 53.723 55.294 -1.571 18728 20230 1 20 . 1 1 173 173 HIS CB C 173 31.589 31.589 31.511 0.078 18728 20231 1 20 . 1 1 173 173 HIS H H 173 7.657 7.657 7.713 -0.056 18728 20232 1 20 . 1 1 174 174 ASN N N 174 122.936 122.936 123.826 -0.890 18728 20233 1 20 . 1 1 174 174 ASN HA H 174 4.794 4.794 5.373 -0.579 18728 20234 1 20 . 1 1 174 174 ASN C C 174 174.918 174.918 174.150 0.768 18728 20235 1 20 . 1 1 174 174 ASN CA C 174 53.748 53.748 52.411 1.337 18728 20236 1 20 . 1 1 174 174 ASN CB C 174 38.185 38.185 40.854 -2.669 18728 20237 1 20 . 1 1 174 174 ASN H H 174 8.828 8.828 8.186 0.642 18728 20238 1 20 . 1 1 175 175 CYS N N 175 126.425 126.425 120.741 5.684 18728 20239 1 20 . 1 1 175 175 CYS HA H 175 4.872 4.872 5.194 -0.322 18728 20240 1 20 . 1 1 175 175 CYS C C 175 173.853 173.853 173.159 0.694 18728 20241 1 20 . 1 1 175 175 CYS CA C 175 59.380 59.380 56.187 3.193 18728 20242 1 20 . 1 1 175 175 CYS CB C 175 29.966 29.966 31.478 -1.512 18728 20243 1 20 . 1 1 175 175 CYS H H 175 9.078 9.078 8.977 0.101 18728 20244 1 20 . 1 1 176 176 GLU N N 176 124.488 124.488 122.153 2.335 18728 20245 1 20 . 1 1 176 176 GLU HA H 176 4.661 4.661 4.774 -0.113 18728 20246 1 20 . 1 1 176 176 GLU C C 176 175.343 175.343 175.027 0.316 18728 20247 1 20 . 1 1 176 176 GLU CA C 176 55.296 55.296 55.365 -0.069 18728 20248 1 20 . 1 1 176 176 GLU CB C 176 31.550 31.550 31.334 0.216 18728 20249 1 20 . 1 1 176 176 GLU H H 176 8.161 8.161 8.878 -0.717 18728 20250 1 20 . 1 1 177 177 VAL N N 177 122.521 122.521 126.343 -3.822 18728 20251 1 20 . 1 1 177 177 VAL HA H 177 5.628 5.628 5.454 0.174 18728 20252 1 20 . 1 1 177 177 VAL C C 177 175.720 175.720 174.353 1.367 18728 20253 1 20 . 1 1 177 177 VAL CA C 177 59.713 59.713 60.601 -0.888 18728 20254 1 20 . 1 1 177 177 VAL CB C 177 34.523 34.523 34.759 -0.236 18728 20255 1 20 . 1 1 177 177 VAL H H 177 8.684 8.684 8.954 -0.270 18728 20256 1 20 . 1 1 178 178 ARG N N 178 119.915 119.915 122.581 -2.666 18728 20257 1 20 . 1 1 178 178 ARG HA H 178 4.746 4.746 4.721 0.025 18728 20258 1 20 . 1 1 178 178 ARG C C 178 175.689 175.689 174.694 0.995 18728 20259 1 20 . 1 1 178 178 ARG CA C 178 54.212 54.212 54.382 -0.169 18728 20260 1 20 . 1 1 178 178 ARG CB C 178 34.184 34.184 33.350 0.834 18728 20261 1 20 . 1 1 178 178 ARG H H 178 8.701 8.701 8.639 0.062 18728 20262 1 20 . 1 1 179 179 LYS N N 179 121.001 121.001 120.779 0.222 18728 20263 1 20 . 1 1 179 179 LYS HA H 179 4.098 4.098 4.175 -0.077 18728 20264 1 20 . 1 1 179 179 LYS C C 179 176.026 176.026 176.136 -0.110 18728 20265 1 20 . 1 1 179 179 LYS CA C 179 59.027 59.027 56.775 2.252 18728 20266 1 20 . 1 1 179 179 LYS CB C 179 33.377 33.377 31.896 1.481 18728 20267 1 20 . 1 1 179 179 LYS H H 179 8.990 8.990 8.220 0.770 18728 20268 1 20 . 1 1 180 180 ALA N N 180 126.810 126.810 129.288 -2.478 18728 20269 1 20 . 1 1 180 180 ALA HA H 180 4.565 4.565 4.674 -0.109 18728 20270 1 20 . 1 1 180 180 ALA C C 180 175.318 175.318 175.497 -0.179 18728 20271 1 20 . 1 1 180 180 ALA CA C 180 51.432 51.432 50.962 0.471 18728 20272 1 20 . 1 1 180 180 ALA CB C 180 19.201 19.201 20.824 -1.623 18728 20273 1 20 . 1 1 180 180 ALA H H 180 8.378 8.378 8.456 -0.078 18728 20274 1 20 . 1 1 181 181 LEU N N 181 122.300 122.300 124.187 -1.887 18728 20275 1 20 . 1 1 181 181 LEU HA H 181 4.401 4.401 4.590 -0.189 18728 20276 1 20 . 1 1 181 181 LEU CA C 181 54.737 54.737 53.295 1.442 18728 20277 1 20 . 1 1 181 181 LEU CB C 181 43.199 43.199 43.430 -0.231 18728 20278 1 20 . 1 1 181 181 LEU H H 181 8.001 8.001 8.035 -0.034 18728 20279 1 20 . 1 1 182 182 SER HA H 182 4.406 4.406 4.332 0.074 18728 20280 1 20 . 1 1 182 182 SER CA C 182 58.100 58.100 58.200 -0.101 18728 20281 1 20 . 1 1 182 182 SER CB C 182 64.440 64.440 64.334 0.106 18728 20282 1 20 . 1 1 183 183 LYS HA H 183 4.101 4.101 4.038 0.063 18728 20283 1 20 . 1 1 183 183 LYS C C 183 177.343 177.343 178.762 -1.419 18728 20284 1 20 . 1 1 183 183 LYS CA C 183 57.744 57.744 58.678 -0.934 18728 20285 1 20 . 1 1 183 183 LYS CB C 183 32.586 32.586 32.023 0.563 18728 20286 1 20 . 1 1 184 184 GLN N N 184 120.056 120.056 119.403 0.653 18728 20287 1 20 . 1 1 184 184 GLN HA H 184 4.167 4.167 4.052 0.115 18728 20288 1 20 . 1 1 184 184 GLN C C 184 176.718 176.718 177.520 -0.802 18728 20289 1 20 . 1 1 184 184 GLN CA C 184 56.981 56.981 58.915 -1.934 18728 20290 1 20 . 1 1 184 184 GLN CB C 184 28.990 28.990 28.445 0.545 18728 20291 1 20 . 1 1 184 184 GLN H H 184 8.320 8.320 8.130 0.190 18728 20292 1 20 . 1 1 185 185 GLU N N 185 121.610 121.610 119.445 2.165 18728 20293 1 20 . 1 1 185 185 GLU HA H 185 4.132 4.132 4.090 0.042 18728 20294 1 20 . 1 1 185 185 GLU C C 185 177.117 177.117 179.146 -2.029 18728 20295 1 20 . 1 1 185 185 GLU CA C 185 57.234 57.234 58.807 -1.573 18728 20296 1 20 . 1 1 185 185 GLU CB C 185 30.235 30.235 29.120 1.115 18728 20297 1 20 . 1 1 185 185 GLU H H 185 8.143 8.143 7.738 0.405 18728 20298 1 20 . 1 1 186 186 MET N N 186 120.092 120.092 117.793 2.299 18728 20299 1 20 . 1 1 186 186 MET HA H 186 4.289 4.289 4.216 0.073 18728 20300 1 20 . 1 1 186 186 MET C C 186 176.438 176.438 178.333 -1.895 18728 20301 1 20 . 1 1 186 186 MET CA C 186 56.069 56.069 57.786 -1.717 18728 20302 1 20 . 1 1 186 186 MET CB C 186 32.847 32.847 32.434 0.413 18728 20303 1 20 . 1 1 186 186 MET H H 186 8.195 8.195 8.084 0.111 18728 20304 1 20 . 1 1 187 187 ALA N N 187 124.104 124.104 119.512 4.592 18728 20305 1 20 . 1 1 187 187 ALA HA H 187 4.297 4.297 4.289 0.008 18728 20306 1 20 . 1 1 187 187 ALA C C 187 178.107 178.107 177.669 0.438 18728 20307 1 20 . 1 1 187 187 ALA CA C 187 52.912 52.912 52.847 0.065 18728 20308 1 20 . 1 1 187 187 ALA CB C 187 19.060 19.060 19.566 -0.506 18728 20309 1 20 . 1 1 187 187 ALA H H 187 8.060 8.060 8.056 0.004 18728 20310 1 20 . 1 1 188 188 SER N N 188 114.374 114.374 110.155 4.219 18728 20311 1 20 . 1 1 188 188 SER HA H 188 4.357 4.357 4.140 0.217 18728 20312 1 20 . 1 1 188 188 SER C C 188 174.757 174.757 173.835 0.922 18728 20313 1 20 . 1 1 188 188 SER CA C 188 58.598 58.598 59.331 -0.733 18728 20314 1 20 . 1 1 188 188 SER CB C 188 63.734 63.734 61.420 2.314 18728 20315 1 20 . 1 1 188 188 SER H H 188 8.173 8.173 8.119 0.054 18728 20316 1 20 . 1 1 189 189 ALA N N 189 125.637 125.637 121.689 3.948 18728 20317 1 20 . 1 1 189 189 ALA HA H 189 4.246 4.246 4.380 -0.134 18728 20318 1 20 . 1 1 189 189 ALA CA C 189 53.015 53.015 51.581 1.434 18728 20319 1 20 . 1 1 189 189 ALA CB C 189 19.069 19.069 20.923 -1.854 18728 20320 1 20 . 1 1 189 189 ALA H H 189 8.207 8.207 7.356 0.851 18728 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 169 2.525 0.183 2.526 18728 2 1 1 "Average Difference" HA 195 0.255 0.051 0.250 18728 3 1 1 "Average Difference" C 165 0.985 -0.043 0.987 18728 4 1 1 "Average Difference" CA 180 1.023 -0.160 1.014 18728 5 1 1 "Average Difference" CB 165 1.007 -0.073 1.007 18728 6 1 1 "Average Difference" HN 170 0.474 -0.009 0.475 18728 7 1 2 "Average Difference" N 169 2.654 0.203 2.654 18728 8 1 2 "Average Difference" HA 195 0.258 0.052 0.254 18728 9 1 2 "Average Difference" C 165 1.026 -0.030 1.029 18728 10 1 2 "Average Difference" CA 180 1.011 -0.150 1.003 18728 11 1 2 "Average Difference" CB 165 1.002 -0.067 1.003 18728 12 1 2 "Average Difference" HN 170 0.456 -0.030 0.456 18728 13 1 3 "Average Difference" N 169 2.609 0.120 2.613 18728 14 1 3 "Average Difference" HA 195 0.263 0.067 0.255 18728 15 1 3 "Average Difference" C 165 0.988 -0.071 0.988 18728 16 1 3 "Average Difference" CA 180 0.985 -0.160 0.975 18728 17 1 3 "Average Difference" CB 165 1.083 -0.050 1.085 18728 18 1 3 "Average Difference" HN 170 0.448 -0.025 0.449 18728 19 1 4 "Average Difference" N 169 2.633 0.176 2.635 18728 20 1 4 "Average Difference" HA 195 0.258 0.058 0.252 18728 21 1 4 "Average Difference" C 165 0.973 -0.088 0.972 18728 22 1 4 "Average Difference" CA 180 1.006 -0.210 0.987 18728 23 1 4 "Average Difference" CB 165 0.994 -0.082 0.993 18728 24 1 4 "Average Difference" HN 170 0.489 -0.031 0.490 18728 25 1 5 "Average Difference" N 169 2.647 0.239 2.644 18728 26 1 5 "Average Difference" HA 195 0.264 0.055 0.259 18728 27 1 5 "Average Difference" C 165 1.024 -0.064 1.025 18728 28 1 5 "Average Difference" CA 180 1.080 -0.174 1.069 18728 29 1 5 "Average Difference" CB 165 0.976 -0.092 0.975 18728 30 1 5 "Average Difference" HN 170 0.489 -0.015 0.490 18728 31 1 6 "Average Difference" N 169 2.646 0.036 2.653 18728 32 1 6 "Average Difference" HA 195 0.273 0.051 0.269 18728 33 1 6 "Average Difference" C 165 1.010 0.006 1.013 18728 34 1 6 "Average Difference" CA 180 1.055 -0.188 1.041 18728 35 1 6 "Average Difference" CB 165 0.979 -0.100 0.977 18728 36 1 6 "Average Difference" HN 170 0.478 -0.010 0.480 18728 37 1 7 "Average Difference" N 169 2.671 0.206 2.671 18728 38 1 7 "Average Difference" HA 195 0.249 0.046 0.245 18728 39 1 7 "Average Difference" C 165 0.998 -0.040 1.000 18728 40 1 7 "Average Difference" CA 180 1.010 -0.139 1.003 18728 41 1 7 "Average Difference" CB 165 1.021 -0.048 1.023 18728 42 1 7 "Average Difference" HN 170 0.496 -0.002 0.497 18728 43 1 8 "Average Difference" N 169 2.718 0.154 2.721 18728 44 1 8 "Average Difference" HA 195 0.258 0.049 0.254 18728 45 1 8 "Average Difference" C 165 1.026 -0.024 1.029 18728 46 1 8 "Average Difference" CA 180 1.042 -0.150 1.034 18728 47 1 8 "Average Difference" CB 165 1.053 -0.110 1.050 18728 48 1 8 "Average Difference" HN 170 0.485 -0.002 0.487 18728 49 1 9 "Average Difference" N 169 2.739 0.109 2.745 18728 50 1 9 "Average Difference" HA 195 0.263 0.054 0.258 18728 51 1 9 "Average Difference" C 165 0.955 -0.072 0.955 18728 52 1 9 "Average Difference" CA 180 1.008 -0.170 0.996 18728 53 1 9 "Average Difference" CB 165 1.055 -0.054 1.057 18728 54 1 9 "Average Difference" HN 170 0.491 -0.026 0.491 18728 55 1 10 "Average Difference" N 169 2.796 0.185 2.798 18728 56 1 10 "Average Difference" HA 195 0.270 0.053 0.266 18728 57 1 10 "Average Difference" C 165 0.991 -0.042 0.993 18728 58 1 10 "Average