data_17614 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17614 _Entry.PDB_ID 2LCK 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 17614 _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 3 3 VAL N N 15 123.095 123.095 120.511 2.584 17614 2 1 1 . 1 1 3 3 VAL C C 15 176.453 176.453 175.377 1.076 17614 3 1 1 . 1 1 3 3 VAL CA C 15 63.979 63.979 60.915 3.064 17614 4 1 1 . 1 1 3 3 VAL CB C 15 32.507 32.507 34.886 -2.379 17614 5 1 1 . 1 1 3 3 VAL H H 15 8.053 8.053 8.255 -0.202 17614 6 1 1 . 1 1 4 4 LYS N N 16 123.075 123.075 121.787 1.288 17614 7 1 1 . 1 1 4 4 LYS C C 16 176.841 176.841 178.777 -1.936 17614 8 1 1 . 1 1 4 4 LYS CA C 16 59.762 59.762 59.878 -0.116 17614 9 1 1 . 1 1 4 4 LYS CB C 16 32.751 32.751 32.453 0.298 17614 10 1 1 . 1 1 4 4 LYS H H 16 8.059 8.059 8.532 -0.473 17614 11 1 1 . 1 1 5 5 PHE N N 17 118.838 118.838 120.464 -1.626 17614 12 1 1 . 1 1 5 5 PHE C C 17 175.443 175.443 177.470 -2.027 17614 13 1 1 . 1 1 5 5 PHE CA C 17 59.915 59.915 60.573 -0.658 17614 14 1 1 . 1 1 5 5 PHE CB C 17 39.659 39.659 38.804 0.855 17614 15 1 1 . 1 1 5 5 PHE H H 17 7.909 7.909 8.069 -0.160 17614 16 1 1 . 1 1 6 6 LEU N N 18 119.089 119.089 120.076 -0.987 17614 17 1 1 . 1 1 6 6 LEU C C 18 177.195 177.195 177.640 -0.445 17614 18 1 1 . 1 1 6 6 LEU CA C 18 55.385 55.385 56.852 -1.467 17614 19 1 1 . 1 1 6 6 LEU CB C 18 42.905 42.905 41.902 1.003 17614 20 1 1 . 1 1 6 6 LEU H H 18 7.814 7.814 8.174 -0.360 17614 21 1 1 . 1 1 7 7 GLY N N 19 108.484 108.484 107.906 0.578 17614 22 1 1 . 1 1 7 7 GLY C C 19 174.967 174.967 175.264 -0.297 17614 23 1 1 . 1 1 7 7 GLY CA C 19 45.518 45.518 47.167 -1.649 17614 24 1 1 . 1 1 7 7 GLY H H 19 8.032 8.032 8.477 -0.445 17614 25 1 1 . 1 1 8 8 ALA N N 20 124.208 124.208 123.469 0.739 17614 26 1 1 . 1 1 8 8 ALA C C 20 179.405 179.405 179.433 -0.028 17614 27 1 1 . 1 1 8 8 ALA CA C 20 54.531 54.531 54.483 0.048 17614 28 1 1 . 1 1 8 8 ALA CB C 20 18.995 18.995 18.171 0.824 17614 29 1 1 . 1 1 8 8 ALA H H 20 8.318 8.318 8.010 0.308 17614 30 1 1 . 1 1 9 9 GLY N N 21 108.209 108.209 107.063 1.146 17614 31 1 1 . 1 1 9 9 GLY C C 21 175.676 175.676 176.198 -0.522 17614 32 1 1 . 1 1 9 9 GLY CA C 21 46.742 46.742 47.369 -0.627 17614 33 1 1 . 1 1 9 9 GLY H H 21 8.523 8.523 8.051 0.472 17614 34 1 1 . 1 1 10 10 THR N N 22 119.542 119.542 115.144 4.398 17614 35 1 1 . 1 1 10 10 THR C C 22 175.661 175.661 176.072 -0.411 17614 36 1 1 . 1 1 10 10 THR CA C 22 66.401 66.401 65.656 0.745 17614 37 1 1 . 1 1 10 10 THR CB C 22 68.866 68.866 68.436 0.430 17614 38 1 1 . 1 1 10 10 THR H H 22 7.881 7.881 8.298 -0.417 17614 39 1 1 . 1 1 11 11 ALA N N 23 123.431 123.431 124.062 -0.631 17614 40 1 1 . 1 1 11 11 ALA C C 23 178.628 178.628 179.073 -0.445 17614 41 1 1 . 1 1 11 11 ALA CA C 23 55.480 55.480 54.856 0.624 17614 42 1 1 . 1 1 11 11 ALA CB C 23 18.218 18.218 18.027 0.191 17614 43 1 1 . 1 1 11 11 ALA H H 23 8.263 8.263 7.478 0.785 17614 44 1 1 . 1 1 12 12 ALA N N 24 119.939 119.939 120.280 -0.341 17614 45 1 1 . 1 1 12 12 ALA C C 24 179.172 179.172 179.345 -0.173 17614 46 1 1 . 1 1 12 12 ALA CA C 24 55.038 55.038 54.917 0.121 17614 47 1 1 . 1 1 12 12 ALA CB C 24 18.385 18.385 18.147 0.238 17614 48 1 1 . 1 1 12 12 ALA H H 24 7.827 7.827 8.050 -0.223 17614 49 1 1 . 1 1 13 13 CYS N N 25 116.736 116.736 116.686 0.050 17614 50 1 1 . 1 1 13 13 CYS C C 25 176.220 176.220 176.730 -0.510 17614 51 1 1 . 1 1 13 13 CYS CA C 25 58.596 58.596 64.004 -5.408 17614 52 1 1 . 1 1 13 13 CYS CB C 25 41.771 41.771 27.899 13.872 17614 53 1 1 . 1 1 13 13 CYS H H 25 7.677 7.677 7.470 0.207 17614 54 1 1 . 1 1 14 14 ILE N N 26 119.154 119.154 119.283 -0.129 17614 55 1 1 . 1 1 14 14 ILE C C 26 176.915 176.915 177.219 -0.304 17614 56 1 1 . 1 1 14 14 ILE CA C 26 64.858 64.858 63.982 0.876 17614 57 1 1 . 1 1 14 14 ILE CB C 26 38.090 38.090 36.523 1.567 17614 58 1 1 . 1 1 14 14 ILE H H 26 7.899 7.899 7.356 0.543 17614 59 1 1 . 1 1 15 15 ALA N N 27 121.116 121.116 122.819 -1.703 17614 60 1 1 . 1 1 15 15 ALA C C 27 179.016 179.016 178.993 0.023 17614 61 1 1 . 1 1 15 15 ALA CA C 27 55.367 55.367 55.021 0.346 17614 62 1 1 . 1 1 15 15 ALA CB C 27 18.385 18.385 18.821 -0.436 17614 63 1 1 . 1 1 15 15 ALA H H 27 7.909 7.909 7.591 0.318 17614 64 1 1 . 1 1 16 16 ASP N N 28 116.829 116.829 116.961 -0.132 17614 65 1 1 . 1 1 16 16 ASP C C 28 177.643 177.643 178.124 -0.481 17614 66 1 1 . 1 1 16 16 ASP CA C 28 56.453 56.453 55.845 0.608 17614 67 1 1 . 1 1 16 16 ASP CB C 28 41.128 41.128 40.260 0.868 17614 68 1 1 . 1 1 16 16 ASP H H 28 7.554 7.554 7.640 -0.086 17614 69 1 1 . 1 1 17 17 LEU N N 29 119.672 119.672 121.359 -1.687 17614 70 1 1 . 1 1 17 17 LEU C C 29 178.628 178.628 178.937 -0.309 17614 71 1 1 . 1 1 17 17 LEU CA C 29 57.144 57.144 58.234 -1.090 17614 72 1 1 . 1 1 17 17 LEU CB C 29 43.146 43.146 42.324 0.822 17614 73 1 1 . 1 1 17 17 LEU H H 29 7.732 7.732 7.362 0.370 17614 74 1 1 . 1 1 18 18 ILE N N 30 113.629 113.629 113.130 0.499 17614 75 1 1 . 1 1 18 18 ILE C C 30 176.456 176.456 176.835 -0.379 17614 76 1 1 . 1 1 18 18 ILE CA C 30 60.539 60.539 63.689 -3.150 17614 77 1 1 . 1 1 18 18 ILE CB C 30 38.506 38.506 37.386 1.120 17614 78 1 1 . 1 1 18 18 ILE H H 30 7.977 7.977 7.628 0.349 17614 79 1 1 . 1 1 19 19 THR N N 31 113.314 113.314 115.597 -2.283 17614 80 1 1 . 1 1 19 19 THR C C 31 174.045 174.045 175.216 -1.171 17614 81 1 1 . 1 1 19 19 THR CA C 31 62.495 62.495 63.921 -1.426 17614 82 1 1 . 1 1 19 19 THR CB C 31 69.898 69.898 70.117 -0.219 17614 83 1 1 . 1 1 19 19 THR H H 31 7.738 7.738 7.101 0.637 17614 84 1 1 . 1 1 20 20 PHE N N 32 123.409 123.409 123.470 -0.061 17614 85 1 1 . 1 1 20 20 PHE CA C 32 56.349 56.349 62.960 -6.611 17614 86 1 1 . 1 1 20 20 PHE CB C 32 39.148 39.148 37.368 1.780 17614 87 1 1 . 1 1 20 20 PHE H H 32 7.609 7.609 8.622 -1.013 17614 88 1 1 . 1 1 21 21 PRO C C 33 177.831 177.831 177.506 0.325 17614 89 1 1 . 1 1 21 21 PRO CA C 33 62.656 62.656 65.309 -2.653 17614 90 1 1 . 1 1 21 21 PRO CB C 33 34.762 34.762 31.269 3.493 17614 91 1 1 . 1 1 22 22 LEU N N 34 124.503 124.503 117.131 7.372 17614 92 1 1 . 1 1 22 22 LEU C C 34 176.298 176.298 178.345 -2.047 17614 93 1 1 . 1 1 22 22 LEU CA C 34 55.545 55.545 57.304 -1.759 17614 94 1 1 . 1 1 22 22 LEU CB C 34 43.287 43.287 41.499 1.788 17614 95 1 1 . 1 1 22 22 LEU H H 34 8.659 8.659 7.242 1.417 17614 96 1 1 . 1 1 23 23 ASP N N 35 121.663 121.663 118.163 3.500 17614 97 1 1 . 1 1 23 23 ASP C C 35 177.152 177.152 178.143 -0.991 17614 98 1 1 . 1 1 23 23 ASP CA C 35 54.326 54.326 56.906 -2.580 17614 99 1 1 . 1 1 23 23 ASP CB C 35 41.154 41.154 39.579 1.575 17614 100 1 1 . 1 1 23 23 ASP H H 35 8.236 8.236 7.753 0.483 17614 101 1 1 . 1 1 24 24 THR N N 36 115.977 115.977 112.632 3.345 17614 102 1 1 . 1 1 24 24 THR C C 36 177.088 177.088 176.211 0.877 17614 103 1 1 . 1 1 24 24 THR CA C 36 64.868 64.868 65.824 -0.956 17614 104 1 1 . 1 1 24 24 THR CB C 36 69.053 69.053 68.040 1.013 17614 105 1 1 . 1 1 24 24 THR H H 36 8.127 8.127 7.943 0.184 17614 106 1 1 . 1 1 25 25 ALA N N 37 125.063 125.063 124.188 0.875 17614 107 1 1 . 1 1 25 25 ALA C C 37 179.143 179.143 179.512 -0.369 17614 108 1 1 . 1 1 25 25 ALA CA C 37 55.234 55.234 55.103 0.131 17614 109 1 1 . 1 1 25 25 ALA CB C 37 18.735 18.735 18.337 0.398 17614 110 1 1 . 1 1 25 25 ALA H H 37 8.042 8.042 8.642 -0.600 17614 111 1 1 . 1 1 26 26 LYS N N 38 117.827 117.827 118.245 -0.418 17614 112 1 1 . 1 1 26 26 LYS C C 38 178.239 178.239 178.419 -0.180 17614 113 1 1 . 1 1 26 26 LYS CA C 38 58.861 58.861 59.104 -0.243 17614 114 1 1 . 1 1 26 26 LYS CB C 38 32.724 32.724 32.302 0.422 17614 115 1 1 . 1 1 26 26 LYS H H 38 7.759 7.759 7.623 0.136 17614 116 1 1 . 1 1 27 27 VAL N N 39 118.955 118.955 115.380 3.575 17614 117 1 1 . 1 1 27 27 VAL C C 39 177.892 177.892 177.797 0.095 17614 118 1 1 . 1 1 27 27 VAL CA C 39 65.478 65.478 65.040 0.438 17614 119 1 1 . 1 1 27 27 VAL CB C 39 34.675 34.675 31.350 3.325 17614 120 1 1 . 1 1 27 27 VAL H H 39 7.554 7.554 7.574 -0.020 17614 121 1 1 . 1 1 28 28 ARG N N 40 119.922 119.922 120.311 -0.389 17614 122 1 1 . 1 1 28 28 ARG C C 40 178.391 178.391 178.999 -0.608 17614 123 1 1 . 1 1 28 28 ARG CA C 40 59.648 59.648 57.693 1.955 17614 124 1 1 . 1 1 28 28 ARG CB C 40 29.933 29.933 29.817 0.116 17614 125 1 1 . 1 1 28 28 ARG H H 40 7.794 7.794 7.495 0.299 17614 126 1 1 . 1 1 29 29 LEU N N 41 118.720 118.720 119.977 -1.257 17614 127 1 1 . 1 1 29 29 LEU CA C 41 54.749 54.749 55.228 -0.479 17614 128 1 1 . 1 1 29 29 LEU CB C 41 40.429 40.429 40.811 -0.382 17614 129 1 1 . 1 1 29 29 LEU H H 41 7.534 7.534 7.618 -0.084 17614 130 1 1 . 1 1 37 37 GLY C C 49 174.779 174.779 175.368 -0.589 17614 131 1 1 . 1 1 38 38 LEU N N 50 123.029 123.029 121.852 1.177 17614 132 1 1 . 1 1 38 38 LEU C C 50 178.482 178.482 179.063 -0.581 17614 133 1 1 . 1 1 38 38 LEU CA C 50 56.765 56.765 56.899 -0.134 17614 134 1 1 . 1 1 38 38 LEU CB C 50 41.673 41.673 41.418 0.255 17614 135 1 1 . 1 1 38 38 LEU H H 50 8.113 8.113 7.961 0.152 17614 136 1 1 . 1 1 39 39 VAL N N 51 118.714 118.714 119.406 -0.692 17614 137 1 1 . 1 1 39 39 VAL C C 51 178.032 178.032 178.348 -0.316 17614 138 1 1 . 1 1 39 39 VAL CA C 51 66.037 66.037 65.792 0.245 17614 139 1 1 . 1 1 39 39 VAL CB C 51 30.763 30.763 31.507 -0.744 17614 140 1 1 . 1 1 39 39 VAL H H 51 7.974 7.974 8.115 -0.141 17614 141 1 1 . 1 1 40 40 ARG N N 52 121.569 121.569 117.495 4.074 17614 142 1 1 . 1 1 40 40 ARG CA C 52 59.167 59.167 58.556 0.611 17614 143 1 1 . 1 1 40 40 ARG CB C 52 29.437 29.437 29.567 -0.129 17614 144 1 1 . 1 1 40 40 ARG H H 52 8.231 8.231 8.301 -0.070 17614 145 1 1 . 1 1 41 41 THR C C 53 175.108 175.108 174.766 0.342 17614 146 1 1 . 1 1 41 41 THR H H 53 7.948 7.948 7.504 0.444 17614 147 1 1 . 1 1 42 42 ALA N N 54 121.823 121.823 123.766 -1.943 17614 148 1 1 . 1 1 42 42 ALA C C 54 174.922 174.922 175.692 -0.770 17614 149 1 1 . 1 1 42 42 ALA CA C 54 50.101 50.101 51.532 -1.431 17614 150 1 1 . 1 1 42 42 ALA CB C 54 18.950 18.950 19.828 -0.878 17614 151 1 1 . 1 1 42 42 ALA H H 54 7.792 7.792 7.564 0.228 17614 152 1 1 . 1 1 43 43 ALA N N 55 113.986 113.986 125.889 -11.903 17614 153 1 1 . 1 1 43 43 ALA C C 55 178.007 178.007 177.158 0.849 17614 154 1 1 . 1 1 43 43 ALA CA C 55 53.458 53.458 53.100 0.358 17614 155 1 1 . 1 1 43 43 ALA CB C 55 18.809 18.809 18.647 0.162 17614 156 1 1 . 1 1 43 43 ALA H H 55 7.333 7.333 8.620 -1.287 17614 157 1 1 . 1 1 44 44 SER N N 56 125.425 125.425 114.825 10.600 17614 158 1 1 . 1 1 44 44 SER C C 56 174.899 174.899 173.790 1.109 17614 159 1 1 . 1 1 44 44 SER CA C 56 59.520 59.520 57.568 1.952 17614 160 1 1 . 1 1 44 44 SER CB C 56 64.051 64.051 64.834 -0.783 17614 161 1 1 . 1 1 44 44 SER H H 56 7.786 7.786 7.531 0.255 17614 162 1 1 . 1 1 45 45 ALA N N 57 118.183 118.183 121.412 -3.229 17614 163 1 1 . 1 1 45 45 ALA CA C 57 53.783 53.783 52.563 1.220 17614 164 1 1 . 1 1 45 45 ALA CB C 57 17.599 17.599 18.020 -0.421 17614 165 1 1 . 1 1 45 45 ALA H H 57 8.018 8.018 7.968 0.050 17614 166 1 1 . 1 1 47 47 TYR C C 59 177.662 177.662 176.232 1.430 17614 167 1 1 . 1 1 48 48 ARG N N 60 122.798 122.798 120.474 2.324 17614 168 1 1 . 1 1 48 48 ARG C C 60 177.956 177.956 176.681 1.275 17614 169 1 1 . 1 1 48 48 ARG CA C 60 58.711 58.711 57.354 1.357 17614 170 1 1 . 1 1 48 48 ARG CB C 60 30.659 30.659 30.212 0.448 17614 171 1 1 . 1 1 48 48 ARG H H 60 8.311 8.311 8.668 -0.357 17614 172 1 1 . 1 1 49 49 GLY N N 61 109.033 109.033 107.254 1.779 17614 173 1 1 . 1 1 49 49 GLY C C 61 176.064 176.064 175.606 0.458 17614 174 1 1 . 1 1 49 49 GLY CA C 61 46.592 46.592 45.458 1.134 17614 175 1 1 . 1 1 49 49 GLY H H 61 8.182 8.182 8.127 0.055 17614 176 1 1 . 1 1 50 50 VAL N N 62 123.218 123.218 123.435 -0.217 17614 177 1 1 . 1 1 50 50 VAL C C 62 177.540 177.540 177.361 0.179 17614 178 1 1 . 1 1 50 50 VAL CA C 62 66.277 66.277 64.314 1.963 17614 179 1 1 . 1 1 50 50 VAL CB C 62 32.355 32.355 31.781 0.574 17614 180 1 1 . 1 1 50 50 VAL H H 62 8.105 8.105 8.350 -0.245 17614 181 1 1 . 1 1 51 51 LEU N N 63 120.295 120.295 120.708 -0.413 17614 182 1 1 . 1 1 51 51 LEU C C 63 178.628 178.628 179.446 -0.818 17614 183 1 1 . 1 1 51 51 LEU CA C 63 58.366 58.366 57.678 0.688 17614 184 1 1 . 1 1 51 51 LEU CB C 63 41.675 41.675 39.806 1.869 17614 185 1 1 . 1 1 51 51 LEU H H 63 8.182 8.182 8.390 -0.208 17614 186 1 1 . 1 1 52 52 GLY N N 64 106.013 106.013 106.059 -0.046 17614 187 1 1 . 1 1 52 52 GLY C C 64 176.531 176.531 176.176 0.355 17614 188 1 1 . 1 1 52 52 GLY CA C 64 47.765 47.765 47.236 0.529 17614 189 1 1 . 1 1 52 52 GLY H H 64 8.102 8.102 8.387 -0.285 17614 190 1 1 . 1 1 53 53 THR N N 65 120.842 120.842 115.948 4.894 17614 191 1 1 . 1 1 53 53 THR C C 65 176.453 176.453 176.470 -0.017 17614 192 1 1 . 1 1 53 53 THR CA C 65 67.140 67.140 65.356 1.784 17614 193 1 1 . 1 1 53 53 THR CB C 65 69.161 69.161 68.893 0.268 17614 194 1 1 . 1 1 53 53 THR H H 65 7.854 7.854 7.464 0.390 17614 195 1 1 . 1 1 54 54 ILE N N 66 122.676 122.676 122.908 -0.232 17614 196 1 1 . 1 1 54 54 ILE C C 66 177.307 177.307 177.009 0.298 17614 197 1 1 . 1 1 54 54 ILE CA C 66 65.832 65.832 64.177 1.655 17614 198 1 1 . 1 1 54 54 ILE CB C 66 38.090 38.090 38.055 0.035 17614 199 1 1 . 1 1 54 54 ILE H H 66 8.018 8.018 7.453 0.565 17614 200 1 1 . 1 1 55 55 LEU N N 67 119.838 119.838 119.316 0.522 17614 201 1 1 . 1 1 55 55 LEU C C 67 178.706 178.706 178.707 -0.001 17614 202 1 1 . 1 1 55 55 LEU CA C 67 58.491 58.491 57.978 0.513 17614 203 1 1 . 1 1 55 55 LEU CB C 67 41.387 41.387 40.765 0.622 17614 204 1 1 . 1 1 55 55 LEU H H 67 8.291 8.291 7.578 0.713 17614 205 1 1 . 1 1 56 56 THR N N 68 115.362 115.362 115.000 0.362 17614 206 1 1 . 1 1 56 56 THR C C 68 176.764 176.764 176.459 0.305 17614 207 1 1 . 1 1 56 56 THR CA C 68 67.040 67.040 66.723 0.317 17614 208 1 1 . 1 1 56 56 THR CB C 68 69.403 69.403 68.885 0.518 17614 209 1 1 . 1 1 56 56 THR H H 68 7.963 7.963 7.234 0.729 17614 210 1 1 . 1 1 57 57 MET N N 69 122.960 122.960 119.822 3.138 17614 211 1 1 . 1 1 57 57 MET C C 69 177.153 177.153 177.835 -0.682 17614 212 1 1 . 1 1 57 57 MET CA C 69 59.710 59.710 59.181 0.529 17614 213 1 1 . 1 1 57 57 MET CB C 69 33.111 33.111 32.273 0.838 17614 214 1 1 . 1 1 57 57 MET H H 69 7.977 7.977 7.636 0.341 17614 215 1 1 . 1 1 58 58 VAL N N 70 119.558 119.558 119.880 -0.322 17614 216 1 1 . 1 1 58 58 VAL C C 70 176.841 176.841 177.381 -0.540 17614 217 1 1 . 1 1 58 58 VAL CA C 70 66.277 66.277 65.416 0.861 17614 218 1 1 . 1 1 58 58 VAL CB C 70 31.362 31.362 31.906 -0.544 17614 219 1 1 . 1 1 58 58 VAL H H 70 7.751 7.751 7.610 0.141 17614 220 1 1 . 1 1 59 59 ARG N N 71 118.002 118.002 118.413 -0.411 17614 221 1 1 . 1 1 59 59 ARG C C 71 177.152 177.152 177.877 -0.725 17614 222 1 1 . 1 1 59 59 ARG CA C 71 58.761 58.761 58.209 0.552 17614 223 1 1 . 1 1 59 59 ARG CB C 71 30.656 30.656 30.103 0.553 17614 224 1 1 . 1 1 59 59 ARG H H 71 7.827 7.827 7.676 0.151 17614 225 1 1 . 1 1 60 60 THR N N 72 111.410 111.410 114.390 -2.980 17614 226 1 1 . 1 1 60 60 THR C C 72 175.288 175.288 175.679 -0.391 17614 227 1 1 . 1 1 60 60 THR CA C 72 64.194 64.194 65.355 -1.161 17614 228 1 1 . 1 1 60 60 THR CB C 72 70.312 70.312 69.107 1.205 17614 229 1 1 . 1 1 60 60 THR H H 72 7.745 7.745 7.733 0.012 17614 230 1 1 . 1 1 61 61 GLU N N 73 120.577 120.577 119.396 1.181 17614 231 1 1 . 1 1 61 61 GLU C C 73 177.696 177.696 176.293 1.403 17614 232 1 1 . 1 1 61 61 GLU CA C 73 57.363 57.363 56.051 1.312 17614 233 1 1 . 1 1 61 61 GLU CB C 73 30.927 30.927 31.570 -0.642 17614 234 1 1 . 1 1 61 61 GLU H H 73 8.263 8.263 8.055 0.208 17614 235 1 1 . 1 1 62 62 GLY N N 74 108.209 108.209 105.243 2.966 17614 236 1 1 . 1 1 62 62 GLY CA C 74 45.593 45.593 44.709 0.884 17614 237 1 1 . 1 1 62 62 GLY H H 74 7.841 7.841 7.372 0.469 17614 238 1 1 . 1 1 63 63 PRO C C 75 177.152 177.152 178.476 -1.324 17614 239 1 1 . 1 1 63 63 PRO CA C 75 65.652 65.652 64.586 1.066 17614 240 1 1 . 1 1 63 63 PRO CB C 75 32.294 32.294 32.195 0.099 17614 241 1 1 . 1 1 64 64 ARG N N 76 118.553 118.553 117.194 1.359 17614 242 1 1 . 1 1 64 64 ARG C C 76 177.696 177.696 177.834 -0.138 17614 243 1 1 . 1 1 64 64 ARG CA C 76 59.785 59.785 58.044 1.741 17614 244 1 1 . 1 1 64 64 ARG CB C 76 29.671 29.671 29.201 0.470 17614 245 1 1 . 1 1 64 64 ARG H H 76 8.427 8.427 8.645 -0.218 17614 246 1 1 . 1 1 65 65 SER N N 77 115.323 115.323 113.781 1.542 17614 247 1 1 . 1 1 65 65 SER C C 77 177.230 177.230 175.640 1.590 17614 248 1 1 . 1 1 65 65 SER CA C 77 61.318 61.318 60.790 0.528 17614 249 1 1 . 1 1 65 65 SER CB C 77 63.281 63.281 63.557 -0.276 17614 250 1 1 . 1 1 65 65 SER H H 77 7.963 7.963 8.064 -0.101 17614 251 1 1 . 1 1 66 66 LEU N N 78 122.598 122.598 119.416 3.182 17614 252 1 1 . 1 1 66 66 LEU C C 78 177.696 177.696 177.563 0.133 17614 253 1 1 . 1 1 66 66 LEU CA C 78 57.792 57.792 56.821 0.971 17614 254 1 1 . 1 1 66 66 LEU CB C 78 42.202 42.202 42.300 -0.097 17614 255 1 1 . 1 1 66 66 LEU H H 78 7.595 7.595 7.525 0.070 17614 256 1 1 . 1 1 67 67 TYR N N 79 119.276 119.276 112.983 6.293 17614 257 1 1 . 1 1 67 67 TYR C C 79 176.142 176.142 175.189 0.953 17614 258 1 1 . 1 1 67 67 TYR CA C 79 60.792 60.792 58.589 2.203 17614 259 1 1 . 1 1 67 67 TYR CB C 79 38.687 38.687 38.852 -0.165 17614 260 1 1 . 1 1 67 67 TYR H H 79 7.868 7.868 7.477 0.391 17614 261 1 1 . 1 1 68 68 ASN N N 80 117.249 117.249 118.220 -0.971 17614 262 1 1 . 1 1 68 68 ASN C C 80 178.472 178.472 175.572 2.900 17614 263 1 1 . 1 1 68 68 ASN CA C 80 53.024 53.024 53.135 -0.111 17614 264 1 1 . 1 1 68 68 ASN CB C 80 37.946 37.946 38.851 -0.905 17614 265 1 1 . 1 1 68 68 ASN H H 80 8.374 8.374 7.338 1.036 17614 266 1 1 . 1 1 69 69 GLY N N 81 108.575 108.575 114.218 -5.643 17614 267 1 1 . 1 1 69 69 GLY C C 81 175.521 175.521 175.393 0.128 17614 268 1 1 . 1 1 69 69 GLY CA C 81 46.266 46.266 45.636 0.630 17614 269 1 1 . 1 1 69 69 GLY H H 81 8.086 8.086 8.574 -0.488 17614 270 1 1 . 1 1 70 70 LEU N N 82 124.326 124.326 121.447 2.879 17614 271 1 1 . 1 1 70 70 LEU C C 82 178.239 178.239 177.878 0.361 17614 272 1 1 . 1 1 70 70 LEU CA C 82 58.217 58.217 57.664 0.553 17614 273 1 1 . 1 1 70 70 LEU CB C 82 42.351 42.351 41.376 0.975 17614 274 1 1 . 1 1 70 70 LEU H H 82 7.991 7.991 7.267 0.724 17614 275 1 1 . 1 1 71 71 VAL N N 83 117.727 117.727 114.210 3.517 17614 276 1 1 . 1 1 71 71 VAL C C 83 177.851 177.851 177.401 0.450 17614 277 1 1 . 1 1 71 71 VAL CA C 83 64.113 64.113 64.833 -0.720 17614 278 1 1 . 1 1 71 71 VAL CB C 83 31.924 31.924 31.018 0.906 17614 279 1 1 . 1 1 71 71 VAL H H 83 8.004 8.004 7.980 0.024 17614 280 1 1 . 1 1 72 72 ALA N N 84 121.414 121.414 122.579 -1.165 17614 281 1 1 . 1 1 72 72 ALA C C 84 180.570 180.570 179.511 1.059 17614 282 1 1 . 1 1 72 72 ALA CA C 84 55.031 55.031 54.645 0.386 17614 283 1 1 . 1 1 72 72 ALA CB C 84 18.286 18.286 18.207 0.079 17614 284 1 1 . 1 1 72 72 ALA H H 84 7.677 7.677 7.536 0.141 17614 285 1 1 . 1 1 73 73 GLY N N 85 106.471 106.471 107.591 -1.120 17614 286 1 1 . 1 1 73 73 GLY C C 85 175.521 175.521 176.027 -0.506 17614 287 1 1 . 1 1 73 73 GLY CA C 85 47.191 47.191 46.681 0.510 17614 288 1 1 . 1 1 73 73 GLY H H 85 7.963 7.963 7.675 0.288 17614 289 1 1 . 1 1 74 74 LEU N N 86 122.326 122.326 122.103 0.223 17614 290 1 1 . 1 1 74 74 LEU C C 86 178.239 178.239 178.727 -0.488 17614 291 1 1 . 1 1 74 74 LEU CA C 86 57.493 57.493 57.846 -0.353 17614 292 1 1 . 1 1 74 74 LEU CB C 86 42.202 42.202 41.694 0.507 17614 293 1 1 . 1 1 74 74 LEU H H 86 8.100 8.100 7.505 0.595 17614 294 1 1 . 1 1 75 75 GLN N N 87 117.736 117.736 117.887 -0.151 17614 295 1 1 . 1 1 75 75 GLN C C 87 177.340 177.340 178.031 -0.691 17614 296 1 1 . 1 1 75 75 GLN CA C 87 57.787 57.787 59.065 -1.278 17614 297 1 1 . 1 1 75 75 GLN CB C 87 28.942 28.942 28.514 0.428 17614 298 1 1 . 1 1 75 75 GLN H H 87 8.004 8.004 7.791 0.213 17614 299 1 1 . 1 1 76 76 ARG N N 88 118.107 118.107 119.402 -1.295 17614 300 1 1 . 1 1 76 76 ARG C C 88 177.930 177.930 178.469 -0.539 17614 301 1 1 . 1 1 76 76 ARG CA C 88 58.062 58.062 59.414 -1.353 17614 302 1 1 . 1 1 76 76 ARG CB C 88 30.774 30.774 29.810 0.964 17614 303 1 1 . 1 1 76 76 ARG H H 88 7.568 7.568 7.378 0.190 17614 304 1 1 . 1 1 77 77 GLN N N 89 117.921 117.921 118.555 -0.634 17614 305 1 1 . 1 1 77 77 GLN C C 89 177.375 177.375 178.411 -1.036 17614 306 1 1 . 1 1 77 77 GLN CA C 89 56.838 56.838 58.506 -1.668 17614 307 1 1 . 1 1 77 77 GLN CB C 89 29.006 29.006 28.646 0.360 17614 308 1 1 . 1 1 77 77 GLN H H 89 7.827 7.827 7.484 0.343 17614 309 1 1 . 1 1 78 78 MET N N 90 118.378 118.378 119.110 -0.732 17614 310 1 1 . 1 1 78 78 MET C C 90 176.365 176.365 177.696 -1.331 17614 311 1 1 . 1 1 78 78 MET CA C 90 56.339 56.339 58.915 -2.576 17614 312 1 1 . 1 1 78 78 MET CB C 90 33.444 33.444 32.688 0.756 17614 313 1 1 . 1 1 78 78 MET H H 90 7.963 7.963 8.379 -0.416 17614 314 1 1 . 1 1 79 79 SER N N 91 115.089 115.089 113.748 1.341 17614 315 1 1 . 1 1 79 79 SER C C 91 175.899 175.899 176.581 -0.682 17614 316 1 1 . 1 1 79 79 SER CA C 91 58.621 58.621 60.981 -2.360 17614 317 1 1 . 1 1 79 79 SER CB C 91 64.337 64.337 63.263 1.074 17614 318 1 1 . 1 1 79 79 SER H H 91 7.868 7.868 7.705 0.163 17614 319 1 1 . 1 1 80 80 PHE N N 92 122.852 122.852 122.664 0.188 17614 320 1 1 . 1 1 80 80 PHE C C 92 177.375 177.375 176.520 0.855 17614 321 1 1 . 1 1 80 80 PHE CA C 92 59.095 59.095 60.967 -1.871 17614 322 1 1 . 1 1 80 80 PHE CB C 92 38.937 38.937 39.057 -0.120 17614 323 1 1 . 1 1 80 80 PHE H H 92 8.332 8.332 7.621 0.711 17614 324 1 1 . 1 1 81 81 ALA N N 93 123.258 123.258 119.930 3.328 17614 325 1 1 . 1 1 81 81 ALA C C 93 178.628 178.628 179.105 -0.477 17614 326 1 1 . 1 1 81 81 ALA CA C 93 54.881 54.881 54.261 0.620 17614 327 1 1 . 1 1 81 81 ALA CB C 93 17.902 17.902 18.095 -0.192 17614 328 1 1 . 1 1 81 81 ALA H H 93 8.223 8.223 7.769 0.454 17614 329 1 1 . 1 1 82 82 SER N N 94 112.886 112.886 115.145 -2.259 17614 330 1 1 . 