Difference" CA 180 1.051 -0.194 1.036 18728 59 1 10 "Average Difference" CB 165 1.080 -0.091 1.080 18728 60 1 10 "Average Difference" HN 170 0.488 -0.024 0.489 18728 61 1 11 "Average Difference" N 169 2.661 0.199 2.662 18728 62 1 11 "Average Difference" HA 195 0.258 0.040 0.255 18728 63 1 11 "Average Difference" C 165 1.010 -0.065 1.011 18728 64 1 11 "Average Difference" CA 180 0.983 -0.129 0.977 18728 65 1 11 "Average Difference" CB 165 0.983 -0.088 0.982 18728 66 1 11 "Average Difference" HN 170 0.494 -0.042 0.494 18728 67 1 12 "Average Difference" N 169 2.634 0.228 2.632 18728 68 1 12 "Average Difference" HA 195 0.271 0.059 0.265 18728 69 1 12 "Average Difference" C 165 0.993 -0.082 0.993 18728 70 1 12 "Average Difference" CA 180 1.066 -0.196 1.051 18728 71 1 12 "Average Difference" CB 165 1.085 -0.064 1.086 18728 72 1 12 "Average Difference" HN 170 0.461 -0.012 0.463 18728 73 1 13 "Average Difference" N 169 2.449 0.009 2.456 18728 74 1 13 "Average Difference" HA 195 0.263 0.041 0.260 18728 75 1 13 "Average Difference" C 165 1.010 -0.060 1.011 18728 76 1 13 "Average Difference" CA 180 1.106 -0.118 1.102 18728 77 1 13 "Average Difference" CB 165 1.024 -0.105 1.021 18728 78 1 13 "Average Difference" HN 170 0.486 -0.038 0.486 18728 79 1 14 "Average Difference" N 169 2.699 0.239 2.696 18728 80 1 14 "Average Difference" HA 195 0.258 0.048 0.254 18728 81 1 14 "Average Difference" C 165 1.006 -0.014 1.009 18728 82 1 14 "Average Difference" CA 180 1.019 -0.169 1.007 18728 83 1 14 "Average Difference" CB 165 0.994 -0.048 0.996 18728 84 1 14 "Average Difference" HN 170 0.486 -0.001 0.487 18728 85 1 15 "Average Difference" N 169 2.568 0.121 2.573 18728 86 1 15 "Average Difference" HA 195 0.258 0.057 0.252 18728 87 1 15 "Average Difference" C 165 1.019 -0.034 1.022 18728 88 1 15 "Average Difference" CA 180 1.048 -0.167 1.038 18728 89 1 15 "Average Difference" CB 165 1.062 -0.050 1.064 18728 90 1 15 "Average Difference" HN 170 0.481 -0.013 0.482 18728 91 1 16 "Average Difference" N 169 2.552 0.132 2.557 18728 92 1 16 "Average Difference" HA 195 0.263 0.066 0.256 18728 93 1 16 "Average Difference" C 165 0.980 -0.017 0.983 18728 94 1 16 "Average Difference" CA 180 0.962 -0.182 0.947 18728 95 1 16 "Average Difference" CB 165 0.973 -0.017 0.976 18728 96 1 16 "Average Difference" HN 170 0.497 -0.003 0.498 18728 97 1 17 "Average Difference" N 169 2.613 0.081 2.619 18728 98 1 17 "Average Difference" HA 195 0.272 0.052 0.268 18728 99 1 17 "Average Difference" C 165 0.989 -0.048 0.990 18728 100 1 17 "Average Difference" CA 180 1.029 -0.166 1.018 18728 101 1 17 "Average Difference" CB 165 1.041 -0.092 1.040 18728 102 1 17 "Average Difference" HN 170 0.531 0.004 0.532 18728 103 1 18 "Average Difference" N 169 2.731 0.118 2.736 18728 104 1 18 "Average Difference" HA 195 0.252 0.048 0.248 18728 105 1 18 "Average Difference" C 165 0.992 -0.079 0.992 18728 106 1 18 "Average Difference" CA 180 1.013 -0.186 0.999 18728 107 1 18 "Average Difference" CB 165 0.990 -0.119 0.986 18728 108 1 18 "Average Difference" HN 170 0.478 -0.040 0.478 18728 109 1 19 "Average Difference" N 169 2.627 -0.050 2.634 18728 110 1 19 "Average Difference" HA 195 0.259 0.050 0.255 18728 111 1 19 "Average Difference" C 165 0.992 -0.053 0.994 18728 112 1 19 "Average Difference" CA 180 1.057 -0.190 1.043 18728 113 1 19 "Average Difference" CB 165 1.090 -0.003 1.093 18728 114 1 19 "Average Difference" HN 170 0.509 -0.034 0.509 18728 115 1 20 "Average Difference" N 169 2.691 0.025 2.698 18728 116 1 20 "Average Difference" HA 195 0.256 0.041 0.254 18728 117 1 20 "Average Difference" C 165 0.997 -0.088 0.996 18728 118 1 20 "Average Difference" CA 180 0.958 -0.156 0.948 18728 119 1 20 "Average Difference" CB 165 1.054 0.002 1.057 18728 120 1 20 "Average Difference" HN 170 0.480 -0.047 0.479 18728 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 18728 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 5 5 GLU N N 5 122.509 122.509 123.492 -0.983 18728 2 1 . 1 1 5 5 GLU HA H 5 4.345 4.345 4.401 -0.056 18728 3 1 . 1 1 5 5 GLU C C 5 176.240 176.240 175.535 0.705 18728 4 1 . 1 1 5 5 GLU CA C 5 56.190 56.190 56.238 -0.048 18728 5 1 . 1 1 5 5 GLU CB C 5 30.611 30.611 30.389 0.221 18728 6 1 . 1 1 5 5 GLU H H 5 8.321 8.321 8.186 0.135 18728 7 1 . 1 1 6 6 SER N N 6 118.728 118.728 118.852 -0.124 18728 8 1 . 1 1 6 6 SER HA H 6 4.342 4.342 4.688 -0.346 18728 9 1 . 1 1 6 6 SER CA C 6 56.305 56.305 56.625 -0.320 18728 10 1 . 1 1 6 6 SER CB C 6 63.241 63.241 63.309 -0.068 18728 11 1 . 1 1 6 6 SER H H 6 8.349 8.349 8.285 0.064 18728 12 1 . 1 1 7 7 PRO HA H 7 4.427 4.427 4.644 -0.217 18728 13 1 . 1 1 7 7 PRO C C 7 177.027 177.027 176.173 0.854 18728 14 1 . 1 1 7 7 PRO CA C 7 63.271 63.271 62.664 0.607 18728 15 1 . 1 1 7 7 PRO CB C 7 32.111 32.111 32.897 -0.786 18728 16 1 . 1 1 8 8 LYS N N 8 121.819 121.819 119.189 2.630 18728 17 1 . 1 1 8 8 LYS HA H 8 4.290 4.290 4.404 -0.114 18728 18 1 . 1 1 8 8 LYS C C 8 177.015 177.015 176.170 0.845 18728 19 1 . 1 1 8 8 LYS CA C 8 56.455 56.455 56.449 0.006 18728 20 1 . 1 1 8 8 LYS CB C 8 33.341 33.341 32.635 0.706 18728 21 1 . 1 1 8 8 LYS H H 8 8.445 8.445 8.509 -0.064 18728 22 1 . 1 1 9 9 GLU N N 9 121.243 121.243 121.575 -0.333 18728 23 1 . 1 1 9 9 GLU HA H 9 4.606 4.606 4.609 -0.003 18728 24 1 . 1 1 9 9 GLU CA C 9 54.480 54.480 54.038 0.442 18728 25 1 . 1 1 9 9 GLU CB C 9 29.572 29.572 29.467 0.105 18728 26 1 . 1 1 9 9 GLU H H 9 8.313 8.313 7.954 0.359 18728 27 1 . 1 1 10 10 PRO HA H 10 4.335 4.335 4.412 -0.077 18728 28 1 . 1 1 10 10 PRO C C 10 177.491 177.491 177.848 -0.357 18728 29 1 . 1 1 10 10 PRO CA C 10 63.587 63.587 62.476 1.111 18728 30 1 . 1 1 10 10 PRO CB C 10 32.374 32.374 32.785 -0.411 18728 31 1 . 1 1 11 11 GLU N N 11 123.071 123.071 121.027 2.045 18728 32 1 . 1 1 11 11 GLU HA H 11 3.686 3.686 3.889 -0.203 18728 33 1 . 1 1 11 11 GLU C C 11 177.984 177.984 178.029 -0.045 18728 34 1 . 1 1 11 11 GLU CA C 11 59.651 59.651 59.793 -0.142 18728 35 1 . 1 1 11 11 GLU CB C 11 29.819 29.819 28.801 1.018 18728 36 1 . 1 1 11 11 GLU H H 11 8.692 8.692 8.853 -0.161 18728 37 1 . 1 1 12 12 GLN N N 12 116.079 116.079 116.040 0.038 18728 38 1 . 1 1 12 12 GLN HA H 12 3.979 3.979 4.170 -0.191 18728 39 1 . 1 1 12 12 GLN C C 12 177.579 177.579 177.286 0.293 18728 40 1 . 1 1 12 12 GLN CA C 12 58.526 58.526 58.165 0.360 18728 41 1 . 1 1 12 12 GLN CB C 12 28.112 28.112 28.210 -0.098 18728 42 1 . 1 1 12 12 GLN H H 12 8.647 8.647 8.393 0.254 18728 43 1 . 1 1 13 13 LEU N N 13 116.530 116.530 118.142 -1.612 18728 44 1 . 1 1 13 13 LEU HA H 13 4.264 4.264 4.389 -0.125 18728 45 1 . 1 1 13 13 LEU C C 13 177.080 177.080 177.404 -0.324 18728 46 1 . 1 1 13 13 LEU CA C 13 55.945 55.945 56.007 -0.062 18728 47 1 . 1 1 13 13 LEU CB C 13 42.317 42.317 42.468 -0.151 18728 48 1 . 1 1 13 13 LEU H H 13 7.471 7.471 7.720 -0.249 18728 49 1 . 1 1 14 14 ARG N N 14 116.981 116.981 114.279 2.702 18728 50 1 . 1 1 14 14 ARG HA H 14 4.417 4.417 4.520 -0.103 18728 51 1 . 1 1 14 14 ARG C C 14 172.996 172.996 175.790 -2.794 18728 52 1 . 1 1 14 14 ARG CA C 14 56.067 56.067 55.755 0.312 18728 53 1 . 1 1 14 14 ARG CB C 14 29.944 29.944 31.180 -1.236 18728 54 1 . 1 1 14 14 ARG H H 14 7.576 7.576 7.577 -0.001 18728 55 1 . 1 1 15 15 LYS N N 15 119.990 119.990 122.160 -2.170 18728 56 1 . 1 1 15 15 LYS HA H 15 5.198 5.198 5.143 0.055 18728 57 1 . 1 1 15 15 LYS CA C 15 55.301 55.301 55.387 -0.086 18728 58 1 . 1 1 15 15 LYS CB C 15 35.888 35.888 35.354 0.534 18728 59 1 . 1 1 15 15 LYS H H 15 6.946 6.946 7.929 -0.983 18728 60 1 . 1 1 16 16 LEU N N 16 126.081 126.081 123.807 2.274 18728 61 1 . 1 1 16 16 LEU HA H 16 5.016 5.016 5.201 -0.185 18728 62 1 . 1 1 16 16 LEU C C 16 176.309 176.309 175.619 0.690 18728 63 1 . 1 1 16 16 LEU CA C 16 53.334 53.334 53.143 0.191 18728 64 1 . 1 1 16 16 LEU CB C 16 45.062 45.062 45.539 -0.477 18728 65 1 . 1 1 16 16 LEU H H 16 9.605 9.605 9.005 0.600 18728 66 1 . 1 1 17 17 PHE N N 17 123.569 123.569 124.911 -1.342 18728 67 1 . 1 1 17 17 PHE HA H 17 4.585 4.585 5.184 -0.599 18728 68 1 . 1 1 17 17 PHE C C 17 174.362 174.362 174.047 0.315 18728 69 1 . 1 1 17 17 PHE CA C 17 57.153 57.153 55.977 1.176 18728 70 1 . 1 1 17 17 PHE CB C 17 40.603 40.603 41.119 -0.516 18728 71 1 . 1 1 17 17 PHE H H 17 9.023 9.023 9.298 -0.275 18728 72 1 . 1 1 18 18 ILE N N 18 126.932 126.932 128.061 -1.129 18728 73 1 . 1 1 18 18 ILE HA H 18 4.029 4.029 4.255 -0.227 18728 74 1 . 1 1 18 18 ILE C C 18 173.832 173.832 174.839 -1.007 18728 75 1 . 1 1 18 18 ILE CA C 18 59.156 59.156 58.037 1.119 18728 76 1 . 1 1 18 18 ILE CB C 18 36.909 36.909 36.791 0.118 18728 77 1 . 1 1 18 18 ILE H H 18 8.486 8.486 8.599 -0.113 18728 78 1 . 1 1 19 19 GLY N N 19 112.953 112.953 112.609 0.344 18728 79 1 . 1 1 19 19 GLY C C 19 174.426 174.426 173.801 0.625 18728 80 1 . 1 1 19 19 GLY CA C 19 43.611 43.611 43.121 0.490 18728 81 1 . 1 1 19 19 GLY H H 19 7.948 7.948 8.675 -0.727 18728 82 1 . 1 1 20 20 GLY N N 20 107.584 107.584 110.643 -3.059 18728 83 1 . 1 1 20 20 GLY C C 20 175.563 175.563 174.390 1.173 18728 84 1 . 1 1 20 20 GLY CA C 20 46.530 46.530 45.113 1.417 18728 85 1 . 1 1 20 20 GLY H H 20 8.542 8.542 8.114 0.428 18728 86 1 . 1 1 21 21 LEU N N 21 115.232 115.232 119.860 -4.628 18728 87 1 . 1 1 21 21 LEU HA H 21 4.025 4.025 4.214 -0.189 18728 88 1 . 1 1 21 21 LEU C C 21 179.121 179.121 176.592 2.529 18728 89 1 . 1 1 21 21 LEU CA C 21 54.192 54.192 54.417 -0.225 18728 90 1 . 1 1 21 21 LEU CB C 21 42.892 42.892 42.696 0.196 18728 91 1 . 1 1 21 21 LEU H H 21 7.472 7.472 7.965 -0.493 18728 92 1 . 1 1 22 22 SER N N 22 114.737 114.737 114.332 0.405 18728 93 1 . 1 1 22 22 SER HA H 22 4.125 4.125 4.483 -0.358 18728 94 1 . 1 1 22 22 SER C C 22 177.842 177.842 175.678 2.164 18728 95 1 . 1 1 22 22 SER CA C 22 57.635 57.635 57.252 0.383 18728 96 1 . 1 1 22 22 SER CB C 22 63.106 63.106 64.899 -1.793 18728 97 1 . 1 1 22 22 SER H H 22 9.136 9.136 8.065 1.071 18728 98 1 . 1 1 23 23 PHE N N 23 128.194 128.194 120.023 8.171 18728 99 1 . 