1 1 82 82 SER C C 94 176.831 176.831 177.134 -0.303 17614 331 1 1 . 1 1 82 82 SER CA C 94 60.319 60.319 61.270 -0.951 17614 332 1 1 . 1 1 82 82 SER CB C 94 63.611 63.611 63.602 0.008 17614 333 1 1 . 1 1 82 82 SER H H 94 7.977 7.977 7.631 0.346 17614 334 1 1 . 1 1 83 83 VAL N N 95 121.854 121.854 122.175 -0.321 17614 335 1 1 . 1 1 83 83 VAL C C 95 176.220 176.220 175.714 0.506 17614 336 1 1 . 1 1 83 83 VAL CA C 95 64.629 64.629 64.200 0.429 17614 337 1 1 . 1 1 83 83 VAL CB C 95 31.328 31.328 31.840 -0.512 17614 338 1 1 . 1 1 83 83 VAL H H 95 7.581 7.581 8.080 -0.499 17614 339 1 1 . 1 1 84 84 ARG N N 96 121.329 121.329 117.319 4.010 17614 340 1 1 . 1 1 84 84 ARG C C 96 176.814 176.814 177.189 -0.375 17614 341 1 1 . 1 1 84 84 ARG CA C 96 58.636 58.636 57.783 0.853 17614 342 1 1 . 1 1 84 84 ARG CB C 96 30.672 30.672 29.406 1.266 17614 343 1 1 . 1 1 84 84 ARG H H 96 7.936 7.936 7.195 0.741 17614 344 1 1 . 1 1 85 85 ILE N N 97 119.194 119.194 117.879 1.315 17614 345 1 1 . 1 1 85 85 ILE C C 97 177.152 177.152 176.205 0.947 17614 346 1 1 . 1 1 85 85 ILE CA C 97 63.296 63.296 61.338 1.958 17614 347 1 1 . 1 1 85 85 ILE CB C 97 38.757 38.757 38.227 0.530 17614 348 1 1 . 1 1 85 85 ILE H H 97 7.802 7.802 7.378 0.424 17614 349 1 1 . 1 1 86 86 GLY N N 98 109.857 109.857 106.863 2.994 17614 350 1 1 . 1 1 86 86 GLY C C 98 176.064 176.064 174.794 1.270 17614 351 1 1 . 1 1 86 86 GLY CA C 98 46.941 46.941 45.740 1.201 17614 352 1 1 . 1 1 86 86 GLY H H 98 8.127 8.127 7.593 0.534 17614 353 1 1 . 1 1 87 87 LEU N N 99 123.258 123.258 123.199 0.059 17614 354 1 1 . 1 1 87 87 LEU C C 99 177.856 177.856 177.514 0.342 17614 355 1 1 . 1 1 87 87 LEU CA C 99 58.264 58.264 56.363 1.901 17614 356 1 1 . 1 1 87 87 LEU CB C 99 42.488 42.488 42.141 0.347 17614 357 1 1 . 1 1 87 87 LEU H H 99 8.223 8.223 8.640 -0.417 17614 358 1 1 . 1 1 88 88 TYR N N 100 119.770 119.770 120.002 -0.232 17614 359 1 1 . 1 1 88 88 TYR C C 100 176.997 176.997 176.707 0.290 17614 360 1 1 . 1 1 88 88 TYR CA C 100 61.592 61.592 62.016 -0.424 17614 361 1 1 . 1 1 88 88 TYR CB C 100 38.809 38.809 38.491 0.318 17614 362 1 1 . 1 1 88 88 TYR H H 100 8.207 8.207 7.958 0.249 17614 363 1 1 . 1 1 89 89 ASP N N 101 118.460 118.460 117.064 1.396 17614 364 1 1 . 1 1 89 89 ASP C C 101 178.939 178.939 178.539 0.400 17614 365 1 1 . 1 1 89 89 ASP CA C 101 57.797 57.797 56.879 0.918 17614 366 1 1 . 1 1 89 89 ASP CB C 101 40.498 40.498 39.807 0.691 17614 367 1 1 . 1 1 89 89 ASP H H 101 8.401 8.401 8.655 -0.254 17614 368 1 1 . 1 1 90 90 SER N N 102 116.022 116.022 116.889 -0.867 17614 369 1 1 . 1 1 90 90 SER C C 102 176.005 176.005 176.559 -0.554 17614 370 1 1 . 1 1 90 90 SER CA C 102 62.791 62.791 61.673 1.118 17614 371 1 1 . 1 1 90 90 SER CB C 102 64.211 64.211 62.972 1.239 17614 372 1 1 . 1 1 90 90 SER H H 102 7.854 7.854 7.889 -0.035 17614 373 1 1 . 1 1 91 91 VAL N N 103 120.844 120.844 120.959 -0.115 17614 374 1 1 . 1 1 91 91 VAL C C 103 177.307 177.307 177.399 -0.092 17614 375 1 1 . 1 1 91 91 VAL CA C 103 66.510 66.510 65.723 0.787 17614 376 1 1 . 1 1 91 91 VAL CB C 103 31.965 31.965 31.590 0.375 17614 377 1 1 . 1 1 91 91 VAL H H 103 7.926 7.926 7.463 0.463 17614 378 1 1 . 1 1 92 92 LYS N N 104 120.468 120.468 120.097 0.371 17614 379 1 1 . 1 1 92 92 LYS C C 104 178.861 178.861 178.603 0.258 17614 380 1 1 . 1 1 92 92 LYS CA C 104 60.184 60.184 59.501 0.683 17614 381 1 1 . 1 1 92 92 LYS CB C 104 31.979 31.979 32.095 -0.116 17614 382 1 1 . 1 1 92 92 LYS H H 104 8.127 8.127 7.558 0.569 17614 383 1 1 . 1 1 93 93 GLN N N 105 118.386 118.386 117.130 1.256 17614 384 1 1 . 1 1 93 93 GLN C C 105 177.540 177.540 178.074 -0.534 17614 385 1 1 . 1 1 93 93 GLN CA C 105 58.786 58.786 57.963 0.823 17614 386 1 1 . 1 1 93 93 GLN CB C 105 28.377 28.377 28.740 -0.363 17614 387 1 1 . 1 1 93 93 GLN H H 105 7.841 7.841 7.838 0.003 17614 388 1 1 . 1 1 94 94 PHE N N 106 119.471 119.471 118.176 1.295 17614 389 1 1 . 1 1 94 94 PHE C C 106 176.531 176.531 175.923 0.608 17614 390 1 1 . 1 1 94 94 PHE CA C 106 60.593 60.593 59.749 0.844 17614 391 1 1 . 1 1 94 94 PHE CB C 106 39.459 39.459 39.749 -0.290 17614 392 1 1 . 1 1 94 94 PHE H H 106 7.772 7.772 7.628 0.144 17614 393 1 1 . 1 1 95 95 TYR N N 107 118.288 118.288 117.897 0.391 17614 394 1 1 . 1 1 95 95 TYR C C 107 176.220 176.220 175.857 0.363 17614 395 1 1 . 1 1 95 95 TYR CA C 107 60.543 60.543 59.820 0.723 17614 396 1 1 . 1 1 95 95 TYR CB C 107 38.819 38.819 40.964 -2.145 17614 397 1 1 . 1 1 95 95 TYR H H 107 8.045 8.045 7.467 0.578 17614 398 1 1 . 1 1 96 96 THR N N 108 113.383 113.383 114.745 -1.362 17614 399 1 1 . 1 1 96 96 THR C C 108 175.288 175.288 173.738 1.550 17614 400 1 1 . 1 1 96 96 THR CA C 108 64.094 64.094 62.676 1.417 17614 401 1 1 . 1 1 96 96 THR CB C 108 69.986 69.986 69.037 0.949 17614 402 1 1 . 1 1 96 96 THR H H 108 7.868 7.868 7.625 0.243 17614 403 1 1 . 1 1 101 101 HIS C C 113 173.413 173.413 173.930 -0.517 17614 404 1 1 . 1 1 101 101 HIS H H 113 7.968 7.968 8.460 -0.492 17614 405 1 1 . 1 1 102 102 ALA N N 114 119.456 119.456 123.993 -4.537 17614 406 1 1 . 1 1 102 102 ALA C C 114 177.851 177.851 176.206 1.645 17614 407 1 1 . 1 1 102 102 ALA CA C 114 53.283 53.283 52.634 0.649 17614 408 1 1 . 1 1 102 102 ALA CB C 114 19.362 19.362 18.950 0.412 17614 409 1 1 . 1 1 102 102 ALA H H 114 8.433 8.433 8.167 0.266 17614 410 1 1 . 1 1 103 103 GLY N N 115 108.484 108.484 106.018 2.466 17614 411 1 1 . 1 1 103 103 GLY C C 115 174.822 174.822 175.057 -0.235 17614 412 1 1 . 1 1 103 103 GLY CA C 115 45.968 45.968 45.060 0.908 17614 413 1 1 . 1 1 103 103 GLY H H 115 8.250 8.250 8.077 0.173 17614 414 1 1 . 1 1 104 104 ILE N N 116 121.139 121.139 121.203 -0.064 17614 415 1 1 . 1 1 104 104 ILE C C 116 176.841 176.841 176.715 0.126 17614 416 1 1 . 1 1 104 104 ILE CA C 116 63.160 63.160 64.009 -0.849 17614 417 1 1 . 1 1 104 104 ILE CB C 116 38.853 38.853 38.028 0.826 17614 418 1 1 . 1 1 104 104 ILE H H 116 8.127 8.127 8.134 -0.007 17614 419 1 1 . 1 1 105 105 GLY N N 117 110.863 110.863 107.446 3.417 17614 420 1 1 . 1 1 105 105 GLY C C 117 174.588 174.588 175.722 -1.134 17614 421 1 1 . 1 1 105 105 GLY CA C 117 46.791 46.791 46.984 -0.193 17614 422 1 1 . 1 1 105 105 GLY H H 117 8.509 8.509 8.489 0.020 17614 423 1 1 . 1 1 106 106 SER N N 118 116.069 116.069 117.649 -1.580 17614 424 1 1 . 1 1 106 106 SER C C 118 175.754 175.754 176.846 -1.092 17614 425 1 1 . 1 1 106 106 SER CA C 118 60.319 60.319 61.206 -0.887 17614 426 1 1 . 1 1 106 106 SER CB C 118 63.864 63.864 62.795 1.069 17614 427 1 1 . 1 1 106 106 SER H H 118 7.991 7.991 8.056 -0.065 17614 428 1 1 . 1 1 107 107 ARG N N 119 122.134 122.134 122.396 -0.262 17614 429 1 1 . 1 1 107 107 ARG C C 119 178.228 178.228 178.843 -0.615 17614 430 1 1 . 1 1 107 107 ARG CA C 119 57.787 57.787 59.237 -1.450 17614 431 1 1 . 1 1 107 107 ARG CB C 119 30.549 30.549 29.664 0.885 17614 432 1 1 . 1 1 107 107 ARG H H 119 7.963 7.963 8.273 -0.310 17614 433 1 1 . 1 1 108 108 LEU N N 120 120.403 120.403 120.933 -0.530 17614 434 1 1 . 1 1 108 108 LEU C C 120 177.230 177.230 179.113 -1.883 17614 435 1 1 . 1 1 108 108 LEU CA C 120 57.967 57.967 58.168 -0.201 17614 436 1 1 . 1 1 108 108 LEU CB C 120 42.146 42.146 41.720 0.426 17614 437 1 1 . 1 1 108 108 LEU H H 120 7.914 7.914 7.663 0.251 17614 438 1 1 . 1 1 109 109 LEU N N 121 118.960 118.960 119.509 -0.549 17614 439 1 1 . 1 1 109 109 LEU C C 121 177.152 177.152 179.116 -1.964 17614 440 1 1 . 1 1 109 109 LEU CA C 121 55.495 55.495 58.079 -2.584 17614 441 1 1 . 1 1 109 109 LEU CB C 121 42.238 42.238 41.318 0.920 17614 442 1 1 . 1 1 109 109 LEU H H 121 7.718 7.718 8.264 -0.546 17614 443 1 1 . 1 1 110 110 ALA N N 122 123.063 123.063 121.410 1.653 17614 444 1 1 . 1 1 110 110 ALA C C 122 178.317 178.317 179.576 -1.259 17614 445 1 1 . 1 1 110 110 ALA CA C 122 53.358 53.358 55.304 -1.946 17614 446 1 1 . 1 1 110 110 ALA CB C 122 19.218 19.218 17.912 1.306 17614 447 1 1 . 1 1 110 110 ALA H H 122 7.745 7.745 8.811 -1.066 17614 448 1 1 . 1 1 111 111 GLY N N 123 107.843 107.843 106.603 1.240 17614 449 1 1 . 1 1 111 111 GLY C C 123 176.912 176.912 176.460 0.452 17614 450 1 1 . 1 1 111 111 GLY CA C 123 45.943 45.943 46.943 -1.000 17614 451 1 1 . 1 1 111 111 GLY H H 123 8.113 8.113 8.776 -0.663 17614 452 1 1 . 1 1 112 112 SER N N 124 116.105 116.105 118.143 -2.038 17614 453 1 1 . 1 1 112 112 SER C C 124 175.574 175.574 176.961 -1.387 17614 454 1 1 . 1 1 112 112 SER CA C 124 59.145 59.145 62.166 -3.022 17614 455 1 1 . 1 1 112 112 SER CB C 124 64.211 64.211 63.136 1.075 17614 456 1 1 . 1 1 112 112 SER H H 124 8.109 8.109 8.502 -0.393 17614 457 1 1 . 1 1 113 113 THR N N 125 116.069 116.069 118.126 -2.057 17614 458 1 1 . 1 1 113 113 THR C C 125 176.055 176.055 176.649 -0.594 17614 459 1 1 . 1 1 113 113 THR CA C 125 66.921 66.921 66.389 0.532 17614 460 1 1 . 1 1 113 113 THR CB C 125 69.682 69.682 68.602 1.080 17614 461 1 1 . 1 1 113 113 THR H H 125 8.086 8.086 8.215 -0.129 17614 462 1 1 . 1 1 114 114 THR N N 126 115.439 115.439 117.363 -1.924 17614 463 1 1 . 1 1 114 114 THR C C 126 177.443 177.443 176.608 0.835 17614 464 1 1 . 1 1 114 114 THR CA C 126 65.285 65.285 65.982 -0.697 17614 465 1 1 . 1 1 114 114 THR CB C 126 68.364 68.364 68.359 0.005 17614 466 1 1 . 1 1 114 114 THR H H 126 7.977 7.977 8.202 -0.225 17614 467 1 1 . 1 1 115 115 GLY N N 127 115.453 115.453 108.362 7.091 17614 468 1 1 . 1 1 115 115 GLY C C 127 174.215 174.215 175.041 -0.826 17614 469 1 1 . 1 1 115 115 GLY CA C 127 46.117 46.117 46.890 -0.773 17614 470 1 1 . 1 1 115 115 GLY H H 127 8.168 8.168 7.983 0.185 17614 471 1 1 . 1 1 116 116 ALA N N 128 123.952 123.952 124.294 -0.342 17614 472 1 1 . 1 1 116 116 ALA C C 128 178.162 178.162 179.176 -1.014 17614 473 1 1 . 1 1 116 116 ALA CA C 128 53.349 53.349 54.765 -1.416 17614 474 1 1 . 1 1 116 116 ALA CB C 128 19.099 19.099 18.493 0.606 17614 475 1 1 . 1 1 116 116 ALA H H 128 7.919 7.919 7.404 0.515 17614 476 1 1 . 1 1 117 117 LEU N N 129 120.025 120.025 119.220 0.805 17614 477 1 1 . 1 1 117 117 LEU C C 129 177.949 177.949 178.858 -0.909 17614 478 1 1 . 1 1 117 117 LEU CA C 129 56.019 56.019 57.033 -1.014 17614 479 1 1 . 1 1 117 117 LEU CB C 129 42.340 42.340 40.876 1.464 17614 480 1 1 . 1 1 117 117 LEU H H 129 7.936 7.936 7.579 0.357 17614 481 1 1 . 1 1 118 118 ALA N N 130 123.402 123.402 121.604 1.798 17614 482 1 1 . 1 1 118 118 ALA C C 130 177.929 177.929 179.564 -1.635 17614 483 1 1 . 1 1 118 118 ALA CA C 130 53.283 53.283 55.014 -1.731 17614 484 1 1 . 1 1 118 118 ALA CB C 130 18.964 18.964 18.555 0.409 17614 485 1 1 . 1 1 118 118 ALA H H 130 7.868 7.868 8.063 -0.195 17614 486 1 1 . 1 1 119 119 VAL N N 131 118.111 118.111 114.604 3.507 17614 487 1 1 . 1 1 119 119 VAL C C 131 176.025 176.025 177.438 -1.413 17614 488 1 1 . 1 1 119 119 VAL CA C 131 63.180 63.180 64.871 -1.691 17614 489 1 1 . 1 1 119 119 VAL CB C 131 32.898 32.898 31.252 1.646 17614 490 1 1 . 1 1 119 119 VAL H H 131 7.636 7.636 7.906 -0.270 17614 491 1 1 . 1 1 120 120 ALA N N 132 124.047 124.047 122.470 1.577 17614 492 1 1 . 1 1 120 120 ALA C C 132 179.008 179.008 178.633 0.375 17614 493 1 1 . 1 1 120 120 ALA CA C 132 53.707 53.707 54.870 -1.163 17614 494 1 1 . 1 1 120 120 ALA CB C 132 19.150 19.150 18.795 0.355 17614 495 1 1 . 1 1 120 120 ALA H H 132 7.911 7.911 7.624 0.287 17614 496 1 1 . 1 1 121 121 VAL N N 133 113.349 113.349 118.058 -4.709 17614 497 1 1 . 1 1 121 121 VAL C C 133 175.527 175.527 176.399 -0.872 17614 498 1 1 . 1 1 121 121 VAL CA C 133 64.115 64.115 64.105 0.010 17614 499 1 1 . 1 1 121 121 VAL CB C 133 31.832 31.832 32.533 -0.701 17614 500 1 1 . 1 1 121 121 VAL H H 133 7.094 7.094 7.417 -0.323 17614 501 1 1 . 1 1 122 122 ALA N N 134 123.224 123.224 119.570 3.654 17614 502 1 1 . 1 1 122 122 ALA CA C 134 55.493 55.493 51.578 3.916 17614 503 1 1 . 1 1 122 122 ALA H H 134 7.586 7.586 7.532 0.054 17614 504 1 1 . 1 1 124 124 PRO C C 136 177.074 177.074 178.464 -1.390 17614 505 1 1 . 1 1 125 125 THR N N 137 113.281 113.281 112.620 0.661 17614 506 1 1 . 1 1 125 125 THR C C 137 174.485 174.485 176.283 -1.798 17614 507 1 1 . 1 1 125 125 THR CA C 137 64.496 64.496 67.479 -2.983 17614 508 1 1 . 1 1 125 125 THR CB C 137 69.997 69.997 68.189 1.808 17614 509 1 1 . 1 1 125 125 THR H H 137 7.963 7.963 8.276 -0.313 17614 510 1 1 . 1 1 126 126 ASP N N 138 122.770 122.770 121.803 0.967 17614 511 1 1 . 1 1 126 126 ASP C C 138 178.458 178.458 178.523 -0.065 17614 512 1 1 . 1 1 126 126 ASP CA C 138 56.776 56.776 57.389 -0.613 17614 513 1 1 . 1 1 126 126 ASP CB C 138 41.023 41.023 40.407 0.616 17614 514 1 1 . 1 1 126 126 ASP H H 138 8.094 8.094 7.631 0.463 17614 515 1 1 . 1 1 127 127 VAL N N 139 119.931 119.931 120.345 -0.414 17614 516 1 1 . 1 1 127 127 VAL C C 139 177.502 177.502 177.907 -0.405 17614 517 1 1 . 1 1 127 127 VAL CA C 139 66.455 66.455 65.415 1.040 17614 518 1 1 . 1 1 127 127 VAL CB C 139 32.804 32.804 31.838 0.966 17614 519 1 1 . 1 1 127 127 VAL H H 139 7.753 7.753 7.765 -0.012 17614 520 1 1 . 1 1 128 128 VAL N N 140 120.539 120.539 117.301 3.238 17614 521 1 1 . 1 1 128 128 VAL C C 140 176.232 176.232 178.097 -1.865 17614 522 1 1 . 1 1 128 128 VAL CA C 140 66.770 66.770 66.810 -0.040 17614 523 1 1 . 1 1 128 128 VAL CB C 140 32.086 32.086 30.726 1.360 17614 524 1 1 . 1 1 128 128 VAL H H 140 8.295 8.295 7.880 0.415 17614 525 1 1 . 1 1 129 129 LYS N N 141 120.122 120.122 120.679 -0.557 17614 526 1 1 . 1 1 129 129 LYS C C 141 176.120 176.120 179.236 -3.116 17614 527 1 1 . 1 1 129 129 LYS CA C 141 55.991 55.991 59.537 -3.546 17614 528 1 1 . 1 1 129 129 LYS CB C 141 31.712 31.712 31.845 -0.133 17614 529 1 1 . 1 1 129 129 LYS H H 141 7.698 7.698 7.699 -0.001 17614 530 1 1 . 1 1 130 130 VAL N N 142 120.104 120.104 119.463 0.641 17614 531 1 1 . 1 1 130 130 VAL CA C 142 63.230 63.230 65.647 -2.417 17614 532 1 1 . 1 1 130 130 VAL H H 142 7.772 7.772 7.504 0.268 17614 533 1 1 . 1 1 131 131 ARG C C 143 178.401 178.401 178.795 -0.394 17614 534 1 1 . 1 1 131 131 ARG H H 143 7.999 7.999 7.567 0.432 17614 535 1 1 . 1 1 132 132 PHE N N 144 120.445 120.445 120.426 0.019 17614 536 1 1 . 1 1 132 132 PHE C C 144 177.856 177.856 176.247 1.609 17614 537 1 1 . 1 1 132 132 PHE CA C 144 61.438 61.438 60.860 0.578 17614 538 1 1 . 1 1 132 132 PHE H H 144 8.395 8.395 8.618 -0.223 17614 539 1 1 . 1 1 133 133 GLN N N 145 124.180 124.180 116.731 7.449 17614 540 1 1 . 1 1 133 133 GLN C C 145 174.844 174.844 177.531 -2.687 17614 541 1 1 . 1 1 133 133 GLN CA C 145 56.414 56.414 57.767 -1.353 17614 542 1 1 . 1 1 133 133 GLN CB C 145 30.721 30.721 29.026 1.695 17614 543 1 1 . 1 1 133 133 GLN H H 145 8.094 8.094 7.875 0.219 17614 544 1 1 . 1 1 134 134 ALA N N 146 120.452 120.452 120.210 0.242 17614 545 1 1 . 1 1 134 134 ALA C C 146 177.929 177.929 177.751 0.178 17614 546 1 1 . 1 1 134 134 ALA CA C 146 53.483 53.483 53.300 0.183 17614 547 1 1 . 1 1 134 134 ALA CB C 146 18.431 18.431 19.054 -0.623 17614 548 1 1 . 1 1 134 134 ALA H H 146 7.939 7.939 7.399 0.540 17614 549 1 1 . 1 1 135 135 GLN N N 147 119.388 119.388 119.251 0.137 17614 550 1 1 . 1 1 135 135 GLN C C 147 176.029 176.029 174.738 1.291 17614 551 1 1 . 1 1 135 135 GLN CA C 147 56.339 56.339 55.982 0.357 17614 552 1 1 . 1 1 135 135 GLN CB C 147 29.444 29.444 27.812 1.632 17614 553 1 1 . 1 1 135 135 GLN H H 147 8.072 8.072 7.562 0.510 17614 554 1 1 . 1 1 136 136 ALA N N 148 125.199 125.199 127.679 -2.480 17614 555 1 1 . 1 1 136 136 ALA C C 148 177.766 177.766 176.866 0.900 17614 556 1 1 . 1 1 136 136 ALA CA C 148 53.108 53.108 51.255 1.853 17614 557 1 1 . 1 1 136 136 ALA CB C 148 19.151 19.151 20.146 -0.995 17614 558 1 1 . 1 1 136 136 ALA H H 148 8.055 8.055 7.825 0.230 17614 559 1 1 . 1 1 137 137 ARG N N 149 120.208 120.208 118.782 1.426 17614 560 1 1 . 1 1 137 137 ARG CA C 149 56.414 56.414 56.133 0.281 17614 561 1 1 . 1 1 137 137 ARG CB C 149 30.749 30.749 28.658 2.091 17614 562 1 1 . 1 1 137 137 ARG H H 149 8.018 8.018 8.580 -0.562 17614 563 1 1 . 1 1 147 147 THR C C 159 175.928 175.928 176.574 -0.646 17614 564 1 1 . 1 1 148 148 VAL N N 160 118.321 118.321 120.217 -1.896 17614 565 1 1 . 1 1 148 148 VAL C C 160 177.749 177.749 177.287 0.462 17614 566 1 1 . 1 1 148 148 VAL CA C 160 64.126 64.126 65.475 -1.349 17614 567 1 1 . 1 1 148 148 VAL CB C 160 31.343 31.343 31.783 -0.440 17614 568 1 1 . 1 1 148 148 VAL H H 160 8.073 8.073 7.974 0.099 17614 569 1 1 . 1 1 149 149 GLU N N 161 122.379 122.379 118.912 3.467 17614 570 1 1 . 1 1 149 149 GLU C C 161 178.783 178.783 178.825 -0.042 17614 571 1 1 . 1 1 149 149 GLU CA C 161 59.550 59.550 59.109 0.441 17614 572 1 1 . 1 1 149 149 GLU CB C 161 29.597 29.597 29.403 0.194 17614 573 1 1 . 1 1 149 149 GLU H H 161 8.204 8.204 7.687 0.517 17614 574 1 1 . 1 1 150 150 ALA N N 162 122.845 122.845 123.141 -0.296 17614 575 1 1 . 1 1 150 150 ALA C C 162 179.948 179.948 179.303 0.645 17614 576 1 1 . 1 1 150 150 ALA CA C 162 55.181 55.181 55.028 0.153 17614 577 1 1 . 1 1 150 150 ALA CB C 162 18.154 18.154 18.770 -0.616 17614 578 1 1 . 1 1 150 150 ALA H H 162 7.786 7.786 8.571 -0.785 17614 579 1 1 . 1 1 151 151 TYR N N 163 118.902 118.902 119.877 -0.975 17614 580 1 1 . 1 1 151 151 TYR C C 163 177.273 177.273 177.536 -0.263 17614 581 1 1 . 1 1 151 151 TYR CA C 163 61.068 61.068 61.475 -0.407 17614 582 1 1 . 1 1 151 151 TYR CB C 163 37.898 37.898 38.709 -0.812 17614 583 1 1 . 1 1 151 151 TYR H H 163 7.922 7.922 7.933 -0.011 17614 584 1 1 . 1 1 152 152 LYS N N 164 119.939 119.939 118.528 1.411 17614 585 1 1 . 1 1 152 152 LYS C C 164 178.239 178.239 178.897 -0.658 17614 586 1 1 . 1 1 152 152 LYS CA C 164 60.309 60.309 59.586 0.723 17614 587 1 1 . 1 1 152 152 LYS CB C 164 32.504 32.504 32.717 -0.212 17614 588 1 1 . 1 1 152 152 LYS H H 164 8.223 8.223 7.727 0.496 17614 589 1 1 . 1 1 153 153 THR N N 165 115.262 115.262 113.068 2.194 17614 590 1 1 . 1 1 153 153 THR C C 165 175.676 175.676 176.810 -1.134 17614 591 1 1 . 1 1 153 153 THR CA C 165 66.516 66.516 65.683 0.832 17614 592 1 1 . 1 1 153 153 THR CB C 165 69.367 69.367 68.353 1.014 17614 593 1 1 . 1 1 153 153 THR H H 165 7.745 7.745 7.725 0.020 17614 594 1 1 . 1 1 154 154 ILE N N 166 121.571 121.571 118.671 2.900 17614 595 1 1 . 1 1 154 154 ILE C C 166 177.307 177.307 177.222 0.085 17614 596 1 1 . 1 1 154 154 ILE CA C 166 64.634 64.634 62.421 2.213 17614 597 1 1 . 1 1 154 154 ILE CB C 166 38.896 38.896 35.586 3.310 17614 598 1 1 . 1 1 154 154 ILE H H 166 7.540 7.540 7.443 0.097 17614 599 1 1 . 1 1 155 155 ALA N N 167 121.983 121.983 123.337 -1.354 17614 600 1 1 . 1 1 155 155 ALA C C 167 178.395 178.395 180.059 -1.664 17614 601 1 1 . 1 1 155 155 ALA CA C 167 54.656 54.656 54.778 -0.122 17614 602 1 1 . 1 1 155 155 ALA CB C 167 18.486 18.486 18.015 0.471 17614 603 1 1 . 1 1 155 155 ALA H H 167 8.059 8.059 7.843 0.216 17614 604 1 1 . 1 1 156 156 ARG N N 168 116.369 116.369 118.925 -2.556 17614 605 1 1 . 1 1 156 156 ARG C C 168 177.307 177.307 178.324 -1.017 17614 606 1 1 . 1 1 156 156 ARG CA C 168 58.486 58.486 58.684 -0.198 17614 607 1 1 . 1 1 156 156 ARG CB C 168 30.930 30.930 30.049 0.881 17614 608 1 1 . 1 1 156 156 ARG H H 168 7.690 7.690 7.542 0.148 17614 609 1 1 . 1 1 157 157 GLU N N 169 118.667 118.667 117.685 0.982 17614 610 1 1 . 1 1 157 157 GLU C C 169 177.696 177.696 178.169 -0.473 17614 611 1 1 . 1 1 157 157 GLU CA C 169 58.212 58.212 58.393 -0.181 17614 612 1 1 . 1 1 157 157 GLU CB C 169 30.357 30.357 30.023 0.334 17614 613 1 1 . 1 1 157 157 GLU H H 169 8.045 8.045 7.733 0.312 17614 614 1 1 . 1 1 158 158 GLU N N 170 118.202 118.202 118.298 -0.096 17614 615 1 1 . 1 1 158 158 GLU C C 170 177.878 177.878 176.959 0.919 17614 616 1 1 . 1 1 158 158 GLU CA C 170 57.363 57.363 57.015 0.348 17614 617 1 1 . 1 1 158 158 GLU CB C 170 31.277 31.277 31.368 -0.091 17614 618 1 1 . 1 1 158 158 GLU H H 170 8.550 8.550 8.365 0.185 17614 619 1 1 . 1 1 159 159 GLY N N 171 108.941 108.941 107.006 1.935 17614 620 1 1 . 1 1 159 159 GLY C C 171 174.433 174.433 174.903 -0.470 17614 621 1 1 . 1 1 159 159 GLY CA C 171 45.193 45.193 44.531 0.663 17614 622 1 1 . 1 1 159 159 GLY H H 171 7.881 7.881 7.628 0.253 17614 623 1 1 . 1 1 160 160 ILE N N 172 120.842 120.842 116.554 4.288 17614 624 1 1 . 1 1 160 160 ILE C C 172 176.997 176.997 177.248 -0.251 17614 625 1 1 . 1 1 160 160 ILE CA C 172 63.810 63.810 63.485 0.325 17614 626 1 1 . 1 1 160 160 ILE CB C 172 38.516 38.516 37.795 0.721 17614 627 1 1 . 1 1 160 160 ILE H H 172 8.550 8.550 8.218 0.332 17614 628 1 1 . 1 1 161 161 ARG N N 173 119.480 119.480 121.307 -1.827 17614 629 1 1 . 1 1 161 161 ARG C C 173 178.084 178.084 178.572 -0.488 17614 630 1 1 . 1 1 161 161 ARG CA C 173 58.711 58.711 58.713 -0.002 17614 631 1 1 . 1 1 161 161 ARG CB C 173 29.796 29.796 29.292 0.504 17614 632 1 1 . 1 1 161 161 ARG H H 173 8.277 8.277 8.317 -0.040 17614 633 1 1 . 1 1 162 162 GLY N N 174 106.379 106.379 107.028 -0.649 17614 634 1 1 . 1 1 162 162 GLY C C 174 175.210 175.210 176.482 -1.272 17614 635 1 1 . 1 1 162 162 GLY CA C 174 46.767 46.767 46.776 -0.009 17614 636 1 1 . 1 1 162 162 GLY H H 174 7.690 7.690 8.199 -0.509 17614 637 1 1 . 1 1 163 163 LEU N N 175 120.664 120.664 121.667 -1.003 17614 638 1 1 . 1 1 163 163 LEU C C 175 177.971 177.971 178.537 -0.566 17614 639 1 1 . 1 1 163 163 LEU CA C 175 57.104 57.104 57.331 -0.227 17614 640 1 1 . 1 1 163 163 LEU CB C 175 42.559 42.559 42.286 0.273 17614 641 1 1 . 1 1 163 163 LEU H H 175 7.554 7.554 7.326 0.228 17614 642 1 1 . 1 1 164 164 TRP N N 176 117.031 117.031 117.843 -0.812 17614 643 1 1 . 1 1 164 164 TRP C C 176 176.987 176.987 177.914 -0.927 17614 644 1 1 . 1 1 164 164 TRP CA C 176 57.672 57.672 58.022 -0.350 17614 645 1 1 . 1 1 164 164 TRP CB C 176 29.796 29.796 28.262 1.534 17614 646 1 1 . 1 1 164 164 TRP H H 176 7.499 7.499 7.857 -0.358 17614 647 1 1 . 1 1 165 165 LYS N N 177 120.567 120.567 120.276 0.291 17614 648 1 1 . 1 1 165 165 LYS C C 177 177.152 177.152 178.147 -0.995 17614 649 1 1 . 1 1 165 165 LYS CA C 177 57.712 57.712 59.507 -1.795 17614 650 1 1 . 1 1 165 165 LYS CB C 177 32.890 32.890 32.002 0.888 17614 651 1 1 . 1 1 165 165 LYS H H 177 7.595 7.595 7.465 0.130 17614 652 1 1 . 1 1 166 166 GLY N N 178 108.667 108.667 104.290 4.377 17614 653 1 1 . 1 1 166 166 GLY C C 178 174.045 174.045 175.534 -1.489 17614 654 1 1 . 1 1 166 166 GLY CA C 178 45.893 45.893 45.662 0.231 17614 655 1 1 . 1 1 166 166 GLY H H 178 7.881 7.881 8.164 -0.283 17614 656 1 1 . 1 1 167 167 THR N N 179 115.080 115.080 118.208 -3.128 17614 657 1 1 . 1 1 167 167 THR C C 179 175.192 175.192 176.123 -0.931 17614 658 1 1 . 1 1 167 167 THR CA C 179 66.521 66.521 66.633 -0.112 17614 659 1 1 . 1 1 167 167 THR CB C 179 70.079 70.079 68.454 1.625 17614 660 1 1 . 1 1 167 167 THR H H 179 7.622 7.622 7.843 -0.221 17614 661 1 1 . 1 1 168 168 SER N N 180 117.754 117.754 115.441 2.313 17614 662 1 1 . 1 1 168 168 SER CA C 180 63.123 63.123 62.943 0.180 17614 663 1 1 . 1 1 168 168 SER CB C 180 62.045 62.045 61.374 0.671 17614 664 1 1 . 1 1 168 168 SER H H 180 8.195 8.195 7.841 0.354 17614 665 1 1 . 1 1 170 170 ASN C C 182 177.348 177.348 177.924 -0.576 17614 666 1 1 . 1 1 171 171 VAL N N 183 118.118 118.118 120.456 -2.338 17614 667 1 1 . 1 1 171 171 VAL C C 183 176.944 176.944 177.940 -0.996 17614 668 1 1 . 1 1 171 171 VAL CA C 183 65.244 65.244 66.264 -1.020 17614 669 1 1 . 1 1 171 171 VAL CB C 183 32.508 32.508 30.999 1.509 17614 670 1 1 . 1 1 171 171 VAL H H 183 7.861 7.861 7.540 0.321 17614 671 1 1 . 1 1 172 172 ALA N N 184 122.284 122.284 122.036 0.248 17614 672 1 1 . 1 1 172 172 ALA C C 184 178.317 178.317 179.492 -1.175 17614 673 1 1 . 1 1 172 172 ALA CA C 184 55.339 55.339 55.261 0.078 17614 674 1 1 . 1 1 172 172 ALA CB C 184 28.230 28.230 18.159 10.071 17614 675 1 1 . 1 1 172 172 ALA H H 184 8.097 8.097 7.531 0.566 17614 676 1 1 . 1 1 173 173 ARG N N 185 117.321 117.321 118.799 -1.478 17614 677 1 1 . 1 1 173 173 ARG C C 185 177.527 177.527 178.512 -0.985 17614 678 1 1 . 1 1 173 173 ARG CA C 185 59.543 59.543 58.630 0.912 17614 679 1 1 . 1 1 173 173 ARG CB C 185 29.767 29.767 29.687 0.080 17614 680 1 1 . 1 1 173 173 ARG H H 185 7.611 7.611 8.273 -0.662 17614 681 1 1 . 1 1 174 174 ASN N N 186 117.294 117.294 117.921 -0.627 17614 682 1 1 . 1 1 174 174 ASN C C 186 176.599 176.599 177.551 -0.952 17614 683 1 1 . 1 1 174 174 ASN CA C 186 56.659 56.659 56.136 0.523 17614 684 1 1 . 1 1 174 174 ASN CB C 186 39.454 39.454 38.244 1.210 17614 685 1 1 . 1 1 174 174 ASN H H 186 8.048 8.048 7.817 0.231 17614 686 1 1 . 1 1 175 175 ALA N N 187 121.003 121.003 123.053 -2.050 17614 687 1 1 . 1 1 175 175 ALA C C 187 178.713 178.713 179.530 -0.817 17614 688 1 1 . 1 1 175 175 ALA CA C 187 55.520 55.520 54.887 0.633 17614 689 1 1 . 1 1 175 175 ALA CB C 187 18.097 18.097 18.510 -0.413 17614 690 1 1 . 1 1 175 175 ALA H H 187 7.322 7.322 7.645 -0.323 17614 691 1 1 . 1 1 176 176 ILE N N 188 119.319 119.319 119.456 -0.137 17614 692 1 1 . 1 1 176 176 ILE C C 188 176.634 176.634 177.323 -0.689 17614 693 1 1 . 1 1 176 176 ILE CA C 188 64.225 64.225 63.506 0.719 17614 694 1 1 . 1 1 176 176 ILE CB C 188 37.658 37.658 38.010 -0.352 17614 695 1 1 . 1 1 176 176 ILE H H 188 7.779 7.779 7.696 0.083 17614 696 1 1 . 1 1 177 177 VAL N N 189 117.265 117.265 118.056 -0.791 17614 697 1 1 . 1 1 177 177 VAL C C 189 177.529 177.529 177.795 -0.266 17614 698 1 1 . 1 1 177 177 VAL CA C 189 65.562 65.562 67.263 -1.701 17614 699 1 1 . 1 1 177 177 VAL CB C 189 31.407 31.407 31.051 0.356 17614 700 1 1 . 1 1 177 177 VAL H H 189 7.776 7.776 7.676 0.100 17614 701 1 1 . 1 1 178 178 ASN N N 190 118.736 118.736 118.525 0.211 17614 702 1 1 . 1 1 178 178 ASN C C 190 176.476 176.476 177.340 -0.864 17614 703 1 1 . 1 1 178 178 ASN CA C 190 56.813 56.813 56.631 0.182 17614 704 1 1 . 1 1 178 178 ASN CB C 190 38.268 38.268 38.477 -0.209 17614 705 1 1 . 1 1 178 178 ASN H H 190 7.800 7.800 7.863 -0.063 17614 706 1 1 . 1 1 179 179 CYS N N 191 120.152 120.152 119.352 0.800 17614 707 1 1 . 1 1 179 179 CYS C C 191 175.831 175.831 176.542 -0.711 17614 708 1 1 . 1 1 179 179 CYS CA C 191 60.293 60.293 63.308 -3.015 17614 709 1 1 . 1 1 179 179 CYS CB C 191 41.566 41.566 26.806 14.760 17614 710 1 1 . 1 1 179 179 CYS H H 191 7.784 7.784 8.229 -0.445 17614 711 1 1 . 1 1 180 180 ALA N N 192 121.963 121.963 122.386 -0.423 17614 712 1 1 . 1 1 180 180 ALA C C 192 178.395 178.395 179.114 -0.719 17614 713 1 1 . 1 1 180 180 ALA CA C 192 55.280 55.280 55.301 -0.021 17614 714 1 1 . 1 1 180 180 ALA CB C 192 18.008 18.008 18.089 -0.081 17614 715 1 1 . 1 1 180 180 ALA H H 192 8.141 8.141 8.684 -0.543 17614 716 1 1 . 1 1 181 181 GLU N N 193 114.548 114.548 119.703 -5.155 17614 717 1 1 . 1 1 181 181 GLU C C 193 176.764 176.764 178.627 -1.863 17614 718 1 1 . 1 1 181 181 GLU CA C 193 58.262 58.262 59.004 -0.742 17614 719 1 1 . 1 1 181 181 GLU CB C 193 29.342 29.342 29.475 -0.133 17614 720 1 1 . 1 1 181 181 GLU H H 193 7.595 7.595 8.397 -0.802 17614 721 1 1 . 1 1 182 182 LEU N N 194 117.659 117.659 120.990 -3.331 17614 722 1 1 . 1 1 182 182 LEU C C 194 176.904 176.904 178.892 -1.988 17614 723 1 1 . 1 1 182 182 LEU CA C 194 55.695 55.695 58.129 -2.434 17614 724 1 1 . 1 1 182 182 LEU CB C 194 41.655 41.655 42.062 -0.407 17614 725 1 1 . 1 1 182 182 LEU H H 194 7.459 7.459 8.276 -0.817 17614 726 1 1 . 1 1 183 183 VAL N N 195 117.842 117.842 118.377 -0.535 17614 727 1 1 . 1 1 183 183 VAL C C 195 177.150 177.150 177.600 -0.450 17614 728 1 1 . 1 1 183 183 VAL CA C 195 64.054 64.054 66.056 -2.002 17614 729 1 1 . 1 1 183 183 VAL CB C 195 31.079 31.079 31.786 -0.707 17614 730 1 1 . 1 1 183 183 VAL H H 195 7.363 7.363 7.439 -0.076 17614 731 1 1 . 1 1 184 184 THR N N 196 122.439 122.439 116.556 5.883 17614 732 1 1 . 1 1 184 184 THR C C 196 175.055 175.055 176.710 -1.655 17614 733 1 1 . 1 1 184 184 THR CA C 196 65.500 65.500 67.008 -1.508 17614 734 1 1 . 1 1 184 184 THR CB C 196 69.490 69.490 68.891 0.599 17614 735 1 1 . 1 1 184 184 THR H H 196 7.940 7.940 7.916 0.024 17614 736 1 1 . 1 1 185 185 TYR N N 197 122.430 122.430 122.233 0.197 17614 737 1 1 . 1 1 185 185 TYR C C 197 177.152 177.152 177.075 0.077 17614 738 1 1 . 1 1 185 185 TYR CA C 197 61.892 61.892 61.478 0.414 17614 739 1 1 . 1 1 185 185 TYR CB C 197 38.085 38.085 38.410 -0.325 17614 740 1 1 . 1 1 185 185 TYR H H 197 9.123 9.123 8.912 0.211 17614 741 1 1 . 1 1 186 186 ASP N N 198 117.750 117.750 118.715 -0.965 17614 742 1 1 . 1 1 186 186 ASP C C 198 177.696 177.696 178.189 -0.493 17614 743 1 1 . 1 1 186 186 ASP CA C 198 57.822 57.822 57.300 0.522 17614 744 1 1 . 1 1 186 186 ASP CB C 198 40.500 40.500 40.790 -0.290 17614 745 1 1 . 1 1 186 186 ASP H H 198 8.263 8.263 7.838 0.425 17614 746 1 1 . 1 1 187 187 LEU N N 199 120.698 120.698 117.425 3.273 17614 747 1 1 . 1 1 187 187 LEU C C 199 180.104 180.104 178.977 1.127 17614 748 1 1 . 1 1 187 187 LEU CA C 199 58.092 58.092 57.428 0.664 17614 749 1 1 . 1 1 187 187 LEU CB C 199 42.559 42.559 41.774 0.785 17614 750 1 1 . 1 1 187 187 LEU H H 199 7.636 7.636 7.469 0.167 17614 751 1 1 . 1 1 188 188 ILE N N 200 121.136 121.136 114.778 6.358 17614 752 1 1 . 1 1 188 188 ILE C C 200 176.919 176.919 178.122 -1.203 17614 753 1 1 . 1 1 188 188 ILE CA C 200 65.482 65.482 63.681 1.801 17614 754 1 1 . 1 1 188 188 ILE CB C 200 37.949 37.949 37.404 0.545 17614 755 1 1 . 1 1 188 188 ILE H H 200 7.718 7.718 7.123 0.595 17614 756 1 1 . 1 1 189 189 LYS N N 201 120.587 120.587 119.503 1.084 17614 757 1 1 . 1 1 189 189 LYS C C 201 177.696 177.696 178.291 -0.595 17614 758 1 1 . 1 1 189 189 LYS CA C 201 60.683 60.683 59.577 1.106 17614 759 1 1 . 1 1 189 189 LYS CB C 201 31.809 31.809 32.066 -0.257 17614 760 1 1 . 1 1 189 189 LYS H H 201 8.291 8.291 7.200 1.091 17614 761 1 1 . 1 1 190 190 ASP N N 202 117.936 117.936 115.192 2.744 17614 762 1 1 . 1 1 190 190 ASP C C 202 178.395 178.395 176.472 1.923 17614 763 1 1 . 1 1 190 190 ASP CA C 202 57.672 57.672 56.005 1.667 17614 764 1 1 . 1 1 190 190 ASP CB C 202 41.355 41.355 40.846 0.509 17614 765 1 1 . 1 1 190 190 ASP H H 202 8.182 8.182 8.011 0.171 17614 766 1 1 . 1 1 191 191 THR N N 203 115.914 115.914 112.036 3.878 17614 767 1 1 . 1 1 191 191 THR CA C 203 61.190 61.190 61.450 -0.260 17614 768 1 1 . 1 1 191 191 THR CB C 203 68.738 68.738 69.652 -0.914 17614 769 1 1 . 1 1 191 191 THR H H 203 7.690 7.690 7.459 0.231 17614 770 1 1 . 1 1 192 192 LEU C C 204 176.047 176.047 174.935 1.112 17614 771 1 1 . 1 1 192 192 LEU H H 204 8.051 8.051 8.820 -0.769 17614 772 1 1 . 1 1 193 193 LEU N N 205 118.768 118.768 118.216 0.552 17614 773 1 1 . 1 1 193 193 LEU C C 205 179.871 179.871 176.361 3.510 17614 774 1 1 . 1 1 193 193 LEU CA C 205 55.867 55.867 54.523 1.343 17614 775 1 1 . 1 1 193 193 LEU CB C 205 41.887 41.887 41.313 0.574 17614 776 1 1 . 1 1 193 193 LEU H H 205 7.977 7.977 7.754 0.223 17614 777 1 1 . 1 1 194 194 LYS N N 206 119.775 119.775 118.777 0.998 17614 778 1 1 . 1 1 194 194 LYS C C 206 177.318 177.318 176.846 0.472 17614 779 1 1 . 1 1 194 194 LYS CA C 206 58.461 58.461 57.337 1.124 17614 780 1 1 . 1 1 194 194 LYS CB C 206 32.734 32.734 32.115 0.619 17614 781 1 1 . 1 1 194 194 LYS H H 206 7.677 7.677 7.913 -0.236 17614 782 1 1 . 1 1 195 195 ALA N N 207 120.757 120.757 121.121 -0.364 17614 783 1 1 . 1 1 195 195 ALA C C 207 176.531 176.531 175.928 0.603 17614 784 1 1 . 1 1 195 195 ALA CA C 207 53.083 53.083 51.596 1.487 17614 785 1 1 . 1 1 195 195 ALA CB C 207 18.960 18.960 18.059 0.901 17614 786 1 1 . 1 1 195 195 ALA H H 207 7.565 7.565 7.853 -0.288 17614 787 1 1 . 1 1 196 196 ASN N N 208 115.463 115.463 115.161 0.302 17614 788 1 1 . 1 1 196 196 ASN C C 208 174.822 174.822 175.224 -0.402 17614 789 1 1 . 1 1 196 196 ASN CA C 208 54.351 54.351 53.702 0.649 17614 790 1 1 . 1 1 196 196 ASN CB C 208 38.160 38.160 37.184 0.976 17614 791 1 1 . 1 1 196 196 ASN H H 208 7.936 7.936 7.860 0.076 17614 792 1 1 . 1 1 200 200 ASP C C 212 174.735 174.735 176.180 -1.445 17614 793 1 1 . 1 1 201 201 ASP N N 213 116.363 116.363 121.575 -5.212 17614 794 1 1 . 1 1 201 201 ASP C C 213 175.553 175.553 176.344 -0.791 17614 795 1 1 . 1 1 201 201 ASP CA C 213 54.890 54.890 53.865 1.025 17614 796 1 1 . 1 1 201 201 ASP CB C 213 38.846 38.846 39.369 -0.523 17614 797 1 1 . 1 1 201 201 ASP H H 213 8.129 8.129 8.261 -0.132 17614 798 1 1 . 1 1 202 202 LEU N N 214 119.486 119.486 122.179 -2.693 17614 799 1 1 . 1 1 202 202 LEU CA C 214 59.766 59.766 59.356 0.410 17614 800 1 1 . 1 1 202 202 LEU CB C 214 39.579 39.579 39.583 -0.004 17614 801 1 1 . 1 1 202 202 LEU H H 214 7.821 7.821 7.847 -0.026 17614 802 1 1 . 1 1 203 203 PRO C C 215 177.971 177.971 178.541 -0.570 17614 803 1 1 . 1 1 203 203 PRO CA C 215 65.938 65.938 65.833 0.105 17614 804 1 1 . 1 1 203 203 PRO CB C 215 30.006 30.006 30.846 -0.840 17614 805 1 1 . 1 1 204 204 CYS N N 216 114.211 114.211 115.196 -0.985 17614 806 1 1 . 1 1 204 204 CYS C C 216 176.142 176.142 176.408 -0.266 17614 807 1 1 . 1 1 204 204 CYS CA C 216 58.773 58.773 61.962 -3.189 17614 808 1 1 . 1 1 204 204 CYS CB C 216 40.906 40.906 26.816 14.090 17614 809 1 1 . 1 1 204 204 CYS H H 216 8.269 8.269 7.880 0.389 17614 810 1 1 . 1 1 205 205 HIS N N 217 120.491 120.491 120.335 0.156 17614 811 1 1 . 1 1 205 205 HIS C C 217 176.747 176.747 177.165 -0.418 17614 812 1 1 . 1 1 205 205 HIS CA C 217 57.198 57.198 58.830 -1.632 17614 813 1 1 . 1 1 205 205 HIS CB C 217 29.886 29.886 28.840 1.046 17614 814 1 1 . 1 1 205 205 HIS H H 217 7.301 7.301 7.279 0.022 17614 815 1 1 . 1 1 206 206 PHE N N 218 120.501 120.501 119.921 0.580 17614 816 1 1 . 1 1 206 206 PHE C C 218 176.187 176.187 177.884 -1.697 17614 817 1 1 . 1 1 206 206 PHE CA C 218 59.045 59.045 61.877 -2.832 17614 818 1 1 . 1 1 206 206 PHE CB C 218 38.901 38.901 38.219 0.682 17614 819 1 1 . 1 1 206 206 PHE H H 218 8.127 8.127 6.904 1.223 17614 820 1 1 . 1 1 207 207 THR N N 219 112.682 112.682 115.411 -2.729 17614 821 1 1 . 1 1 207 207 THR C C 219 175.997 175.997 176.751 -0.754 17614 822 1 1 . 1 1 207 207 THR CA C 219 64.319 64.319 66.910 -2.591 17614 823 1 1 . 1 1 207 207 THR CB C 219 63.282 63.282 68.585 -5.303 17614 824 1 1 . 1 1 207 207 THR H H 219 7.977 7.977 7.913 0.064 17614 825 1 1 . 1 1 208 208 SER N N 220 117.589 117.589 117.529 0.060 17614 826 1 1 . 1 1 208 208 SER C C 220 175.055 175.055 176.408 -1.353 17614 827 1 1 . 1 1 208 208 SER CA C 220 61.344 61.344 61.582 -0.238 17614 828 1 1 . 1 1 208 208 SER CB C 220 63.440 63.440 62.867 0.573 17614 829 1 1 . 1 1 208 208 SER H H 220 8.004 8.004 7.730 0.274 17614 830 1 1 . 1 1 209 209 ALA N N 221 123.860 123.860 124.241 -0.381 17614 831 1 1 . 1 1 209 209 ALA C C 221 177.618 177.618 179.527 -1.909 17614 832 1 1 . 1 1 209 209 ALA CA C 221 53.932 53.932 54.799 -0.867 17614 833 1 1 . 1 1 209 209 ALA CB C 221 18.891 18.891 18.334 0.557 17614 834 1 1 . 1 1 209 209 ALA H H 221 7.704 7.704 7.692 0.012 17614 835 1 1 . 1 1 210 210 PHE N N 222 116.073 116.073 119.598 -3.525 17614 836 1 1 . 1 1 210 210 PHE C C 222 176.142 176.142 177.491 -1.349 17614 837 1 1 . 1 1 210 210 PHE CA C 222 58.271 58.271 61.508 -3.237 17614 838 1 1 . 1 1 210 210 PHE CB C 222 39.554 39.554 39.140 0.414 17614 839 1 1 . 1 1 210 210 PHE H H 222 7.718 7.718 8.199 -0.481 17614 840 1 1 . 1 1 211 211 GLY N N 223 108.578 108.578 106.223 2.355 17614 841 1 1 . 1 1 211 211 GLY C C 223 173.889 173.889 175.548 -1.659 17614 842 1 1 . 1 1 211 211 GLY CA C 223 45.993 45.993 47.081 -1.088 17614 843 1 1 . 1 1 211 211 GLY H H 223 7.909 7.909 8.068 -0.159 17614 844 1 1 . 1 1 212 212 ALA N N 224 123.322 123.322 124.480 -1.158 17614 845 1 1 . 1 1 212 212 ALA C C 224 178.550 178.550 179.457 -0.907 17614 846 1 1 . 1 1 212 212 ALA CA C 224 53.608 53.608 54.558 -0.950 17614 847 1 1 . 1 1 212 212 ALA CB C 224 19.069 19.069 18.387 0.682 17614 848 1 1 . 1 1 212 212 ALA H H 224 8.018 8.018 7.772 0.246 17614 849 1 1 . 1 1 213 213 GLY N N 225 107.935 107.935 107.455 0.480 17614 850 1 1 . 1 1 213 213 GLY C C 225 175.389 175.389 175.661 -0.272 17614 851 1 1 . 1 1 213 213 GLY CA C 225 46.967 46.967 46.759 0.208 17614 852 1 1 . 1 1 213 213 GLY H H 225 8.304 8.304 8.593 -0.289 17614 853 1 1 . 1 1 214 214 PHE N N 226 122.440 122.440 122.851 -0.411 17614 854 1 1 . 1 1 214 214 PHE C C 226 176.998 176.998 177.261 -0.263 17614 855 1 1 . 1 1 214 214 PHE CA C 226 60.673 60.673 60.727 -0.055 17614 856 1 1 . 1 1 214 214 PHE CB C 226 38.319 38.319 39.412 -1.093 17614 857 1 1 . 1 1 214 214 PHE H H 226 8.045 8.045 7.890 0.155 17614 858 1 1 . 1 1 215 215 CYS N N 227 116.562 116.562 117.055 -0.493 17614 859 1 1 . 1 1 215 215 CYS CA C 227 61.301 61.301 62.622 -1.321 17614 860 1 1 . 1 1 215 215 CYS CB C 227 41.286 41.286 26.868 14.418 17614 861 1 1 . 1 1 215 215 CYS H H 227 8.016 8.016 7.855 0.161 17614 862 1 1 . 1 1 216 216 THR C C 228 176.437 176.437 176.127 0.310 17614 863 1 1 . 1 1 216 216 THR H H 228 8.410 8.410 7.927 0.483 17614 864 1 1 . 1 1 217 217 THR N N 229 115.234 115.234 116.140 -0.906 17614 865 1 1 . 1 1 217 217 THR C C 229 176.749 176.749 176.546 0.203 17614 866 1 1 . 1 1 217 217 THR CA C 229 65.980 65.980 66.140 -0.160 17614 867 1 1 . 1 1 217 217 THR CB C 229 67.443 67.443 67.941 -0.498 17614 868 1 1 . 1 1 217 217 THR H H 229 8.188 8.188 7.710 0.478 17614 869 1 1 . 1 1 218 218 VAL N N 230 120.723 120.723 120.999 -0.276 17614 870 1 1 . 1 1 218 218 VAL C C 230 177.983 177.983 177.685 0.298 17614 871 1 1 . 1 1 218 218 VAL CA C 230 66.832 66.832 65.530 1.302 17614 872 1 1 . 1 1 218 218 VAL CB C 230 31.168 31.168 30.958 0.210 17614 873 1 1 . 1 1 218 218 VAL H H 230 8.027 8.027 7.198 0.829 17614 874 1 1 . 1 1 219 219 ILE N N 231 120.541 120.541 119.281 1.260 17614 875 1 1 . 1 1 219 219 ILE C C 231 177.368 177.368 177.181 0.187 17614 876 1 1 . 1 1 219 219 ILE CA C 231 65.575 65.575 63.294 2.281 17614 877 1 1 . 1 1 219 219 ILE CB C 231 37.722 37.722 37.435 0.287 17614 878 1 1 . 1 1 219 219 ILE H H 231 8.458 8.458 7.315 1.143 17614 879 1 1 . 1 1 220 220 ALA N N 232 122.766 122.766 121.369 1.397 17614 880 1 1 . 1 1 220 220 ALA C C 232 178.847 178.847 179.494 -0.647 17614 881 1 1 . 1 1 220 220 ALA CA C 232 55.252 55.252 54.671 0.581 17614 882 1 1 . 1 1 220 220 ALA CB C 232 17.874 17.874 18.674 -0.800 17614 883 1 1 . 1 1 220 220 ALA H H 232 8.589 8.589 7.970 0.619 17614 884 1 1 . 1 1 221 221 SER N N 233 113.387 113.387 114.979 -1.592 17614 885 1 1 . 1 1 221 221 SER CA C 233 62.348 62.348 62.287 0.061 17614 886 1 1 . 1 1 221 221 SER CB C 233 61.630 61.630 61.497 0.133 17614 887 1 1 . 1 1 221 221 SER H H 233 8.218 8.218 8.044 0.174 17614 888 1 1 . 1 1 222 222 PRO C C 234 178.221 178.221 178.144 0.077 17614 889 1 1 . 1 1 223 223 VAL N N 235 116.087 116.087 114.386 1.701 17614 890 1 1 . 1 1 223 223 VAL C C 235 177.089 177.089 177.575 -0.486 17614 891 1 1 . 1 1 223 223 VAL CA C 235 65.072 65.072 65.916 -0.844 17614 892 1 1 . 1 1 223 223 VAL CB C 235 31.084 31.084 31.054 0.030 17614 893 1 1 . 1 1 223 223 VAL H H 235 8.142 8.142 7.337 0.805 17614 894 1 1 . 1 1 224 224 ASP N N 236 121.556 121.556 120.202 1.354 17614 895 1 1 . 1 1 224 224 ASP C C 236 177.422 177.422 178.389 -0.967 17614 896 1 1 . 1 1 224 224 ASP CA C 236 57.135 57.135 56.966 0.169 17614 897 1 1 . 1 1 224 224 ASP CB C 236 40.065 40.065 40.029 0.036 17614 898 1 1 . 1 1 224 224 ASP H H 236 7.932 7.932 7.393 0.539 17614 899 1 1 . 1 1 225 225 VAL N N 237 117.233 117.233 120.666 -3.433 17614 900 1 1 . 1 1 225 225 VAL CA C 237 64.977 64.977 65.846 -0.869 17614 901 1 1 . 1 1 225 225 VAL CB C 237 31.013 31.013 32.049 -1.036 17614 902 1 1 . 1 1 225 225 VAL H H 237 7.710 7.710 7.664 0.046 17614 903 1 1 . 1 1 226 226 VAL C C 238 177.584 177.584 177.931 -0.347 17614 904 1 1 . 1 1 226 226 VAL H H 238 7.607 7.607 7.441 0.166 17614 905 1 1 . 1 1 227 227 LYS N N 239 120.095 120.095 118.070 2.025 17614 906 1 1 . 1 1 227 227 LYS C C 239 178.678 178.678 178.957 -0.279 17614 907 1 1 . 1 1 227 227 LYS CA C 239 58.483 58.483 59.036 -0.553 17614 908 1 1 . 1 1 227 227 LYS CB C 239 31.863 31.863 31.606 0.257 17614 909 1 1 . 1 1 227 227 LYS H H 239 7.761 7.761 7.451 0.310 17614 910 1 1 . 1 1 228 228 THR N N 240 115.247 115.247 113.809 1.438 17614 911 1 1 . 1 1 228 228 THR C C 240 175.093 175.093 176.823 -1.730 17614 912 1 1 . 1 1 228 228 THR CA C 240 66.458 66.458 64.999 1.459 17614 913 1 1 . 1 1 228 228 THR CB C 240 68.011 68.011 68.807 -0.796 17614 914 1 1 . 1 1 228 228 THR H H 240 7.761 7.761 7.750 0.011 17614 915 1 1 . 1 1 229 229 ARG N N 241 119.633 119.633 120.230 -0.597 17614 916 1 1 . 1 1 229 229 ARG CA C 241 57.133 57.133 59.513 -2.380 17614 917 1 1 . 1 1 229 229 ARG CB C 241 31.218 31.218 29.294 1.924 17614 918 1 1 . 1 1 229 229 ARG H H 241 7.383 7.383 7.651 -0.268 17614 919 1 1 . 1 1 230 230 TYR C C 242 174.956 174.956 177.760 -2.804 17614 920 1 1 . 1 1 230 230 TYR H H 242 8.699 8.699 7.547 1.152 17614 921 1 1 . 1 1 231 231 MET N N 243 118.458 118.458 116.812 1.646 17614 922 1 1 . 1 1 231 231 MET C C 243 175.676 175.676 177.261 -1.585 17614 923 1 1 . 1 1 231 231 MET CA C 243 54.417 54.417 57.992 -3.575 17614 924 1 1 . 1 1 231 231 MET H H 243 7.442 7.442 7.899 -0.457 17614 925 1 1 . 1 1 232 232 ASN N N 244 116.369 116.369 115.412 0.957 17614 926 1 1 . 1 1 232 232 ASN C C 244 174.919 174.919 175.580 -0.661 17614 927 1 1 . 1 1 232 232 ASN CA C 244 59.470 59.470 54.525 4.945 17614 928 1 1 . 1 1 232 232 ASN CB C 244 39.079 39.079 38.697 0.382 17614 929 1 1 . 1 1 232 232 ASN H H 244 7.772 7.772 7.937 -0.165 17614 930 1 1 . 1 1 233 233 SER N N 245 114.568 114.568 111.221 3.347 17614 931 1 1 . 1 1 233 233 SER C C 245 175.695 175.695 171.820 3.875 17614 932 1 1 . 1 1 233 233 SER CA C 245 53.852 53.852 57.358 -3.506 17614 933 1 1 . 1 1 233 233 SER CB C 245 61.232 61.232 65.034 -3.802 17614 934 1 1 . 1 1 233 233 SER H H 245 8.475 8.475 7.736 0.739 17614 935 1 1 . 1 1 234 234 ALA N N 246 127.283 127.283 123.403 3.880 17614 936 1 1 . 1 1 234 234 ALA C C 246 177.128 177.128 176.581 0.547 17614 937 1 1 . 1 1 234 234 ALA CA C 246 56.803 56.803 51.936 4.867 17614 938 1 1 . 1 1 234 234 ALA CB C 246 18.901 18.901 20.465 -1.564 17614 939 1 1 . 1 1 234 234 ALA H H 246 7.929 7.929 8.119 -0.190 17614 940 1 1 . 1 1 235 235 LEU N N 247 118.112 118.112 121.683 -3.571 17614 941 1 1 . 1 1 235 235 LEU C C 247 176.723 176.723 176.640 0.083 17614 942 1 1 . 1 1 235 235 LEU CA C 247 54.156 54.156 55.183 -1.027 17614 943 1 1 . 1 1 235 235 LEU CB C 247 41.215 41.215 41.539 -0.324 17614 944 1 1 . 1 1 235 235 LEU H H 247 7.922 7.922 8.889 -0.967 17614 945 1 1 . 1 1 236 236 GLY N N 248 107.203 107.203 109.812 -2.609 17614 946 1 1 . 1 1 236 236 GLY CA C 248 44.558 44.558 45.266 -0.708 17614 947 1 1 . 1 1 236 236 GLY H H 248 8.318 8.318 8.219 0.099 17614 948 1 1 . 1 1 238 238 TYR C C 250 175.942 175.942 175.580 0.362 17614 949 1 1 . 1 1 238 238 TYR H H 250 8.134 8.134 7.896 0.238 17614 950 1 1 . 1 1 239 239 HIS N N 251 123.281 123.281 124.715 -1.434 17614 951 1 1 . 1 1 239 239 HIS C C 251 174.531 174.531 174.885 -0.354 17614 952 1 1 . 1 1 239 239 HIS CA C 251 58.931 58.931 57.631 1.300 17614 953 1 1 . 1 1 239 239 HIS CB C 251 29.525 29.525 30.676 -1.151 17614 954 1 1 . 1 1 239 239 HIS H H 251 8.184 8.184 8.723 -0.539 17614 955 1 1 . 1 1 240 240 SER N N 252 110.038 110.038 110.634 -0.596 17614 956 1 1 . 1 1 240 240 SER C C 252 174.429 174.429 174.393 0.036 17614 957 1 1 . 1 1 240 240 SER CA C 252 57.452 57.452 57.072 0.380 17614 958 1 1 . 1 1 240 240 SER CB C 252 65.022 65.022 65.568 -0.546 17614 959 1 1 . 1 1 240 240 SER H H 252 8.010 8.010 7.817 0.193 17614 960 1 1 . 1 1 241 241 ALA N N 253 123.034 123.034 123.253 -0.219 17614 961 1 1 . 1 1 241 241 ALA C C 253 179.249 179.249 180.073 -0.824 17614 962 1 1 . 