1 1 23 23 PHE HA H 23 4.307 4.307 4.589 -0.282 18728 100 1 . 1 1 23 23 PHE C C 23 175.626 175.626 176.029 -0.403 18728 101 1 . 1 1 23 23 PHE CA C 23 60.205 60.205 59.545 0.660 18728 102 1 . 1 1 23 23 PHE CB C 23 37.570 37.570 39.226 -1.656 18728 103 1 . 1 1 23 23 PHE H H 23 9.034 9.034 8.944 0.091 18728 104 1 . 1 1 24 24 GLU N N 24 116.093 116.093 116.209 -0.116 18728 105 1 . 1 1 24 24 GLU HA H 24 4.255 4.255 4.497 -0.242 18728 106 1 . 1 1 24 24 GLU C C 24 177.429 177.429 175.767 1.662 18728 107 1 . 1 1 24 24 GLU CA C 24 56.522 56.522 55.298 1.224 18728 108 1 . 1 1 24 24 GLU CB C 24 29.980 29.980 30.377 -0.397 18728 109 1 . 1 1 24 24 GLU H H 24 8.295 8.295 7.925 0.370 18728 110 1 . 1 1 25 25 THR N N 25 118.836 118.836 118.416 0.420 18728 111 1 . 1 1 25 25 THR HA H 25 4.091 4.091 4.399 -0.308 18728 112 1 . 1 1 25 25 THR C C 25 174.238 174.238 174.330 -0.092 18728 113 1 . 1 1 25 25 THR CA C 25 64.862 64.862 63.885 0.977 18728 114 1 . 1 1 25 25 THR CB C 25 68.584 68.584 69.282 -0.698 18728 115 1 . 1 1 25 25 THR H H 25 7.280 7.280 7.371 -0.091 18728 116 1 . 1 1 26 26 THR N N 26 119.434 119.434 117.212 2.222 18728 117 1 . 1 1 26 26 THR HA H 26 4.484 4.484 4.589 -0.105 18728 118 1 . 1 1 26 26 THR C C 26 174.563 174.563 175.035 -0.472 18728 119 1 . 1 1 26 26 THR CA C 26 59.361 59.361 59.430 -0.069 18728 120 1 . 1 1 26 26 THR CB C 26 72.727 72.727 71.802 0.925 18728 121 1 . 1 1 26 26 THR H H 26 8.447 8.447 8.135 0.312 18728 122 1 . 1 1 27 27 ASP N N 27 120.342 120.342 121.679 -1.337 18728 123 1 . 1 1 27 27 ASP HA H 27 3.920 3.920 4.303 -0.383 18728 124 1 . 1 1 27 27 ASP C C 27 178.347 178.347 177.799 0.548 18728 125 1 . 1 1 27 27 ASP CA C 27 58.148 58.148 57.377 0.771 18728 126 1 . 1 1 27 27 ASP CB C 27 39.954 39.954 40.592 -0.638 18728 127 1 . 1 1 27 27 ASP H H 27 8.794 8.794 8.835 -0.041 18728 128 1 . 1 1 28 28 GLU N N 28 116.494 116.494 118.645 -2.151 18728 129 1 . 1 1 28 28 GLU HA H 28 3.993 3.993 4.109 -0.116 18728 130 1 . 1 1 28 28 GLU C C 28 178.987 178.987 178.721 0.266 18728 131 1 . 1 1 28 28 GLU CA C 28 60.281 60.281 59.135 1.146 18728 132 1 . 1 1 28 28 GLU CB C 28 29.193 29.193 29.131 0.062 18728 133 1 . 1 1 28 28 GLU H H 28 8.444 8.444 8.793 -0.349 18728 134 1 . 1 1 29 29 SER N N 29 120.532 120.532 116.510 4.022 18728 135 1 . 1 1 29 29 SER HA H 29 4.333 4.333 4.341 -0.008 18728 136 1 . 1 1 29 29 SER C C 29 178.125 178.125 176.627 1.498 18728 137 1 . 1 1 29 29 SER CA C 29 61.720 61.720 61.175 0.545 18728 138 1 . 1 1 29 29 SER H H 29 8.384 8.384 7.587 0.797 18728 139 1 . 1 1 30 30 LEU N N 30 126.754 126.754 124.087 2.667 18728 140 1 . 1 1 30 30 LEU HA H 30 4.080 4.080 4.178 -0.098 18728 141 1 . 1 1 30 30 LEU C C 30 178.341 178.341 177.812 0.529 18728 142 1 . 1 1 30 30 LEU CA C 30 58.073 58.073 57.821 0.253 18728 143 1 . 1 1 30 30 LEU CB C 30 42.524 42.524 41.750 0.774 18728 144 1 . 1 1 30 30 LEU H H 30 8.487 8.487 8.209 0.278 18728 145 1 . 1 1 31 31 ARG N N 31 121.192 121.192 119.137 2.055 18728 146 1 . 1 1 31 31 ARG HA H 31 3.863 3.863 3.869 -0.006 18728 147 1 . 1 1 31 31 ARG C C 31 177.765 177.765 178.303 -0.538 18728 148 1 . 1 1 31 31 ARG CA C 31 59.706 59.706 60.242 -0.536 18728 149 1 . 1 1 31 31 ARG CB C 31 30.648 30.648 30.049 0.600 18728 150 1 . 1 1 31 31 ARG H H 31 7.980 7.980 8.378 -0.398 18728 151 1 . 1 1 32 32 SER N N 32 112.868 112.868 113.346 -0.478 18728 152 1 . 1 1 32 32 SER HA H 32 4.104 4.104 4.232 -0.128 18728 153 1 . 1 1 32 32 SER C C 32 176.416 176.416 176.250 0.166 18728 154 1 . 1 1 32 32 SER CA C 32 61.437 61.437 61.675 -0.238 18728 155 1 . 1 1 32 32 SER CB C 32 62.933 62.933 62.984 -0.052 18728 156 1 . 1 1 32 32 SER H H 32 8.295 8.295 8.071 0.224 18728 157 1 . 1 1 33 33 HIS N N 33 115.910 115.910 120.723 -4.813 18728 158 1 . 1 1 33 33 HIS HA H 33 4.346 4.346 4.373 -0.027 18728 159 1 . 1 1 33 33 HIS C C 33 177.510 177.510 177.884 -0.374 18728 160 1 . 1 1 33 33 HIS CA C 33 60.373 60.373 59.726 0.647 18728 161 1 . 1 1 33 33 HIS CB C 33 30.776 30.776 30.214 0.561 18728 162 1 . 1 1 33 33 HIS H H 33 7.406 7.406 7.748 -0.342 18728 163 1 . 1 1 34 34 PHE N N 34 113.562 113.562 118.996 -5.434 18728 164 1 . 1 1 34 34 PHE HA H 34 4.526 4.526 4.823 -0.297 18728 165 1 . 1 1 34 34 PHE C C 34 179.061 179.061 178.302 0.759 18728 166 1 . 1 1 34 34 PHE CA C 34 64.104 64.104 61.732 2.372 18728 167 1 . 1 1 34 34 PHE CB C 34 38.379 38.379 39.075 -0.696 18728 168 1 . 1 1 34 34 PHE H H 34 8.227 8.227 8.382 -0.155 18728 169 1 . 1 1 35 35 GLU N N 35 124.490 124.490 120.308 4.182 18728 170 1 . 1 1 35 35 GLU HA H 35 4.962 4.962 4.414 0.548 18728 171 1 . 1 1 35 35 GLU C C 35 176.476 176.476 177.697 -1.221 18728 172 1 . 1 1 35 35 GLU CA C 35 57.950 57.950 58.535 -0.585 18728 173 1 . 1 1 35 35 GLU CB C 35 28.690 28.690 29.216 -0.526 18728 174 1 . 1 1 35 35 GLU H H 35 9.219 9.219 8.655 0.564 18728 175 1 . 1 1 36 36 GLN N N 36 116.596 116.596 117.150 -0.554 18728 176 1 . 1 1 36 36 GLN HA H 36 3.706 3.706 3.957 -0.251 18728 177 1 . 1 1 36 36 GLN C C 36 176.486 176.486 177.364 -0.878 18728 178 1 . 1 1 36 36 GLN CA C 36 58.206 58.206 57.668 0.538 18728 179 1 . 1 1 36 36 GLN CB C 36 27.731 27.731 28.254 -0.523 18728 180 1 . 1 1 36 36 GLN H H 36 7.011 7.011 7.527 -0.516 18728 181 1 . 1 1 37 37 TRP N N 37 114.690 114.690 117.260 -2.570 18728 182 1 . 1 1 37 37 TRP HA H 37 4.481 4.481 4.864 -0.383 18728 183 1 . 1 1 37 37 TRP C C 37 173.662 173.662 176.531 -2.869 18728 184 1 . 1 1 37 37 TRP CA C 37 61.557 61.557 58.472 3.085 18728 185 1 . 1 1 37 37 TRP CB C 37 29.074 29.074 31.356 -2.282 18728 186 1 . 1 1 37 37 TRP H H 37 7.017 7.017 7.866 -0.849 18728 187 1 . 1 1 38 38 GLY N N 38 105.060 105.060 104.569 0.491 18728 188 1 . 1 1 38 38 GLY C C 38 171.596 171.596 172.469 -0.873 18728 189 1 . 1 1 38 38 GLY CA C 38 45.545 45.545 45.404 0.141 18728 190 1 . 1 1 38 38 GLY H H 38 7.294 7.294 7.740 -0.446 18728 191 1 . 1 1 39 39 THR N N 39 117.179 117.179 119.059 -1.880 18728 192 1 . 1 1 39 39 THR HA H 39 4.231 4.231 4.280 -0.049 18728 193 1 . 1 1 39 39 THR C C 39 173.760 173.760 174.191 -0.431 18728 194 1 . 1 1 39 39 THR CA C 39 62.904 62.904 64.301 -1.397 18728 195 1 . 1 1 39 39 THR CB C 39 69.813 69.813 69.110 0.703 18728 196 1 . 1 1 39 39 THR H H 39 8.770 8.770 8.640 0.130 18728 197 1 . 1 1 40 40 LEU N N 40 126.702 126.702 128.130 -1.428 18728 198 1 . 1 1 40 40 LEU HA H 40 4.943 4.943 4.570 0.373 18728 199 1 . 1 1 40 40 LEU C C 40 178.358 178.358 177.606 0.752 18728 200 1 . 1 1 40 40 LEU CA C 40 52.969 52.969 54.362 -1.393 18728 201 1 . 1 1 40 40 LEU CB C 40 41.893 41.893 42.629 -0.736 18728 202 1 . 1 1 40 40 LEU H H 40 8.831 8.831 8.762 0.069 18728 203 1 . 1 1 41 41 THR N N 41 117.175 117.175 114.801 2.374 18728 204 1 . 1 1 41 41 THR HA H 41 4.197 4.197 4.390 -0.193 18728 205 1 . 1 1 41 41 THR C C 41 175.050 175.050 174.611 0.439 18728 206 1 . 1 1 41 41 THR CA C 41 62.668 62.668 62.358 0.310 18728 207 1 . 1 1 41 41 THR CB C 41 67.618 67.618 70.061 -2.443 18728 208 1 . 1 1 41 41 THR H H 41 8.926 8.926 8.961 -0.035 18728 209 1 . 1 1 42 42 ASP N N 42 118.764 118.764 120.260 -1.496 18728 210 1 . 1 1 42 42 ASP HA H 42 4.620 4.620 4.841 -0.221 18728 211 1 . 1 1 42 42 ASP C C 42 174.637 174.637 173.626 1.011 18728 212 1 . 1 1 42 42 ASP CA C 42 54.235 54.235 54.118 0.117 18728 213 1 . 1 1 42 42 ASP CB C 42 44.253 44.253 44.155 0.098 18728 214 1 . 1 1 42 42 ASP H H 42 7.513 7.513 7.806 -0.293 18728 215 1 . 1 1 43 43 CYS N N 43 123.632 123.632 122.562 1.070 18728 216 1 . 1 1 43 43 CYS HA H 43 4.842 4.842 5.307 -0.465 18728 217 1 . 1 1 43 43 CYS C C 43 171.885 171.885 172.370 -0.485 18728 218 1 . 1 1 43 43 CYS CA C 43 59.376 59.376 57.985 1.391 18728 219 1 . 1 1 43 43 CYS CB C 43 26.377 26.377 30.384 -4.007 18728 220 1 . 1 1 43 43 CYS H H 43 8.436 8.436 8.575 -0.139 18728 221 1 . 1 1 44 44 VAL N N 44 126.787 126.787 126.814 -0.027 18728 222 1 . 1 1 44 44 VAL HA H 44 4.576 4.576 4.559 0.017 18728 223 1 . 1 1 44 44 VAL C C 44 173.371 173.371 173.502 -0.132 18728 224 1 . 1 1 44 44 VAL CA C 44 60.151 60.151 60.812 -0.661 18728 225 1 . 1 1 44 44 VAL CB C 44 36.424 36.424 35.834 0.590 18728 226 1 . 1 1 44 44 VAL H H 44 8.737 8.737 8.896 -0.159 18728 227 1 . 1 1 45 45 VAL N N 45 125.522 125.522 128.352 -2.830 18728 228 1 . 1 1 45 45 VAL HA H 45 3.711 3.711 4.013 -0.302 18728 229 1 . 1 1 45 45 VAL C C 45 176.674 176.674 174.969 1.705 18728 230 1 . 1 1 45 45 VAL CA C 45 62.509 62.509 61.994 0.515 18728 231 1 . 1 1 45 45 VAL CB C 45 33.175 33.175 32.897 0.278 18728 232 1 . 1 1 45 45 VAL H H 45 8.269 8.269 8.517 -0.248 18728 233 1 . 1 1 46 46 MET N N 46 126.833 126.833 127.971 -1.138 18728 234 1 . 1 1 46 46 MET HA H 46 4.441 4.441 4.344 0.097 18728 235 1 . 1 1 46 46 MET C C 46 175.413 175.413 174.937 0.476 18728 236 1 . 1 1 46 46 MET CA C 46 54.852 54.852 54.623 0.229 18728 237 1 . 1 1 46 46 MET CB C 46 30.454 30.454 30.175 0.279 18728 238 1 . 1 1 46 46 MET H H 46 8.445 8.445 8.239 0.206 18728 239 1 . 1 1 47 47 ARG N N 47 120.697 120.697 122.900 -2.203 18728 240 1 . 1 1 47 47 ARG HA H 47 4.838 4.838 4.780 0.058 18728 241 1 . 1 1 47 47 ARG CA C 47 54.308 54.308 54.539 -0.231 18728 242 1 . 1 1 47 47 ARG CB C 47 34.048 34.048 32.782 1.266 18728 243 1 . 1 1 47 47 ARG H H 47 8.308 8.308 7.945 0.363 18728 244 1 . 1 1 48 48 ASP N N 48 125.146 125.146 122.174 2.972 18728 245 1 . 1 1 48 48 ASP HA H 48 4.686 4.686 4.851 -0.165 18728 246 1 . 1 1 48 48 ASP C C 48 176.046 176.046 176.141 -0.095 18728 247 1 . 1 1 48 48 ASP CA C 48 52.106 52.106 52.076 0.030 18728 248 1 . 1 1 48 48 ASP CB C 48 42.878 42.878 42.043 0.835 18728 249 1 . 1 1 48 48 ASP H H 48 8.577 8.577 8.500 0.077 18728 250 1 . 1 1 49 49 PRO HA H 49 4.310 4.310 4.297 0.013 18728 251 1 . 1 1 49 49 PRO C C 49 177.166 177.166 177.465 -0.299 18728 252 1 . 1 1 49 49 PRO CA C 49 64.584 64.584 64.764 -0.180 18728 253 1 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.008 0.128 18728 254 1 . 1 1 50 50 ASN N N 50 115.474 115.474 116.823 -1.349 18728 255 1 . 