1 1 241 241 ALA CA C 253 54.981 54.981 54.520 0.461 17614 963 1 1 . 1 1 241 241 ALA CB C 253 19.069 19.069 18.286 0.783 17614 964 1 1 . 1 1 241 241 ALA H H 253 8.034 8.034 8.674 -0.640 17614 965 1 1 . 1 1 242 242 GLY N N 254 106.379 106.379 106.150 0.229 17614 966 1 1 . 1 1 242 242 GLY C C 254 174.433 174.433 175.723 -1.290 17614 967 1 1 . 1 1 242 242 GLY CA C 254 47.615 47.615 47.004 0.611 17614 968 1 1 . 1 1 242 242 GLY H H 254 8.427 8.427 8.759 -0.332 17614 969 1 1 . 1 1 243 243 HIS N N 255 121.119 121.119 121.439 -0.320 17614 970 1 1 . 1 1 243 243 HIS C C 255 178.084 178.084 176.932 1.152 17614 971 1 1 . 1 1 243 243 HIS CA C 255 60.144 60.144 58.955 1.189 17614 972 1 1 . 1 1 243 243 HIS CB C 255 33.073 33.073 29.949 3.124 17614 973 1 1 . 1 1 243 243 HIS H H 255 8.304 8.304 7.816 0.488 17614 974 1 1 . 1 1 244 244 CYS N N 256 117.946 117.946 118.524 -0.578 17614 975 1 1 . 1 1 244 244 CYS C C 256 175.453 175.453 176.927 -1.474 17614 976 1 1 . 1 1 244 244 CYS CA C 256 58.668 58.668 62.510 -3.842 17614 977 1 1 . 1 1 244 244 CYS CB C 256 41.434 41.434 26.427 15.007 17614 978 1 1 . 1 1 244 244 CYS H H 256 8.168 8.168 7.938 0.230 17614 979 1 1 . 1 1 245 245 ALA N N 257 123.138 123.138 123.409 -0.271 17614 980 1 1 . 1 1 245 245 ALA C C 257 179.489 179.489 179.898 -0.409 17614 981 1 1 . 1 1 245 245 ALA CA C 257 54.589 54.589 55.187 -0.598 17614 982 1 1 . 1 1 245 245 ALA CB C 257 17.675 17.675 18.014 -0.339 17614 983 1 1 . 1 1 245 245 ALA H H 257 7.932 7.932 7.577 0.355 17614 984 1 1 . 1 1 246 246 LEU N N 258 119.779 119.779 118.748 1.031 17614 985 1 1 . 1 1 246 246 LEU C C 258 178.234 178.234 178.832 -0.598 17614 986 1 1 . 1 1 246 246 LEU CA C 258 56.967 56.967 57.071 -0.104 17614 987 1 1 . 1 1 246 246 LEU CB C 258 41.067 41.067 41.011 0.056 17614 988 1 1 . 1 1 246 246 LEU H H 258 7.681 7.681 7.578 0.103 17614 989 1 1 . 1 1 247 247 THR N N 259 114.552 114.552 113.286 1.266 17614 990 1 1 . 1 1 247 247 THR C C 259 176.244 176.244 176.872 -0.628 17614 991 1 1 . 1 1 247 247 THR CA C 259 66.511 66.511 66.081 0.430 17614 992 1 1 . 1 1 247 247 THR CB C 259 67.274 67.274 68.548 -1.274 17614 993 1 1 . 1 1 247 247 THR H H 259 7.855 7.855 7.931 -0.076 17614 994 1 1 . 1 1 248 248 MET N N 260 118.862 118.862 122.626 -3.764 17614 995 1 1 . 1 1 248 248 MET C C 260 177.094 177.094 177.400 -0.306 17614 996 1 1 . 1 1 248 248 MET CA C 260 58.532 58.532 58.214 0.319 17614 997 1 1 . 1 1 248 248 MET CB C 260 32.288 32.288 31.832 0.456 17614 998 1 1 . 1 1 248 248 MET H H 260 8.296 8.296 8.450 -0.154 17614 999 1 1 . 1 1 249 249 LEU N N 261 116.839 116.839 117.877 -1.038 17614 1000 1 1 . 1 1 249 249 LEU C C 261 178.162 178.162 178.964 -0.802 17614 1001 1 1 . 1 1 249 249 LEU CA C 261 58.167 58.167 57.436 0.731 17614 1002 1 1 . 1 1 249 249 LEU CB C 261 42.202 42.202 41.751 0.451 17614 1003 1 1 . 1 1 249 249 LEU H H 261 8.053 8.053 7.574 0.479 17614 1004 1 1 . 1 1 250 250 ARG N N 262 116.821 116.821 118.353 -1.532 17614 1005 1 1 . 1 1 250 250 ARG CA C 262 58.761 58.761 57.848 0.913 17614 1006 1 1 . 1 1 250 250 ARG CB C 262 30.825 30.825 30.933 -0.108 17614 1007 1 1 . 1 1 250 250 ARG H H 262 7.827 7.827 7.712 0.115 17614 1008 1 1 . 1 1 254 254 PRO C C 266 177.152 177.152 178.013 -0.861 17614 1009 1 1 . 1 1 254 254 PRO CA C 266 65.152 65.152 64.333 0.819 17614 1010 1 1 . 1 1 255 255 ARG N N 267 117.739 117.739 117.419 0.320 17614 1011 1 1 . 1 1 255 255 ARG C C 267 177.463 177.463 177.706 -0.243 17614 1012 1 1 . 1 1 255 255 ARG CA C 267 59.335 59.335 58.620 0.715 17614 1013 1 1 . 1 1 255 255 ARG CB C 267 30.185 30.185 29.075 1.110 17614 1014 1 1 . 1 1 255 255 ARG H H 267 8.072 8.072 8.468 -0.396 17614 1015 1 1 . 1 1 256 256 ALA N N 268 121.709 121.709 121.849 -0.140 17614 1016 1 1 . 1 1 256 256 ALA C C 268 179.251 179.251 179.564 -0.313 17614 1017 1 1 . 1 1 256 256 ALA CA C 268 54.631 54.631 54.553 0.078 17614 1018 1 1 . 1 1 256 256 ALA CB C 268 18.683 18.683 18.157 0.526 17614 1019 1 1 . 1 1 256 256 ALA H H 268 7.963 7.963 7.840 0.123 17614 1020 1 1 . 1 1 257 257 PHE N N 269 117.096 117.096 117.208 -0.112 17614 1021 1 1 . 1 1 257 257 PHE C C 269 175.987 175.987 177.550 -1.563 17614 1022 1 1 . 1 1 257 257 PHE CA C 269 61.037 61.037 61.315 -0.278 17614 1023 1 1 . 1 1 257 257 PHE CB C 269 38.637 38.637 38.625 0.012 17614 1024 1 1 . 1 1 257 257 PHE H H 269 7.832 7.832 7.964 -0.132 17614 1025 1 1 . 1 1 258 258 TYR N N 270 118.496 118.496 117.447 1.049 17614 1026 1 1 . 1 1 258 258 TYR C C 270 176.250 176.250 176.572 -0.322 17614 1027 1 1 . 1 1 258 258 TYR CA C 270 60.116 60.116 60.050 0.066 17614 1028 1 1 . 1 1 258 258 TYR CB C 270 38.882 38.882 38.540 0.342 17614 1029 1 1 . 1 1 258 258 TYR H H 270 7.813 7.813 7.679 0.134 17614 1030 1 1 . 1 1 259 259 LYS N N 271 119.458 119.458 119.397 0.061 17614 1031 1 1 . 1 1 259 259 LYS C C 271 177.696 177.696 176.281 1.415 17614 1032 1 1 . 1 1 259 259 LYS CA C 271 57.192 57.192 56.212 0.980 17614 1033 1 1 . 1 1 259 259 LYS CB C 271 32.734 32.734 33.744 -1.010 17614 1034 1 1 . 1 1 259 259 LYS H H 271 7.864 7.864 8.003 -0.139 17614 1035 1 1 . 1 1 260 260 GLY N N 272 106.217 106.217 107.784 -1.567 17614 1036 1 1 . 1 1 260 260 GLY C C 272 173.967 173.967 173.094 0.873 17614 1037 1 1 . 1 1 260 260 GLY CA C 272 46.117 46.117 45.824 0.293 17614 1038 1 1 . 1 1 260 260 GLY H H 272 7.622 7.622 8.325 -0.703 17614 1039 1 1 . 1 1 261 261 PHE N N 273 118.847 118.847 115.354 3.493 17614 1040 1 1 . 1 1 261 261 PHE C C 273 175.055 175.055 175.375 -0.320 17614 1041 1 1 . 1 1 261 261 PHE CA C 273 57.721 57.721 57.696 0.025 17614 1042 1 1 . 1 1 261 261 PHE CB C 273 40.183 40.183 39.054 1.129 17614 1043 1 1 . 1 1 261 261 PHE H H 273 7.677 7.677 7.513 0.164 17614 1044 1 1 . 1 1 265 265 PHE C C 277 176.602 176.602 176.903 -0.301 17614 1045 1 1 . 1 1 265 265 PHE CA C 277 61.838 61.838 61.644 0.194 17614 1046 1 1 . 1 1 265 265 PHE CB C 277 39.537 39.537 39.256 0.281 17614 1047 1 1 . 1 1 265 265 PHE H H 277 7.695 7.695 7.837 -0.142 17614 1048 1 1 . 1 1 266 266 LEU N N 278 118.465 118.465 118.987 -0.522 17614 1049 1 1 . 1 1 266 266 LEU C C 278 177.152 177.152 179.077 -1.925 17614 1050 1 1 . 1 1 266 266 LEU CA C 278 56.115 56.115 58.079 -1.964 17614 1051 1 1 . 1 1 266 266 LEU CB C 278 42.398 42.398 41.489 0.909 17614 1052 1 1 . 1 1 266 266 LEU H H 278 8.104 8.104 8.047 0.057 17614 1053 1 1 . 1 1 267 267 ARG N N 279 118.749 118.749 118.845 -0.096 17614 1054 1 1 . 1 1 267 267 ARG C C 279 176.608 176.608 178.848 -2.240 17614 1055 1 1 . 1 1 267 267 ARG CA C 279 56.938 56.938 59.367 -2.429 17614 1056 1 1 . 1 1 267 267 ARG CB C 279 30.659 30.659 29.927 0.732 17614 1057 1 1 . 1 1 267 267 ARG H H 279 7.472 7.472 8.098 -0.626 17614 1058 1 1 . 1 1 268 268 LEU N N 280 120.305 120.305 120.229 0.076 17614 1059 1 1 . 1 1 268 268 LEU C C 280 177.540 177.540 178.654 -1.114 17614 1060 1 1 . 1 1 268 268 LEU CA C 280 57.094 57.094 57.573 -0.479 17614 1061 1 1 . 1 1 268 268 LEU CB C 280 42.027 42.027 41.465 0.562 17614 1062 1 1 . 1 1 268 268 LEU H H 280 7.690 7.690 8.353 -0.663 17614 1063 1 1 . 1 1 269 269 GLY N N 281 106.837 106.837 106.249 0.588 17614 1064 1 1 . 1 1 269 269 GLY C C 281 174.045 174.045 175.975 -1.930 17614 1065 1 1 . 1 1 269 269 GLY CA C 281 46.967 46.967 46.952 0.015 17614 1066 1 1 . 1 1 269 269 GLY H H 281 7.881 7.881 7.684 0.197 17614 1067 1 1 . 1 1 270 270 SER N N 282 115.531 115.531 118.181 -2.650 17614 1068 1 1 . 1 1 270 270 SER C C 282 174.123 174.123 176.413 -2.290 17614 1069 1 1 . 1 1 270 270 SER CA C 282 58.796 58.796 61.407 -2.611 17614 1070 1 1 . 1 1 270 270 SER CB C 282 58.975 58.975 63.210 -4.235 17614 1071 1 1 . 1 1 270 270 SER H H 282 7.813 7.813 7.492 0.321 17614 1072 1 1 . 1 1 271 271 TRP N N 283 122.851 122.851 123.438 -0.587 17614 1073 1 1 . 1 1 271 271 TRP C C 283 176.142 176.142 177.677 -1.535 17614 1074 1 1 . 1 1 271 271 TRP CA C 283 59.221 59.221 61.339 -2.118 17614 1075 1 1 . 1 1 271 271 TRP CB C 283 30.446 30.446 29.508 0.938 17614 1076 1 1 . 1 1 271 271 TRP H H 283 8.186 8.186 8.805 -0.619 17614 1077 1 1 . 1 1 272 272 ASN N N 284 118.459 118.459 117.297 1.162 17614 1078 1 1 . 1 1 272 272 ASN CA C 284 55.325 55.325 56.465 -1.140 17614 1079 1 1 . 1 1 272 272 ASN CB C 284 39.504 39.504 38.361 1.143 17614 1080 1 1 . 1 1 272 272 ASN H H 284 8.127 8.127 7.969 0.158 17614 1081 1 1 . 1 1 273 273 VAL C C 285 177.263 177.263 177.230 0.033 17614 1082 1 1 . 1 1 273 273 VAL H H 285 7.854 7.854 7.316 0.538 17614 1083 1 1 . 1 1 274 274 VAL N N 286 119.883 119.883 116.758 3.125 17614 1084 1 1 . 1 1 274 274 VAL C C 286 177.072 177.072 177.024 0.048 17614 1085 1 1 . 1 1 274 274 VAL CA C 286 64.717 64.717 65.970 -1.253 17614 1086 1 1 . 1 1 274 274 VAL CB C 286 29.553 29.553 31.533 -1.980 17614 1087 1 1 . 1 1 274 274 VAL H H 286 7.483 7.483 7.124 0.359 17614 1088 1 1 . 1 1 275 275 MET N N 287 120.401 120.401 116.830 3.571 17614 1089 1 1 . 1 1 275 275 MET C C 287 177.594 177.594 178.210 -0.616 17614 1090 1 1 . 1 1 275 275 MET CA C 287 57.654 57.654 58.374 -0.720 17614 1091 1 1 . 1 1 275 275 MET CB C 287 31.592 31.592 31.941 -0.349 17614 1092 1 1 . 1 1 275 275 MET H H 287 8.118 8.118 7.021 1.097 17614 1093 1 1 . 1 1 276 276 PHE N N 288 122.234 122.234 121.178 1.056 17614 1094 1 1 . 1 1 276 276 PHE C C 288 176.498 176.498 177.373 -0.875 17614 1095 1 1 . 1 1 276 276 PHE CA C 288 61.766 61.766 62.038 -0.272 17614 1096 1 1 . 1 1 276 276 PHE CB C 288 39.031 39.031 39.414 -0.384 17614 1097 1 1 . 1 1 276 276 PHE H H 288 7.878 7.878 7.665 0.213 17614 1098 1 1 . 1 1 277 277 VAL N N 289 118.907 118.907 115.509 3.398 17614 1099 1 1 . 1 1 277 277 VAL CA C 289 64.566 64.566 66.779 -2.213 17614 1100 1 1 . 1 1 277 277 VAL CB C 289 30.544 30.544 30.468 0.076 17614 1101 1 1 . 1 1 277 277 VAL H H 289 7.913 7.913 7.810 0.103 17614 1102 1 1 . 1 1 278 278 THR C C 290 175.376 175.376 176.626 -1.250 17614 1103 1 1 . 1 1 278 278 THR H H 290 8.095 8.095 7.335 0.760 17614 1104 1 1 . 1 1 279 279 TYR N N 291 118.029 118.029 120.744 -2.715 17614 1105 1 1 . 1 1 279 279 TYR C C 291 176.919 176.919 177.503 -0.584 17614 1106 1 1 . 1 1 279 279 TYR CA C 291 61.717 61.717 61.602 0.115 17614 1107 1 1 . 1 1 279 279 TYR CB C 291 38.020 38.020 37.866 0.154 17614 1108 1 1 . 1 1 279 279 TYR H H 291 7.986 7.986 7.499 0.487 17614 1109 1 1 . 1 1 280 280 GLU N N 292 118.005 118.005 119.446 -1.441 17614 1110 1 1 . 1 1 280 280 GLU C C 292 176.686 176.686 178.547 -1.861 17614 1111 1 1 . 1 1 280 280 GLU CA C 292 60.084 60.084 59.430 0.654 17614 1112 1 1 . 1 1 280 280 GLU CB C 292 29.443 29.443 28.451 0.992 17614 1113 1 1 . 1 1 280 280 GLU H H 292 8.359 8.359 8.178 0.181 17614 1114 1 1 . 1 1 281 281 GLN N N 293 118.746 118.746 119.676 -0.930 17614 1115 1 1 . 1 1 281 281 GLN C C 293 176.210 176.210 177.800 -1.590 17614 1116 1 1 . 1 1 281 281 GLN CA C 293 58.986 58.986 58.489 0.497 17614 1117 1 1 . 1 1 281 281 GLN CB C 293 28.784 28.784 28.554 0.230 17614 1118 1 1 . 1 1 281 281 GLN H H 293 7.704 7.704 7.379 0.325 17614 1119 1 1 . 1 1 282 282 LEU N N 294 120.970 120.970 118.075 2.895 17614 1120 1 1 . 1 1 282 282 LEU C C 294 178.084 178.084 178.454 -0.370 17614 1121 1 1 . 1 1 282 282 LEU CA C 294 58.741 58.741 57.407 1.334 17614 1122 1 1 . 1 1 282 282 LEU CB C 294 41.451 41.451 41.871 -0.420 17614 1123 1 1 . 1 1 282 282 LEU H H 294 7.995 7.995 7.465 0.530 17614 1124 1 1 . 1 1 283 283 LYS N N 295 117.756 117.756 117.365 0.391 17614 1125 1 1 . 1 1 283 283 LYS CA C 295 59.048 59.048 58.223 0.825 17614 1126 1 1 . 1 1 283 283 LYS CB C 295 31.871 31.871 33.005 -1.135 17614 1127 1 1 . 1 1 283 283 LYS H H 295 7.731 7.731 7.883 -0.152 17614 1128 1 1 . 1 1 284 284 ARG H H 296 7.895 7.895 8.061 -0.166 17614 1129 1 1 . 1 1 285 285 ALA C C 297 176.488 176.488 176.747 -0.259 17614 1130 1 1 . 1 1 285 285 ALA H H 297 8.223 8.223 8.248 -0.025 17614 1131 1 1 . 1 1 286 286 LEU N N 298 117.376 117.376 119.596 -2.220 17614 1132 1 1 . 1 1 286 286 LEU C C 298 178.628 178.628 177.014 1.614 17614 1133 1 1 . 1 1 286 286 LEU CA C 298 58.217 58.217 55.334 2.883 17614 1134 1 1 . 1 1 286 286 LEU CB C 298 41.905 41.905 42.771 -0.866 17614 1135 1 1 . 1 1 286 286 LEU H H 298 7.947 7.947 8.284 -0.337 17614 1136 1 1 . 1 1 287 287 MET N N 299 127.376 127.376 119.336 8.040 17614 1137 1 1 . 1 1 287 287 MET C C 299 178.472 178.472 174.649 3.823 17614 1138 1 1 . 1 1 287 287 MET CA C 299 58.461 58.461 55.548 2.913 17614 1139 1 1 . 1 1 287 287 MET CB C 299 32.110 32.110 33.521 -1.411 17614 1140 1 1 . 1 1 287 287 MET H H 299 8.182 8.182 7.972 0.210 17614 1141 1 1 . 1 1 288 288 ALA N N 300 121.854 121.854 124.248 -2.394 17614 1142 1 1 . 1 1 288 288 ALA C C 300 180.197 180.197 176.086 4.111 17614 1143 1 1 . 1 1 288 288 ALA CA C 300 55.617 55.617 51.930 3.687 17614 1144 1 1 . 1 1 288 288 ALA CB C 300 18.215 18.215 20.174 -1.959 17614 1145 1 1 . 1 1 288 288 ALA H H 300 7.841 7.841 8.380 -0.539 17614 1146 1 1 . 1 1 289 289 ALA N N 301 121.224 121.224 127.135 -5.911 17614 1147 1 1 . 1 1 289 289 ALA C C 301 178.939 178.939 178.099 0.840 17614 1148 1 1 . 1 1 289 289 ALA CA C 301 55.186 55.186 54.469 0.717 17614 1149 1 1 . 1 1 289 289 ALA CB C 301 18.735 18.735 18.966 -0.231 17614 1150 1 1 . 1 1 289 289 ALA H H 301 7.872 7.872 8.743 -0.871 17614 1151 1 1 . 1 1 290 290 TYR N N 302 118.183 118.183 119.926 -1.743 17614 1152 1 1 . 1 1 290 290 TYR C C 302 176.841 176.841 177.649 -0.808 17614 1153 1 1 . 1 1 290 290 TYR CA C 302 60.868 60.868 61.343 -0.475 17614 1154 1 1 . 1 1 290 290 TYR CB C 302 39.344 39.344 38.108 1.236 17614 1155 1 1 . 1 1 290 290 TYR H H 302 8.100 8.100 8.499 -0.399 17614 1156 1 1 . 1 1 291 291 GLN N N 303 117.243 117.243 119.628 -2.385 17614 1157 1 1 . 1 1 291 291 GLN C C 303 176.997 176.997 178.620 -1.623 17614 1158 1 1 . 1 1 291 291 GLN CA C 303 58.787 58.787 58.713 0.074 17614 1159 1 1 . 1 1 291 291 GLN CB C 303 29.216 29.216 28.056 1.160 17614 1160 1 1 . 1 1 291 291 GLN H H 303 8.059 8.059 8.563 -0.504 17614 1161 1 1 . 1 1 292 292 SER N N 304 114.721 114.721 115.012 -0.291 17614 1162 1 1 . 1 1 292 292 SER C C 304 174.511 174.511 176.088 -1.577 17614 1163 1 1 . 1 1 292 292 SER CA C 304 59.720 59.720 60.570 -0.850 17614 1164 1 1 . 1 1 292 292 SER CB C 304 63.896 63.896 62.941 0.955 17614 1165 1 1 . 1 1 292 292 SER H H 304 7.718 7.718 7.930 -0.212 17614 1166 1 1 . 1 1 293 293 ARG N N 305 121.401 121.401 119.941 1.460 17614 1167 1 1 . 1 1 293 293 ARG C C 305 175.521 175.521 178.004 -2.483 17614 1168 1 1 . 1 1 293 293 ARG CA C 305 59.639 59.639 58.317 1.322 17614 1169 1 1 . 1 1 293 293 ARG CB C 305 30.568 30.568 30.325 0.243 17614 1170 1 1 . 1 1 293 293 ARG H H 305 7.609 7.609 8.247 -0.638 17614 1171 1 1 . 1 1 294 294 GLU N N 306 120.090 120.090 117.724 2.366 17614 1172 1 1 . 1 1 294 294 GLU C C 306 177.648 177.648 179.056 -1.408 17614 1173 1 1 . 1 1 294 294 GLU CA C 306 59.624 59.624 58.681 0.943 17614 1174 1 1 . 1 1 294 294 GLU CB C 306 30.362 30.362 29.514 0.848 17614 1175 1 1 . 1 1 294 294 GLU H H 306 7.909 7.909 7.637 0.272 17614 1176 1 1 . 1 1 295 295 ALA N N 307 121.234 121.234 123.823 -2.589 17614 1177 1 1 . 1 1 295 295 ALA C C 307 176.014 176.014 177.078 -1.064 17614 1178 1 1 . 1 1 295 295 ALA CA C 307 56.844 56.844 55.576 1.268 17614 1179 1 1 . 1 1 295 295 ALA CB C 307 17.735 17.735 16.892 0.843 17614 1180 1 1 . 1 1 295 295 ALA H H 307 7.760 7.760 7.647 0.113 17614 1181 1 2 . 1 1 3 3 VAL N N 15 123.095 123.095 122.404 0.691 17614 1182 1 2 . 1 1 3 3 VAL C C 15 176.453 176.453 175.473 0.980 17614 1183 1 2 . 1 1 3 3 VAL CA C 15 63.979 63.979 60.271 3.708 17614 1184 1 2 . 1 1 3 3 VAL CB C 15 32.507 32.507 35.510 -3.003 17614 1185 1 2 . 1 1 3 3 VAL H H 15 8.053 8.053 7.843 0.210 17614 1186 1 2 . 1 1 4 4 LYS N N 16 123.075 123.075 123.124 -0.049 17614 1187 1 2 . 1 1 4 4 LYS C C 16 176.841 176.841 178.559 -1.718 17614 1188 1 2 . 1 1 4 4 LYS CA C 16 59.762 59.762 59.654 0.108 17614 1189 1 2 . 1 1 4 4 LYS CB C 16 32.751 32.751 32.409 0.342 17614 1190 1 2 . 1 1 4 4 LYS H H 16 8.059 8.059 8.668 -0.609 17614 1191 1 2 . 1 1 5 5 PHE N N 17 118.838 118.838 119.313 -0.475 17614 1192 1 2 . 1 1 5 5 PHE C C 17 175.443 175.443 177.541 -2.098 17614 1193 1 2 . 1 1 5 5 PHE CA C 17 59.915 59.915 60.606 -0.691 17614 1194 1 2 . 1 1 5 5 PHE CB C 17 39.659 39.659 38.837 0.822 17614 1195 1 2 . 1 1 5 5 PHE H H 17 7.909 7.909 8.287 -0.378 17614 1196 1 2 . 1 1 6 6 LEU N N 18 119.089 119.089 120.203 -1.114 17614 1197 1 2 . 1 1 6 6 LEU C C 18 177.195 177.195 177.647 -0.452 17614 1198 1 2 . 1 1 6 6 LEU CA C 18 55.385 55.385 56.696 -1.311 17614 1199 1 2 . 1 1 6 6 LEU CB C 18 42.905 42.905 41.748 1.157 17614 1200 1 2 . 1 1 6 6 LEU H H 18 7.814 7.814 8.172 -0.358 17614 1201 1 2 . 1 1 7 7 GLY N N 19 108.484 108.484 107.838 0.646 17614 1202 1 2 . 1 1 7 7 GLY C C 19 174.967 174.967 175.542 -0.575 17614 1203 1 2 . 1 1 7 7 GLY CA C 19 45.518 45.518 47.130 -1.613 17614 1204 1 2 . 1 1 7 7 GLY H H 19 8.032 8.032 8.167 -0.135 17614 1205 1 2 . 1 1 8 8 ALA N N 20 124.208 124.208 123.817 0.391 17614 1206 1 2 . 1 1 8 8 ALA C C 20 179.405 179.405 179.406 -0.001 17614 1207 1 2 . 1 1 8 8 ALA CA C 20 54.531 54.531 54.394 0.137 17614 1208 1 2 . 1 1 8 8 ALA CB C 20 18.995 18.995 18.102 0.893 17614 1209 1 2 . 1 1 8 8 ALA H H 20 8.318 8.318 7.984 0.334 17614 1210 1 2 . 1 1 9 9 GLY N N 21 108.209 108.209 107.117 1.092 17614 1211 1 2 . 1 1 9 9 GLY C C 21 175.676 175.676 176.132 -0.456 17614 1212 1 2 . 1 1 9 9 GLY CA C 21 46.742 46.742 47.203 -0.461 17614 1213 1 2 . 1 1 9 9 GLY H H 21 8.523 8.523 8.061 0.462 17614 1214 1 2 . 1 1 10 10 THR N N 22 119.542 119.542 114.668 4.874 17614 1215 1 2 . 1 1 10 10 THR C C 22 175.661 175.661 176.262 -0.601 17614 1216 1 2 . 1 1 10 10 THR CA C 22 66.401 66.401 64.979 1.422 17614 1217 1 2 . 1 1 10 10 THR CB C 22 68.866 68.866 68.703 0.163 17614 1218 1 2 . 1 1 10 10 THR H H 22 7.881 7.881 8.301 -0.420 17614 1219 1 2 . 1 1 11 11 ALA N N 23 123.431 123.431 124.939 -1.508 17614 1220 1 2 . 1 1 11 11 ALA C C 23 178.628 178.628 179.039 -0.411 17614 1221 1 2 . 1 1 11 11 ALA CA C 23 55.480 55.480 54.877 0.603 17614 1222 1 2 . 1 1 11 11 ALA CB C 23 18.218 18.218 18.187 0.031 17614 1223 1 2 . 1 1 11 11 ALA H H 23 8.263 8.263 7.464 0.799 17614 1224 1 2 . 1 1 12 12 ALA N N 24 119.939 119.939 120.927 -0.988 17614 1225 1 2 . 1 1 12 12 ALA C C 24 179.172 179.172 179.392 -0.220 17614 1226 1 2 . 1 1 12 12 ALA CA C 24 55.038 55.038 55.027 0.011 17614 1227 1 2 . 1 1 12 12 ALA CB C 24 18.385 18.385 18.223 0.162 17614 1228 1 2 . 1 1 12 12 ALA H H 24 7.827 7.827 8.291 -0.464 17614 1229 1 2 . 1 1 13 13 CYS N N 25 116.736 116.736 116.381 0.355 17614 1230 1 2 . 1 1 13 13 CYS C C 25 176.220 176.220 177.038 -0.818 17614 1231 1 2 . 1 1 13 13 CYS CA C 25 58.596 58.596 64.251 -5.655 17614 1232 1 2 . 1 1 13 13 CYS CB C 25 41.771 41.771 27.626 14.145 17614 1233 1 2 . 1 1 13 13 CYS H H 25 7.677 7.677 7.410 0.267 17614 1234 1 2 . 1 1 14 14 ILE N N 26 119.154 119.154 118.018 1.136 17614 1235 1 2 . 1 1 14 14 ILE C C 26 176.915 176.915 177.372 -0.457 17614 1236 1 2 . 1 1 14 14 ILE CA C 26 64.858 64.858 64.755 0.103 17614 1237 1 2 . 1 1 14 14 ILE CB C 26 38.090 38.090 37.199 0.891 17614 1238 1 2 . 1 1 14 14 ILE H H 26 7.899 7.899 7.598 0.301 17614 1239 1 2 . 1 1 15 15 ALA N N 27 121.116 121.116 122.750 -1.634 17614 1240 1 2 . 1 1 15 15 ALA C C 27 179.016 179.016 179.083 -0.067 17614 1241 1 2 . 1 1 15 15 ALA CA C 27 55.367 55.367 54.870 0.497 17614 1242 1 2 . 1 1 15 15 ALA CB C 27 18.385 18.385 18.662 -0.277 17614 1243 1 2 . 1 1 15 15 ALA H H 27 7.909 7.909 7.965 -0.056 17614 1244 1 2 . 1 1 16 16 ASP N N 28 116.829 116.829 118.627 -1.798 17614 1245 1 2 . 1 1 16 16 ASP C C 28 177.643 177.643 178.428 -0.785 17614 1246 1 2 . 1 1 16 16 ASP CA C 28 56.453 56.453 57.665 -1.212 17614 1247 1 2 . 1 1 16 16 ASP CB C 28 41.128 41.128 40.726 0.402 17614 1248 1 2 . 1 1 16 16 ASP H H 28 7.554 7.554 7.589 -0.035 17614 1249 1 2 . 1 1 17 17 LEU N N 29 119.672 119.672 120.765 -1.093 17614 1250 1 2 . 1 1 17 17 LEU C C 29 178.628 178.628 178.958 -0.330 17614 1251 1 2 . 1 1 17 17 LEU CA C 29 57.144 57.144 58.540 -1.396 17614 1252 1 2 . 1 1 17 17 LEU CB C 29 43.146 43.146 42.081 1.065 17614 1253 1 2 . 1 1 17 17 LEU H H 29 7.732 7.732 7.398 0.334 17614 1254 1 2 . 1 1 18 18 ILE N N 30 113.629 113.629 115.271 -1.642 17614 1255 1 2 . 1 1 18 18 ILE C C 30 176.456 176.456 177.068 -0.612 17614 1256 1 2 . 1 1 18 18 ILE CA C 30 60.539 60.539 62.931 -2.392 17614 1257 1 2 . 1 1 18 18 ILE CB C 30 38.506 38.506 37.967 0.539 17614 1258 1 2 . 1 1 18 18 ILE H H 30 7.977 7.977 7.625 0.352 17614 1259 1 2 . 1 1 19 19 THR N N 31 113.314 113.314 113.854 -0.540 17614 1260 1 2 . 1 1 19 19 THR C C 31 174.045 174.045 175.202 -1.157 17614 1261 1 2 . 1 1 19 19 THR CA C 31 62.495 62.495 63.760 -1.264 17614 1262 1 2 . 1 1 19 19 THR CB C 31 69.898 69.898 70.123 -0.225 17614 1263 1 2 . 1 1 19 19 THR H H 31 7.738 7.738 7.293 0.445 17614 1264 1 2 . 1 1 20 20 PHE N N 32 123.409 123.409 123.701 -0.292 17614 1265 1 2 . 1 1 20 20 PHE CA C 32 56.349 56.349 62.333 -5.984 17614 1266 1 2 . 1 1 20 20 PHE CB C 32 39.148 39.148 37.004 2.144 17614 1267 1 2 . 1 1 20 20 PHE H H 32 7.609 7.609 8.855 -1.246 17614 1268 1 2 . 1 1 21 21 PRO C C 33 177.831 177.831 177.543 0.288 17614 1269 1 2 . 1 1 21 21 PRO CA C 33 62.656 62.656 65.147 -2.491 17614 1270 1 2 . 1 1 21 21 PRO CB C 33 34.762 34.762 31.216 3.546 17614 1271 1 2 . 1 1 22 22 LEU N N 34 124.503 124.503 118.321 6.182 17614 1272 1 2 . 1 1 22 22 LEU C C 34 176.298 176.298 178.013 -1.715 17614 1273 1 2 . 1 1 22 22 LEU CA C 34 55.545 55.545 57.403 -1.858 17614 1274 1 2 . 1 1 22 22 LEU CB C 34 43.287 43.287 42.036 1.251 17614 1275 1 2 . 1 1 22 22 LEU H H 34 8.659 8.659 7.319 1.340 17614 1276 1 2 . 1 1 23 23 ASP N N 35 121.663 121.663 117.833 3.830 17614 1277 1 2 . 