1 1 50 50 ASN HA H 50 4.723 4.723 4.675 0.048 18728 256 1 . 1 1 50 50 ASN C C 50 176.642 176.642 176.843 -0.201 18728 257 1 . 1 1 50 50 ASN CA C 50 55.444 55.444 55.606 -0.162 18728 258 1 . 1 1 50 50 ASN CB C 50 39.455 39.455 39.402 0.053 18728 259 1 . 1 1 50 50 ASN H H 50 8.560 8.560 8.422 0.138 18728 260 1 . 1 1 51 51 THR N N 51 108.788 108.788 112.890 -4.102 18728 261 1 . 1 1 51 51 THR HA H 51 4.264 4.264 4.458 -0.194 18728 262 1 . 1 1 51 51 THR C C 51 176.018 176.018 174.166 1.852 18728 263 1 . 1 1 51 51 THR CA C 51 62.063 62.063 62.617 -0.554 18728 264 1 . 1 1 51 51 THR CB C 51 70.768 70.768 69.960 0.808 18728 265 1 . 1 1 51 51 THR H H 51 8.277 8.277 8.501 -0.224 18728 266 1 . 1 1 52 52 LYS N N 52 114.615 114.615 116.714 -2.099 18728 267 1 . 1 1 52 52 LYS HA H 52 3.917 3.917 4.050 -0.133 18728 268 1 . 1 1 52 52 LYS C C 52 175.376 175.376 175.093 0.283 18728 269 1 . 1 1 52 52 LYS CA C 52 57.902 57.902 56.990 0.912 18728 270 1 . 1 1 52 52 LYS CB C 52 29.293 29.293 29.890 -0.597 18728 271 1 . 1 1 52 52 LYS H H 52 8.091 8.091 8.068 0.023 18728 272 1 . 1 1 53 53 ARG N N 53 120.395 120.395 116.924 3.471 18728 273 1 . 1 1 53 53 ARG HA H 53 4.169 4.169 4.486 -0.317 18728 274 1 . 1 1 53 53 ARG C C 53 176.619 176.619 175.959 0.660 18728 275 1 . 1 1 53 53 ARG CA C 53 56.233 56.233 53.175 3.058 18728 276 1 . 1 1 53 53 ARG CB C 53 31.045 31.045 31.804 -0.759 18728 277 1 . 1 1 53 53 ARG H H 53 7.847 7.847 7.527 0.320 18728 278 1 . 1 1 54 54 SER N N 54 116.987 116.987 116.237 0.750 18728 279 1 . 1 1 54 54 SER HA H 54 4.186 4.186 4.335 -0.149 18728 280 1 . 1 1 54 54 SER C C 54 175.755 175.755 175.398 0.357 18728 281 1 . 1 1 54 54 SER CA C 54 58.559 58.559 58.685 -0.126 18728 282 1 . 1 1 54 54 SER CB C 54 63.922 63.922 63.574 0.348 18728 283 1 . 1 1 54 54 SER H H 54 8.810 8.810 8.101 0.709 18728 284 1 . 1 1 55 55 ARG N N 55 123.427 123.427 127.100 -3.673 18728 285 1 . 1 1 55 55 ARG HA H 55 4.403 4.403 4.345 0.058 18728 286 1 . 1 1 55 55 ARG C C 55 177.962 177.962 176.796 1.166 18728 287 1 . 1 1 55 55 ARG CA C 55 56.096 56.096 55.947 0.149 18728 288 1 . 1 1 55 55 ARG CB C 55 31.294 31.294 30.232 1.062 18728 289 1 . 1 1 55 55 ARG H H 55 8.976 8.976 8.645 0.331 18728 290 1 . 1 1 56 56 GLY N N 56 107.308 107.308 106.830 0.478 18728 291 1 . 1 1 56 56 GLY C C 56 171.856 171.856 173.519 -1.663 18728 292 1 . 1 1 56 56 GLY CA C 56 45.669 45.669 45.210 0.459 18728 293 1 . 1 1 56 56 GLY H H 56 9.375 9.375 8.120 1.255 18728 294 1 . 1 1 57 57 PHE N N 57 112.537 112.537 114.987 -2.450 18728 295 1 . 1 1 57 57 PHE HA H 57 5.201 5.201 5.400 -0.199 18728 296 1 . 1 1 57 57 PHE C C 57 172.646 172.646 172.988 -0.342 18728 297 1 . 1 1 57 57 PHE CA C 57 54.918 54.918 55.151 -0.234 18728 298 1 . 1 1 57 57 PHE CB C 57 41.743 41.743 40.920 0.823 18728 299 1 . 1 1 57 57 PHE H H 57 7.044 7.044 7.109 -0.065 18728 300 1 . 1 1 58 58 GLY N N 58 106.816 106.816 106.446 0.370 18728 301 1 . 1 1 58 58 GLY C C 58 169.931 169.931 171.160 -1.229 18728 302 1 . 1 1 58 58 GLY CA C 58 45.304 45.304 44.522 0.782 18728 303 1 . 1 1 58 58 GLY H H 58 8.345 8.345 8.273 0.072 18728 304 1 . 1 1 59 59 PHE N N 59 115.179 115.179 115.543 -0.364 18728 305 1 . 1 1 59 59 PHE HA H 59 5.645 5.645 5.564 0.081 18728 306 1 . 1 1 59 59 PHE C C 59 174.929 174.929 174.273 0.657 18728 307 1 . 1 1 59 59 PHE CA C 59 56.541 56.541 56.313 0.229 18728 308 1 . 1 1 59 59 PHE CB C 59 43.984 43.984 43.822 0.163 18728 309 1 . 1 1 59 59 PHE H H 59 8.903 8.903 8.613 0.290 18728 310 1 . 1 1 60 60 VAL N N 60 115.310 115.310 116.525 -1.215 18728 311 1 . 1 1 60 60 VAL HA H 60 4.540 4.540 4.791 -0.251 18728 312 1 . 1 1 60 60 VAL C C 60 173.246 173.246 175.034 -1.788 18728 313 1 . 1 1 60 60 VAL CA C 60 59.421 59.421 60.274 -0.853 18728 314 1 . 1 1 60 60 VAL CB C 60 34.678 34.678 33.582 1.096 18728 315 1 . 1 1 60 60 VAL H H 60 8.569 8.569 8.924 -0.355 18728 316 1 . 1 1 61 61 THR N N 61 120.158 120.158 123.442 -3.284 18728 317 1 . 1 1 61 61 THR HA H 61 5.068 5.068 4.837 0.231 18728 318 1 . 1 1 61 61 THR C C 61 173.985 173.985 173.967 0.018 18728 319 1 . 1 1 61 61 THR CA C 61 61.033 61.033 61.965 -0.932 18728 320 1 . 1 1 61 61 THR CB C 61 70.114 70.114 69.611 0.503 18728 321 1 . 1 1 61 61 THR H H 61 8.180 8.180 8.925 -0.745 18728 322 1 . 1 1 62 62 TYR N N 62 125.280 125.280 126.876 -1.596 18728 323 1 . 1 1 62 62 TYR HA H 62 5.357 5.357 4.797 0.560 18728 324 1 . 1 1 62 62 TYR C C 62 176.696 176.696 176.571 0.125 18728 325 1 . 1 1 62 62 TYR CA C 62 58.297 58.297 58.819 -0.522 18728 326 1 . 1 1 62 62 TYR CB C 62 42.217 42.217 40.104 2.113 18728 327 1 . 1 1 62 62 TYR H H 62 8.407 8.407 9.087 -0.680 18728 328 1 . 1 1 63 63 ALA N N 63 121.648 121.648 122.982 -1.334 18728 329 1 . 1 1 63 63 ALA HA H 63 4.052 4.052 4.324 -0.272 18728 330 1 . 1 1 63 63 ALA C C 63 178.252 178.252 177.195 1.057 18728 331 1 . 1 1 63 63 ALA CA C 63 55.269 55.269 54.228 1.041 18728 332 1 . 1 1 63 63 ALA CB C 63 19.068 19.068 19.637 -0.569 18728 333 1 . 1 1 63 63 ALA H H 63 8.749 8.749 8.900 -0.151 18728 334 1 . 1 1 64 64 THR N N 64 105.238 105.238 111.535 -6.297 18728 335 1 . 1 1 64 64 THR HA H 64 4.902 4.902 4.709 0.193 18728 336 1 . 1 1 64 64 THR C C 64 174.667 174.667 174.588 0.079 18728 337 1 . 1 1 64 64 THR CA C 64 59.184 59.184 60.787 -1.603 18728 338 1 . 1 1 64 64 THR CB C 64 73.193 73.193 72.256 0.937 18728 339 1 . 1 1 64 64 THR H H 64 7.992 7.992 7.702 0.290 18728 340 1 . 1 1 65 65 VAL N N 65 120.939 120.939 123.880 -2.941 18728 341 1 . 1 1 65 65 VAL HA H 65 3.670 3.670 3.752 -0.082 18728 342 1 . 1 1 65 65 VAL C C 65 177.446 177.446 176.937 0.509 18728 343 1 . 1 1 65 65 VAL CA C 65 65.535 65.535 65.309 0.226 18728 344 1 . 1 1 65 65 VAL CB C 65 31.538 31.538 32.133 -0.595 18728 345 1 . 1 1 65 65 VAL H H 65 8.968 8.968 8.930 0.038 18728 346 1 . 1 1 66 66 GLU N N 66 120.818 120.818 118.880 1.938 18728 347 1 . 1 1 66 66 GLU HA H 66 4.045 4.045 3.928 0.117 18728 348 1 . 1 1 66 66 GLU C C 66 180.056 180.056 178.766 1.290 18728 349 1 . 1 1 66 66 GLU CA C 66 60.430 60.430 60.059 0.371 18728 350 1 . 1 1 66 66 GLU CB C 66 28.909 28.909 28.741 0.168 18728 351 1 . 1 1 66 66 GLU H H 66 8.686 8.686 8.800 -0.114 18728 352 1 . 1 1 67 67 GLU N N 67 120.729 120.729 118.135 2.594 18728 353 1 . 1 1 67 67 GLU HA H 67 3.853 3.853 4.033 -0.180 18728 354 1 . 1 1 67 67 GLU C C 67 177.040 177.040 178.463 -1.423 18728 355 1 . 1 1 67 67 GLU CA C 67 59.391 59.391 58.948 0.443 18728 356 1 . 1 1 67 67 GLU CB C 67 29.590 29.590 29.131 0.459 18728 357 1 . 1 1 67 67 GLU H H 67 7.487 7.487 7.772 -0.285 18728 358 1 . 1 1 68 68 VAL N N 68 118.408 118.408 119.589 -1.181 18728 359 1 . 1 1 68 68 VAL HA H 68 3.165 3.165 3.103 0.062 18728 360 1 . 1 1 68 68 VAL C C 68 178.293 178.293 177.507 0.786 18728 361 1 . 1 1 68 68 VAL CA C 68 66.391 66.391 66.426 -0.035 18728 362 1 . 1 1 68 68 VAL CB C 68 31.092 31.092 31.469 -0.377 18728 363 1 . 1 1 68 68 VAL H H 68 6.882 6.882 7.080 -0.198 18728 364 1 . 1 1 69 69 ASP N N 69 119.356 119.356 120.076 -0.720 18728 365 1 . 1 1 69 69 ASP HA H 69 4.128 4.128 4.224 -0.097 18728 366 1 . 1 1 69 69 ASP C C 69 178.765 178.765 178.198 0.567 18728 367 1 . 1 1 69 69 ASP CA C 69 57.394 57.394 57.736 -0.342 18728 368 1 . 1 1 69 69 ASP CB C 69 39.879 39.879 40.752 -0.873 18728 369 1 . 1 1 69 69 ASP H H 69 8.109 8.109 7.849 0.260 18728 370 1 . 1 1 70 70 ALA N N 70 123.031 123.031 121.162 1.869 18728 371 1 . 1 1 70 70 ALA HA H 70 4.070 4.070 4.045 0.025 18728 372 1 . 1 1 70 70 ALA C C 70 180.518 180.518 179.362 1.156 18728 373 1 . 1 1 70 70 ALA CA C 70 55.209 55.209 55.128 0.081 18728 374 1 . 1 1 70 70 ALA CB C 70 18.104 18.104 18.313 -0.209 18728 375 1 . 1 1 70 70 ALA H H 70 7.736 7.736 7.918 -0.182 18728 376 1 . 1 1 71 71 ALA N N 71 121.446 121.446 119.636 1.810 18728 377 1 . 1 1 71 71 ALA HA H 71 3.034 3.034 3.804 -0.770 18728 378 1 . 1 1 71 71 ALA C C 71 182.248 182.248 179.672 2.576 18728 379 1 . 1 1 71 71 ALA CA C 71 55.251 55.251 54.528 0.723 18728 380 1 . 1 1 71 71 ALA CB C 71 17.976 17.976 18.432 -0.456 18728 381 1 . 1 1 71 71 ALA H H 71 8.101 8.101 7.247 0.854 18728 382 1 . 1 1 72 72 MET N N 72 118.027 118.027 117.557 0.470 18728 383 1 . 1 1 72 72 MET HA H 72 4.430 4.430 4.205 0.225 18728 384 1 . 1 1 72 72 MET C C 72 179.409 179.409 178.460 0.949 18728 385 1 . 1 1 72 72 MET CA C 72 56.379 56.379 58.133 -1.754 18728 386 1 . 1 1 72 72 MET CB C 72 30.498 30.498 32.041 -1.543 18728 387 1 . 1 1 72 72 MET H H 72 8.681 8.681 8.205 0.476 18728 388 1 . 1 1 73 73 ASN N N 73 119.415 119.415 117.534 1.881 18728 389 1 . 1 1 73 73 ASN HA H 73 4.627 4.627 4.585 0.042 18728 390 1 . 1 1 73 73 ASN C C 73 175.014 175.014 176.517 -1.503 18728 391 1 . 1 1 73 73 ASN CA C 73 54.323 54.323 55.198 -0.875 18728 392 1 . 1 1 73 73 ASN CB C 73 38.468 38.468 38.304 0.164 18728 393 1 . 1 1 73 73 ASN H H 73 8.096 8.096 8.382 -0.286 18728 394 1 . 1 1 74 74 ALA N N 74 122.253 122.253 121.454 0.799 18728 395 1 . 1 1 74 74 ALA HA H 74 4.299 4.299 4.208 0.091 18728 396 1 . 1 1 74 74 ALA C C 74 175.305 175.305 177.136 -1.831 18728 397 1 . 1 1 74 74 ALA CA C 74 51.273 51.273 51.696 -0.423 18728 398 1 . 1 1 74 74 ALA CB C 74 18.922 18.922 18.753 0.170 18728 399 1 . 1 1 74 74 ALA H H 74 6.966 6.966 7.309 -0.343 18728 400 1 . 1 1 75 75 ARG N N 75 116.833 116.833 120.208 -3.375 18728 401 1 . 1 1 75 75 ARG HA H 75 3.608 3.608 4.139 -0.531 18728 402 1 . 1 1 75 75 ARG CA C 75 55.086 55.086 55.380 -0.294 18728 403 1 . 1 1 75 75 ARG CB C 75 30.199 30.199 29.947 0.252 18728 404 1 . 1 1 75 75 ARG H H 75 6.749 6.749 7.217 -0.468 18728 405 1 . 1 1 76 76 PRO HA H 76 4.434 4.434 4.541 -0.107 18728 406 1 . 1 1 76 76 PRO C C 76 175.590 175.590 175.703 -0.113 18728 407 1 . 1 1 76 76 PRO CA C 76 61.614 61.614 62.607 -0.993 18728 408 1 . 1 1 76 76 PRO CB C 76 34.982 34.982 33.094 1.888 18728 409 1 . 1 1 77 77 HIS N N 77 122.039 122.039 118.031 4.008 18728 410 1 . 1 1 77 77 HIS HA H 77 4.559 4.559 4.895 -0.336 18728 411 1 . 1 1 77 77 HIS C C 77 173.137 173.137 174.084 -0.947 18728 412 1 . 1 1 77 77 HIS CA C 77 56.231 56.231 55.573 0.657 18728 413 1 . 1 1 77 77 HIS CB C 77 32.909 32.909 33.934 -1.025 18728 414 1 . 1 1 77 77 HIS H H 77 9.384 9.384 8.329 1.055 18728 415 1 . 1 1 78 78 LYS N N 78 125.607 125.607 123.510 2.097 18728 416 1 . 1 1 78 78 LYS HA H 78 4.939 4.939 5.201 -0.262 18728 417 1 . 1 1 78 78 LYS C C 78 174.858 174.858 174.649 0.209 18728 418 1 . 1 1 78 78 LYS CA C 78 54.755 54.755 55.509 -0.754 18728 419 1 . 1 1 78 78 LYS CB C 78 33.475 33.475 34.488 -1.013 18728 420 1 . 1 1 78 78 LYS H H 78 8.485 8.485 8.668 -0.183 18728 421 1 . 1 1 79 79 VAL N N 79 124.596 124.596 125.494 -0.898 18728 422 1 . 1 1 79 79 VAL HA H 79 3.955 3.955 3.919 0.036 18728 423 1 . 1 1 79 79 VAL C C 79 176.295 176.295 175.451 0.844 18728 424 1 . 1 1 79 79 VAL CA C 79 60.737 60.737 60.945 -0.208 18728 425 1 . 1 1 79 79 VAL CB C 79 33.249 33.249 33.415 -0.166 18728 426 1 . 1 1 79 79 VAL H H 79 8.581 8.581 8.187 0.394 18728 427 1 . 1 1 80 80 ASP N N 80 128.668 128.668 126.238 2.430 18728 428 1 . 1 1 80 80 ASP HA H 80 4.228 4.228 4.310 -0.082 18728 429 1 . 1 1 80 80 ASP C C 80 175.744 175.744 176.118 -0.374 18728 430 1 . 1 1 80 80 ASP CA C 80 55.882 55.882 55.052 0.830 18728 431 1 . 1 1 80 80 ASP CB C 80 39.692 39.692 40.197 -0.505 18728 432 1 . 1 1 80 80 ASP H H 80 9.553 9.553 9.192 0.362 18728 433 1 . 1 1 81 81 GLY N N 81 101.527 101.527 103.535 -2.008 18728 434 1 . 1 1 81 81 GLY C C 81 173.560 173.560 173.625 -0.065 18728 435 1 . 1 1 81 81 GLY CA C 81 45.445 45.445 45.472 -0.027 18728 436 1 . 1 1 81 81 GLY H H 81 8.488 8.488 8.549 -0.061 18728 437 1 . 1 1 82 82 ARG N N 82 120.493 120.493 119.728 0.765 18728 438 1 . 1 1 82 82 ARG HA H 82 4.640 4.640 4.648 -0.008 18728 439 1 . 1 1 82 82 ARG C C 82 174.512 174.512 174.629 -0.117 18728 440 1 . 1 1 82 82 ARG CA C 82 53.161 53.161 54.349 -1.188 18728 441 1 . 1 1 82 82 ARG CB C 82 32.507 32.507 33.295 -0.788 18728 442 1 . 1 1 82 82 ARG H H 82 7.555 7.555 7.436 0.120 18728 443 1 . 1 1 83 83 VAL N N 83 124.855 124.855 126.793 -1.938 18728 444 1 . 1 1 83 83 VAL HA H 83 4.501 4.501 4.440 0.061 18728 445 1 . 1 1 83 83 VAL C C 83 176.701 176.701 175.204 1.497 18728 446 1 . 1 1 83 83 VAL CA C 83 63.290 63.290 62.359 0.931 18728 447 1 . 1 1 83 83 VAL CB C 83 30.867 30.867 31.946 -1.079 18728 448 1 . 1 1 83 83 VAL H H 83 8.633 8.633 8.607 0.026 18728 449 1 . 1 1 84 84 VAL N N 84 122.944 122.944 124.508 -1.564 18728 450 1 . 1 1 84 84 VAL HA H 84 4.667 4.667 4.930 -0.263 18728 451 1 . 1 1 84 84 VAL C C 84 174.969 174.969 174.408 0.561 18728 452 1 . 1 1 84 84 VAL CA C 84 59.499 59.499 59.215 0.284 18728 453 1 . 1 1 84 84 VAL CB C 84 32.761 32.761 34.772 -2.011 18728 454 1 . 1 1 84 84 VAL H H 84 8.391 8.391 8.568 -0.177 18728 455 1 . 1 1 85 85 GLU N N 85 120.907 120.907 123.285 -2.378 18728 456 1 . 1 1 85 85 GLU HA H 85 5.087 5.087 4.962 0.125 18728 457 1 . 1 1 85 85 GLU CA C 85 52.949 52.949 52.390 0.559 18728 458 1 . 1 1 85 85 GLU CB C 85 31.367 31.367 31.611 -0.244 18728 459 1 . 1 1 85 85 GLU H H 85 8.681 8.681 9.041 -0.360 18728 460 1 . 1 1 86 86 PRO HA H 86 5.383 5.383 4.904 0.479 18728 461 1 . 1 1 86 86 PRO C C 86 175.908 175.908 176.090 -0.182 18728 462 1 . 1 1 86 86 PRO CA C 86 61.444 61.444 62.593 -1.149 18728 463 1 . 1 1 86 86 PRO CB C 86 32.657 32.657 32.488 0.169 18728 464 1 . 1 1 87 87 LYS N N 87 121.252 121.252 121.020 0.232 18728 465 1 . 1 1 87 87 LYS HA H 87 4.688 4.688 5.043 -0.355 18728 466 1 . 1 1 87 87 LYS C C 87 175.676 175.676 176.065 -0.389 18728 467 1 . 1 1 87 87 LYS CA C 87 55.101 55.101 53.903 1.198 18728 468 1 . 1 1 87 87 LYS CB C 87 36.608 36.608 36.661 -0.053 18728 469 1 . 1 1 87 87 LYS H H 87 9.397 9.397 8.804 0.593 18728 470 1 . 1 1 88 88 ARG N N 88 123.272 123.272 121.277 1.995 18728 471 1 . 1 1 88 88 ARG HA H 88 4.375 4.375 4.466 -0.091 18728 472 1 . 1 1 88 88 ARG C C 88 177.011 177.011 176.462 0.549 18728 473 1 . 1 1 88 88 ARG CA C 88 57.209 57.209 55.735 1.474 18728 474 1 . 1 1 88 88 ARG CB C 88 30.452 30.452 30.842 -0.390 18728 475 1 . 1 1 88 88 ARG H H 88 8.940 8.940 8.911 0.029 18728 476 1 . 1 1 89 89 ALA N N 89 126.260 126.260 130.276 -4.016 18728 477 1 . 1 1 89 89 ALA HA H 89 4.259 4.259 4.555 -0.296 18728 478 1 . 1 1 89 89 ALA C C 89 177.452 177.452 176.655 0.797 18728 479 1 . 1 1 89 89 ALA CA C 89 53.712 53.712 51.995 1.717 18728 480 1 . 1 1 89 89 ALA CB C 89 18.824 18.824 18.614 0.210 18728 481 1 . 1 1 89 89 ALA H H 89 8.424 8.424 8.202 0.222 18728 482 1 . 1 1 90 90 VAL N N 90 115.835 115.835 123.742 -7.907 18728 483 1 . 1 1 90 90 VAL HA H 90 4.182 4.182 3.973 0.209 18728 484 1 . 1 1 90 90 VAL C C 90 175.397 175.397 176.436 -1.039 18728 485 1 . 1 1 90 90 VAL CA C 90 61.516 61.516 62.723 -1.207 18728 486 1 . 1 1 90 90 VAL CB C 90 33.448 33.448 32.512 0.936 18728 487 1 . 1 1 90 90 VAL H H 90 7.892 7.892 7.768 0.124 18728 488 1 . 1 1 91 91 SER N N 91 119.224 119.224 120.298 -1.074 18728 489 1 . 1 1 91 91 SER HA H 91 4.420 4.420 4.342 0.078 18728 490 1 . 1 1 91 91 SER CA C 91 57.888 57.888 58.848 -0.960 18728 491 1 . 1 1 91 91 SER CB C 91 63.788 63.788 64.060 -0.272 18728 492 1 . 1 1 91 91 SER H H 91 8.327 8.327 8.697 -0.370 18728 493 1 . 1 1 92 92 ARG HA H 92 4.231 4.231 4.048 0.183 18728 494 1 . 1 1 92 92 ARG C C 92 176.651 176.651 177.887 -1.236 18728 495 1 . 1 1 92 92 ARG CA C 92 56.671 56.671 58.737 -2.067 18728 496 1 . 1 1 92 92 ARG CB C 92 30.776 30.776 29.952 0.824 18728 497 1 . 1 1 92 92 ARG H H 92 8.425 8.425 8.829 -0.404 18728 498 1 . 1 1 93 93 GLU N N 93 121.483 121.483 117.654 3.829 18728 499 1 . 1 1 93 93 GLU HA H 93 4.181 4.181 4.107 0.074 18728 500 1 . 1 1 93 93 GLU C C 93 176.605 176.605 178.129 -1.524 18728 501 1 . 1 1 93 93 GLU CA C 93 57.185 57.185 58.904 -1.719 18728 502 1 . 1 1 93 93 GLU CB C 93 30.015 30.015 29.248 0.767 18728 503 1 . 1 1 93 93 GLU H H 93 8.503 8.503 8.333 0.170 18728 504 1 . 1 1 94 94 ASP N N 94 121.305 121.305 118.647 2.658 18728 505 1 . 1 1 94 94 ASP HA H 94 4.540 4.540 4.527 0.013 18728 506 1 . 1 1 94 94 ASP C C 94 176.744 176.744 178.235 -1.491 18728 507 1 . 1 1 94 94 ASP CA C 94 54.678 54.678 56.199 -1.521 18728 508 1 . 1 1 94 94 ASP CB C 94 41.183 41.183 40.936 0.247 18728 509 1 . 1 1 94 94 ASP H H 94 8.229 8.229 7.942 0.287 18728 510 1 . 1 1 95 95 SER N N 95 115.787 115.787 114.390 1.397 18728 511 1 . 1 1 95 95 SER HA H 95 4.286 4.286 4.086 0.200 18728 512 1 . 1 1 95 95 SER C C 95 174.602 174.602 175.225 -0.623 18728 513 1 . 1 1 95 95 SER CA C 95 58.957 58.957 59.920 -0.963 18728 514 1 . 1 1 95 95 SER CB C 95 64.524 64.524 63.019 1.505 18728 515 1 . 1 1 95 95 SER H H 95 8.109 8.109 7.978 0.131 18728 516 1 . 1 1 96 96 GLN N N 96 120.796 120.796 119.460 1.337 18728 517 1 . 1 1 96 96 GLN HA H 96 4.297 4.297 4.195 0.101 18728 518 1 . 1 1 96 96 GLN C C 96 175.742 175.742 176.057 -0.316 18728 519 1 . 1 1 96 96 GLN CA C 96 55.721 55.721 56.655 -0.934 18728 520 1 . 1 1 96 96 GLN CB C 96 29.313 29.313 29.199 0.114 18728 521 1 . 1 1 96 96 GLN H H 96 8.161 8.161 7.382 0.779 18728 522 1 . 1 1 97 97 ARG N N 97 122.462 122.462 120.247 2.215 18728 523 1 . 1 1 97 97 ARG HA H 97 4.552 4.552 4.609 -0.057 18728 524 1 . 1 1 97 97 ARG CA C 97 54.096 54.096 52.681 1.415 18728 525 1 . 1 1 97 97 ARG CB C 97 30.115 30.115 29.109 1.006 18728 526 1 . 1 1 97 97 ARG H H 97 8.029 8.029 7.660 0.369 18728 527 1 . 1 1 98 98 PRO HA H 98 4.362 4.362 4.341 0.021 18728 528 1 . 1 1 98 98 PRO C C 98 177.715 177.715 177.407 0.308 18728 529 1 . 1 1 98 98 PRO CA C 98 63.592 63.592 63.459 0.133 18728 530 1 . 1 1 98 98 PRO CB C 98 31.955 31.955 31.552 0.403 18728 531 1 . 1 1 99 99 GLY N N 99 109.572 109.572 112.321 -2.749 18728 532 1 . 1 1 99 99 GLY C C 99 174.356 174.356 174.697 -0.341 18728 533 1 . 1 1 99 99 GLY CA C 99 45.395 45.395 44.978 0.417 18728 534 1 . 1 1 99 99 GLY H H 99 8.516 8.516 8.559 -0.043 18728 535 1 . 1 1 100 100 ALA N N 100 123.418 123.418 122.488 0.930 18728 536 1 . 1 1 100 100 ALA HA H 100 4.141 4.141 3.969 0.172 18728 537 1 . 1 1 100 100 ALA CA C 100 53.160 53.160 53.788 -0.628 18728 538 1 . 1 1 100 100 ALA CB C 100 19.185 19.185 19.287 -0.102 18728 539 1 . 1 1 100 100 ALA H H 100 8.015 8.015 7.464 0.551 18728 540 1 . 1 1 101 101 HIS HA H 101 4.502 4.502 4.474 0.028 18728 541 1 . 1 1 101 101 HIS C C 101 175.102 175.102 174.510 0.592 18728 542 1 . 1 1 101 101 HIS CA C 101 56.309 56.309 54.760 1.549 18728 543 1 . 1 1 101 101 HIS CB C 101 30.450 30.450 28.884 1.566 18728 544 1 . 1 1 102 102 LEU N N 102 122.495 122.495 119.599 2.896 18728 545 1 . 1 1 102 102 LEU HA H 102 4.263 4.263 4.420 -0.157 18728 546 1 . 1 1 102 102 LEU C C 102 177.020 177.020 177.064 -0.044 18728 547 1 . 1 1 102 102 LEU CA C 102 54.934 54.934 54.195 0.739 18728 548 1 . 1 1 102 102 LEU CB C 102 42.414 42.414 43.178 -0.764 18728 549 1 . 1 1 102 102 LEU H H 102 7.774 7.774 7.268 0.506 18728 550 1 . 1 1 103 103 THR N N 103 115.720 115.720 117.844 -2.124 18728 551 1 . 1 1 103 103 THR HA H 103 4.220 4.220 4.088 0.132 18728 552 1 . 1 1 103 103 THR C C 103 174.185 174.185 173.811 0.374 18728 553 1 . 1 1 103 103 THR CA C 103 60.917 60.917 62.640 -1.723 18728 554 1 . 1 1 103 103 THR CB C 103 69.340 69.340 67.874 1.466 18728 555 1 . 1 1 103 103 THR H H 103 8.001 8.001 8.373 -0.372 18728 556 1 . 1 1 104 104 VAL N N 104 122.004 122.004 125.752 -3.748 18728 557 1 . 1 1 104 104 VAL HA H 104 4.330 4.330 4.363 -0.033 18728 558 1 . 1 1 104 104 VAL C C 104 175.294 175.294 175.208 0.086 18728 559 1 . 1 1 104 104 VAL CA C 104 61.877 61.877 61.115 0.762 18728 560 1 . 1 1 104 104 VAL CB C 104 34.220 34.220 33.122 1.098 18728 561 1 . 1 1 104 104 VAL H H 104 8.191 8.191 7.913 0.278 18728 562 1 . 1 1 105 105 LYS N N 105 121.406 121.406 126.089 -4.683 18728 563 1 . 1 1 105 105 LYS HA H 105 4.498 4.498 4.539 -0.041 18728 564 1 . 1 1 105 105 LYS C C 105 173.482 173.482 175.530 -2.048 18728 565 1 . 1 1 105 105 LYS CA C 105 56.433 56.433 55.798 0.635 18728 566 1 . 1 1 105 105 LYS CB C 105 33.245 33.245 32.842 0.403 18728 567 1 . 1 1 105 105 LYS H H 105 8.672 8.672 8.751 -0.079 18728 568 1 . 