1 1 23 23 ASP C C 35 177.152 177.152 178.059 -0.907 17614 1278 1 2 . 1 1 23 23 ASP CA C 35 54.326 54.326 57.139 -2.813 17614 1279 1 2 . 1 1 23 23 ASP CB C 35 41.154 41.154 40.623 0.531 17614 1280 1 2 . 1 1 23 23 ASP H H 35 8.236 8.236 7.535 0.701 17614 1281 1 2 . 1 1 24 24 THR N N 36 115.977 115.977 113.986 1.991 17614 1282 1 2 . 1 1 24 24 THR C C 36 177.088 177.088 175.803 1.285 17614 1283 1 2 . 1 1 24 24 THR CA C 36 64.868 64.868 65.233 -0.365 17614 1284 1 2 . 1 1 24 24 THR CB C 36 69.053 69.053 68.669 0.384 17614 1285 1 2 . 1 1 24 24 THR H H 36 8.127 8.127 7.898 0.229 17614 1286 1 2 . 1 1 25 25 ALA N N 37 125.063 125.063 122.234 2.829 17614 1287 1 2 . 1 1 25 25 ALA C C 37 179.143 179.143 179.079 0.064 17614 1288 1 2 . 1 1 25 25 ALA CA C 37 55.234 55.234 54.992 0.242 17614 1289 1 2 . 1 1 25 25 ALA CB C 37 18.735 18.735 18.369 0.366 17614 1290 1 2 . 1 1 25 25 ALA H H 37 8.042 8.042 7.682 0.360 17614 1291 1 2 . 1 1 26 26 LYS N N 38 117.827 117.827 117.492 0.335 17614 1292 1 2 . 1 1 26 26 LYS C C 38 178.239 178.239 178.233 0.006 17614 1293 1 2 . 1 1 26 26 LYS CA C 38 58.861 58.861 58.767 0.094 17614 1294 1 2 . 1 1 26 26 LYS CB C 38 32.724 32.724 31.922 0.802 17614 1295 1 2 . 1 1 26 26 LYS H H 38 7.759 7.759 7.506 0.253 17614 1296 1 2 . 1 1 27 27 VAL N N 39 118.955 118.955 117.829 1.126 17614 1297 1 2 . 1 1 27 27 VAL C C 39 177.892 177.892 178.180 -0.288 17614 1298 1 2 . 1 1 27 27 VAL CA C 39 65.478 65.478 64.971 0.507 17614 1299 1 2 . 1 1 27 27 VAL CB C 39 34.675 34.675 31.765 2.910 17614 1300 1 2 . 1 1 27 27 VAL H H 39 7.554 7.554 7.378 0.176 17614 1301 1 2 . 1 1 28 28 ARG N N 40 119.922 119.922 118.354 1.568 17614 1302 1 2 . 1 1 28 28 ARG C C 40 178.391 178.391 178.583 -0.192 17614 1303 1 2 . 1 1 28 28 ARG CA C 40 59.648 59.648 58.959 0.689 17614 1304 1 2 . 1 1 28 28 ARG CB C 40 29.933 29.933 30.216 -0.283 17614 1305 1 2 . 1 1 28 28 ARG H H 40 7.794 7.794 7.414 0.380 17614 1306 1 2 . 1 1 29 29 LEU N N 41 118.720 118.720 120.237 -1.517 17614 1307 1 2 . 1 1 29 29 LEU CA C 41 54.749 54.749 55.412 -0.663 17614 1308 1 2 . 1 1 29 29 LEU CB C 41 40.429 40.429 39.403 1.026 17614 1309 1 2 . 1 1 29 29 LEU H H 41 7.534 7.534 7.505 0.029 17614 1310 1 2 . 1 1 37 37 GLY C C 49 174.779 174.779 174.776 0.003 17614 1311 1 2 . 1 1 38 38 LEU N N 50 123.029 123.029 122.016 1.013 17614 1312 1 2 . 1 1 38 38 LEU C C 50 178.482 178.482 178.486 -0.004 17614 1313 1 2 . 1 1 38 38 LEU CA C 50 56.765 56.765 57.255 -0.490 17614 1314 1 2 . 1 1 38 38 LEU CB C 50 41.673 41.673 41.520 0.153 17614 1315 1 2 . 1 1 38 38 LEU H H 50 8.113 8.113 7.820 0.293 17614 1316 1 2 . 1 1 39 39 VAL N N 51 118.714 118.714 119.749 -1.035 17614 1317 1 2 . 1 1 39 39 VAL C C 51 178.032 178.032 177.684 0.348 17614 1318 1 2 . 1 1 39 39 VAL CA C 51 66.037 66.037 66.395 -0.358 17614 1319 1 2 . 1 1 39 39 VAL CB C 51 30.763 30.763 31.150 -0.387 17614 1320 1 2 . 1 1 39 39 VAL H H 51 7.974 7.974 7.587 0.387 17614 1321 1 2 . 1 1 40 40 ARG N N 52 121.569 121.569 117.019 4.550 17614 1322 1 2 . 1 1 40 40 ARG CA C 52 59.167 59.167 58.232 0.935 17614 1323 1 2 . 1 1 40 40 ARG CB C 52 29.437 29.437 29.712 -0.275 17614 1324 1 2 . 1 1 40 40 ARG H H 52 8.231 8.231 8.327 -0.096 17614 1325 1 2 . 1 1 41 41 THR C C 53 175.108 175.108 175.283 -0.175 17614 1326 1 2 . 1 1 41 41 THR H H 53 7.948 7.948 7.539 0.409 17614 1327 1 2 . 1 1 42 42 ALA N N 54 121.823 121.823 122.738 -0.915 17614 1328 1 2 . 1 1 42 42 ALA C C 54 174.922 174.922 175.975 -1.053 17614 1329 1 2 . 1 1 42 42 ALA CA C 54 50.101 50.101 51.043 -0.942 17614 1330 1 2 . 1 1 42 42 ALA CB C 54 18.950 18.950 20.298 -1.348 17614 1331 1 2 . 1 1 42 42 ALA H H 54 7.792 7.792 7.806 -0.014 17614 1332 1 2 . 1 1 43 43 ALA N N 55 113.986 113.986 117.662 -3.676 17614 1333 1 2 . 1 1 43 43 ALA C C 55 178.007 178.007 176.475 1.532 17614 1334 1 2 . 1 1 43 43 ALA CA C 55 53.458 53.458 52.202 1.256 17614 1335 1 2 . 1 1 43 43 ALA CB C 55 18.809 18.809 19.630 -0.821 17614 1336 1 2 . 1 1 43 43 ALA H H 55 7.333 7.333 8.244 -0.911 17614 1337 1 2 . 1 1 44 44 SER N N 56 125.425 125.425 114.883 10.542 17614 1338 1 2 . 1 1 44 44 SER C C 56 174.899 174.899 174.640 0.259 17614 1339 1 2 . 1 1 44 44 SER CA C 56 59.520 59.520 57.444 2.075 17614 1340 1 2 . 1 1 44 44 SER CB C 56 64.051 64.051 64.088 -0.037 17614 1341 1 2 . 1 1 44 44 SER H H 56 7.786 7.786 7.753 0.033 17614 1342 1 2 . 1 1 45 45 ALA N N 57 118.183 118.183 120.901 -2.718 17614 1343 1 2 . 1 1 45 45 ALA CA C 57 53.783 53.783 52.625 1.158 17614 1344 1 2 . 1 1 45 45 ALA CB C 57 17.599 17.599 18.035 -0.436 17614 1345 1 2 . 1 1 45 45 ALA H H 57 8.018 8.018 7.847 0.171 17614 1346 1 2 . 1 1 47 47 TYR C C 59 177.662 177.662 176.967 0.695 17614 1347 1 2 . 1 1 48 48 ARG N N 60 122.798 122.798 122.466 0.332 17614 1348 1 2 . 1 1 48 48 ARG C C 60 177.956 177.956 176.811 1.145 17614 1349 1 2 . 1 1 48 48 ARG CA C 60 58.711 58.711 57.748 0.963 17614 1350 1 2 . 1 1 48 48 ARG CB C 60 30.659 30.659 30.448 0.211 17614 1351 1 2 . 1 1 48 48 ARG H H 60 8.311 8.311 8.597 -0.286 17614 1352 1 2 . 1 1 49 49 GLY N N 61 109.033 109.033 108.124 0.909 17614 1353 1 2 . 1 1 49 49 GLY C C 61 176.064 176.064 175.306 0.758 17614 1354 1 2 . 1 1 49 49 GLY CA C 61 46.592 46.592 45.234 1.357 17614 1355 1 2 . 1 1 49 49 GLY H H 61 8.182 8.182 8.161 0.021 17614 1356 1 2 . 1 1 50 50 VAL N N 62 123.218 123.218 125.528 -2.310 17614 1357 1 2 . 1 1 50 50 VAL C C 62 177.540 177.540 177.219 0.321 17614 1358 1 2 . 1 1 50 50 VAL CA C 62 66.277 66.277 64.573 1.704 17614 1359 1 2 . 1 1 50 50 VAL CB C 62 32.355 32.355 32.279 0.076 17614 1360 1 2 . 1 1 50 50 VAL H H 62 8.105 8.105 8.425 -0.320 17614 1361 1 2 . 1 1 51 51 LEU N N 63 120.295 120.295 119.307 0.988 17614 1362 1 2 . 1 1 51 51 LEU C C 63 178.628 178.628 179.363 -0.735 17614 1363 1 2 . 1 1 51 51 LEU CA C 63 58.366 58.366 57.625 0.741 17614 1364 1 2 . 1 1 51 51 LEU CB C 63 41.675 41.675 40.309 1.366 17614 1365 1 2 . 1 1 51 51 LEU H H 63 8.182 8.182 8.391 -0.209 17614 1366 1 2 . 1 1 52 52 GLY N N 64 106.013 106.013 106.054 -0.041 17614 1367 1 2 . 1 1 52 52 GLY C C 64 176.531 176.531 176.288 0.243 17614 1368 1 2 . 1 1 52 52 GLY CA C 64 47.765 47.765 47.077 0.688 17614 1369 1 2 . 1 1 52 52 GLY H H 64 8.102 8.102 7.704 0.398 17614 1370 1 2 . 1 1 53 53 THR N N 65 120.842 120.842 119.575 1.267 17614 1371 1 2 . 1 1 53 53 THR C C 65 176.453 176.453 176.527 -0.074 17614 1372 1 2 . 1 1 53 53 THR CA C 65 67.140 67.140 66.358 0.782 17614 1373 1 2 . 1 1 53 53 THR CB C 65 69.161 69.161 68.893 0.268 17614 1374 1 2 . 1 1 53 53 THR H H 65 7.854 7.854 7.416 0.438 17614 1375 1 2 . 1 1 54 54 ILE N N 66 122.676 122.676 120.764 1.912 17614 1376 1 2 . 1 1 54 54 ILE C C 66 177.307 177.307 177.517 -0.210 17614 1377 1 2 . 1 1 54 54 ILE CA C 66 65.832 65.832 62.675 3.157 17614 1378 1 2 . 1 1 54 54 ILE CB C 66 38.090 38.090 36.562 1.528 17614 1379 1 2 . 1 1 54 54 ILE H H 66 8.018 8.018 7.456 0.562 17614 1380 1 2 . 1 1 55 55 LEU N N 67 119.838 119.838 118.599 1.239 17614 1381 1 2 . 1 1 55 55 LEU C C 67 178.706 178.706 178.880 -0.174 17614 1382 1 2 . 1 1 55 55 LEU CA C 67 58.491 58.491 58.102 0.389 17614 1383 1 2 . 1 1 55 55 LEU CB C 67 41.387 41.387 41.320 0.067 17614 1384 1 2 . 1 1 55 55 LEU H H 67 8.291 8.291 7.500 0.791 17614 1385 1 2 . 1 1 56 56 THR N N 68 115.362 115.362 115.126 0.236 17614 1386 1 2 . 1 1 56 56 THR C C 68 176.764 176.764 176.424 0.340 17614 1387 1 2 . 1 1 56 56 THR CA C 68 67.040 67.040 66.321 0.719 17614 1388 1 2 . 1 1 56 56 THR CB C 68 69.403 69.403 68.647 0.756 17614 1389 1 2 . 1 1 56 56 THR H H 68 7.963 7.963 7.257 0.706 17614 1390 1 2 . 1 1 57 57 MET N N 69 122.960 122.960 120.805 2.155 17614 1391 1 2 . 1 1 57 57 MET C C 69 177.153 177.153 177.652 -0.499 17614 1392 1 2 . 1 1 57 57 MET CA C 69 59.710 59.710 59.235 0.475 17614 1393 1 2 . 1 1 57 57 MET CB C 69 33.111 33.111 32.782 0.329 17614 1394 1 2 . 1 1 57 57 MET H H 69 7.977 7.977 7.616 0.361 17614 1395 1 2 . 1 1 58 58 VAL N N 70 119.558 119.558 114.651 4.907 17614 1396 1 2 . 1 1 58 58 VAL C C 70 176.841 176.841 177.877 -1.036 17614 1397 1 2 . 1 1 58 58 VAL CA C 70 66.277 66.277 64.191 2.086 17614 1398 1 2 . 1 1 58 58 VAL CB C 70 31.362 31.362 31.264 0.098 17614 1399 1 2 . 1 1 58 58 VAL H H 70 7.751 7.751 7.385 0.366 17614 1400 1 2 . 1 1 59 59 ARG N N 71 118.002 118.002 118.685 -0.683 17614 1401 1 2 . 1 1 59 59 ARG C C 71 177.152 177.152 177.832 -0.680 17614 1402 1 2 . 1 1 59 59 ARG CA C 71 58.761 58.761 58.402 0.359 17614 1403 1 2 . 1 1 59 59 ARG CB C 71 30.656 30.656 30.030 0.626 17614 1404 1 2 . 1 1 59 59 ARG H H 71 7.827 7.827 7.572 0.255 17614 1405 1 2 . 1 1 60 60 THR N N 72 111.410 111.410 114.771 -3.361 17614 1406 1 2 . 1 1 60 60 THR C C 72 175.288 175.288 175.675 -0.387 17614 1407 1 2 . 1 1 60 60 THR CA C 72 64.194 64.194 64.928 -0.734 17614 1408 1 2 . 1 1 60 60 THR CB C 72 70.312 70.312 69.028 1.284 17614 1409 1 2 . 1 1 60 60 THR H H 72 7.745 7.745 7.513 0.232 17614 1410 1 2 . 1 1 61 61 GLU N N 73 120.577 120.577 117.746 2.831 17614 1411 1 2 . 1 1 61 61 GLU C C 73 177.696 177.696 176.229 1.467 17614 1412 1 2 . 1 1 61 61 GLU CA C 73 57.363 57.363 55.538 1.825 17614 1413 1 2 . 1 1 61 61 GLU CB C 73 30.927 30.927 31.279 -0.352 17614 1414 1 2 . 1 1 61 61 GLU H H 73 8.263 8.263 8.161 0.102 17614 1415 1 2 . 1 1 62 62 GLY N N 74 108.209 108.209 108.646 -0.437 17614 1416 1 2 . 1 1 62 62 GLY CA C 74 45.593 45.593 44.483 1.110 17614 1417 1 2 . 1 1 62 62 GLY H H 74 7.841 7.841 7.318 0.523 17614 1418 1 2 . 1 1 63 63 PRO C C 75 177.152 177.152 178.552 -1.400 17614 1419 1 2 . 1 1 63 63 PRO CA C 75 65.652 65.652 64.719 0.933 17614 1420 1 2 . 1 1 63 63 PRO CB C 75 32.294 32.294 32.017 0.277 17614 1421 1 2 . 1 1 64 64 ARG N N 76 118.553 118.553 116.877 1.676 17614 1422 1 2 . 1 1 64 64 ARG C C 76 177.696 177.696 177.985 -0.289 17614 1423 1 2 . 1 1 64 64 ARG CA C 76 59.785 59.785 58.313 1.472 17614 1424 1 2 . 1 1 64 64 ARG CB C 76 29.671 29.671 29.073 0.598 17614 1425 1 2 . 1 1 64 64 ARG H H 76 8.427 8.427 8.670 -0.243 17614 1426 1 2 . 1 1 65 65 SER N N 77 115.323 115.323 114.465 0.858 17614 1427 1 2 . 1 1 65 65 SER C C 77 177.230 177.230 175.586 1.644 17614 1428 1 2 . 1 1 65 65 SER CA C 77 61.318 61.318 61.036 0.282 17614 1429 1 2 . 1 1 65 65 SER CB C 77 63.281 63.281 63.381 -0.100 17614 1430 1 2 . 1 1 65 65 SER H H 77 7.963 7.963 8.122 -0.159 17614 1431 1 2 . 1 1 66 66 LEU N N 78 122.598 122.598 120.624 1.974 17614 1432 1 2 . 1 1 66 66 LEU C C 78 177.696 177.696 177.333 0.363 17614 1433 1 2 . 1 1 66 66 LEU CA C 78 57.792 57.792 56.772 1.020 17614 1434 1 2 . 1 1 66 66 LEU CB C 78 42.202 42.202 42.472 -0.270 17614 1435 1 2 . 1 1 66 66 LEU H H 78 7.595 7.595 7.617 -0.022 17614 1436 1 2 . 1 1 67 67 TYR N N 79 119.276 119.276 112.754 6.522 17614 1437 1 2 . 1 1 67 67 TYR C C 79 176.142 176.142 175.516 0.626 17614 1438 1 2 . 1 1 67 67 TYR CA C 79 60.792 60.792 57.800 2.992 17614 1439 1 2 . 1 1 67 67 TYR CB C 79 38.687 38.687 38.606 0.081 17614 1440 1 2 . 1 1 67 67 TYR H H 79 7.868 7.868 7.571 0.297 17614 1441 1 2 . 1 1 68 68 ASN N N 80 117.249 117.249 118.694 -1.445 17614 1442 1 2 . 1 1 68 68 ASN C C 80 178.472 178.472 175.735 2.737 17614 1443 1 2 . 1 1 68 68 ASN CA C 80 53.024 53.024 53.968 -0.944 17614 1444 1 2 . 1 1 68 68 ASN CB C 80 37.946 37.946 38.694 -0.748 17614 1445 1 2 . 1 1 68 68 ASN H H 80 8.374 8.374 7.571 0.803 17614 1446 1 2 . 1 1 69 69 GLY N N 81 108.575 108.575 113.785 -5.210 17614 1447 1 2 . 1 1 69 69 GLY C C 81 175.521 175.521 175.257 0.264 17614 1448 1 2 . 1 1 69 69 GLY CA C 81 46.266 46.266 45.624 0.642 17614 1449 1 2 . 1 1 69 69 GLY H H 81 8.086 8.086 8.655 -0.569 17614 1450 1 2 . 1 1 70 70 LEU N N 82 124.326 124.326 122.368 1.958 17614 1451 1 2 . 1 1 70 70 LEU C C 82 178.239 178.239 177.739 0.500 17614 1452 1 2 . 1 1 70 70 LEU CA C 82 58.217 58.217 57.413 0.803 17614 1453 1 2 . 1 1 70 70 LEU CB C 82 42.351 42.351 41.998 0.353 17614 1454 1 2 . 1 1 70 70 LEU H H 82 7.991 7.991 7.423 0.568 17614 1455 1 2 . 1 1 71 71 VAL N N 83 117.727 117.727 117.953 -0.226 17614 1456 1 2 . 1 1 71 71 VAL C C 83 177.851 177.851 177.024 0.827 17614 1457 1 2 . 1 1 71 71 VAL CA C 83 64.113 64.113 64.635 -0.522 17614 1458 1 2 . 1 1 71 71 VAL CB C 83 31.924 31.924 30.972 0.952 17614 1459 1 2 . 1 1 71 71 VAL H H 83 8.004 8.004 8.271 -0.267 17614 1460 1 2 . 1 1 72 72 ALA N N 84 121.414 121.414 121.788 -0.374 17614 1461 1 2 . 1 1 72 72 ALA C C 84 180.570 180.570 179.723 0.847 17614 1462 1 2 . 1 1 72 72 ALA CA C 84 55.031 55.031 54.634 0.397 17614 1463 1 2 . 1 1 72 72 ALA CB C 84 18.286 18.286 18.405 -0.119 17614 1464 1 2 . 1 1 72 72 ALA H H 84 7.677 7.677 7.287 0.390 17614 1465 1 2 . 1 1 73 73 GLY N N 85 106.471 106.471 107.283 -0.812 17614 1466 1 2 . 1 1 73 73 GLY C C 85 175.521 175.521 176.047 -0.526 17614 1467 1 2 . 1 1 73 73 GLY CA C 85 47.191 47.191 46.532 0.659 17614 1468 1 2 . 1 1 73 73 GLY H H 85 7.963 7.963 7.609 0.354 17614 1469 1 2 . 1 1 74 74 LEU N N 86 122.326 122.326 121.570 0.756 17614 1470 1 2 . 1 1 74 74 LEU C C 86 178.239 178.239 178.935 -0.696 17614 1471 1 2 . 1 1 74 74 LEU CA C 86 57.493 57.493 57.062 0.431 17614 1472 1 2 . 1 1 74 74 LEU CB C 86 42.202 42.202 41.588 0.614 17614 1473 1 2 . 1 1 74 74 LEU H H 86 8.100 8.100 7.323 0.777 17614 1474 1 2 . 1 1 75 75 GLN N N 87 117.736 117.736 117.777 -0.041 17614 1475 1 2 . 1 1 75 75 GLN C C 87 177.340 177.340 177.808 -0.468 17614 1476 1 2 . 1 1 75 75 GLN CA C 87 57.787 57.787 58.653 -0.866 17614 1477 1 2 . 1 1 75 75 GLN CB C 87 28.942 28.942 28.053 0.889 17614 1478 1 2 . 1 1 75 75 GLN H H 87 8.004 8.004 7.800 0.204 17614 1479 1 2 . 1 1 76 76 ARG N N 88 118.107 118.107 118.952 -0.845 17614 1480 1 2 . 1 1 76 76 ARG C C 88 177.930 177.930 178.726 -0.796 17614 1481 1 2 . 1 1 76 76 ARG CA C 88 58.062 58.062 59.779 -1.717 17614 1482 1 2 . 1 1 76 76 ARG CB C 88 30.774 30.774 29.910 0.864 17614 1483 1 2 . 1 1 76 76 ARG H H 88 7.568 7.568 7.395 0.173 17614 1484 1 2 . 1 1 77 77 GLN N N 89 117.921 117.921 118.051 -0.130 17614 1485 1 2 . 1 1 77 77 GLN C C 89 177.375 177.375 178.455 -1.080 17614 1486 1 2 . 1 1 77 77 GLN CA C 89 56.838 56.838 58.182 -1.344 17614 1487 1 2 . 1 1 77 77 GLN CB C 89 29.006 29.006 28.114 0.892 17614 1488 1 2 . 1 1 77 77 GLN H H 89 7.827 7.827 7.520 0.307 17614 1489 1 2 . 1 1 78 78 MET N N 90 118.378 118.378 118.589 -0.211 17614 1490 1 2 . 1 1 78 78 MET C C 90 176.365 176.365 178.395 -2.030 17614 1491 1 2 . 1 1 78 78 MET CA C 90 56.339 56.339 57.067 -0.728 17614 1492 1 2 . 1 1 78 78 MET CB C 90 33.444 33.444 31.786 1.658 17614 1493 1 2 . 1 1 78 78 MET H H 90 7.963 7.963 8.385 -0.422 17614 1494 1 2 . 1 1 79 79 SER N N 91 115.089 115.089 115.560 -0.471 17614 1495 1 2 . 1 1 79 79 SER C C 91 175.899 175.899 177.144 -1.245 17614 1496 1 2 . 1 1 79 79 SER CA C 91 58.621 58.621 61.136 -2.515 17614 1497 1 2 . 1 1 79 79 SER CB C 91 64.337 64.337 63.046 1.291 17614 1498 1 2 . 1 1 79 79 SER H H 91 7.868 7.868 7.779 0.089 17614 1499 1 2 . 1 1 80 80 PHE N N 92 122.852 122.852 124.463 -1.611 17614 1500 1 2 . 1 1 80 80 PHE C C 92 177.375 177.375 176.629 0.746 17614 1501 1 2 . 1 1 80 80 PHE CA C 92 59.095 59.095 61.201 -2.106 17614 1502 1 2 . 1 1 80 80 PHE CB C 92 38.937 38.937 38.888 0.049 17614 1503 1 2 . 1 1 80 80 PHE H H 92 8.332 8.332 7.604 0.728 17614 1504 1 2 . 1 1 81 81 ALA N N 93 123.258 123.258 120.184 3.074 17614 1505 1 2 . 1 1 81 81 ALA C C 93 178.628 178.628 179.019 -0.391 17614 1506 1 2 . 1 1 81 81 ALA CA C 93 54.881 54.881 54.524 0.357 17614 1507 1 2 . 1 1 81 81 ALA CB C 93 17.902 17.902 18.333 -0.431 17614 1508 1 2 . 1 1 81 81 ALA H H 93 8.223 8.223 7.726 0.497 17614 1509 1 2 . 1 1 82 82 SER N N 94 112.886 112.886 115.601 -2.715 17614 1510 1 2 . 1 1 82 82 SER C C 94 176.831 176.831 177.158 -0.327 17614 1511 1 2 . 1 1 82 82 SER CA C 94 60.319 60.319 61.059 -0.740 17614 1512 1 2 . 1 1 82 82 SER CB C 94 63.611 63.611 63.368 0.243 17614 1513 1 2 . 1 1 82 82 SER H H 94 7.977 7.977 7.757 0.220 17614 1514 1 2 . 1 1 83 83 VAL N N 95 121.854 121.854 118.953 2.901 17614 1515 1 2 . 1 1 83 83 VAL C C 95 176.220 176.220 176.806 -0.586 17614 1516 1 2 . 1 1 83 83 VAL CA C 95 64.629 64.629 65.168 -0.539 17614 1517 1 2 . 1 1 83 83 VAL CB C 95 31.328 31.328 30.534 0.794 17614 1518 1 2 . 1 1 83 83 VAL H H 95 7.581 7.581 8.284 -0.703 17614 1519 1 2 . 1 1 84 84 ARG N N 96 121.329 121.329 119.195 2.134 17614 1520 1 2 . 1 1 84 84 ARG C C 96 176.814 176.814 177.036 -0.222 17614 1521 1 2 . 1 1 84 84 ARG CA C 96 58.636 58.636 57.633 1.003 17614 1522 1 2 . 1 1 84 84 ARG CB C 96 30.672 30.672 29.321 1.351 17614 1523 1 2 . 1 1 84 84 ARG H H 96 7.936 7.936 7.261 0.675 17614 1524 1 2 . 1 1 85 85 ILE N N 97 119.194 119.194 118.136 1.058 17614 1525 1 2 . 1 1 85 85 ILE C C 97 177.152 177.152 176.161 0.991 17614 1526 1 2 . 1 1 85 85 ILE CA C 97 63.296 63.296 62.181 1.115 17614 1527 1 2 . 1 1 85 85 ILE CB C 97 38.757 38.757 38.714 0.043 17614 1528 1 2 . 1 1 85 85 ILE H H 97 7.802 7.802 7.542 0.260 17614 1529 1 2 . 1 1 86 86 GLY N N 98 109.857 109.857 107.978 1.879 17614 1530 1 2 . 1 1 86 86 GLY C C 98 176.064 176.064 175.030 1.034 17614 1531 1 2 . 1 1 86 86 GLY CA C 98 46.941 46.941 46.219 0.722 17614 1532 1 2 . 1 1 86 86 GLY H H 98 8.127 8.127 7.741 0.386 17614 1533 1 2 . 1 1 87 87 LEU N N 99 123.258 123.258 123.296 -0.038 17614 1534 1 2 . 1 1 87 87 LEU C C 99 177.856 177.856 177.940 -0.084 17614 1535 1 2 . 1 1 87 87 LEU CA C 99 58.264 58.264 56.770 1.494 17614 1536 1 2 . 1 1 87 87 LEU CB C 99 42.488 42.488 41.463 1.025 17614 1537 1 2 . 1 1 87 87 LEU H H 99 8.223 8.223 8.229 -0.006 17614 1538 1 2 . 1 1 88 88 TYR N N 100 119.770 119.770 120.188 -0.418 17614 1539 1 2 . 1 1 88 88 TYR C C 100 176.997 176.997 176.703 0.294 17614 1540 1 2 . 1 1 88 88 TYR CA C 100 61.592 61.592 61.274 0.318 17614 1541 1 2 . 1 1 88 88 TYR CB C 100 38.809 38.809 37.791 1.018 17614 1542 1 2 . 1 1 88 88 TYR H H 100 8.207 8.207 7.913 0.294 17614 1543 1 2 . 1 1 89 89 ASP N N 101 118.460 118.460 118.369 0.091 17614 1544 1 2 . 1 1 89 89 ASP C C 101 178.939 178.939 178.366 0.573 17614 1545 1 2 . 1 1 89 89 ASP CA C 101 57.797 57.797 56.484 1.313 17614 1546 1 2 . 1 1 89 89 ASP CB C 101 40.498 40.498 40.046 0.452 17614 1547 1 2 . 1 1 89 89 ASP H H 101 8.401 8.401 8.192 0.209 17614 1548 1 2 . 1 1 90 90 SER N N 102 116.022 116.022 114.937 1.085 17614 1549 1 2 . 1 1 90 90 SER C C 102 176.005 176.005 176.213 -0.208 17614 1550 1 2 . 1 1 90 90 SER CA C 102 62.791 62.791 61.470 1.321 17614 1551 1 2 . 1 1 90 90 SER CB C 102 64.211 64.211 63.372 0.839 17614 1552 1 2 . 1 1 90 90 SER H H 102 7.854 7.854 7.495 0.359 17614 1553 1 2 . 1 1 91 91 VAL N N 103 120.844 120.844 120.593 0.251 17614 1554 1 2 . 1 1 91 91 VAL C C 103 177.307 177.307 177.367 -0.060 17614 1555 1 2 . 1 1 91 91 VAL CA C 103 66.510 66.510 64.749 1.762 17614 1556 1 2 . 1 1 91 91 VAL CB C 103 31.965 31.965 31.816 0.149 17614 1557 1 2 . 1 1 91 91 VAL H H 103 7.926 7.926 7.624 0.302 17614 1558 1 2 . 1 1 92 92 LYS N N 104 120.468 120.468 119.847 0.621 17614 1559 1 2 . 1 1 92 92 LYS C C 104 178.861 178.861 178.901 -0.040 17614 1560 1 2 . 1 1 92 92 LYS CA C 104 60.184 60.184 59.965 0.219 17614 1561 1 2 . 1 1 92 92 LYS CB C 104 31.979 31.979 32.267 -0.288 17614 1562 1 2 . 1 1 92 92 LYS H H 104 8.127 8.127 7.834 0.293 17614 1563 1 2 . 1 1 93 93 GLN N N 105 118.386 118.386 117.237 1.149 17614 1564 1 2 . 1 1 93 93 GLN C C 105 177.540 177.540 177.561 -0.021 17614 1565 1 2 . 1 1 93 93 GLN CA C 105 58.786 58.786 57.669 1.117 17614 1566 1 2 . 1 1 93 93 GLN CB C 105 28.377 28.377 28.750 -0.373 17614 1567 1 2 . 1 1 93 93 GLN H H 105 7.841 7.841 7.583 0.258 17614 1568 1 2 . 1 1 94 94 PHE N N 106 119.471 119.471 117.854 1.617 17614 1569 1 2 . 1 1 94 94 PHE C C 106 176.531 176.531 175.279 1.252 17614 1570 1 2 . 1 1 94 94 PHE CA C 106 60.593 60.593 60.002 0.591 17614 1571 1 2 . 1 1 94 94 PHE CB C 106 39.459 39.459 39.229 0.230 17614 1572 1 2 . 1 1 94 94 PHE H H 106 7.772 7.772 7.634 0.138 17614 1573 1 2 . 1 1 95 95 TYR N N 107 118.288 118.288 113.853 4.435 17614 1574 1 2 . 1 1 95 95 TYR C C 107 176.220 176.220 176.426 -0.206 17614 1575 1 2 . 1 1 95 95 TYR CA C 107 60.543 60.543 58.848 1.695 17614 1576 1 2 . 1 1 95 95 TYR CB C 107 38.819 38.819 39.915 -1.096 17614 1577 1 2 . 1 1 95 95 TYR H H 107 8.045 8.045 7.383 0.662 17614 1578 1 2 . 1 1 96 96 THR N N 108 113.383 113.383 112.747 0.636 17614 1579 1 2 . 1 1 96 96 THR C C 108 175.288 175.288 173.984 1.304 17614 1580 1 2 . 1 1 96 96 THR CA C 108 64.094 64.094 61.290 2.804 17614 1581 1 2 . 1 1 96 96 THR CB C 108 69.986 69.986 68.936 1.050 17614 1582 1 2 . 1 1 96 96 THR H H 108 7.868 7.868 7.614 0.254 17614 1583 1 2 . 1 1 101 101 HIS C C 113 173.413 173.413 173.898 -0.485 17614 1584 1 2 . 1 1 101 101 HIS H H 113 7.968 7.968 8.832 -0.864 17614 1585 1 2 . 1 1 102 102 ALA N N 114 119.456 119.456 122.267 -2.811 17614 1586 1 2 . 1 1 102 102 ALA C C 114 177.851 177.851 175.904 1.947 17614 1587 1 2 . 1 1 102 102 ALA CA C 114 53.283 53.283 51.898 1.385 17614 1588 1 2 . 1 1 102 102 ALA CB C 114 19.362 19.362 18.912 0.450 17614 1589 1 2 . 1 1 102 102 ALA H H 114 8.433 8.433 8.328 0.105 17614 1590 1 2 . 1 1 103 103 GLY N N 115 108.484 108.484 104.565 3.919 17614 1591 1 2 . 1 1 103 103 GLY C C 115 174.822 174.822 174.969 -0.147 17614 1592 1 2 . 1 1 103 103 GLY CA C 115 45.968 45.968 45.212 0.756 17614 1593 1 2 . 1 1 103 103 GLY H H 115 8.250 8.250 8.095 0.155 17614 1594 1 2 . 1 1 104 104 ILE N N 116 121.139 121.139 121.507 -0.368 17614 1595 1 2 . 1 1 104 104 ILE C C 116 176.841 176.841 177.757 -0.916 17614 1596 1 2 . 1 1 104 104 ILE CA C 116 63.160 63.160 63.376 -0.216 17614 1597 1 2 . 1 1 104 104 ILE CB C 116 38.853 38.853 37.248 1.605 17614 1598 1 2 . 1 1 104 104 ILE H H 116 8.127 8.127 8.102 0.025 17614 1599 1 2 . 1 1 105 105 GLY N N 117 110.863 110.863 107.060 3.803 17614 1600 1 2 . 1 1 105 105 GLY C C 117 174.588 174.588 176.638 -2.050 17614 1601 1 2 . 