1 1 106 106 LYS N N 106 121.756 121.756 119.428 2.328 18728 569 1 . 1 1 106 106 LYS HA H 106 5.623 5.623 5.432 0.191 18728 570 1 . 1 1 106 106 LYS C C 106 175.153 175.153 175.422 -0.269 18728 571 1 . 1 1 106 106 LYS CA C 106 54.537 54.537 54.828 -0.291 18728 572 1 . 1 1 106 106 LYS CB C 106 37.407 37.407 36.199 1.208 18728 573 1 . 1 1 106 106 LYS H H 106 7.134 7.134 7.718 -0.585 18728 574 1 . 1 1 107 107 ILE N N 107 115.982 115.982 118.457 -2.475 18728 575 1 . 1 1 107 107 ILE HA H 107 5.110 5.110 5.199 -0.089 18728 576 1 . 1 1 107 107 ILE C C 107 174.525 174.525 174.005 0.520 18728 577 1 . 1 1 107 107 ILE CA C 107 59.009 59.009 59.140 -0.131 18728 578 1 . 1 1 107 107 ILE CB C 107 40.552 40.552 41.485 -0.933 18728 579 1 . 1 1 107 107 ILE H H 107 8.948 8.948 8.527 0.421 18728 580 1 . 1 1 108 108 PHE N N 108 124.182 124.182 124.502 -0.320 18728 581 1 . 1 1 108 108 PHE HA H 108 4.696 4.696 4.670 0.026 18728 582 1 . 1 1 108 108 PHE C C 108 173.422 173.422 173.367 0.055 18728 583 1 . 1 1 108 108 PHE CA C 108 56.567 56.567 55.977 0.590 18728 584 1 . 1 1 108 108 PHE CB C 108 41.596 41.596 41.742 -0.146 18728 585 1 . 1 1 108 108 PHE H H 108 9.103 9.103 8.980 0.123 18728 586 1 . 1 1 109 109 VAL N N 109 126.956 126.956 126.732 0.224 18728 587 1 . 1 1 109 109 VAL HA H 109 4.497 4.497 4.789 -0.292 18728 588 1 . 1 1 109 109 VAL C C 109 174.097 174.097 174.161 -0.064 18728 589 1 . 1 1 109 109 VAL CA C 109 60.493 60.493 60.161 0.332 18728 590 1 . 1 1 109 109 VAL CB C 109 33.266 33.266 33.001 0.265 18728 591 1 . 1 1 109 109 VAL H H 109 8.338 8.338 8.214 0.124 18728 592 1 . 1 1 110 110 GLY N N 110 113.617 113.617 113.055 0.562 18728 593 1 . 1 1 110 110 GLY C C 110 174.325 174.325 173.324 1.001 18728 594 1 . 1 1 110 110 GLY CA C 110 44.011 44.011 43.398 0.613 18728 595 1 . 1 1 110 110 GLY H H 110 9.173 9.173 8.598 0.575 18728 596 1 . 1 1 111 111 GLY N N 111 106.411 106.411 109.180 -2.769 18728 597 1 . 1 1 111 111 GLY CA C 111 46.359 46.359 45.085 1.274 18728 598 1 . 1 1 111 111 GLY H H 111 8.221 8.221 8.385 -0.164 18728 599 1 . 1 1 116 116 THR HA H 116 4.322 4.322 4.671 -0.349 18728 600 1 . 1 1 116 116 THR C C 116 173.380 173.380 173.863 -0.483 18728 601 1 . 1 1 116 116 THR CA C 116 63.000 63.000 61.939 1.061 18728 602 1 . 1 1 117 117 GLU N N 117 130.298 130.298 125.033 5.265 18728 603 1 . 1 1 117 117 GLU HA H 117 4.632 4.632 4.591 0.041 18728 604 1 . 1 1 117 117 GLU C C 117 177.632 177.632 176.621 1.010 18728 605 1 . 1 1 117 117 GLU CA C 117 53.853 53.853 54.332 -0.479 18728 606 1 . 1 1 117 117 GLU CB C 117 32.977 32.977 31.641 1.336 18728 607 1 . 1 1 117 117 GLU H H 117 11.190 11.190 8.566 2.624 18728 608 1 . 1 1 118 118 GLU N N 118 122.126 122.126 121.929 0.197 18728 609 1 . 1 1 118 118 GLU HA H 118 3.627 3.627 3.953 -0.326 18728 610 1 . 1 1 118 118 GLU C C 118 179.294 179.294 178.007 1.287 18728 611 1 . 1 1 118 118 GLU CA C 118 61.689 61.689 60.478 1.211 18728 612 1 . 1 1 118 118 GLU CB C 118 29.075 29.075 29.544 -0.468 18728 613 1 . 1 1 118 118 GLU H H 118 9.339 9.339 8.878 0.461 18728 614 1 . 1 1 119 119 HIS N N 119 113.514 113.514 116.203 -2.689 18728 615 1 . 1 1 119 119 HIS HA H 119 4.265 4.265 4.315 -0.050 18728 616 1 . 1 1 119 119 HIS C C 119 176.566 176.566 177.916 -1.350 18728 617 1 . 1 1 119 119 HIS CA C 119 58.917 58.917 59.439 -0.522 18728 618 1 . 1 1 119 119 HIS CB C 119 28.187 28.187 29.351 -1.164 18728 619 1 . 1 1 119 119 HIS H H 119 8.240 8.240 8.615 -0.375 18728 620 1 . 1 1 120 120 HIS N N 120 118.629 118.629 118.215 0.414 18728 621 1 . 1 1 120 120 HIS HA H 120 4.332 4.332 4.271 0.061 18728 622 1 . 1 1 120 120 HIS C C 120 179.713 179.713 177.437 2.276 18728 623 1 . 1 1 120 120 HIS CA C 120 60.310 60.310 58.997 1.313 18728 624 1 . 1 1 120 120 HIS CB C 120 32.233 32.233 30.071 2.162 18728 625 1 . 1 1 120 120 HIS H H 120 6.474 6.474 7.591 -1.117 18728 626 1 . 1 1 121 121 LEU N N 121 117.249 117.249 116.006 1.243 18728 627 1 . 1 1 121 121 LEU HA H 121 4.179 4.179 4.398 -0.219 18728 628 1 . 1 1 121 121 LEU C C 121 178.020 178.020 178.462 -0.442 18728 629 1 . 1 1 121 121 LEU CA C 121 57.924 57.924 57.637 0.287 18728 630 1 . 1 1 121 121 LEU CB C 121 42.577 42.577 41.409 1.168 18728 631 1 . 1 1 121 121 LEU H H 121 7.132 7.132 7.672 -0.540 18728 632 1 . 1 1 122 122 ARG N N 122 121.766 121.766 121.332 0.434 18728 633 1 . 1 1 122 122 ARG HA H 122 3.741 3.741 4.036 -0.295 18728 634 1 . 1 1 122 122 ARG C C 122 177.023 177.023 178.005 -0.982 18728 635 1 . 1 1 122 122 ARG CA C 122 60.508 60.508 59.913 0.595 18728 636 1 . 1 1 122 122 ARG CB C 122 30.256 30.256 29.761 0.495 18728 637 1 . 1 1 122 122 ARG H H 122 8.759 8.759 8.900 -0.141 18728 638 1 . 1 1 123 123 ASP N N 123 116.299 116.299 117.745 -1.446 18728 639 1 . 1 1 123 123 ASP HA H 123 4.294 4.294 4.434 -0.140 18728 640 1 . 1 1 123 123 ASP C C 123 178.057 178.057 178.085 -0.028 18728 641 1 . 1 1 123 123 ASP CA C 123 57.076 57.076 57.171 -0.095 18728 642 1 . 1 1 123 123 ASP CB C 123 40.572 40.572 40.765 -0.193 18728 643 1 . 1 1 123 123 ASP H H 123 8.423 8.423 7.933 0.490 18728 644 1 . 1 1 124 124 TYR N N 124 115.172 115.172 119.897 -4.725 18728 645 1 . 1 1 124 124 TYR HA H 124 4.338 4.338 4.226 0.112 18728 646 1 . 1 1 124 124 TYR C C 124 177.688 177.688 177.791 -0.103 18728 647 1 . 1 1 124 124 TYR CA C 124 61.660 61.660 61.222 0.438 18728 648 1 . 1 1 124 124 TYR CB C 124 39.847 39.847 38.885 0.962 18728 649 1 . 1 1 124 124 TYR H H 124 7.212 7.212 7.445 -0.233 18728 650 1 . 1 1 125 125 PHE N N 125 113.932 113.932 117.835 -3.903 18728 651 1 . 1 1 125 125 PHE HA H 125 4.515 4.515 4.318 0.197 18728 652 1 . 1 1 125 125 PHE C C 125 178.209 178.209 178.312 -0.103 18728 653 1 . 1 1 125 125 PHE CA C 125 63.404 63.404 61.286 2.118 18728 654 1 . 1 1 125 125 PHE CB C 125 38.614 38.614 38.507 0.107 18728 655 1 . 1 1 125 125 PHE H H 125 8.802 8.802 8.921 -0.119 18728 656 1 . 1 1 126 126 GLU N N 126 120.515 120.515 119.090 1.425 18728 657 1 . 1 1 126 126 GLU HA H 126 4.884 4.884 4.474 0.410 18728 658 1 . 1 1 126 126 GLU C C 126 177.936 177.936 177.508 0.428 18728 659 1 . 1 1 126 126 GLU CA C 126 58.560 58.560 58.309 0.251 18728 660 1 . 1 1 126 126 GLU CB C 126 28.516 28.516 29.217 -0.701 18728 661 1 . 1 1 126 126 GLU H H 126 8.869 8.869 8.213 0.656 18728 662 1 . 1 1 127 127 GLN N N 127 115.855 115.855 116.192 -0.337 18728 663 1 . 1 1 127 127 GLN HA H 127 4.055 4.055 4.002 0.053 18728 664 1 . 1 1 127 127 GLN C C 127 176.656 176.656 177.730 -1.075 18728 665 1 . 1 1 127 127 GLN CA C 127 57.566 57.566 57.772 -0.205 18728 666 1 . 1 1 127 127 GLN CB C 127 29.047 29.047 28.744 0.304 18728 667 1 . 1 1 127 127 GLN H H 127 7.105 7.105 7.636 -0.531 18728 668 1 . 1 1 128 128 TYR N N 128 116.626 116.626 116.684 -0.058 18728 669 1 . 1 1 128 128 TYR HA H 128 4.328 4.328 4.399 -0.071 18728 670 1 . 1 1 128 128 TYR C C 128 175.596 175.596 175.520 0.076 18728 671 1 . 1 1 128 128 TYR CA C 128 59.492 59.492 59.612 -0.120 18728 672 1 . 1 1 128 128 TYR CB C 128 39.539 39.539 39.875 -0.336 18728 673 1 . 1 1 128 128 TYR H H 128 7.950 7.950 7.877 0.073 18728 674 1 . 1 1 129 129 GLY N N 129 107.386 107.386 102.780 4.606 18728 675 1 . 1 1 129 129 GLY C C 129 170.407 170.407 172.046 -1.639 18728 676 1 . 1 1 129 129 GLY CA C 129 44.819 44.819 45.163 -0.344 18728 677 1 . 1 1 129 129 GLY H H 129 7.492 7.492 7.576 -0.084 18728 678 1 . 1 1 130 130 LYS N N 130 117.786 117.786 121.235 -3.449 18728 679 1 . 1 1 130 130 LYS HA H 130 4.315 4.315 4.512 -0.197 18728 680 1 . 1 1 130 130 LYS C C 130 177.097 177.097 175.587 1.510 18728 681 1 . 1 1 130 130 LYS CA C 130 56.938 56.938 56.344 0.594 18728 682 1 . 1 1 130 130 LYS CB C 130 33.199 33.199 33.389 -0.190 18728 683 1 . 1 1 130 130 LYS H H 130 8.135 8.135 8.601 -0.466 18728 684 1 . 1 1 131 131 ILE N N 131 127.829 127.829 126.713 1.116 18728 685 1 . 1 1 131 131 ILE HA H 131 3.681 3.681 3.917 -0.236 18728 686 1 . 1 1 131 131 ILE C C 131 175.841 175.841 175.966 -0.125 18728 687 1 . 1 1 131 131 ILE CA C 131 61.625 61.625 60.563 1.062 18728 688 1 . 1 1 131 131 ILE CB C 131 40.441 40.441 39.479 0.962 18728 689 1 . 1 1 131 131 ILE H H 131 8.917 8.917 8.715 0.202 18728 690 1 . 1 1 132 132 GLU N N 132 128.437 128.437 127.371 1.066 18728 691 1 . 1 1 132 132 GLU HA H 132 4.320 4.320 4.324 -0.004 18728 692 1 . 1 1 132 132 GLU C C 132 176.192 176.192 175.917 0.275 18728 693 1 . 1 1 132 132 GLU CA C 132 57.816 57.816 58.084 -0.268 18728 694 1 . 1 1 132 132 GLU CB C 132 31.670 31.670 31.105 0.565 18728 695 1 . 1 1 132 132 GLU H H 132 9.136 9.136 8.693 0.443 18728 696 1 . 1 1 133 133 VAL N N 133 115.096 115.096 116.953 -1.857 18728 697 1 . 1 1 133 133 VAL HA H 133 4.316 4.316 4.254 0.061 18728 698 1 . 1 1 133 133 VAL C C 133 172.860 172.860 173.632 -0.772 18728 699 1 . 1 1 133 133 VAL CA C 133 61.258 61.258 60.983 0.275 18728 700 1 . 1 1 133 133 VAL CB C 133 35.526 35.526 35.345 0.181 18728 701 1 . 1 1 133 133 VAL H H 133 7.272 7.272 7.442 -0.170 18728 702 1 . 1 1 134 134 ILE N N 134 126.870 126.870 124.858 2.012 18728 703 1 . 1 1 134 134 ILE HA H 134 4.464 4.464 4.360 0.104 18728 704 1 . 1 1 134 134 ILE C C 134 174.004 174.004 174.912 -0.908 18728 705 1 . 1 1 134 134 ILE CA C 134 60.904 60.904 60.378 0.526 18728 706 1 . 1 1 134 134 ILE CB C 134 40.408 40.408 39.770 0.638 18728 707 1 . 1 1 134 134 ILE H H 134 8.566 8.566 8.549 0.017 18728 708 1 . 1 1 135 135 GLU N N 135 128.037 128.037 128.634 -0.597 18728 709 1 . 1 1 135 135 GLU HA H 135 4.642 4.642 4.648 -0.006 18728 710 1 . 1 1 135 135 GLU C C 135 174.883 174.883 175.070 -0.187 18728 711 1 . 1 1 135 135 GLU CA C 135 54.640 54.640 55.347 -0.707 18728 712 1 . 1 1 135 135 GLU CB C 135 33.259 33.259 30.692 2.567 18728 713 1 . 1 1 135 135 GLU H H 135 9.019 9.019 8.723 0.296 18728 714 1 . 1 1 136 136 ILE N N 136 126.668 126.668 125.586 1.082 18728 715 1 . 1 1 136 136 ILE HA H 136 3.898 3.898 4.307 -0.409 18728 716 1 . 1 1 136 136 ILE C C 136 176.157 176.157 175.230 0.927 18728 717 1 . 1 1 136 136 ILE CA C 136 61.336 61.336 59.768 1.568 18728 718 1 . 