1 1 105 105 GLY CA C 117 46.791 46.791 47.303 -0.512 17614 1602 1 2 . 1 1 105 105 GLY H H 117 8.509 8.509 8.412 0.097 17614 1603 1 2 . 1 1 106 106 SER N N 118 116.069 116.069 117.862 -1.793 17614 1604 1 2 . 1 1 106 106 SER C C 118 175.754 175.754 176.952 -1.198 17614 1605 1 2 . 1 1 106 106 SER CA C 118 60.319 60.319 61.167 -0.848 17614 1606 1 2 . 1 1 106 106 SER CB C 118 63.864 63.864 62.648 1.216 17614 1607 1 2 . 1 1 106 106 SER H H 118 7.991 7.991 8.004 -0.013 17614 1608 1 2 . 1 1 107 107 ARG N N 119 122.134 122.134 120.850 1.284 17614 1609 1 2 . 1 1 107 107 ARG C C 119 178.228 178.228 178.912 -0.684 17614 1610 1 2 . 1 1 107 107 ARG CA C 119 57.787 57.787 59.572 -1.785 17614 1611 1 2 . 1 1 107 107 ARG CB C 119 30.549 30.549 30.045 0.504 17614 1612 1 2 . 1 1 107 107 ARG H H 119 7.963 7.963 8.225 -0.262 17614 1613 1 2 . 1 1 108 108 LEU N N 120 120.403 120.403 120.682 -0.279 17614 1614 1 2 . 1 1 108 108 LEU C C 120 177.230 177.230 179.103 -1.873 17614 1615 1 2 . 1 1 108 108 LEU CA C 120 57.967 57.967 58.013 -0.046 17614 1616 1 2 . 1 1 108 108 LEU CB C 120 42.146 42.146 41.669 0.477 17614 1617 1 2 . 1 1 108 108 LEU H H 120 7.914 7.914 7.594 0.320 17614 1618 1 2 . 1 1 109 109 LEU N N 121 118.960 118.960 119.425 -0.465 17614 1619 1 2 . 1 1 109 109 LEU C C 121 177.152 177.152 179.241 -2.089 17614 1620 1 2 . 1 1 109 109 LEU CA C 121 55.495 55.495 58.054 -2.559 17614 1621 1 2 . 1 1 109 109 LEU CB C 121 42.238 42.238 41.274 0.964 17614 1622 1 2 . 1 1 109 109 LEU H H 121 7.718 7.718 8.176 -0.458 17614 1623 1 2 . 1 1 110 110 ALA N N 122 123.063 123.063 121.464 1.599 17614 1624 1 2 . 1 1 110 110 ALA C C 122 178.317 178.317 179.908 -1.591 17614 1625 1 2 . 1 1 110 110 ALA CA C 122 53.358 53.358 55.521 -2.163 17614 1626 1 2 . 1 1 110 110 ALA CB C 122 19.218 19.218 17.969 1.249 17614 1627 1 2 . 1 1 110 110 ALA H H 122 7.745 7.745 8.786 -1.041 17614 1628 1 2 . 1 1 111 111 GLY N N 123 107.843 107.843 106.579 1.264 17614 1629 1 2 . 1 1 111 111 GLY C C 123 176.912 176.912 176.390 0.522 17614 1630 1 2 . 1 1 111 111 GLY CA C 123 45.943 45.943 47.079 -1.136 17614 1631 1 2 . 1 1 111 111 GLY H H 123 8.113 8.113 8.870 -0.757 17614 1632 1 2 . 1 1 112 112 SER N N 124 116.105 116.105 116.766 -0.661 17614 1633 1 2 . 1 1 112 112 SER C C 124 175.574 175.574 176.866 -1.292 17614 1634 1 2 . 1 1 112 112 SER CA C 124 59.145 59.145 61.616 -2.471 17614 1635 1 2 . 1 1 112 112 SER CB C 124 64.211 64.211 63.136 1.075 17614 1636 1 2 . 1 1 112 112 SER H H 124 8.109 8.109 8.558 -0.449 17614 1637 1 2 . 1 1 113 113 THR N N 125 116.069 116.069 118.401 -2.332 17614 1638 1 2 . 1 1 113 113 THR C C 125 176.055 176.055 176.688 -0.633 17614 1639 1 2 . 1 1 113 113 THR CA C 125 66.921 66.921 66.744 0.177 17614 1640 1 2 . 1 1 113 113 THR CB C 125 69.682 69.682 68.655 1.027 17614 1641 1 2 . 1 1 113 113 THR H H 125 8.086 8.086 8.351 -0.265 17614 1642 1 2 . 1 1 114 114 THR N N 126 115.439 115.439 117.318 -1.879 17614 1643 1 2 . 1 1 114 114 THR C C 126 177.443 177.443 176.518 0.925 17614 1644 1 2 . 1 1 114 114 THR CA C 126 65.285 65.285 66.229 -0.944 17614 1645 1 2 . 1 1 114 114 THR CB C 126 68.364 68.364 68.294 0.070 17614 1646 1 2 . 1 1 114 114 THR H H 126 7.977 7.977 8.404 -0.427 17614 1647 1 2 . 1 1 115 115 GLY N N 127 115.453 115.453 108.286 7.167 17614 1648 1 2 . 1 1 115 115 GLY C C 127 174.215 174.215 175.093 -0.878 17614 1649 1 2 . 1 1 115 115 GLY CA C 127 46.117 46.117 46.934 -0.817 17614 1650 1 2 . 1 1 115 115 GLY H H 127 8.168 8.168 8.079 0.090 17614 1651 1 2 . 1 1 116 116 ALA N N 128 123.952 123.952 124.594 -0.642 17614 1652 1 2 . 1 1 116 116 ALA C C 128 178.162 178.162 179.603 -1.441 17614 1653 1 2 . 1 1 116 116 ALA CA C 128 53.349 53.349 54.728 -1.379 17614 1654 1 2 . 1 1 116 116 ALA CB C 128 19.099 19.099 18.345 0.754 17614 1655 1 2 . 1 1 116 116 ALA H H 128 7.919 7.919 7.500 0.419 17614 1656 1 2 . 1 1 117 117 LEU N N 129 120.025 120.025 119.392 0.633 17614 1657 1 2 . 1 1 117 117 LEU C C 129 177.949 177.949 178.498 -0.549 17614 1658 1 2 . 1 1 117 117 LEU CA C 129 56.019 56.019 57.443 -1.424 17614 1659 1 2 . 1 1 117 117 LEU CB C 129 42.340 42.340 41.786 0.554 17614 1660 1 2 . 1 1 117 117 LEU H H 129 7.936 7.936 7.491 0.445 17614 1661 1 2 . 1 1 118 118 ALA N N 130 123.402 123.402 121.031 2.371 17614 1662 1 2 . 1 1 118 118 ALA C C 130 177.929 177.929 179.350 -1.421 17614 1663 1 2 . 1 1 118 118 ALA CA C 130 53.283 53.283 55.012 -1.729 17614 1664 1 2 . 1 1 118 118 ALA CB C 130 18.964 18.964 18.373 0.591 17614 1665 1 2 . 1 1 118 118 ALA H H 130 7.868 7.868 8.062 -0.194 17614 1666 1 2 . 1 1 119 119 VAL N N 131 118.111 118.111 118.688 -0.577 17614 1667 1 2 . 1 1 119 119 VAL C C 131 176.025 176.025 177.323 -1.298 17614 1668 1 2 . 1 1 119 119 VAL CA C 131 63.180 63.180 64.424 -1.244 17614 1669 1 2 . 1 1 119 119 VAL CB C 131 32.898 32.898 31.457 1.441 17614 1670 1 2 . 1 1 119 119 VAL H H 131 7.636 7.636 7.978 -0.342 17614 1671 1 2 . 1 1 120 120 ALA N N 132 124.047 124.047 121.700 2.347 17614 1672 1 2 . 1 1 120 120 ALA C C 132 179.008 179.008 178.887 0.121 17614 1673 1 2 . 1 1 120 120 ALA CA C 132 53.707 53.707 54.719 -1.012 17614 1674 1 2 . 1 1 120 120 ALA CB C 132 19.150 19.150 18.573 0.577 17614 1675 1 2 . 1 1 120 120 ALA H H 132 7.911 7.911 7.469 0.442 17614 1676 1 2 . 1 1 121 121 VAL N N 133 113.349 113.349 118.377 -5.028 17614 1677 1 2 . 1 1 121 121 VAL C C 133 175.527 175.527 176.249 -0.722 17614 1678 1 2 . 1 1 121 121 VAL CA C 133 64.115 64.115 63.117 0.997 17614 1679 1 2 . 1 1 121 121 VAL CB C 133 31.832 31.832 32.627 -0.795 17614 1680 1 2 . 1 1 121 121 VAL H H 133 7.094 7.094 7.564 -0.470 17614 1681 1 2 . 1 1 122 122 ALA N N 134 123.224 123.224 120.384 2.840 17614 1682 1 2 . 1 1 122 122 ALA CA C 134 55.493 55.493 51.659 3.834 17614 1683 1 2 . 1 1 122 122 ALA H H 134 7.586 7.586 7.500 0.086 17614 1684 1 2 . 1 1 124 124 PRO C C 136 177.074 177.074 178.532 -1.458 17614 1685 1 2 . 1 1 125 125 THR N N 137 113.281 113.281 108.317 4.964 17614 1686 1 2 . 1 1 125 125 THR C C 137 174.485 174.485 176.499 -2.014 17614 1687 1 2 . 1 1 125 125 THR CA C 137 64.496 64.496 66.115 -1.619 17614 1688 1 2 . 1 1 125 125 THR CB C 137 69.997 69.997 68.201 1.796 17614 1689 1 2 . 1 1 125 125 THR H H 137 7.963 7.963 8.237 -0.274 17614 1690 1 2 . 1 1 126 126 ASP N N 138 122.770 122.770 122.495 0.275 17614 1691 1 2 . 1 1 126 126 ASP C C 138 178.458 178.458 178.444 0.014 17614 1692 1 2 . 1 1 126 126 ASP CA C 138 56.776 56.776 56.929 -0.153 17614 1693 1 2 . 1 1 126 126 ASP CB C 138 41.023 41.023 40.803 0.219 17614 1694 1 2 . 1 1 126 126 ASP H H 138 8.094 8.094 7.731 0.363 17614 1695 1 2 . 1 1 127 127 VAL N N 139 119.931 119.931 120.064 -0.133 17614 1696 1 2 . 1 1 127 127 VAL C C 139 177.502 177.502 178.187 -0.685 17614 1697 1 2 . 1 1 127 127 VAL CA C 139 66.455 66.455 66.442 0.013 17614 1698 1 2 . 1 1 127 127 VAL CB C 139 32.804 32.804 31.954 0.850 17614 1699 1 2 . 1 1 127 127 VAL H H 139 7.753 7.753 7.798 -0.045 17614 1700 1 2 . 1 1 128 128 VAL N N 140 120.539 120.539 120.281 0.258 17614 1701 1 2 . 1 1 128 128 VAL C C 140 176.232 176.232 177.857 -1.625 17614 1702 1 2 . 1 1 128 128 VAL CA C 140 66.770 66.770 66.783 -0.013 17614 1703 1 2 . 1 1 128 128 VAL CB C 140 32.086 32.086 31.315 0.771 17614 1704 1 2 . 1 1 128 128 VAL H H 140 8.295 8.295 8.200 0.095 17614 1705 1 2 . 1 1 129 129 LYS N N 141 120.122 120.122 120.583 -0.461 17614 1706 1 2 . 1 1 129 129 LYS C C 141 176.120 176.120 179.314 -3.194 17614 1707 1 2 . 1 1 129 129 LYS CA C 141 55.991 55.991 60.003 -4.012 17614 1708 1 2 . 1 1 129 129 LYS CB C 141 31.712 31.712 32.240 -0.528 17614 1709 1 2 . 1 1 129 129 LYS H H 141 7.698 7.698 7.874 -0.176 17614 1710 1 2 . 1 1 130 130 VAL N N 142 120.104 120.104 119.287 0.817 17614 1711 1 2 . 1 1 130 130 VAL CA C 142 63.230 63.230 66.354 -3.124 17614 1712 1 2 . 1 1 130 130 VAL H H 142 7.772 7.772 7.548 0.224 17614 1713 1 2 . 1 1 131 131 ARG C C 143 178.401 178.401 178.724 -0.323 17614 1714 1 2 . 1 1 131 131 ARG H H 143 7.999 7.999 7.674 0.325 17614 1715 1 2 . 1 1 132 132 PHE N N 144 120.445 120.445 119.994 0.451 17614 1716 1 2 . 1 1 132 132 PHE C C 144 177.856 177.856 176.423 1.433 17614 1717 1 2 . 1 1 132 132 PHE CA C 144 61.438 61.438 60.959 0.479 17614 1718 1 2 . 1 1 132 132 PHE H H 144 8.395 8.395 8.453 -0.058 17614 1719 1 2 . 1 1 133 133 GLN N N 145 124.180 124.180 118.063 6.117 17614 1720 1 2 . 1 1 133 133 GLN C C 145 174.844 174.844 177.244 -2.400 17614 1721 1 2 . 1 1 133 133 GLN CA C 145 56.414 56.414 57.917 -1.503 17614 1722 1 2 . 1 1 133 133 GLN CB C 145 30.721 30.721 29.249 1.472 17614 1723 1 2 . 1 1 133 133 GLN H H 145 8.094 8.094 7.815 0.279 17614 1724 1 2 . 1 1 134 134 ALA N N 146 120.452 120.452 120.113 0.339 17614 1725 1 2 . 1 1 134 134 ALA C C 146 177.929 177.929 177.706 0.223 17614 1726 1 2 . 1 1 134 134 ALA CA C 146 53.483 53.483 53.334 0.149 17614 1727 1 2 . 1 1 134 134 ALA CB C 146 18.431 18.431 19.017 -0.586 17614 1728 1 2 . 1 1 134 134 ALA H H 146 7.939 7.939 7.366 0.573 17614 1729 1 2 . 1 1 135 135 GLN N N 147 119.388 119.388 118.572 0.816 17614 1730 1 2 . 1 1 135 135 GLN C C 147 176.029 176.029 175.045 0.984 17614 1731 1 2 . 1 1 135 135 GLN CA C 147 56.339 56.339 56.215 0.124 17614 1732 1 2 . 1 1 135 135 GLN CB C 147 29.444 29.444 28.039 1.405 17614 1733 1 2 . 1 1 135 135 GLN H H 147 8.072 8.072 7.449 0.623 17614 1734 1 2 . 1 1 136 136 ALA N N 148 125.199 125.199 128.022 -2.823 17614 1735 1 2 . 1 1 136 136 ALA C C 148 177.766 177.766 177.622 0.144 17614 1736 1 2 . 1 1 136 136 ALA CA C 148 53.108 53.108 52.225 0.883 17614 1737 1 2 . 1 1 136 136 ALA CB C 148 19.151 19.151 19.292 -0.141 17614 1738 1 2 . 1 1 136 136 ALA H H 148 8.055 8.055 8.199 -0.144 17614 1739 1 2 . 1 1 137 137 ARG N N 149 120.208 120.208 120.503 -0.295 17614 1740 1 2 . 1 1 137 137 ARG CA C 149 56.414 56.414 55.946 0.468 17614 1741 1 2 . 1 1 137 137 ARG CB C 149 30.749 30.749 30.533 0.216 17614 1742 1 2 . 1 1 137 137 ARG H H 149 8.018 8.018 8.077 -0.059 17614 1743 1 2 . 1 1 147 147 THR C C 159 175.928 175.928 176.105 -0.177 17614 1744 1 2 . 1 1 148 148 VAL N N 160 118.321 118.321 120.944 -2.623 17614 1745 1 2 . 1 1 148 148 VAL C C 160 177.749 177.749 177.841 -0.092 17614 1746 1 2 . 1 1 148 148 VAL CA C 160 64.126 64.126 66.654 -2.528 17614 1747 1 2 . 1 1 148 148 VAL CB C 160 31.343 31.343 31.448 -0.105 17614 1748 1 2 . 1 1 148 148 VAL H H 160 8.073 8.073 8.217 -0.144 17614 1749 1 2 . 1 1 149 149 GLU N N 161 122.379 122.379 119.685 2.694 17614 1750 1 2 . 1 1 149 149 GLU C C 161 178.783 178.783 179.018 -0.235 17614 1751 1 2 . 1 1 149 149 GLU CA C 161 59.550 59.550 59.517 0.033 17614 1752 1 2 . 1 1 149 149 GLU CB C 161 29.597 29.597 29.305 0.292 17614 1753 1 2 . 1 1 149 149 GLU H H 161 8.204 8.204 8.656 -0.452 17614 1754 1 2 . 1 1 150 150 ALA N N 162 122.845 122.845 123.509 -0.664 17614 1755 1 2 . 1 1 150 150 ALA C C 162 179.948 179.948 179.319 0.629 17614 1756 1 2 . 1 1 150 150 ALA CA C 162 55.181 55.181 55.155 0.026 17614 1757 1 2 . 1 1 150 150 ALA CB C 162 18.154 18.154 18.581 -0.427 17614 1758 1 2 . 1 1 150 150 ALA H H 162 7.786 7.786 8.700 -0.914 17614 1759 1 2 . 1 1 151 151 TYR N N 163 118.902 118.902 119.571 -0.669 17614 1760 1 2 . 1 1 151 151 TYR C C 163 177.273 177.273 177.879 -0.606 17614 1761 1 2 . 1 1 151 151 TYR CA C 163 61.068 61.068 61.715 -0.647 17614 1762 1 2 . 1 1 151 151 TYR CB C 163 37.898 37.898 38.676 -0.778 17614 1763 1 2 . 1 1 151 151 TYR H H 163 7.922 7.922 8.115 -0.193 17614 1764 1 2 . 1 1 152 152 LYS N N 164 119.939 119.939 118.576 1.363 17614 1765 1 2 . 1 1 152 152 LYS C C 164 178.239 178.239 179.123 -0.884 17614 1766 1 2 . 1 1 152 152 LYS CA C 164 60.309 60.309 59.778 0.531 17614 1767 1 2 . 1 1 152 152 LYS CB C 164 32.504 32.504 32.569 -0.065 17614 1768 1 2 . 1 1 152 152 LYS H H 164 8.223 8.223 7.707 0.516 17614 1769 1 2 . 1 1 153 153 THR N N 165 115.262 115.262 116.587 -1.325 17614 1770 1 2 . 1 1 153 153 THR C C 165 175.676 175.676 176.543 -0.867 17614 1771 1 2 . 1 1 153 153 THR CA C 165 66.516 66.516 66.793 -0.277 17614 1772 1 2 . 1 1 153 153 THR CB C 165 69.367 69.367 68.503 0.864 17614 1773 1 2 . 1 1 153 153 THR H H 165 7.745 7.745 8.298 -0.553 17614 1774 1 2 . 1 1 154 154 ILE N N 166 121.571 121.571 120.688 0.883 17614 1775 1 2 . 1 1 154 154 ILE C C 166 177.307 177.307 177.728 -0.421 17614 1776 1 2 . 1 1 154 154 ILE CA C 166 64.634 64.634 62.451 2.183 17614 1777 1 2 . 1 1 154 154 ILE CB C 166 38.896 38.896 36.236 2.660 17614 1778 1 2 . 1 1 154 154 ILE H H 166 7.540 7.540 7.458 0.082 17614 1779 1 2 . 1 1 155 155 ALA N N 167 121.983 121.983 123.004 -1.021 17614 1780 1 2 . 1 1 155 155 ALA C C 167 178.395 178.395 180.493 -2.098 17614 1781 1 2 . 1 1 155 155 ALA CA C 167 54.656 54.656 54.755 -0.099 17614 1782 1 2 . 1 1 155 155 ALA CB C 167 18.486 18.486 18.204 0.282 17614 1783 1 2 . 1 1 155 155 ALA H H 167 8.059 8.059 7.725 0.334 17614 1784 1 2 . 1 1 156 156 ARG N N 168 116.369 116.369 118.432 -2.063 17614 1785 1 2 . 1 1 156 156 ARG C C 168 177.307 177.307 178.365 -1.058 17614 1786 1 2 . 1 1 156 156 ARG CA C 168 58.486 58.486 58.679 -0.193 17614 1787 1 2 . 1 1 156 156 ARG CB C 168 30.930 30.930 29.757 1.173 17614 1788 1 2 . 1 1 156 156 ARG H H 168 7.690 7.690 7.900 -0.210 17614 1789 1 2 . 1 1 157 157 GLU N N 169 118.667 118.667 118.293 0.374 17614 1790 1 2 . 1 1 157 157 GLU C C 169 177.696 177.696 178.504 -0.808 17614 1791 1 2 . 1 1 157 157 GLU CA C 169 58.212 58.212 58.334 -0.122 17614 1792 1 2 . 1 1 157 157 GLU CB C 169 30.357 30.357 30.077 0.280 17614 1793 1 2 . 1 1 157 157 GLU H H 169 8.045 8.045 7.681 0.364 17614 1794 1 2 . 1 1 158 158 GLU N N 170 118.202 118.202 116.868 1.334 17614 1795 1 2 . 1 1 158 158 GLU C C 170 177.878 177.878 176.881 0.997 17614 1796 1 2 . 1 1 158 158 GLU CA C 170 57.363 57.363 56.721 0.641 17614 1797 1 2 . 1 1 158 158 GLU CB C 170 31.277 31.277 30.947 0.330 17614 1798 1 2 . 1 1 158 158 GLU H H 170 8.550 8.550 8.415 0.135 17614 1799 1 2 . 1 1 159 159 GLY N N 171 108.941 108.941 106.947 1.994 17614 1800 1 2 . 1 1 159 159 GLY C C 171 174.433 174.433 174.850 -0.417 17614 1801 1 2 . 1 1 159 159 GLY CA C 171 45.193 45.193 44.628 0.565 17614 1802 1 2 . 1 1 159 159 GLY H H 171 7.881 7.881 7.669 0.212 17614 1803 1 2 . 1 1 160 160 ILE N N 172 120.842 120.842 117.332 3.510 17614 1804 1 2 . 1 1 160 160 ILE C C 172 176.997 176.997 177.440 -0.443 17614 1805 1 2 . 1 1 160 160 ILE CA C 172 63.810 63.810 63.855 -0.045 17614 1806 1 2 . 1 1 160 160 ILE CB C 172 38.516 38.516 37.782 0.734 17614 1807 1 2 . 1 1 160 160 ILE H H 172 8.550 8.550 8.330 0.220 17614 1808 1 2 . 1 1 161 161 ARG N N 173 119.480 119.480 121.391 -1.911 17614 1809 1 2 . 1 1 161 161 ARG C C 173 178.084 178.084 178.551 -0.467 17614 1810 1 2 . 1 1 161 161 ARG CA C 173 58.711 58.711 58.679 0.032 17614 1811 1 2 . 1 1 161 161 ARG CB C 173 29.796 29.796 28.872 0.924 17614 1812 1 2 . 1 1 161 161 ARG H H 173 8.277 8.277 8.364 -0.087 17614 1813 1 2 . 1 1 162 162 GLY N N 174 106.379 106.379 108.127 -1.748 17614 1814 1 2 . 1 1 162 162 GLY C C 174 175.210 175.210 175.770 -0.560 17614 1815 1 2 . 1 1 162 162 GLY CA C 174 46.767 46.767 46.642 0.125 17614 1816 1 2 . 1 1 162 162 GLY H H 174 7.690 7.690 7.900 -0.210 17614 1817 1 2 . 1 1 163 163 LEU N N 175 120.664 120.664 122.225 -1.561 17614 1818 1 2 . 1 1 163 163 LEU C C 175 177.971 177.971 178.388 -0.417 17614 1819 1 2 . 1 1 163 163 LEU CA C 175 57.104 57.104 56.863 0.241 17614 1820 1 2 . 1 1 163 163 LEU CB C 175 42.559 42.559 41.398 1.161 17614 1821 1 2 . 1 1 163 163 LEU H H 175 7.554 7.554 7.282 0.272 17614 1822 1 2 . 1 1 164 164 TRP N N 176 117.031 117.031 119.530 -2.499 17614 1823 1 2 . 1 1 164 164 TRP C C 176 176.987 176.987 177.058 -0.071 17614 1824 1 2 . 1 1 164 164 TRP CA C 176 57.672 57.672 59.358 -1.687 17614 1825 1 2 . 1 1 164 164 TRP CB C 176 29.796 29.796 29.412 0.384 17614 1826 1 2 . 1 1 164 164 TRP H H 176 7.499 7.499 8.186 -0.687 17614 1827 1 2 . 1 1 165 165 LYS N N 177 120.567 120.567 118.498 2.069 17614 1828 1 2 . 1 1 165 165 LYS C C 177 177.152 177.152 177.332 -0.180 17614 1829 1 2 . 1 1 165 165 LYS CA C 177 57.712 57.712 59.861 -2.149 17614 1830 1 2 . 1 1 165 165 LYS CB C 177 32.890 32.890 31.828 1.062 17614 1831 1 2 . 1 1 165 165 LYS H H 177 7.595 7.595 7.574 0.021 17614 1832 1 2 . 1 1 166 166 GLY N N 178 108.667 108.667 102.664 6.003 17614 1833 1 2 . 1 1 166 166 GLY C C 178 174.045 174.045 175.436 -1.391 17614 1834 1 2 . 1 1 166 166 GLY CA C 178 45.893 45.893 45.181 0.712 17614 1835 1 2 . 1 1 166 166 GLY H H 178 7.881 7.881 7.810 0.071 17614 1836 1 2 . 1 1 167 167 THR N N 179 115.080 115.080 117.889 -2.809 17614 1837 1 2 . 1 1 167 167 THR C C 179 175.192 175.192 176.226 -1.034 17614 1838 1 2 . 1 1 167 167 THR CA C 179 66.521 66.521 67.154 -0.633 17614 1839 1 2 . 1 1 167 167 THR CB C 179 70.079 70.079 68.904 1.175 17614 1840 1 2 . 1 1 167 167 THR H H 179 7.622 7.622 7.958 -0.336 17614 1841 1 2 . 1 1 168 168 SER N N 180 117.754 117.754 115.166 2.588 17614 1842 1 2 . 1 1 168 168 SER CA C 180 63.123 63.123 62.318 0.805 17614 1843 1 2 . 1 1 168 168 SER CB C 180 62.045 62.045 60.943 1.102 17614 1844 1 2 . 1 1 168 168 SER H H 180 8.195 8.195 7.205 0.990 17614 1845 1 2 . 1 1 170 170 ASN C C 182 177.348 177.348 177.642 -0.294 17614 1846 1 2 . 1 1 171 171 VAL N N 183 118.118 118.118 119.627 -1.509 17614 1847 1 2 . 1 1 171 171 VAL C C 183 176.944 176.944 177.422 -0.478 17614 1848 1 2 . 1 1 171 171 VAL CA C 183 65.244 65.244 66.356 -1.113 17614 1849 1 2 . 1 1 171 171 VAL CB C 183 32.508 32.508 31.613 0.895 17614 1850 1 2 . 1 1 171 171 VAL H H 183 7.861 7.861 7.426 0.435 17614 1851 1 2 . 1 1 172 172 ALA N N 184 122.284 122.284 121.986 0.298 17614 1852 1 2 . 1 1 172 172 ALA C C 184 178.317 178.317 178.788 -0.471 17614 1853 1 2 . 1 1 172 172 ALA CA C 184 55.339 55.339 55.321 0.018 17614 1854 1 2 . 1 1 172 172 ALA CB C 184 28.230 28.230 18.176 10.054 17614 1855 1 2 . 1 1 172 172 ALA H H 184 8.097 8.097 7.467 0.630 17614 1856 1 2 . 1 1 173 173 ARG N N 185 117.321 117.321 118.963 -1.642 17614 1857 1 2 . 1 1 173 173 ARG C C 185 177.527 177.527 178.376 -0.849 17614 1858 1 2 . 1 1 173 173 ARG CA C 185 59.543 59.543 59.689 -0.146 17614 1859 1 2 . 1 1 173 173 ARG CB C 185 29.767 29.767 30.121 -0.354 17614 1860 1 2 . 1 1 173 173 ARG H H 185 7.611 7.611 7.790 -0.179 17614 1861 1 2 . 1 1 174 174 ASN N N 186 117.294 117.294 117.746 -0.452 17614 1862 1 2 . 1 1 174 174 ASN C C 186 176.599 176.599 177.565 -0.966 17614 1863 1 2 . 1 1 174 174 ASN CA C 186 56.659 56.659 55.930 0.729 17614 1864 1 2 . 1 1 174 174 ASN CB C 186 39.454 39.454 37.911 1.543 17614 1865 1 2 . 1 1 174 174 ASN H H 186 8.048 8.048 7.697 0.351 17614 1866 1 2 . 1 1 175 175 ALA N N 187 121.003 121.003 123.086 -2.083 17614 1867 1 2 . 1 1 175 175 ALA C C 187 178.713 178.713 179.566 -0.853 17614 1868 1 2 . 1 1 175 175 ALA CA C 187 55.520 55.520 55.079 0.441 17614 1869 1 2 . 1 1 175 175 ALA CB C 187 18.097 18.097 18.602 -0.505 17614 1870 1 2 . 1 1 175 175 ALA H H 187 7.322 7.322 7.563 -0.241 17614 1871 1 2 . 1 1 176 176 ILE N N 188 119.319 119.319 119.368 -0.049 17614 1872 1 2 . 1 1 176 176 ILE C C 188 176.634 176.634 177.811 -1.177 17614 1873 1 2 . 1 1 176 176 ILE CA C 188 64.225 64.225 65.475 -1.250 17614 1874 1 2 . 1 1 176 176 ILE CB C 188 37.658 37.658 37.959 -0.301 17614 1875 1 2 . 1 1 176 176 ILE H H 188 7.779 7.779 7.993 -0.214 17614 1876 1 2 . 1 1 177 177 VAL N N 189 117.265 117.265 117.585 -0.320 17614 1877 1 2 . 1 1 177 177 VAL C C 189 177.529 177.529 177.645 -0.116 17614 1878 1 2 . 1 1 177 177 VAL CA C 189 65.562 65.562 67.118 -1.556 17614 1879 1 2 . 1 1 177 177 VAL CB C 189 31.407 31.407 31.244 0.163 17614 1880 1 2 . 1 1 177 177 VAL H H 189 7.776 7.776 7.788 -0.012 17614 1881 1 2 . 1 1 178 178 ASN N N 190 118.736 118.736 119.212 -0.476 17614 1882 1 2 . 1 1 178 178 ASN C C 190 176.476 176.476 177.504 -1.028 17614 1883 1 2 . 1 1 178 178 ASN CA C 190 56.813 56.813 56.399 0.414 17614 1884 1 2 . 1 1 178 178 ASN CB C 190 38.268 38.268 38.296 -0.028 17614 1885 1 2 . 1 1 178 178 ASN H H 190 7.800 7.800 7.737 0.063 17614 1886 1 2 . 1 1 179 179 CYS N N 191 120.152 120.152 118.790 1.362 17614 1887 1 2 . 1 1 179 179 CYS C C 191 175.831 175.831 176.857 -1.026 17614 1888 1 2 . 1 1 179 179 CYS CA C 191 60.293 60.293 63.901 -3.608 17614 1889 1 2 . 1 1 179 179 CYS CB C 191 41.566 41.566 27.538 14.028 17614 1890 1 2 . 1 1 179 179 CYS H H 191 7.784 7.784 8.083 -0.299 17614 1891 1 2 . 1 1 180 180 ALA N N 192 121.963 121.963 121.992 -0.029 17614 1892 1 2 . 1 1 180 180 ALA C C 192 178.395 178.395 179.524 -1.129 17614 1893 1 2 . 1 1 180 180 ALA CA C 192 55.280 55.280 55.226 0.054 17614 1894 1 2 . 1 1 180 180 ALA CB C 192 18.008 18.008 18.080 -0.072 17614 1895 1 2 . 1 1 180 180 ALA H H 192 8.141 8.141 8.845 -0.704 17614 1896 1 2 . 1 1 181 181 GLU N N 193 114.548 114.548 119.257 -4.709 17614 1897 1 2 . 1 1 181 181 GLU C C 193 176.764 176.764 178.891 -2.127 17614 1898 1 2 . 1 1 181 181 GLU CA C 193 58.262 58.262 59.455 -1.193 17614 1899 1 2 . 1 1 181 181 GLU CB C 193 29.342 29.342 29.506 -0.164 17614 1900 1 2 . 1 1 181 181 GLU H H 193 7.595 7.595 8.412 -0.817 17614 1901 1 2 . 1 1 182 182 LEU N N 194 117.659 117.659 121.072 -3.413 17614 1902 1 2 . 1 1 182 182 LEU C C 194 176.904 176.904 178.594 -1.690 17614 1903 1 2 . 1 1 182 182 LEU CA C 194 55.695 55.695 58.269 -2.574 17614 1904 1 2 . 1 1 182 182 LEU CB C 194 41.655 41.655 41.915 -0.260 17614 1905 1 2 . 1 1 182 182 LEU H H 194 7.459 7.459 8.125 -0.666 17614 1906 1 2 . 1 1 183 183 VAL N N 195 117.842 117.842 118.545 -0.703 17614 1907 1 2 . 1 1 183 183 VAL C C 195 177.150 177.150 178.027 -0.877 17614 1908 1 2 . 1 1 183 183 VAL CA C 195 64.054 64.054 66.771 -2.717 17614 1909 1 2 . 1 1 183 183 VAL CB C 195 31.079 31.079 31.387 -0.308 17614 1910 1 2 . 1 1 183 183 VAL H H 195 7.363 7.363 7.464 -0.101 17614 1911 1 2 . 1 1 184 184 THR N N 196 122.439 122.439 117.064 5.375 17614 1912 1 2 . 1 1 184 184 THR C C 196 175.055 175.055 176.660 -1.605 17614 1913 1 2 . 1 1 184 184 THR CA C 196 65.500 65.500 66.764 -1.264 17614 1914 1 2 . 1 1 184 184 THR CB C 196 69.490 69.490 68.787 0.703 17614 1915 1 2 . 1 1 184 184 THR H H 196 7.940 7.940 7.770 0.170 17614 1916 1 2 . 1 1 185 185 TYR N N 197 122.430 122.430 121.768 0.662 17614 1917 1 2 . 1 1 185 185 TYR C C 197 177.152 177.152 177.177 -0.025 17614 1918 1 2 . 1 1 185 185 TYR CA C 197 61.892 61.892 61.457 0.435 17614 1919 1 2 . 1 1 185 185 TYR CB C 197 38.085 38.085 38.375 -0.290 17614 1920 1 2 . 1 1 185 185 TYR H H 197 9.123 9.123 8.843 0.280 17614 1921 1 2 . 1 1 186 186 ASP N N 198 117.750 117.750 119.006 -1.256 17614 1922 1 2 . 1 1 186 186 ASP C C 198 177.696 177.696 178.375 -0.679 17614 1923 1 2 . 1 1 186 186 ASP CA C 198 57.822 57.822 57.672 0.150 17614 1924 1 2 . 1 1 186 186 ASP CB C 198 40.500 40.500 40.683 -0.183 17614 1925 1 2 . 1 1 186 186 ASP H H 198 8.263 8.263 7.905 0.358 17614 1926 1 2 . 1 1 187 187 LEU N N 199 120.698 120.698 119.063 1.635 17614 1927 1 2 . 1 1 187 187 LEU C C 199 180.104 180.104 179.085 1.019 17614 1928 1 2 . 1 1 187 187 LEU CA C 199 58.092 58.092 58.257 -0.165 17614 1929 1 2 . 1 1 187 187 LEU CB C 199 42.559 42.559 41.841 0.718 17614 1930 1 2 . 1 1 187 187 LEU H H 199 7.636 7.636 7.492 0.144 17614 1931 1 2 . 1 1 188 188 ILE N N 200 121.136 121.136 118.971 2.165 17614 1932 1 2 . 1 1 188 188 ILE C C 200 176.919 176.919 177.429 -0.510 17614 1933 1 2 . 1 1 188 188 ILE CA C 200 65.482 65.482 64.572 0.910 17614 1934 1 2 . 1 1 188 188 ILE CB C 200 37.949 37.949 37.532 0.417 17614 1935 1 2 . 1 1 188 188 ILE H H 200 7.718 7.718 7.341 0.377 17614 1936 1 2 . 1 1 189 189 LYS N N 201 120.587 120.587 118.145 2.442 17614 1937 1 2 . 1 1 189 189 LYS C C 201 177.696 177.696 178.655 -0.959 17614 1938 1 2 . 1 1 189 189 LYS CA C 201 60.683 60.683 59.287 1.396 17614 1939 1 2 . 1 1 189 189 LYS CB C 201 31.809 31.809 32.439 -0.630 17614 1940 1 2 . 1 1 189 189 LYS H H 201 8.291 8.291 7.850 0.441 17614 1941 1 2 . 1 1 190 190 ASP N N 202 117.936 117.936 116.473 1.463 17614 1942 1 2 . 1 1 190 190 ASP C C 202 178.395 178.395 177.334 1.061 17614 1943 1 2 . 1 1 190 190 ASP CA C 202 57.672 57.672 56.066 1.606 17614 1944 1 2 . 1 1 190 190 ASP CB C 202 41.355 41.355 41.185 0.170 17614 1945 1 2 . 1 1 190 190 ASP H H 202 8.182 8.182 7.895 0.287 17614 1946 1 2 . 1 1 191 191 THR N N 203 115.914 115.914 116.394 -0.480 17614 1947 1 2 . 1 1 191 191 THR CA C 203 61.190 61.190 62.272 -1.082 17614 1948 1 2 . 1 1 191 191 THR CB C 203 68.738 68.738 70.166 -1.428 17614 1949 1 2 . 1 1 191 191 THR H H 203 7.690 7.690 7.927 -0.237 17614 1950 1 2 . 1 1 192 192 LEU C C 204 176.047 176.047 175.432 0.615 17614 1951 1 2 . 1 1 192 192 LEU H H 204 8.051 8.051 8.790 -0.739 17614 1952 1 2 . 1 1 193 193 LEU N N 205 118.768 118.768 118.270 0.498 17614 1953 1 2 . 1 1 193 193 LEU C C 205 179.871 179.871 175.486 4.385 17614 1954 1 2 . 1 1 193 193 LEU CA C 205 55.867 55.867 54.156 1.711 17614 1955 1 2 . 1 1 193 193 LEU CB C 205 41.887 41.887 42.459 -0.572 17614 1956 1 2 . 1 1 193 193 LEU H H 205 7.977 7.977 7.623 0.354 17614 1957 1 2 . 1 1 194 194 LYS N N 206 119.775 119.775 121.178 -1.403 17614 1958 1 2 . 1 1 194 194 LYS C C 206 177.318 177.318 177.081 0.237 17614 1959 1 2 . 1 1 194 194 LYS CA C 206 58.461 58.461 56.838 1.623 17614 1960 1 2 . 1 1 194 194 LYS CB C 206 32.734 32.734 33.261 -0.527 17614 1961 1 2 . 1 1 194 194 LYS H H 206 7.677 7.677 8.521 -0.844 17614 1962 1 2 . 1 1 195 195 ALA N N 207 120.757 120.757 119.916 0.841 17614 1963 1 2 . 1 1 195 195 ALA C C 207 176.531 176.531 176.006 0.525 17614 1964 1 2 . 1 1 195 195 ALA CA C 207 53.083 53.083 52.230 0.853 17614 1965 1 2 . 1 1 195 195 ALA CB C 207 18.960 18.960 18.785 0.175 17614 1966 1 2 . 1 1 195 195 ALA H H 207 7.565 7.565 7.757 -0.192 17614 1967 1 2 . 1 1 196 196 ASN N N 208 115.463 115.463 115.607 -0.144 17614 1968 1 2 . 1 1 196 196 ASN C C 208 174.822 174.822 173.430 1.392 17614 1969 1 2 . 1 1 196 196 ASN CA C 208 54.351 54.351 53.033 1.318 17614 1970 1 2 . 1 1 196 196 ASN CB C 208 38.160 38.160 37.751 0.409 17614 1971 1 2 . 1 1 196 196 ASN H H 208 7.936 7.936 8.062 -0.126 17614 1972 1 2 . 1 1 200 200 ASP C C 212 174.735 174.735 176.169 -1.434 17614 1973 1 2 . 1 1 201 201 ASP N N 213 116.363 116.363 117.923 -1.560 17614 1974 1 2 . 1 1 201 201 ASP C C 213 175.553 175.553 176.590 -1.037 17614 1975 1 2 . 1 1 201 201 ASP CA C 213 54.890 54.890 54.700 0.190 17614 1976 1 2 . 1 1 201 201 ASP CB C 213 38.846 38.846 38.993 -0.147 17614 1977 1 2 . 1 1 201 201 ASP H H 213 8.129 8.129 8.552 -0.423 17614 1978 1 2 . 1 1 202 202 LEU N N 214 119.486 119.486 120.911 -1.425 17614 1979 1 2 . 1 1 202 202 LEU CA C 214 59.766 59.766 59.394 0.372 17614 1980 1 2 . 1 1 202 202 LEU CB C 214 39.579 39.579 41.028 -1.449 17614 1981 1 2 . 1 1 202 202 LEU H H 214 7.821 7.821 8.274 -0.453 17614 1982 1 2 . 1 1 203 203 PRO C C 215 177.971 177.971 178.707 -0.736 17614 1983 1 2 . 1 1 203 203 PRO CA C 215 65.938 65.938 65.896 0.042 17614 1984 1 2 . 1 1 203 203 PRO CB C 215 30.006 30.006 31.009 -1.003 17614 1985 1 2 . 1 1 204 204 CYS N N 216 114.211 114.211 115.700 -1.489 17614 1986 1 2 . 1 1 204 204 CYS C C 216 176.142 176.142 176.953 -0.811 17614 1987 1 2 . 1 1 204 204 CYS CA C 216 58.773 58.773 63.431 -4.658 17614 1988 1 2 . 1 1 204 204 CYS CB C 216 40.906 40.906 27.135 13.771 17614 1989 1 2 . 1 1 204 204 CYS H H 216 8.269 8.269 8.280 -0.011 17614 1990 1 2 . 1 1 205 205 HIS N N 217 120.491 120.491 120.512 -0.021 17614 1991 1 2 . 1 1 205 205 HIS C C 217 176.747 176.747 177.187 -0.440 17614 1992 1 2 . 1 1 205 205 HIS CA C 217 57.198 57.198 58.995 -1.796 17614 1993 1 2 . 1 1 205 205 HIS CB C 217 29.886 29.886 29.828 0.058 17614 1994 1 2 . 1 1 205 205 HIS H H 217 7.301 7.301 7.522 -0.221 17614 1995 1 2 . 1 1 206 206 PHE N N 218 120.501 120.501 117.855 2.646 17614 1996 1 2 . 1 1 206 206 PHE C C 218 176.187 176.187 177.798 -1.611 17614 1997 1 2 . 1 1 206 206 PHE CA C 218 59.045 59.045 61.501 -2.456 17614 1998 1 2 . 1 1 206 206 PHE CB C 218 38.901 38.901 38.510 0.392 17614 1999 1 2 . 1 1 206 206 PHE H H 218 8.127 8.127 7.723 0.404 17614 2000 1 2 . 1 1 207 207 THR N N 219 112.682 112.682 114.204 -1.522 17614 2001 1 2 . 1 1 207 207 THR C C 219 175.997 175.997 176.830 -0.833 17614 2002 1 2 . 1 1 207 207 THR CA C 219 64.319 64.319 66.349 -2.030 17614 2003 1 2 . 1 1 207 207 THR CB C 219 63.282 63.282 68.557 -5.275 17614 2004 1 2 . 1 1 207 207 THR H H 219 7.977 7.977 7.910 0.067 17614 2005 1 2 . 1 1 208 208 SER N N 220 117.589 117.589 116.806 0.783 17614 2006 1 2 . 1 1 208 208 SER C C 220 175.055 175.055 176.443 -1.388 17614 2007 1 2 . 1 1 208 208 SER CA C 220 61.344 61.344 61.445 -0.101 17614 2008 1 2 . 1 1 208 208 SER CB C 220 63.440 63.440 62.837 0.603 17614 2009 1 2 . 1 1 208 208 SER H H 220 8.004 8.004 7.828 0.176 17614 2010 1 2 . 1 1 209 209 ALA N N 221 123.860 123.860 124.346 -0.486 17614 2011 1 2 . 1 1 209 209 ALA C C 221 177.618 177.618 179.449 -1.831 17614 2012 1 2 . 1 1 209 209 ALA CA C 221 53.932 53.932 54.623 -0.691 17614 2013 1 2 . 1 1 209 209 ALA CB C 221 18.891 18.891 18.316 0.575 17614 2014 1 2 . 1 1 209 209 ALA H H 221 7.704 7.704 7.309 0.395 17614 2015 1 2 . 1 1 210 210 PHE N N 222 116.073 116.073 120.035 -3.962 17614 2016 1 2 . 1 1 210 210 PHE C C 222 176.142 176.142 177.782 -1.640 17614 2017 1 2 . 1 1 210 210 PHE CA C 222 58.271 58.271 60.847 -2.576 17614 2018 1 2 . 1 1 210 210 PHE CB C 222 39.554 39.554 39.046 0.508 17614 2019 1 2 . 1 1 210 210 PHE H H 222 7.718 7.718 8.074 -0.356 17614 2020 1 2 . 1 1 211 211 GLY N N 223 108.578 108.578 106.549 2.029 17614 2021 1 2 . 1 1 211 211 GLY C C 223 173.889 173.889 175.503 -1.614 17614 2022 1 2 . 1 1 211 211 GLY CA C 223 45.993 45.993 47.050 -1.057 17614 2023 1 2 . 1 1 211 211 GLY H H 223 7.909 7.909 8.175 -0.266 17614 2024 1 2 . 1 1 212 212 ALA N N 224 123.322 123.322 124.633 -1.311 17614 2025 1 2 . 1 1 212 212 ALA C C 224 178.550 178.550 179.759 -1.209 17614 2026 1 2 . 1 1 212 212 ALA CA C 224 53.608 53.608 54.819 -1.211 17614 2027 1 2 . 1 1 212 212 ALA CB C 224 19.069 19.069 18.282 0.787 17614 2028 1 2 . 1 1 212 212 ALA H H 224 8.018 8.018 8.007 0.011 17614 2029 1 2 . 1 1 213 213 GLY N N 225 107.935 107.935 107.586 0.349 17614 2030 1 2 . 1 1 213 213 GLY C C 225 175.389 175.389 175.655 -0.266 17614 2031 1 2 . 1 1 213 213 GLY CA C 225 46.967 46.967 46.839 0.128 17614 2032 1 2 . 1 1 213 213 GLY H H 225 8.304 8.304 8.646 -0.342 17614 2033 1 2 . 1 1 214 214 PHE N N 226 122.440 122.440 122.876 -0.436 17614 2034 1 2 . 1 1 214 214 PHE C C 226 176.998 176.998 177.070 -0.072 17614 2035 1 2 . 1 1 214 214 PHE CA C 226 60.673 60.673 60.459 0.214 17614 2036 1 2 . 1 1 214 214 PHE CB C 226 38.319 38.319 39.353 -1.034 17614 2037 1 2 . 1 1 214 214 PHE H H 226 8.045 8.045 8.020 0.025 17614 2038 1 2 . 1 1 215 215 CYS N N 227 116.562 116.562 117.619 -1.057 17614 2039 1 2 . 1 1 215 215 CYS CA C 227 61.301 61.301 62.829 -1.528 17614 2040 1 2 . 1 1 215 215 CYS CB C 227 41.286 41.286 26.779 14.507 17614 2041 1 2 . 1 1 215 215 CYS H H 227 8.016 8.016 8.058 -0.042 17614 2042 1 2 . 1 1 216 216 THR C C 228 176.437 176.437 176.253 0.184 17614 2043 1 2 . 1 1 216 216 THR H H 228 8.410 8.410 8.549 -0.139 17614 2044 1 2 . 1 1 217 217 THR N N 229 115.234 115.234 118.442 -3.208 17614 2045 1 2 . 1 1 217 217 THR C C 229 176.749 176.749 176.206 0.543 17614 2046 1 2 . 1 1 217 217 THR CA C 229 65.980 65.980 67.107 -1.127 17614 2047 1 2 . 1 1 217 217 THR CB C 229 67.443 67.443 68.163 -0.720 17614 2048 1 2 . 1 1 217 217 THR H H 229 8.188 8.188 7.784 0.404 17614 2049 1 2 . 1 1 218 218 VAL N N 230 120.723 120.723 120.504 0.219 17614 2050 1 2 . 1 1 218 218 VAL C C 230 177.983 177.983 177.601 0.382 17614 2051 1 2 . 1 1 218 218 VAL CA C 230 66.832 66.832 65.887 0.945 17614 2052 1 2 . 1 1 218 218 VAL CB C 230 31.168 31.168 31.242 -0.074 17614 2053 1 2 . 1 1 218 218 VAL H H 230 8.027 8.027 7.359 0.668 17614 2054 1 2 . 1 1 219 219 ILE N N 231 120.541 120.541 116.260 4.281 17614 2055 1 2 . 1 1 219 219 ILE C C 231 177.368 177.368 177.534 -0.166 17614 2056 1 2 . 1 1 219 219 ILE CA C 231 65.575 65.575 64.210 1.365 17614 2057 1 2 . 1 1 219 219 ILE CB C 231 37.722 37.722 37.101 0.621 17614 2058 1 2 . 1 1 219 219 ILE H H 231 8.458 8.458 7.309 1.149 17614 2059 1 2 . 1 1 220 220 ALA N N 232 122.766 122.766 122.243 0.523 17614 2060 1 2 . 1 1 220 220 ALA C C 232 178.847 178.847 179.404 -0.557 17614 2061 1 2 . 1 1 220 220 ALA CA C 232 55.252 55.252 54.819 0.433 17614 2062 1 2 . 1 1 220 220 ALA CB C 232 17.874 17.874 18.253 -0.379 17614 2063 1 2 . 1 1 220 220 ALA H H 232 8.589 8.589 7.872 0.717 17614 2064 1 2 . 1 1 221 221 SER N N 233 113.387 113.387 114.100 -0.713 17614 2065 1 2 . 1 1 221 221 SER CA C 233 62.348 62.348 62.836 -0.488 17614 2066 1 2 . 1 1 221 221 SER CB C 233 61.630 61.630 61.839 -0.209 17614 2067 1 2 . 1 1 221 221 SER H H 233 8.218 8.218 8.372 -0.154 17614 2068 1 2 . 1 1 222 222 PRO C C 234 178.221 178.221 178.565 -0.344 17614 2069 1 2 . 1 1 223 223 VAL N N 235 116.087 116.087 114.779 1.308 17614 2070 1 2 . 1 1 223 223 VAL C C 235 177.089 177.089 177.644 -0.555 17614 2071 1 2 . 1 1 223 223 VAL CA C 235 65.072 65.072 65.577 -0.505 17614 2072 1 2 . 1 1 223 223 VAL CB C 235 31.084 31.084 30.902 0.182 17614 2073 1 2 . 1 1 223 223 VAL H H 235 8.142 8.142 7.328 0.814 17614 2074 1 2 . 1 1 224 224 ASP N N 236 121.556 121.556 120.532 1.024 17614 2075 1 2 . 1 1 224 224 ASP C C 236 177.422 177.422 178.524 -1.102 17614 2076 1 2 . 1 1 224 224 ASP CA C 236 57.135 57.135 57.298 -0.163 17614 2077 1 2 . 1 1 224 224 ASP CB C 236 40.065 40.065 41.103 -1.038 17614 2078 1 2 . 1 1 224 224 ASP H H 236 7.932 7.932 7.476 0.456 17614 2079 1 2 . 1 1 225 225 VAL N N 237 117.233 117.233 117.264 -0.031 17614 2080 1 2 . 1 1 225 225 VAL CA C 237 64.977 64.977 65.538 -0.561 17614 2081 1 2 . 1 1 225 225 VAL CB C 237 31.013 31.013 31.571 -0.558 17614 2082 1 2 . 1 1 225 225 VAL H H 237 7.710 7.710 7.649 0.061 17614 2083 1 2 . 1 1 226 226 VAL C C 238 177.584 177.584 177.647 -0.063 17614 2084 1 2 . 1 1 226 226 VAL H H 238 7.607 7.607 7.403 0.204 17614 2085 1 2 . 1 1 227 227 LYS N N 239 120.095 120.095 118.434 1.661 17614 2086 1 2 . 1 1 227 227 LYS C C 239 178.678 178.678 178.701 -0.023 17614 2087 1 2 . 1 1 227 227 LYS CA C 239 58.483 58.483 58.424 0.059 17614 2088 1 2 . 1 1 227 227 LYS CB C 239 31.863 31.863 32.193 -0.330 17614 2089 1 2 . 1 1 227 227 LYS H H 239 7.761 7.761 7.376 0.385 17614 2090 1 2 . 1 1 228 228 THR N N 240 115.247 115.247 112.503 2.744 17614 2091 1 2 . 1 1 228 228 THR C C 240 175.093 175.093 175.820 -0.727 17614 2092 1 2 . 1 1 228 228 THR CA C 240 66.458 66.458 64.024 2.434 17614 2093 1 2 . 1 1 228 228 THR CB C 240 68.011 68.011 69.074 -1.063 17614 2094 1 2 . 1 1 228 228 THR H H 240 7.761 7.761 7.667 0.094 17614 2095 1 2 . 1 1 229 229 ARG N N 241 119.633 119.633 122.504 -2.871 17614 2096 1 2 . 1 1 229 229 ARG CA C 241 57.133 57.133 57.824 -0.691 17614 2097 1 2 . 1 1 229 229 ARG CB C 241 31.218 31.218 30.659 0.559 17614 2098 1 2 . 1 1 229 229 ARG H H 241 7.383 7.383 7.695 -0.312 17614 2099 1 2 . 1 1 230 230 TYR C C 242 174.956 174.956 173.268 1.688 17614 2100 1 2 . 1 1 230 230 TYR H H 242 8.699 8.699 8.307 0.392 17614 2101 1 2 . 1 1 231 231 MET N N 243 118.458 118.458 124.776 -6.318 17614 2102 1 2 . 1 1 231 231 MET C C 243 175.676 175.676 173.842 1.834 17614 2103 1 2 . 1 1 231 231 MET CA C 243 54.417 54.417 54.574 -0.157 17614 2104 1 2 . 1 1 231 231 MET H H 243 7.442 7.442 7.646 -0.204 17614 2105 1 2 . 1 1 232 232 ASN N N 244 116.369 116.369 119.997 -3.628 17614 2106 1 2 . 1 1 232 232 ASN C C 244 174.919 174.919 174.693 0.226 17614 2107 1 2 . 1 1 232 232 ASN CA C 244 59.470 59.470 53.090 6.380 17614 2108 1 2 . 1 1 232 232 ASN CB C 244 39.079 39.079 38.819 0.259 17614 2109 1 2 . 1 1 232 232 ASN H H 244 7.772 7.772 8.461 -0.689 17614 2110 1 2 . 1 1 233 233 SER N N 245 114.568 114.568 116.541 -1.973 17614 2111 1 2 . 1 1 233 233 SER C C 245 175.695 175.695 172.996 2.699 17614 2112 1 2 . 1 1 233 233 SER CA C 245 53.852 53.852 59.471 -5.619 17614 2113 1 2 . 1 1 233 233 SER CB C 245 61.232 61.232 62.325 -1.093 17614 2114 1 2 . 1 1 233 233 SER H H 245 8.475 8.475 8.538 -0.063 17614 2115 1 2 . 1 1 234 234 ALA N N 246 127.283 127.283 123.454 3.829 17614 2116 1 2 . 1 1 234 234 ALA C C 246 177.128 177.128 176.432 0.696 17614 2117 1 2 . 1 1 234 234 ALA CA C 246 56.803 56.803 51.956 4.847 17614 2118 1 2 . 1 1 234 234 ALA CB C 246 18.901 18.901 19.392 -0.491 17614 2119 1 2 . 1 1 234 234 ALA H H 246 7.929 7.929 8.247 -0.318 17614 2120 1 2 . 1 1 235 235 LEU N N 247 118.112 118.112 121.190 -3.078 17614 2121 1 2 . 1 1 235 235 LEU C C 247 176.723 176.723 176.711 0.012 17614 2122 1 2 . 1 1 235 235 LEU CA C 247 54.156 54.156 55.646 -1.490 17614 2123 1 2 . 1 1 235 235 LEU CB C 247 41.215 41.215 42.252 -1.037 17614 2124 1 2 . 1 1 235 235 LEU H H 247 7.922 7.922 7.981 -0.059 17614 2125 1 2 . 1 1 236 236 GLY N N 248 107.203 107.203 109.457 -2.254 17614 2126 1 2 . 1 1 236 236 GLY CA C 248 44.558 44.558 44.486 0.072 17614 2127 1 2 . 1 1 236 236 GLY H H 248 8.318 8.318 8.167 0.151 17614 2128 1 2 . 1 1 238 238 TYR C C 250 175.942 175.942 175.334 0.608 17614 2129 1 2 . 1 1 238 238 TYR H H 250 8.134 8.134 8.669 -0.535 17614 2130 1 2 . 1 1 239 239 HIS N N 251 123.281 123.281 117.352 5.929 17614 2131 1 2 . 1 1 239 239 HIS C C 251 174.531 174.531 174.506 0.025 17614 2132 1 2 . 1 1 239 239 HIS CA C 251 58.931 58.931 58.154 0.777 17614 2133 1 2 . 1 1 239 239 HIS CB C 251 29.525 29.525 30.537 -1.012 17614 2134 1 2 . 1 1 239 239 HIS H H 251 8.184 8.184 8.320 -0.136 17614 2135 1 2 . 1 1 240 240 SER N N 252 110.038 110.038 109.579 0.459 17614 2136 1 2 . 1 1 240 240 SER C C 252 174.429 174.429 174.089 0.340 17614 2137 1 2 . 1 1 240 240 SER CA C 252 57.452 57.452 56.915 0.537 17614 2138 1 2 . 1 1 240 240 SER CB C 252 65.022 65.022 64.853 0.169 17614 2139 1 2 . 1 1 240 240 SER H H 252 8.010 8.010 7.963 0.047 17614 2140 1 2 . 1 1 241 241 ALA N N 253 123.034 123.034 123.123 -0.089 17614 2141 1 2 . 1 1 241 241 ALA C C 253 179.249 179.249 179.699 -0.450 17614 2142 1 2 . 1 1 241 241 ALA CA C 253 54.981 54.981 54.586 0.395 17614 2143 1 2 . 1 1 241 241 ALA CB C 253 19.069 19.069 18.709 0.360 17614 2144 1 2 . 1 1 241 241 ALA H H 253 8.034 8.034 8.620 -0.586 17614 2145 1 2 . 1 1 242 242 GLY N N 254 106.379 106.379 106.292 0.087 17614 2146 1 2 . 1 1 242 242 GLY C C 254 174.433 174.433 175.530 -1.097 17614 2147 1 2 . 1 1 242 242 GLY CA C 254 47.615 47.615 46.861 0.754 17614 2148 1 2 . 1 1 242 242 GLY H H 254 8.427 8.427 8.491 -0.064 17614 2149 1 2 . 1 1 243 243 HIS N N 255 121.119 121.119 121.588 -0.469 17614 2150 1 2 . 1 1 243 243 HIS C C 255 178.084 178.084 176.925 1.159 17614 2151 1 2 . 1 1 243 243 HIS CA C 255 60.144 60.144 59.399 0.745 17614 2152 1 2 . 1 1 243 243 HIS CB C 255 33.073 33.073 29.985 3.088 17614 2153 1 2 . 1 1 243 243 HIS H H 255 8.304 8.304 7.797 0.507 17614 2154 1 2 . 1 1 244 244 CYS N N 256 117.946 117.946 118.744 -0.798 17614 2155 1 2 . 1 1 244 244 CYS C C 256 175.453 175.453 176.749 -1.296 17614 2156 1 2 . 1 1 244 244 CYS CA C 256 58.668 58.668 61.978 -3.310 17614 2157 1 2 . 1 1 244 244 CYS CB C 256 41.434 41.434 26.214 15.220 17614 2158 1 2 . 1 1 244 244 CYS H H 256 8.168 8.168 7.875 0.293 17614 2159 1 2 . 1 1 245 245 ALA N N 257 123.138 123.138 122.468 0.670 17614 2160 1 2 . 1 1 245 245 ALA C C 257 179.489 179.489 179.919 -0.430 17614 2161 1 2 . 1 1 245 245 ALA CA C 257 54.589 54.589 55.261 -0.672 17614 2162 1 2 . 1 1 245 245 ALA CB C 257 17.675 17.675 18.100 -0.425 17614 2163 1 2 . 1 1 245 245 ALA H H 257 7.932 7.932 7.461 0.471 17614 2164 1 2 . 1 1 246 246 LEU N N 258 119.779 119.779 118.600 1.179 17614 2165 1 2 . 1 1 246 246 LEU C C 258 178.234 178.234 178.983 -0.749 17614 2166 1 2 . 1 1 246 246 LEU CA C 258 56.967 56.967 57.561 -0.594 17614 2167 1 2 . 1 1 246 246 LEU CB C 258 41.067 41.067 41.089 -0.022 17614 2168 1 2 . 1 1 246 246 LEU H H 258 7.681 7.681 7.721 -0.040 17614 2169 1 2 . 1 1 247 247 THR N N 259 114.552 114.552 113.601 0.951 17614 2170 1 2 . 1 1 247 247 THR C C 259 176.244 176.244 176.751 -0.507 17614 2171 1 2 . 1 1 247 247 THR CA C 259 66.511 66.511 66.120 0.391 17614 2172 1 2 . 1 1 247 247 THR CB C 259 67.274 67.274 68.767 -1.493 17614 2173 1 2 . 1 1 247 247 THR H H 259 7.855 7.855 8.018 -0.163 17614 2174 1 2 . 1 1 248 248 MET N N 260 118.862 118.862 119.975 -1.113 17614 2175 1 2 . 1 1 248 248 MET C C 260 177.094 177.094 177.576 -0.482 17614 2176 1 2 . 1 1 248 248 MET CA C 260 58.532 58.532 58.130 0.402 17614 2177 1 2 . 1 1 248 248 MET CB C 260 32.288 32.288 31.764 0.524 17614 2178 1 2 . 1 1 248 248 MET H H 260 8.296 8.296 8.345 -0.049 17614 2179 1 2 . 1 1 249 249 LEU N N 261 116.839 116.839 118.714 -1.875 17614 2180 1 2 . 1 1 249 249 LEU C C 261 178.162 178.162 179.159 -0.997 17614 2181 1 2 . 1 1 249 249 LEU CA C 261 58.167 58.167 57.709 0.458 17614 2182 1 2 . 1 1 249 249 LEU CB C 261 42.202 42.202 42.015 0.187 17614 2183 1 2 . 1 1 249 249 LEU H H 261 8.053 8.053 7.559 0.494 17614 2184 1 2 . 1 1 250 250 ARG N N 262 116.821 116.821 117.992 -1.171 17614 2185 1 2 . 1 1 250 250 ARG CA C 262 58.761 58.761 58.290 0.471 17614 2186 1 2 . 1 1 250 250 ARG CB C 262 30.825 30.825 30.323 0.503 17614 2187 1 2 . 1 1 250 250 ARG H H 262 7.827 7.827 7.543 0.284 17614 2188 1 2 . 1 1 254 254 PRO C C 266 177.152 177.152 178.462 -1.310 17614 2189 1 2 . 1 1 254 254 PRO CA C 266 65.152 65.152 64.558 0.593 17614 2190 1 2 . 1 1 255 255 ARG N N 267 117.739 117.739 119.182 -1.443 17614 2191 1 2 . 1 1 255 255 ARG C C 267 177.463 177.463 177.772 -0.309 17614 2192 1 2 . 1 1 255 255 ARG CA C 267 59.335 59.335 58.647 0.688 17614 2193 1 2 . 1 1 255 255 ARG CB C 267 30.185 30.185 29.595 0.590 17614 2194 1 2 . 1 1 255 255 ARG H H 267 8.072 8.072 8.472 -0.400 17614 2195 1 2 . 1 1 256 256 ALA N N 268 121.709 121.709 121.858 -0.149 17614 2196 1 2 . 1 1 256 256 ALA C C 268 179.251 179.251 180.061 -0.810 17614 2197 1 2 . 1 1 256 256 ALA CA C 268 54.631 54.631 54.667 -0.036 17614 2198 1 2 . 1 1 256 256 ALA CB C 268 18.683 18.683 17.972 0.711 17614 2199 1 2 . 1 1 256 256 ALA H H 268 7.963 7.963 7.603 0.360 17614 2200 1 2 . 1 1 257 257 PHE N N 269 117.096 117.096 117.558 -0.462 17614 2201 1 2 . 1 1 257 257 PHE C C 269 175.987 175.987 177.231 -1.244 17614 2202 1 2 . 1 1 257 257 PHE CA C 269 61.037 61.037 61.457 -0.420 17614 2203 1 2 . 1 1 257 257 PHE CB C 269 38.637 38.637 38.567 0.070 17614 2204 1 2 . 1 1 257 257 PHE H H 269 7.832 7.832 7.427 0.405 17614 2205 1 2 . 1 1 258 258 TYR N N 270 118.496 118.496 118.752 -0.256 17614 2206 1 2 . 1 1 258 258 TYR C C 270 176.250 176.250 176.254 -0.004 17614 2207 1 2 . 1 1 258 258 TYR CA C 270 60.116 60.116 60.120 -0.003 17614 2208 1 2 . 1 1 258 258 TYR CB C 270 38.882 38.882 39.294 -0.412 17614 2209 1 2 . 1 1 258 258 TYR H H 270 7.813 7.813 7.585 0.228 17614 2210 1 2 . 1 1 259 259 LYS N N 271 119.458 119.458 119.778 -0.320 17614 2211 1 2 . 1 1 259 259 LYS C C 271 177.696 177.696 176.982 0.714 17614 2212 1 2 . 1 1 259 259 LYS CA C 271 57.192 57.192 56.127 1.065 17614 2213 1 2 . 1 1 259 259 LYS CB C 271 32.734 32.734 33.220 -0.486 17614 2214 1 2 . 1 1 259 259 LYS H H 271 7.864 7.864 7.874 -0.010 17614 2215 1 2 . 1 1 260 260 GLY N N 272 106.217 106.217 107.608 -1.391 17614 2216 1 2 . 1 1 260 260 GLY C C 272 173.967 173.967 173.962 0.005 17614 2217 1 2 . 1 1 260 260 GLY CA C 272 46.117 46.117 45.977 0.140 17614 2218 1 2 . 1 1 260 260 GLY H H 272 7.622 7.622 8.616 -0.994 17614 2219 1 2 . 1 1 261 261 PHE N N 273 118.847 118.847 117.211 1.636 17614 2220 1 2 . 