1 1 136 136 ILE CB C 136 37.397 37.397 37.728 -0.331 18728 719 1 . 1 1 136 136 ILE H H 136 8.967 8.967 8.577 0.390 18728 720 1 . 1 1 137 137 MET N N 137 126.115 126.115 128.126 -2.011 18728 721 1 . 1 1 137 137 MET HA H 137 4.679 4.679 4.750 -0.071 18728 722 1 . 1 1 137 137 MET C C 137 176.723 176.723 175.338 1.385 18728 723 1 . 1 1 137 137 MET CA C 137 55.163 55.163 53.290 1.873 18728 724 1 . 1 1 137 137 MET CB C 137 30.841 30.841 31.960 -1.119 18728 725 1 . 1 1 137 137 MET H H 137 7.656 7.656 8.401 -0.745 18728 726 1 . 1 1 138 138 THR N N 138 116.735 116.735 115.943 0.792 18728 727 1 . 1 1 138 138 THR HA H 138 4.746 4.746 4.661 0.085 18728 728 1 . 1 1 138 138 THR C C 138 173.642 173.642 173.766 -0.124 18728 729 1 . 1 1 138 138 THR CA C 138 60.385 60.385 60.521 -0.136 18728 730 1 . 1 1 138 138 THR CB C 138 72.028 72.028 70.969 1.059 18728 731 1 . 1 1 138 138 THR H H 138 8.551 8.551 8.336 0.215 18728 732 1 . 1 1 139 139 ASP N N 139 123.899 123.899 122.415 1.484 18728 733 1 . 1 1 139 139 ASP HA H 139 4.677 4.677 4.657 0.020 18728 734 1 . 1 1 139 139 ASP CA C 139 53.728 53.728 53.724 0.004 18728 735 1 . 1 1 139 139 ASP CB C 139 42.270 42.270 42.748 -0.478 18728 736 1 . 1 1 139 139 ASP H H 139 8.818 8.818 8.615 0.203 18728 737 1 . 1 1 140 140 ARG HA H 140 4.037 4.037 4.206 -0.169 18728 738 1 . 1 1 140 140 ARG C C 140 177.886 177.886 177.264 0.622 18728 739 1 . 1 1 140 140 ARG CB C 140 29.886 29.886 30.130 -0.244 18728 740 1 . 1 1 141 141 GLY N N 141 107.951 107.951 107.198 0.753 18728 741 1 . 1 1 141 141 GLY C C 141 174.861 174.861 175.682 -0.821 18728 742 1 . 1 1 141 141 GLY CA C 141 46.490 46.490 45.778 0.712 18728 743 1 . 1 1 141 141 GLY H H 141 8.635 8.635 8.212 0.423 18728 744 1 . 1 1 142 142 SER N N 142 114.044 114.044 116.141 -2.097 18728 745 1 . 1 1 142 142 SER HA H 142 4.533 4.533 4.513 0.020 18728 746 1 . 1 1 142 142 SER C C 142 176.080 176.080 175.181 0.899 18728 747 1 . 1 1 142 142 SER CA C 142 58.429 58.429 58.611 -0.182 18728 748 1 . 1 1 142 142 SER CB C 142 65.439 65.439 64.378 1.061 18728 749 1 . 1 1 142 142 SER H H 142 8.034 8.034 8.779 -0.745 18728 750 1 . 1 1 143 143 GLY N N 143 112.348 112.348 108.855 3.493 18728 751 1 . 1 1 143 143 GLY C C 143 173.949 173.949 173.819 0.130 18728 752 1 . 1 1 143 143 GLY CA C 143 45.703 45.703 45.534 0.168 18728 753 1 . 1 1 143 143 GLY H H 143 8.363 8.363 7.870 0.493 18728 754 1 . 1 1 144 144 LYS N N 144 119.966 119.966 119.606 0.360 18728 755 1 . 1 1 144 144 LYS HA H 144 4.273 4.273 4.476 -0.203 18728 756 1 . 1 1 144 144 LYS C C 144 176.969 176.969 176.166 0.803 18728 757 1 . 1 1 144 144 LYS CA C 144 56.145 56.145 54.100 2.045 18728 758 1 . 1 1 144 144 LYS CB C 144 33.378 33.378 33.495 -0.117 18728 759 1 . 1 1 144 144 LYS H H 144 7.786 7.786 7.691 0.095 18728 760 1 . 1 1 145 145 LYS N N 145 123.668 123.668 122.459 1.209 18728 761 1 . 1 1 145 145 LYS HA H 145 4.187 4.187 4.295 -0.108 18728 762 1 . 1 1 145 145 LYS C C 145 177.498 177.498 176.272 1.226 18728 763 1 . 1 1 145 145 LYS CA C 145 57.392 57.392 56.456 0.936 18728 764 1 . 1 1 145 145 LYS CB C 145 32.577 32.577 31.797 0.780 18728 765 1 . 1 1 145 145 LYS H H 145 8.968 8.968 8.676 0.292 18728 766 1 . 1 1 146 146 ARG N N 146 119.700 119.700 122.287 -2.587 18728 767 1 . 1 1 146 146 ARG HA H 146 4.294 4.294 4.343 -0.049 18728 768 1 . 1 1 146 146 ARG CA C 146 56.365 56.365 55.389 0.976 18728 769 1 . 1 1 146 146 ARG CB C 146 30.786 30.786 31.517 -0.731 18728 770 1 . 1 1 146 146 ARG H H 146 8.095 8.095 8.178 -0.082 18728 771 1 . 1 1 147 147 GLY N N 147 110.572 110.572 107.816 2.756 18728 772 1 . 1 1 147 147 GLY C C 147 173.384 173.384 172.984 0.400 18728 773 1 . 1 1 147 147 GLY CA C 147 45.440 45.440 45.660 -0.220 18728 774 1 . 1 1 147 147 GLY H H 147 8.401 8.401 8.698 -0.297 18728 775 1 . 1 1 148 148 PHE N N 148 114.199 114.199 115.384 -1.185 18728 776 1 . 1 1 148 148 PHE HA H 148 5.194 5.194 5.346 -0.152 18728 777 1 . 1 1 148 148 PHE C C 148 172.409 172.409 172.741 -0.332 18728 778 1 . 1 1 148 148 PHE CA C 148 55.282 55.282 55.423 -0.141 18728 779 1 . 1 1 148 148 PHE CB C 148 41.869 41.869 40.780 1.089 18728 780 1 . 1 1 148 148 PHE H H 148 7.255 7.255 7.092 0.163 18728 781 1 . 1 1 149 149 ALA N N 149 121.427 121.427 120.343 1.084 18728 782 1 . 1 1 149 149 ALA HA H 149 4.966 4.966 4.801 0.165 18728 783 1 . 1 1 149 149 ALA C C 149 174.084 174.084 174.409 -0.325 18728 784 1 . 1 1 149 149 ALA CA C 149 49.755 49.755 50.767 -1.012 18728 785 1 . 1 1 149 149 ALA CB C 149 25.094 25.094 22.631 2.463 18728 786 1 . 1 1 149 149 ALA H H 149 8.786 8.786 8.807 -0.021 18728 787 1 . 1 1 150 150 PHE N N 150 114.425 114.425 116.056 -1.631 18728 788 1 . 1 1 150 150 PHE HA H 150 5.874 5.874 5.482 0.392 18728 789 1 . 1 1 150 150 PHE C C 150 176.196 176.196 174.412 1.784 18728 790 1 . 1 1 150 150 PHE CA C 150 56.070 56.070 57.053 -0.982 18728 791 1 . 1 1 150 150 PHE CB C 150 43.251 43.251 44.371 -1.120 18728 792 1 . 1 1 150 150 PHE H H 150 8.689 8.689 9.067 -0.378 18728 793 1 . 1 1 151 151 VAL N N 151 122.489 122.489 121.180 1.309 18728 794 1 . 1 1 151 151 VAL HA H 151 4.375 4.375 4.473 -0.098 18728 795 1 . 1 1 151 151 VAL C C 151 173.932 173.932 174.308 -0.376 18728 796 1 . 1 1 151 151 VAL CA C 151 61.454 61.454 60.990 0.464 18728 797 1 . 1 1 151 151 VAL CB C 151 33.869 33.869 35.133 -1.264 18728 798 1 . 1 1 151 151 VAL H H 151 8.559 8.559 8.655 -0.096 18728 799 1 . 1 1 152 152 THR N N 152 123.112 123.112 124.328 -1.216 18728 800 1 . 1 1 152 152 THR HA H 152 4.995 4.995 4.836 0.160 18728 801 1 . 1 1 152 152 THR C C 152 174.047 174.047 173.672 0.375 18728 802 1 . 1 1 152 152 THR CA C 152 61.931 61.931 62.440 -0.508 18728 803 1 . 1 1 152 152 THR CB C 152 69.689 69.689 69.577 0.112 18728 804 1 . 1 1 152 152 THR H H 152 8.723 8.723 8.722 0.001 18728 805 1 . 1 1 153 153 PHE N N 153 127.746 127.746 126.697 1.050 18728 806 1 . 1 1 153 153 PHE HA H 153 4.840 4.840 4.657 0.183 18728 807 1 . 1 1 153 153 PHE C C 153 174.720 174.720 175.243 -0.523 18728 808 1 . 1 1 153 153 PHE CA C 153 58.098 58.098 58.166 -0.068 18728 809 1 . 1 1 153 153 PHE CB C 153 41.706 41.706 41.608 0.098 18728 810 1 . 1 1 153 153 PHE H H 153 9.368 9.368 9.215 0.153 18728 811 1 . 1 1 154 154 ASP N N 154 118.371 118.371 120.252 -1.881 18728 812 1 . 1 1 154 154 ASP HA H 154 4.486 4.486 4.658 -0.172 18728 813 1 . 1 1 154 154 ASP C C 154 175.668 175.668 175.424 0.244 18728 814 1 . 1 1 154 154 ASP CA C 154 56.114 56.114 56.311 -0.197 18728 815 1 . 1 1 154 154 ASP CB C 154 42.576 42.576 42.586 -0.010 18728 816 1 . 1 1 154 154 ASP H H 154 8.196 8.196 8.954 -0.758 18728 817 1 . 1 1 155 155 ASP N N 155 117.144 117.144 116.505 0.639 18728 818 1 . 1 1 155 155 ASP HA H 155 4.909 4.909 4.883 0.026 18728 819 1 . 1 1 155 155 ASP C C 155 176.392 176.392 175.878 0.514 18728 820 1 . 1 1 155 155 ASP CA C 155 52.615 52.615 52.523 0.092 18728 821 1 . 1 1 155 155 ASP CB C 155 44.471 44.471 44.198 0.273 18728 822 1 . 1 1 155 155 ASP H H 155 8.323 8.323 7.750 0.573 18728 823 1 . 1 1 156 156 HIS N N 156 121.508 121.508 119.783 1.725 18728 824 1 . 1 1 156 156 HIS HA H 156 4.336 4.336 4.589 -0.253 18728 825 1 . 1 1 156 156 HIS C C 156 176.855 176.855 176.263 0.592 18728 826 1 . 1 1 156 156 HIS CA C 156 58.593 58.593 57.357 1.236 18728 827 1 . 1 1 156 156 HIS CB C 156 29.703 29.703 29.981 -0.278 18728 828 1 . 1 1 156 156 HIS H H 156 8.492 8.492 8.467 0.025 18728 829 1 . 1 1 157 157 ASP N N 157 122.539 122.539 120.095 2.443 18728 830 1 . 1 1 157 157 ASP HA H 157 4.254 4.254 4.280 -0.026 18728 831 1 . 1 1 157 157 ASP C C 157 178.233 178.233 178.096 0.137 18728 832 1 . 1 1 157 157 ASP CA C 157 57.047 57.047 57.562 -0.515 18728 833 1 . 1 1 157 157 ASP CB C 157 40.875 40.875 40.415 0.460 18728 834 1 . 1 1 157 157 ASP H H 157 8.345 8.345 8.124 0.221 18728 835 1 . 1 1 158 158 SER N N 158 113.623 113.623 114.011 -0.388 18728 836 1 . 1 1 158 158 SER HA H 158 3.899 3.899 4.140 -0.241 18728 837 1 . 1 1 158 158 SER C C 158 174.750 174.750 175.892 -1.142 18728 838 1 . 1 1 158 158 SER CA C 158 61.914 61.914 61.297 0.617 18728 839 1 . 1 1 158 158 SER CB C 158 63.088 63.088 62.592 0.496 18728 840 1 . 1 1 158 158 SER H H 158 7.424 7.424 8.007 -0.583 18728 841 1 . 1 1 159 159 VAL N N 159 118.448 118.448 122.445 -3.997 18728 842 1 . 1 1 159 159 VAL HA H 159 2.913 2.913 3.335 -0.422 18728 843 1 . 1 1 159 159 VAL C C 159 177.269 177.269 177.264 0.005 18728 844 1 . 1 1 159 159 VAL CA C 159 66.512 66.512 65.993 0.519 18728 845 1 . 1 1 159 159 VAL CB C 159 31.395 31.395 31.483 -0.088 18728 846 1 . 1 1 159 159 VAL H H 159 6.484 6.484 7.025 -0.541 18728 847 1 . 1 1 160 160 ASP N N 160 119.064 119.064 119.661 -0.597 18728 848 1 . 1 1 160 160 ASP HA H 160 4.275 4.275 4.361 -0.086 18728 849 1 . 1 1 160 160 ASP C C 160 178.284 178.284 178.514 -0.230 18728 850 1 . 1 1 160 160 ASP CA C 160 57.798 57.798 57.388 0.410 18728 851 1 . 1 1 160 160 ASP CB C 160 40.288 40.288 40.744 -0.456 18728 852 1 . 1 1 160 160 ASP H H 160 7.663 7.663 8.203 -0.540 18728 853 1 . 1 1 161 161 LYS N N 161 116.568 116.568 118.879 -2.311 18728 854 1 . 1 1 161 161 LYS HA H 161 4.030 4.030 4.064 -0.034 18728 855 1 . 1 1 161 161 LYS C C 161 178.205 178.205 178.396 -0.191 18728 856 1 . 1 1 161 161 LYS CA C 161 58.796 58.796 59.344 -0.548 18728 857 1 . 1 1 161 161 LYS CB C 161 33.298 33.298 32.588 0.710 18728 858 1 . 1 1 161 161 LYS H H 161 7.465 7.465 7.634 -0.169 18728 859 1 . 1 1 162 162 ILE N N 162 119.457 119.457 117.238 2.219 18728 860 1 . 1 1 162 162 ILE HA H 162 3.241 3.241 3.672 -0.431 18728 861 1 . 1 1 162 162 ILE C C 162 179.129 179.129 177.941 1.188 18728 862 1 . 1 1 162 162 ILE CA C 162 65.201 65.201 64.346 0.855 18728 863 1 . 1 1 162 162 ILE CB C 162 39.170 39.170 38.194 0.977 18728 864 1 . 1 1 162 162 ILE H H 162 7.367 7.367 7.045 0.322 18728 865 1 . 1 1 163 163 VAL N N 163 109.705 109.705 116.824 -7.119 18728 866 1 . 1 1 163 163 VAL HA H 163 4.093 4.093 4.009 0.084 18728 867 1 . 1 1 163 163 VAL C C 163 176.685 176.685 176.755 -0.070 18728 868 1 . 1 1 163 163 VAL CA C 163 64.137 64.137 64.600 -0.463 18728 869 1 . 1 1 163 163 VAL CB C 163 30.720 30.720 31.130 -0.410 18728 870 1 . 1 1 163 163 VAL H H 163 7.814 7.814 7.785 0.029 18728 871 1 . 1 1 164 164 ILE N N 164 118.885 118.885 118.930 -0.045 18728 872 1 . 1 1 164 164 ILE HA H 164 3.968 3.968 3.842 0.126 18728 873 1 . 1 1 164 164 ILE C C 164 176.006 176.006 176.270 -0.264 18728 874 1 . 1 1 164 164 ILE CA C 164 63.328 63.328 63.607 -0.279 18728 875 1 . 1 1 164 164 ILE CB C 164 38.136 38.136 38.190 -0.054 18728 876 1 . 1 1 164 164 ILE H H 164 6.979 6.979 7.281 -0.302 18728 877 1 . 1 1 165 165 GLN N N 165 120.509 120.509 117.531 2.978 18728 878 1 . 1 1 165 165 GLN HA H 165 4.472 4.472 4.474 -0.002 18728 879 1 . 1 1 165 165 GLN C C 165 174.808 174.808 175.104 -0.297 18728 880 1 . 1 1 165 165 GLN CA C 165 54.743 54.743 54.523 0.220 18728 881 1 . 1 1 165 165 GLN CB C 165 30.183 30.183 29.198 0.985 18728 882 1 . 1 1 165 165 GLN H H 165 7.490 7.490 7.784 -0.294 18728 883 1 . 1 1 166 166 LYS N N 166 122.953 122.953 123.411 -0.458 18728 884 1 . 1 1 166 166 LYS HA H 166 3.992 3.992 4.073 -0.081 18728 885 1 . 1 1 166 166 LYS C C 166 175.496 175.496 175.541 -0.045 18728 886 1 . 1 1 166 166 LYS CA C 166 59.718 59.718 58.760 0.958 18728 887 1 . 1 1 166 166 LYS CB C 166 33.115 33.115 33.179 -0.064 18728 888 1 . 1 1 166 166 LYS H H 166 8.085 8.085 8.685 -0.600 18728 889 1 . 1 1 167 167 TYR N N 167 114.210 114.210 114.895 -0.685 18728 890 1 . 1 1 167 167 TYR HA H 167 5.457 5.457 5.424 0.033 18728 891 1 . 1 1 167 167 TYR C C 167 175.593 175.593 175.758 -0.165 18728 892 1 . 1 1 167 167 TYR CA C 167 56.417 56.417 56.861 -0.444 18728 893 1 . 1 1 167 167 TYR CB C 167 40.057 40.057 41.218 -1.161 18728 894 1 . 1 1 167 167 TYR H H 167 7.740 7.740 7.683 0.057 18728 895 1 . 1 1 168 168 HIS N N 168 122.617 122.617 121.928 0.689 18728 896 1 . 1 1 168 168 HIS HA H 168 4.526 4.526 5.055 -0.529 18728 897 1 . 1 1 168 168 HIS C C 168 174.213 174.213 174.313 -0.099 18728 898 1 . 1 1 168 168 HIS CA C 168 55.233 55.233 55.107 0.126 18728 899 1 . 1 1 168 168 HIS CB C 168 34.906 34.906 34.366 0.540 18728 900 1 . 1 1 168 168 HIS H H 168 9.035 9.035 9.401 -0.366 18728 901 1 . 1 1 169 169 THR N N 169 121.981 121.981 119.609 2.372 18728 902 1 . 1 1 169 169 THR HA H 169 4.722 4.722 4.857 -0.135 18728 903 1 . 1 1 169 169 THR C C 169 172.973 172.973 173.521 -0.548 18728 904 1 . 1 1 169 169 THR CA C 169 61.620 61.620 62.070 -0.450 18728 905 1 . 1 1 169 169 THR CB C 169 68.692 68.692 69.089 -0.397 18728 906 1 . 1 1 169 169 THR H H 169 8.784 8.784 8.685 0.099 18728 907 1 . 1 1 170 170 VAL N N 170 125.540 125.540 126.387 -0.847 18728 908 1 . 1 1 170 170 VAL HA H 170 3.751 3.751 3.964 -0.213 18728 909 1 . 1 1 170 170 VAL C C 170 175.997 175.997 175.283 0.714 18728 910 1 . 1 1 170 170 VAL CA C 170 60.770 60.770 60.004 0.766 18728 911 1 . 1 1 170 170 VAL CB C 170 34.216 34.216 33.649 0.567 18728 912 1 . 1 1 170 170 VAL H H 170 8.268 8.268 8.693 -0.425 18728 913 1 . 1 1 171 171 ASN N N 171 126.811 126.811 126.374 0.437 18728 914 1 . 1 1 171 171 ASN HA H 171 4.065 4.065 4.301 -0.236 18728 915 1 . 1 1 171 171 ASN C C 171 174.266 174.266 175.191 -0.925 18728 916 1 . 1 1 171 171 ASN CA C 171 53.184 53.184 53.651 -0.467 18728 917 1 . 1 1 171 171 ASN CB C 171 37.436 37.436 37.675 -0.239 18728 918 1 . 1 1 171 171 ASN H H 171 9.437 9.437 9.051 0.386 18728 919 1 . 1 1 172 172 GLY N N 172 100.629 100.629 102.652 -2.023 18728 920 1 . 1 1 172 172 GLY C C 172 173.335 173.335 173.738 -0.403 18728 921 1 . 1 1 172 172 GLY CA C 172 45.154 45.154 45.275 -0.121 18728 922 1 . 1 1 172 172 GLY H H 172 8.194 8.194 8.330 -0.136 18728 923 1 . 1 1 173 173 HIS N N 173 119.555 119.555 120.393 -0.838 18728 924 1 . 1 1 173 173 HIS HA H 173 4.860 4.860 4.693 0.167 18728 925 1 . 1 1 173 173 HIS CA C 173 53.723 53.723 54.822 -1.099 18728 926 1 . 1 1 173 173 HIS CB C 173 31.589 31.589 31.597 -0.008 18728 927 1 . 1 1 173 173 HIS H H 173 7.657 7.657 7.826 -0.169 18728 928 1 . 1 1 174 174 ASN N N 174 122.936 122.936 124.537 -1.601 18728 929 1 . 1 1 174 174 ASN HA H 174 4.794 4.794 5.154 -0.360 18728 930 1 . 1 1 174 174 ASN C C 174 174.918 174.918 174.807 0.111 18728 931 1 . 1 1 174 174 ASN CA C 174 53.748 53.748 53.017 0.731 18728 932 1 . 1 1 174 174 ASN CB C 174 38.185 38.185 38.821 -0.636 18728 933 1 . 1 1 174 174 ASN H H 174 8.828 8.828 8.503 0.325 18728 934 1 . 1 1 175 175 CYS N N 175 126.425 126.425 122.446 3.978 18728 935 1 . 1 1 175 175 CYS HA H 175 4.872 4.872 4.891 -0.019 18728 936 1 . 1 1 175 175 CYS C C 175 173.853 173.853 173.548 0.305 18728 937 1 . 1 1 175 175 CYS CA C 175 59.380 59.380 56.367 3.013 18728 938 1 . 1 1 175 175 CYS CB C 175 29.966 29.966 31.128 -1.162 18728 939 1 . 1 1 175 175 CYS H H 175 9.078 9.078 9.044 0.034 18728 940 1 . 1 1 176 176 GLU N N 176 124.488 124.488 121.695 2.793 18728 941 1 . 1 1 176 176 GLU HA H 176 4.661 4.661 4.725 -0.064 18728 942 1 . 1 1 176 176 GLU C C 176 175.343 175.343 175.317 0.026 18728 943 1 . 1 1 176 176 GLU CA C 176 55.296 55.296 55.468 -0.172 18728 944 1 . 1 1 176 176 GLU CB C 176 31.550 31.550 31.143 0.407 18728 945 1 . 1 1 176 176 GLU H H 176 8.161 8.161 8.960 -0.799 18728 946 1 . 1 1 177 177 VAL N N 177 122.521 122.521 124.289 -1.768 18728 947 1 . 1 1 177 177 VAL HA H 177 5.628 5.628 5.517 0.111 18728 948 1 . 1 1 177 177 VAL C C 177 175.720 175.720 174.341 1.379 18728 949 1 . 1 1 177 177 VAL CA C 177 59.713 59.713 60.018 -0.305 18728 950 1 . 1 1 177 177 VAL CB C 177 34.523 34.523 35.075 -0.552 18728 951 1 . 1 1 177 177 VAL H H 177 8.684 8.684 8.887 -0.203 18728 952 1 . 1 1 178 178 ARG N N 178 119.915 119.915 121.369 -1.454 18728 953 1 . 1 1 178 178 ARG HA H 178 4.746 4.746 4.701 0.045 18728 954 1 . 1 1 178 178 ARG C C 178 175.689 175.689 174.622 1.067 18728 955 1 . 1 1 178 178 ARG CA C 178 54.212 54.212 54.532 -0.320 18728 956 1 . 1 1 178 178 ARG CB C 178 34.184 34.184 33.082 1.101 18728 957 1 . 1 1 178 178 ARG H H 178 8.701 8.701 8.560 0.141 18728 958 1 . 1 1 179 179 LYS N N 179 121.001 121.001 121.066 -0.065 18728 959 1 . 1 1 179 179 LYS HA H 179 4.098 4.098 4.254 -0.156 18728 960 1 . 1 1 179 179 LYS C C 179 176.026 176.026 176.084 -0.058 18728 961 1 . 1 1 179 179 LYS CA C 179 59.027 59.027 56.709 2.318 18728 962 1 . 1 1 179 179 LYS CB C 179 33.377 33.377 31.694 1.683 18728 963 1 . 1 1 179 179 LYS H H 179 8.990 8.990 8.462 0.528 18728 964 1 . 1 1 180 180 ALA N N 180 126.810 126.810 128.518 -1.708 18728 965 1 . 1 1 180 180 ALA HA H 180 4.565 4.565 4.736 -0.171 18728 966 1 . 1 1 180 180 ALA C C 180 175.318 175.318 175.772 -0.454 18728 967 1 . 1 1 180 180 ALA CA C 180 51.432 51.432 50.880 0.553 18728 968 1 . 1 1 180 180 ALA CB C 180 19.201 19.201 20.903 -1.702 18728 969 1 . 1 1 180 180 ALA H H 180 8.378 8.378 8.586 -0.208 18728 970 1 . 1 1 181 181 LEU N N 181 122.300 122.300 124.022 -1.722 18728 971 1 . 1 1 181 181 LEU HA H 181 4.401 4.401 4.513 -0.112 18728 972 1 . 1 1 181 181 LEU CA C 181 54.737 54.737 53.871 0.866 18728 973 1 . 1 1 181 181 LEU CB C 181 43.199 43.199 42.856 0.343 18728 974 1 . 1 1 181 181 LEU H H 181 8.001 8.001 8.450 -0.450 18728 975 1 . 1 1 182 182 SER HA H 182 4.406 4.406 4.382 0.024 18728 976 1 . 1 1 182 182 SER CA C 182 58.100 58.100 57.760 0.340 18728 977 1 . 1 1 182 182 SER CB C 182 64.440 64.440 64.538 -0.098 18728 978 1 . 1 1 183 183 LYS HA H 183 4.101 4.101 4.007 0.094 18728 979 1 . 1 1 183 183 LYS C C 183 177.343 177.343 178.705 -1.362 18728 980 1 . 1 1 183 183 LYS CA C 183 57.744 57.744 59.276 -1.532 18728 981 1 . 1 1 183 183 LYS CB C 183 32.586 32.586 32.086 0.500 18728 982 1 . 1 1 184 184 GLN N N 184 120.056 120.056 118.233 1.823 18728 983 1 . 1 1 184 184 GLN HA H 184 4.167 4.167 4.149 0.018 18728 984 1 . 1 1 184 184 GLN C C 184 176.718 176.718 178.003 -1.285 18728 985 1 . 1 1 184 184 GLN CA C 184 56.981 56.981 59.140 -2.159 18728 986 1 . 1 1 184 184 GLN CB C 184 28.990 28.990 28.330 0.660 18728 987 1 . 1 1 184 184 GLN H H 184 8.320 8.320 8.310 0.010 18728 988 1 . 1 1 185 185 GLU N N 185 121.610 121.610 119.026 2.584 18728 989 1 . 1 1 185 185 GLU HA H 185 4.132 4.132 4.126 0.006 18728 990 1 . 1 1 185 185 GLU C C 185 177.117 177.117 178.786 -1.669 18728 991 1 . 1 1 185 185 GLU CA C 185 57.234 57.234 58.677 -1.443 18728 992 1 . 1 1 185 185 GLU CB C 185 30.235 30.235 29.239 0.996 18728 993 1 . 1 1 185 185 GLU H H 185 8.143 8.143 8.003 0.140 18728 994 1 . 1 1 186 186 MET N N 186 120.092 120.092 118.113 1.979 18728 995 1 . 1 1 186 186 MET HA H 186 4.289 4.289 4.237 0.052 18728 996 1 . 1 1 186 186 MET C C 186 176.438 176.438 178.060 -1.622 18728 997 1 . 1 1 186 186 MET CA C 186 56.069 56.069 58.317 -2.248 18728 998 1 . 1 1 186 186 MET CB C 186 32.847 32.847 32.815 0.032 18728 999 1 . 1 1 186 186 MET H H 186 8.195 8.195 8.308 -0.113 18728 1000 1 . 1 1 187 187 ALA N N 187 124.104 124.104 119.923 4.181 18728 1001 1 . 1 1 187 187 ALA HA H 187 4.297 4.297 4.313 -0.016 18728 1002 1 . 1 1 187 187 ALA C C 187 178.107 178.107 177.573 0.534 18728 1003 1 . 1 1 187 187 ALA CA C 187 52.912 52.912 52.813 0.099 18728 1004 1 . 1 1 187 187 ALA CB C 187 19.060 19.060 19.269 -0.210 18728 1005 1 . 1 1 187 187 ALA H H 187 8.060 8.060 7.832 0.228 18728 1006 1 . 1 1 188 188 SER N N 188 114.374 114.374 111.767 2.607 18728 1007 1 . 1 1 188 188 SER HA H 188 4.357 4.357 4.171 0.186 18728 1008 1 . 1 1 188 188 SER C C 188 174.757 174.757 173.768 0.989 18728 1009 1 . 1 1 188 188 SER CA C 188 58.598 58.598 59.042 -0.444 18728 1010 1 . 1 1 188 188 SER CB C 188 63.734 63.734 61.670 2.064 18728 1011 1 . 1 1 188 188 SER H H 188 8.173 8.173 7.865 0.308 18728 1012 1 . 1 1 189 189 ALA N N 189 125.637 125.637 122.816 2.821 18728 1013 1 . 1 1 189 189 ALA HA H 189 4.246 4.246 4.447 -0.201 18728 1014 1 . 1 1 189 189 ALA CA C 189 53.015 53.015 51.646 1.369 18728 1015 1 . 1 1 189 189 ALA CB C 189 19.069 19.069 20.381 -1.312 18728 1016 1 . 1 1 189 189 ALA H H 189 8.207 8.207 7.806 0.401 18728 stop_ save_