1 1 261 261 PHE C C 273 175.055 175.055 174.793 0.262 17614 2221 1 2 . 1 1 261 261 PHE CA C 273 57.721 57.721 57.252 0.469 17614 2222 1 2 . 1 1 261 261 PHE CB C 273 40.183 40.183 38.676 1.507 17614 2223 1 2 . 1 1 261 261 PHE H H 273 7.677 7.677 7.691 -0.014 17614 2224 1 2 . 1 1 265 265 PHE C C 277 176.602 176.602 176.889 -0.287 17614 2225 1 2 . 1 1 265 265 PHE CA C 277 61.838 61.838 61.346 0.492 17614 2226 1 2 . 1 1 265 265 PHE CB C 277 39.537 39.537 39.348 0.189 17614 2227 1 2 . 1 1 265 265 PHE H H 277 7.695 7.695 8.480 -0.785 17614 2228 1 2 . 1 1 266 266 LEU N N 278 118.465 118.465 119.983 -1.518 17614 2229 1 2 . 1 1 266 266 LEU C C 278 177.152 177.152 178.542 -1.390 17614 2230 1 2 . 1 1 266 266 LEU CA C 278 56.115 56.115 58.214 -2.099 17614 2231 1 2 . 1 1 266 266 LEU CB C 278 42.398 42.398 41.882 0.516 17614 2232 1 2 . 1 1 266 266 LEU H H 278 8.104 8.104 7.773 0.331 17614 2233 1 2 . 1 1 267 267 ARG N N 279 118.749 118.749 118.827 -0.078 17614 2234 1 2 . 1 1 267 267 ARG C C 279 176.608 176.608 179.045 -2.437 17614 2235 1 2 . 1 1 267 267 ARG CA C 279 56.938 56.938 58.641 -1.703 17614 2236 1 2 . 1 1 267 267 ARG CB C 279 30.659 30.659 29.620 1.039 17614 2237 1 2 . 1 1 267 267 ARG H H 279 7.472 7.472 7.833 -0.361 17614 2238 1 2 . 1 1 268 268 LEU N N 280 120.305 120.305 120.696 -0.391 17614 2239 1 2 . 1 1 268 268 LEU C C 280 177.540 177.540 178.660 -1.120 17614 2240 1 2 . 1 1 268 268 LEU CA C 280 57.094 57.094 57.997 -0.903 17614 2241 1 2 . 1 1 268 268 LEU CB C 280 42.027 42.027 41.388 0.639 17614 2242 1 2 . 1 1 268 268 LEU H H 280 7.690 7.690 8.407 -0.717 17614 2243 1 2 . 1 1 269 269 GLY N N 281 106.837 106.837 105.752 1.085 17614 2244 1 2 . 1 1 269 269 GLY C C 281 174.045 174.045 175.882 -1.837 17614 2245 1 2 . 1 1 269 269 GLY CA C 281 46.967 46.967 47.365 -0.398 17614 2246 1 2 . 1 1 269 269 GLY H H 281 7.881 7.881 7.714 0.167 17614 2247 1 2 . 1 1 270 270 SER N N 282 115.531 115.531 118.232 -2.701 17614 2248 1 2 . 1 1 270 270 SER C C 282 174.123 174.123 176.471 -2.348 17614 2249 1 2 . 1 1 270 270 SER CA C 282 58.796 58.796 61.285 -2.489 17614 2250 1 2 . 1 1 270 270 SER CB C 282 58.975 58.975 63.047 -4.072 17614 2251 1 2 . 1 1 270 270 SER H H 282 7.813 7.813 7.568 0.245 17614 2252 1 2 . 1 1 271 271 TRP N N 283 122.851 122.851 123.738 -0.887 17614 2253 1 2 . 1 1 271 271 TRP C C 283 176.142 176.142 177.599 -1.457 17614 2254 1 2 . 1 1 271 271 TRP CA C 283 59.221 59.221 61.584 -2.363 17614 2255 1 2 . 1 1 271 271 TRP CB C 283 30.446 30.446 29.535 0.911 17614 2256 1 2 . 1 1 271 271 TRP H H 283 8.186 8.186 8.514 -0.328 17614 2257 1 2 . 1 1 272 272 ASN N N 284 118.459 118.459 117.309 1.150 17614 2258 1 2 . 1 1 272 272 ASN CA C 284 55.325 55.325 56.009 -0.684 17614 2259 1 2 . 1 1 272 272 ASN CB C 284 39.504 39.504 37.845 1.659 17614 2260 1 2 . 1 1 272 272 ASN H H 284 8.127 8.127 7.960 0.167 17614 2261 1 2 . 1 1 273 273 VAL C C 285 177.263 177.263 177.354 -0.091 17614 2262 1 2 . 1 1 273 273 VAL H H 285 7.854 7.854 7.300 0.554 17614 2263 1 2 . 1 1 274 274 VAL N N 286 119.883 119.883 117.409 2.474 17614 2264 1 2 . 1 1 274 274 VAL C C 286 177.072 177.072 177.184 -0.112 17614 2265 1 2 . 1 1 274 274 VAL CA C 286 64.717 64.717 66.240 -1.522 17614 2266 1 2 . 1 1 274 274 VAL CB C 286 29.553 29.553 31.493 -1.940 17614 2267 1 2 . 1 1 274 274 VAL H H 286 7.483 7.483 7.149 0.334 17614 2268 1 2 . 1 1 275 275 MET N N 287 120.401 120.401 118.421 1.980 17614 2269 1 2 . 1 1 275 275 MET C C 287 177.594 177.594 178.774 -1.180 17614 2270 1 2 . 1 1 275 275 MET CA C 287 57.654 57.654 57.626 0.028 17614 2271 1 2 . 1 1 275 275 MET CB C 287 31.592 31.592 31.189 0.403 17614 2272 1 2 . 1 1 275 275 MET H H 287 8.118 8.118 7.154 0.964 17614 2273 1 2 . 1 1 276 276 PHE N N 288 122.234 122.234 120.636 1.598 17614 2274 1 2 . 1 1 276 276 PHE C C 288 176.498 176.498 177.737 -1.239 17614 2275 1 2 . 1 1 276 276 PHE CA C 288 61.766 61.766 62.129 -0.363 17614 2276 1 2 . 1 1 276 276 PHE CB C 288 39.031 39.031 39.137 -0.106 17614 2277 1 2 . 1 1 276 276 PHE H H 288 7.878 7.878 7.752 0.126 17614 2278 1 2 . 1 1 277 277 VAL N N 289 118.907 118.907 119.321 -0.414 17614 2279 1 2 . 1 1 277 277 VAL CA C 289 64.566 64.566 66.440 -1.874 17614 2280 1 2 . 1 1 277 277 VAL CB C 289 30.544 30.544 31.658 -1.114 17614 2281 1 2 . 1 1 277 277 VAL H H 289 7.913 7.913 7.650 0.263 17614 2282 1 2 . 1 1 278 278 THR C C 290 175.376 175.376 176.557 -1.181 17614 2283 1 2 . 1 1 278 278 THR H H 290 8.095 8.095 7.509 0.586 17614 2284 1 2 . 1 1 279 279 TYR N N 291 118.029 118.029 120.730 -2.701 17614 2285 1 2 . 1 1 279 279 TYR C C 291 176.919 176.919 177.441 -0.522 17614 2286 1 2 . 1 1 279 279 TYR CA C 291 61.717 61.717 61.547 0.170 17614 2287 1 2 . 1 1 279 279 TYR CB C 291 38.020 38.020 37.777 0.243 17614 2288 1 2 . 1 1 279 279 TYR H H 291 7.986 7.986 7.573 0.413 17614 2289 1 2 . 1 1 280 280 GLU N N 292 118.005 118.005 119.427 -1.422 17614 2290 1 2 . 1 1 280 280 GLU C C 292 176.686 176.686 178.884 -2.198 17614 2291 1 2 . 1 1 280 280 GLU CA C 292 60.084 60.084 59.835 0.249 17614 2292 1 2 . 1 1 280 280 GLU CB C 292 29.443 29.443 29.182 0.261 17614 2293 1 2 . 1 1 280 280 GLU H H 292 8.359 8.359 8.157 0.202 17614 2294 1 2 . 1 1 281 281 GLN N N 293 118.746 118.746 118.005 0.741 17614 2295 1 2 . 1 1 281 281 GLN C C 293 176.210 176.210 178.267 -2.057 17614 2296 1 2 . 1 1 281 281 GLN CA C 293 58.986 58.986 58.465 0.521 17614 2297 1 2 . 1 1 281 281 GLN CB C 293 28.784 28.784 28.704 0.080 17614 2298 1 2 . 1 1 281 281 GLN H H 293 7.704 7.704 7.529 0.175 17614 2299 1 2 . 1 1 282 282 LEU N N 294 120.970 120.970 118.176 2.794 17614 2300 1 2 . 1 1 282 282 LEU C C 294 178.084 178.084 178.278 -0.194 17614 2301 1 2 . 1 1 282 282 LEU CA C 294 58.741 58.741 57.256 1.485 17614 2302 1 2 . 1 1 282 282 LEU CB C 294 41.451 41.451 41.664 -0.213 17614 2303 1 2 . 1 1 282 282 LEU H H 294 7.995 7.995 7.462 0.533 17614 2304 1 2 . 1 1 283 283 LYS N N 295 117.756 117.756 116.862 0.894 17614 2305 1 2 . 1 1 283 283 LYS CA C 295 59.048 59.048 58.393 0.655 17614 2306 1 2 . 1 1 283 283 LYS CB C 295 31.871 31.871 32.981 -1.111 17614 2307 1 2 . 1 1 283 283 LYS H H 295 7.731 7.731 7.893 -0.162 17614 2308 1 2 . 1 1 284 284 ARG H H 296 7.895 7.895 7.995 -0.100 17614 2309 1 2 . 1 1 285 285 ALA C C 297 176.488 176.488 176.925 -0.437 17614 2310 1 2 . 1 1 285 285 ALA H H 297 8.223 8.223 8.367 -0.144 17614 2311 1 2 . 1 1 286 286 LEU N N 298 117.376 117.376 120.152 -2.776 17614 2312 1 2 . 1 1 286 286 LEU C C 298 178.628 178.628 176.439 2.189 17614 2313 1 2 . 1 1 286 286 LEU CA C 298 58.217 58.217 55.706 2.511 17614 2314 1 2 . 1 1 286 286 LEU CB C 298 41.905 41.905 42.487 -0.582 17614 2315 1 2 . 1 1 286 286 LEU H H 298 7.947 7.947 8.210 -0.263 17614 2316 1 2 . 1 1 287 287 MET N N 299 127.376 127.376 119.480 7.896 17614 2317 1 2 . 1 1 287 287 MET C C 299 178.472 178.472 174.396 4.076 17614 2318 1 2 . 1 1 287 287 MET CA C 299 58.461 58.461 55.830 2.631 17614 2319 1 2 . 1 1 287 287 MET CB C 299 32.110 32.110 32.782 -0.672 17614 2320 1 2 . 1 1 287 287 MET H H 299 8.182 8.182 8.374 -0.192 17614 2321 1 2 . 1 1 288 288 ALA N N 300 121.854 121.854 124.207 -2.353 17614 2322 1 2 . 1 1 288 288 ALA C C 300 180.197 180.197 175.853 4.344 17614 2323 1 2 . 1 1 288 288 ALA CA C 300 55.617 55.617 52.784 2.833 17614 2324 1 2 . 1 1 288 288 ALA CB C 300 18.215 18.215 19.867 -1.653 17614 2325 1 2 . 1 1 288 288 ALA H H 300 7.841 7.841 8.097 -0.256 17614 2326 1 2 . 1 1 289 289 ALA N N 301 121.224 121.224 127.105 -5.881 17614 2327 1 2 . 1 1 289 289 ALA C C 301 178.939 178.939 178.110 0.829 17614 2328 1 2 . 1 1 289 289 ALA CA C 301 55.186 55.186 54.460 0.726 17614 2329 1 2 . 1 1 289 289 ALA CB C 301 18.735 18.735 18.960 -0.225 17614 2330 1 2 . 1 1 289 289 ALA H H 301 7.872 7.872 8.729 -0.857 17614 2331 1 2 . 1 1 290 290 TYR N N 302 118.183 118.183 119.688 -1.505 17614 2332 1 2 . 1 1 290 290 TYR C C 302 176.841 176.841 177.899 -1.058 17614 2333 1 2 . 1 1 290 290 TYR CA C 302 60.868 60.868 61.700 -0.832 17614 2334 1 2 . 1 1 290 290 TYR CB C 302 39.344 39.344 37.926 1.418 17614 2335 1 2 . 1 1 290 290 TYR H H 302 8.100 8.100 8.545 -0.445 17614 2336 1 2 . 1 1 291 291 GLN N N 303 117.243 117.243 117.476 -0.233 17614 2337 1 2 . 1 1 291 291 GLN C C 303 176.997 176.997 178.586 -1.589 17614 2338 1 2 . 1 1 291 291 GLN CA C 303 58.787 58.787 59.407 -0.620 17614 2339 1 2 . 1 1 291 291 GLN CB C 303 29.216 29.216 28.431 0.785 17614 2340 1 2 . 1 1 291 291 GLN H H 303 8.059 8.059 8.628 -0.569 17614 2341 1 2 . 1 1 292 292 SER N N 304 114.721 114.721 115.169 -0.448 17614 2342 1 2 . 1 1 292 292 SER C C 304 174.511 174.511 175.863 -1.352 17614 2343 1 2 . 1 1 292 292 SER CA C 304 59.720 59.720 61.358 -1.638 17614 2344 1 2 . 1 1 292 292 SER CB C 304 63.896 63.896 63.313 0.583 17614 2345 1 2 . 1 1 292 292 SER H H 304 7.718 7.718 7.773 -0.055 17614 2346 1 2 . 1 1 293 293 ARG N N 305 121.401 121.401 119.715 1.686 17614 2347 1 2 . 1 1 293 293 ARG C C 305 175.521 175.521 177.753 -2.232 17614 2348 1 2 . 1 1 293 293 ARG CA C 305 59.639 59.639 58.595 1.044 17614 2349 1 2 . 1 1 293 293 ARG CB C 305 30.568 30.568 30.314 0.254 17614 2350 1 2 . 1 1 293 293 ARG H H 305 7.609 7.609 8.026 -0.417 17614 2351 1 2 . 1 1 294 294 GLU N N 306 120.090 120.090 118.046 2.044 17614 2352 1 2 . 1 1 294 294 GLU C C 306 177.648 177.648 178.762 -1.114 17614 2353 1 2 . 1 1 294 294 GLU CA C 306 59.624 59.624 58.794 0.830 17614 2354 1 2 . 1 1 294 294 GLU CB C 306 30.362 30.362 29.678 0.684 17614 2355 1 2 . 1 1 294 294 GLU H H 306 7.909 7.909 7.636 0.273 17614 2356 1 2 . 1 1 295 295 ALA N N 307 121.234 121.234 123.951 -2.717 17614 2357 1 2 . 1 1 295 295 ALA C C 307 176.014 176.014 176.862 -0.848 17614 2358 1 2 . 1 1 295 295 ALA CA C 307 56.844 56.844 55.055 1.789 17614 2359 1 2 . 1 1 295 295 ALA CB C 307 17.735 17.735 17.159 0.576 17614 2360 1 2 . 1 1 295 295 ALA H H 307 7.760 7.760 7.690 0.070 17614 2361 1 3 . 1 1 3 3 VAL N N 15 123.095 123.095 122.184 0.911 17614 2362 1 3 . 1 1 3 3 VAL C C 15 176.453 176.453 174.859 1.594 17614 2363 1 3 . 1 1 3 3 VAL CA C 15 63.979 63.979 61.160 2.819 17614 2364 1 3 . 1 1 3 3 VAL CB C 15 32.507 32.507 35.166 -2.659 17614 2365 1 3 . 1 1 3 3 VAL H H 15 8.053 8.053 7.629 0.424 17614 2366 1 3 . 1 1 4 4 LYS N N 16 123.075 123.075 122.873 0.202 17614 2367 1 3 . 1 1 4 4 LYS C C 16 176.841 176.841 178.539 -1.698 17614 2368 1 3 . 1 1 4 4 LYS CA C 16 59.762 59.762 59.096 0.666 17614 2369 1 3 . 1 1 4 4 LYS CB C 16 32.751 32.751 32.477 0.274 17614 2370 1 3 . 1 1 4 4 LYS H H 16 8.059 8.059 8.489 -0.430 17614 2371 1 3 . 1 1 5 5 PHE N N 17 118.838 118.838 119.892 -1.054 17614 2372 1 3 . 1 1 5 5 PHE C C 17 175.443 175.443 177.252 -1.809 17614 2373 1 3 . 1 1 5 5 PHE CA C 17 59.915 59.915 60.667 -0.752 17614 2374 1 3 . 1 1 5 5 PHE CB C 17 39.659 39.659 38.824 0.835 17614 2375 1 3 . 1 1 5 5 PHE H H 17 7.909 7.909 8.103 -0.194 17614 2376 1 3 . 1 1 6 6 LEU N N 18 119.089 119.089 120.185 -1.096 17614 2377 1 3 . 1 1 6 6 LEU C C 18 177.195 177.195 177.629 -0.434 17614 2378 1 3 . 1 1 6 6 LEU CA C 18 55.385 55.385 56.711 -1.326 17614 2379 1 3 . 1 1 6 6 LEU CB C 18 42.905 42.905 41.771 1.134 17614 2380 1 3 . 1 1 6 6 LEU H H 18 7.814 7.814 8.161 -0.347 17614 2381 1 3 . 1 1 7 7 GLY N N 19 108.484 108.484 107.772 0.712 17614 2382 1 3 . 1 1 7 7 GLY C C 19 174.967 174.967 175.529 -0.562 17614 2383 1 3 . 1 1 7 7 GLY CA C 19 45.518 45.518 47.119 -1.601 17614 2384 1 3 . 1 1 7 7 GLY H H 19 8.032 8.032 8.305 -0.273 17614 2385 1 3 . 1 1 8 8 ALA N N 20 124.208 124.208 123.735 0.473 17614 2386 1 3 . 1 1 8 8 ALA C C 20 179.405 179.405 178.907 0.498 17614 2387 1 3 . 1 1 8 8 ALA CA C 20 54.531 54.531 54.399 0.132 17614 2388 1 3 . 1 1 8 8 ALA CB C 20 18.995 18.995 18.270 0.725 17614 2389 1 3 . 1 1 8 8 ALA H H 20 8.318 8.318 8.019 0.299 17614 2390 1 3 . 1 1 9 9 GLY N N 21 108.209 108.209 107.011 1.198 17614 2391 1 3 . 1 1 9 9 GLY C C 21 175.676 175.676 175.990 -0.314 17614 2392 1 3 . 1 1 9 9 GLY CA C 21 46.742 46.742 47.280 -0.538 17614 2393 1 3 . 1 1 9 9 GLY H H 21 8.523 8.523 8.114 0.409 17614 2394 1 3 . 1 1 10 10 THR N N 22 119.542 119.542 115.396 4.146 17614 2395 1 3 . 1 1 10 10 THR C C 22 175.661 175.661 176.153 -0.492 17614 2396 1 3 . 1 1 10 10 THR CA C 22 66.401 66.401 65.122 1.279 17614 2397 1 3 . 1 1 10 10 THR CB C 22 68.866 68.866 68.256 0.610 17614 2398 1 3 . 1 1 10 10 THR H H 22 7.881 7.881 8.211 -0.330 17614 2399 1 3 . 1 1 11 11 ALA N N 23 123.431 123.431 123.882 -0.451 17614 2400 1 3 . 1 1 11 11 ALA C C 23 178.628 178.628 179.068 -0.440 17614 2401 1 3 . 1 1 11 11 ALA CA C 23 55.480 55.480 54.751 0.730 17614 2402 1 3 . 1 1 11 11 ALA CB C 23 18.218 18.218 17.946 0.272 17614 2403 1 3 . 1 1 11 11 ALA H H 23 8.263 8.263 7.476 0.787 17614 2404 1 3 . 1 1 12 12 ALA N N 24 119.939 119.939 120.525 -0.586 17614 2405 1 3 . 1 1 12 12 ALA C C 24 179.172 179.172 179.427 -0.255 17614 2406 1 3 . 1 1 12 12 ALA CA C 24 55.038 55.038 54.945 0.093 17614 2407 1 3 . 1 1 12 12 ALA CB C 24 18.385 18.385 17.934 0.451 17614 2408 1 3 . 1 1 12 12 ALA H H 24 7.827 7.827 8.238 -0.411 17614 2409 1 3 . 1 1 13 13 CYS N N 25 116.736 116.736 117.243 -0.507 17614 2410 1 3 . 1 1 13 13 CYS C C 25 176.220 176.220 176.805 -0.585 17614 2411 1 3 . 1 1 13 13 CYS CA C 25 58.596 58.596 63.899 -5.303 17614 2412 1 3 . 1 1 13 13 CYS CB C 25 41.771 41.771 27.660 14.111 17614 2413 1 3 . 1 1 13 13 CYS H H 25 7.677 7.677 7.382 0.295 17614 2414 1 3 . 1 1 14 14 ILE N N 26 119.154 119.154 120.596 -1.442 17614 2415 1 3 . 1 1 14 14 ILE C C 26 176.915 176.915 176.876 0.039 17614 2416 1 3 . 1 1 14 14 ILE CA C 26 64.858 64.858 64.569 0.289 17614 2417 1 3 . 1 1 14 14 ILE CB C 26 38.090 38.090 38.187 -0.097 17614 2418 1 3 . 1 1 14 14 ILE H H 26 7.899 7.899 7.590 0.309 17614 2419 1 3 . 1 1 15 15 ALA N N 27 121.116 121.116 121.498 -0.382 17614 2420 1 3 . 1 1 15 15 ALA C C 27 179.016 179.016 178.958 0.058 17614 2421 1 3 . 1 1 15 15 ALA CA C 27 55.367 55.367 55.188 0.179 17614 2422 1 3 . 1 1 15 15 ALA CB C 27 18.385 18.385 17.998 0.387 17614 2423 1 3 . 1 1 15 15 ALA H H 27 7.909 7.909 7.876 0.033 17614 2424 1 3 . 1 1 16 16 ASP N N 28 116.829 116.829 118.455 -1.626 17614 2425 1 3 . 1 1 16 16 ASP C C 28 177.643 177.643 178.216 -0.573 17614 2426 1 3 . 1 1 16 16 ASP CA C 28 56.453 56.453 56.182 0.271 17614 2427 1 3 . 1 1 16 16 ASP CB C 28 41.128 41.128 41.200 -0.073 17614 2428 1 3 . 1 1 16 16 ASP H H 28 7.554 7.554 7.499 0.055 17614 2429 1 3 . 1 1 17 17 LEU N N 29 119.672 119.672 119.870 -0.198 17614 2430 1 3 . 1 1 17 17 LEU C C 29 178.628 178.628 179.398 -0.770 17614 2431 1 3 . 1 1 17 17 LEU CA C 29 57.144 57.144 57.869 -0.725 17614 2432 1 3 . 1 1 17 17 LEU CB C 29 43.146 43.146 42.156 0.990 17614 2433 1 3 . 1 1 17 17 LEU H H 29 7.732 7.732 7.369 0.363 17614 2434 1 3 . 1 1 18 18 ILE N N 30 113.629 113.629 112.688 0.941 17614 2435 1 3 . 1 1 18 18 ILE C C 30 176.456 176.456 176.986 -0.530 17614 2436 1 3 . 1 1 18 18 ILE CA C 30 60.539 60.539 63.498 -2.959 17614 2437 1 3 . 1 1 18 18 ILE CB C 30 38.506 38.506 37.640 0.866 17614 2438 1 3 . 1 1 18 18 ILE H H 30 7.977 7.977 7.605 0.372 17614 2439 1 3 . 1 1 19 19 THR N N 31 113.314 113.314 115.642 -2.328 17614 2440 1 3 . 1 1 19 19 THR C C 31 174.045 174.045 174.908 -0.863 17614 2441 1 3 . 1 1 19 19 THR CA C 31 62.495 62.495 63.899 -1.404 17614 2442 1 3 . 1 1 19 19 THR CB C 31 69.898 69.898 69.613 0.285 17614 2443 1 3 . 1 1 19 19 THR H H 31 7.738 7.738 7.213 0.525 17614 2444 1 3 . 1 1 20 20 PHE N N 32 123.409 123.409 123.679 -0.270 17614 2445 1 3 . 1 1 20 20 PHE CA C 32 56.349 56.349 61.735 -5.386 17614 2446 1 3 . 1 1 20 20 PHE CB C 32 39.148 39.148 37.246 1.902 17614 2447 1 3 . 1 1 20 20 PHE H H 32 7.609 7.609 8.493 -0.884 17614 2448 1 3 . 1 1 21 21 PRO C C 33 177.831 177.831 177.987 -0.156 17614 2449 1 3 . 1 1 21 21 PRO CA C 33 62.656 62.656 65.222 -2.566 17614 2450 1 3 . 1 1 21 21 PRO CB C 33 34.762 34.762 30.921 3.841 17614 2451 1 3 . 1 1 22 22 LEU N N 34 124.503 124.503 117.667 6.836 17614 2452 1 3 . 1 1 22 22 LEU C C 34 176.298 176.298 178.057 -1.759 17614 2453 1 3 . 1 1 22 22 LEU CA C 34 55.545 55.545 57.198 -1.653 17614 2454 1 3 . 1 1 22 22 LEU CB C 34 43.287 43.287 41.898 1.389 17614 2455 1 3 . 1 1 22 22 LEU H H 34 8.659 8.659 7.257 1.402 17614 2456 1 3 . 1 1 23 23 ASP N N 35 121.663 121.663 118.105 3.558 17614 2457 1 3 . 1 1 23 23 ASP C C 35 177.152 177.152 178.239 -1.087 17614 2458 1 3 . 1 1 23 23 ASP CA C 35 54.326 54.326 57.597 -3.271 17614 2459 1 3 . 1 1 23 23 ASP CB C 35 41.154 41.154 40.284 0.870 17614 2460 1 3 . 1 1 23 23 ASP H H 35 8.236 8.236 7.749 0.487 17614 2461 1 3 . 1 1 24 24 THR N N 36 115.977 115.977 112.095 3.882 17614 2462 1 3 . 1 1 24 24 THR C C 36 177.088 177.088 176.059 1.029 17614 2463 1 3 . 1 1 24 24 THR CA C 36 64.868 64.868 65.896 -1.028 17614 2464 1 3 . 1 1 24 24 THR CB C 36 69.053 69.053 68.455 0.598 17614 2465 1 3 . 1 1 24 24 THR H H 36 8.127 8.127 7.682 0.445 17614 2466 1 3 . 1 1 25 25 ALA N N 37 125.063 125.063 124.104 0.959 17614 2467 1 3 . 1 1 25 25 ALA C C 37 179.143 179.143 179.219 -0.076 17614 2468 1 3 . 1 1 25 25 ALA CA C 37 55.234 55.234 55.127 0.107 17614 2469 1 3 . 1 1 25 25 ALA CB C 37 18.735 18.735 18.282 0.454 17614 2470 1 3 . 1 1 25 25 ALA H H 37 8.042 8.042 7.675 0.367 17614 2471 1 3 . 1 1 26 26 LYS N N 38 117.827 117.827 117.785 0.042 17614 2472 1 3 . 1 1 26 26 LYS C C 38 178.239 178.239 178.271 -0.032 17614 2473 1 3 . 1 1 26 26 LYS CA C 38 58.861 58.861 59.166 -0.305 17614 2474 1 3 . 1 1 26 26 LYS CB C 38 32.724 32.724 31.942 0.782 17614 2475 1 3 . 1 1 26 26 LYS H H 38 7.759 7.759 7.535 0.224 17614 2476 1 3 . 1 1 27 27 VAL N N 39 118.955 118.955 115.234 3.721 17614 2477 1 3 . 1 1 27 27 VAL C C 39 177.892 177.892 178.155 -0.263 17614 2478 1 3 . 1 1 27 27 VAL CA C 39 65.478 65.478 64.681 0.797 17614 2479 1 3 . 1 1 27 27 VAL CB C 39 34.675 34.675 31.230 3.446 17614 2480 1 3 . 1 1 27 27 VAL H H 39 7.554 7.554 7.418 0.136 17614 2481 1 3 . 1 1 28 28 ARG N N 40 119.922 119.922 119.125 0.797 17614 2482 1 3 . 1 1 28 28 ARG C C 40 178.391 178.391 178.849 -0.458 17614 2483 1 3 . 1 1 28 28 ARG CA C 40 59.648 59.648 58.824 0.824 17614 2484 1 3 . 1 1 28 28 ARG CB C 40 29.933 29.933 30.192 -0.258 17614 2485 1 3 . 1 1 28 28 ARG H H 40 7.794 7.794 7.346 0.448 17614 2486 1 3 . 1 1 29 29 LEU N N 41 118.720 118.720 120.568 -1.848 17614 2487 1 3 . 1 1 29 29 LEU CA C 41 54.749 54.749 55.139 -0.390 17614 2488 1 3 . 1 1 29 29 LEU CB C 41 40.429 40.429 38.956 1.473 17614 2489 1 3 . 1 1 29 29 LEU H H 41 7.534 7.534 7.486 0.048 17614 2490 1 3 . 1 1 37 37 GLY C C 49 174.779 174.779 175.519 -0.740 17614 2491 1 3 . 1 1 38 38 LEU N N 50 123.029 123.029 122.141 0.888 17614 2492 1 3 . 1 1 38 38 LEU C C 50 178.482 178.482 178.661 -0.179 17614 2493 1 3 . 1 1 38 38 LEU CA C 50 56.765 56.765 56.916 -0.151 17614 2494 1 3 . 1 1 38 38 LEU CB C 50 41.673 41.673 41.070 0.603 17614 2495 1 3 . 1 1 38 38 LEU H H 50 8.113 8.113 7.847 0.266 17614 2496 1 3 . 1 1 39 39 VAL N N 51 118.714 118.714 116.972 1.742 17614 2497 1 3 . 1 1 39 39 VAL C C 51 178.032 178.032 178.502 -0.470 17614 2498 1 3 . 1 1 39 39 VAL CA C 51 66.037 66.037 65.755 0.282 17614 2499 1 3 . 1 1 39 39 VAL CB C 51 30.763 30.763 31.082 -0.319 17614 2500 1 3 . 1 1 39 39 VAL H H 51 7.974 7.974 7.943 0.031 17614 2501 1 3 . 1 1 40 40 ARG N N 52 121.569 121.569 119.915 1.654 17614 2502 1 3 . 1 1 40 40 ARG CA C 52 59.167 59.167 58.888 0.279 17614 2503 1 3 . 1 1 40 40 ARG CB C 52 29.437 29.437 29.814 -0.378 17614 2504 1 3 . 1 1 40 40 ARG H H 52 8.231 8.231 8.237 -0.006 17614 2505 1 3 . 1 1 41 41 THR C C 53 175.108 175.108 174.759 0.349 17614 2506 1 3 . 1 1 41 41 THR H H 53 7.948 7.948 7.467 0.481 17614 2507 1 3 . 1 1 42 42 ALA N N 54 121.823 121.823 123.969 -2.146 17614 2508 1 3 . 1 1 42 42 ALA C C 54 174.922 174.922 175.744 -0.822 17614 2509 1 3 . 1 1 42 42 ALA CA C 54 50.101 50.101 50.970 -0.869 17614 2510 1 3 . 1 1 42 42 ALA CB C 54 18.950 18.950 19.750 -0.799 17614 2511 1 3 . 1 1 42 42 ALA H H 54 7.792 7.792 7.594 0.198 17614 2512 1 3 . 1 1 43 43 ALA N N 55 113.986 113.986 125.408 -11.422 17614 2513 1 3 . 1 1 43 43 ALA C C 55 178.007 178.007 177.131 0.876 17614 2514 1 3 . 1 1 43 43 ALA CA C 55 53.458 53.458 53.584 -0.126 17614 2515 1 3 . 1 1 43 43 ALA CB C 55 18.809 18.809 18.888 -0.079 17614 2516 1 3 . 1 1 43 43 ALA H H 55 7.333 7.333 8.570 -1.237 17614 2517 1 3 . 1 1 44 44 SER N N 56 125.425 125.425 113.814 11.611 17614 2518 1 3 . 1 1 44 44 SER C C 56 174.899 174.899 173.477 1.422 17614 2519 1 3 . 1 1 44 44 SER CA C 56 59.520 59.520 56.825 2.695 17614 2520 1 3 . 1 1 44 44 SER CB C 56 64.051 64.051 64.606 -0.555 17614 2521 1 3 . 1 1 44 44 SER H H 56 7.786 7.786 7.409 0.377 17614 2522 1 3 . 1 1 45 45 ALA N N 57 118.183 118.183 119.423 -1.240 17614 2523 1 3 . 1 1 45 45 ALA CA C 57 53.783 53.783 53.464 0.319 17614 2524 1 3 . 1 1 45 45 ALA CB C 57 17.599 17.599 17.577 0.022 17614 2525 1 3 . 1 1 45 45 ALA H H 57 8.018 8.018 7.840 0.178 17614 2526 1 3 . 1 1 47 47 TYR C C 59 177.662 177.662 175.992 1.670 17614 2527 1 3 . 1 1 48 48 ARG N N 60 122.798 122.798 120.164 2.634 17614 2528 1 3 . 1 1 48 48 ARG C C 60 177.956 177.956 176.582 1.374 17614 2529 1 3 . 1 1 48 48 ARG CA C 60 58.711 58.711 57.349 1.362 17614 2530 1 3 . 1 1 48 48 ARG CB C 60 30.659 30.659 30.248 0.411 17614 2531 1 3 . 1 1 48 48 ARG H H 60 8.311 8.311 8.642 -0.331 17614 2532 1 3 . 1 1 49 49 GLY N N 61 109.033 109.033 107.984 1.049 17614 2533 1 3 . 1 1 49 49 GLY C C 61 176.064 176.064 175.368 0.696 17614 2534 1 3 . 1 1 49 49 GLY CA C 61 46.592 46.592 45.237 1.355 17614 2535 1 3 . 1 1 49 49 GLY H H 61 8.182 8.182 8.062 0.120 17614 2536 1 3 . 1 1 50 50 VAL N N 62 123.218 123.218 126.037 -2.819 17614 2537 1 3 . 1 1 50 50 VAL C C 62 177.540 177.540 177.342 0.198 17614 2538 1 3 . 1 1 50 50 VAL CA C 62 66.277 66.277 64.682 1.595 17614 2539 1 3 . 1 1 50 50 VAL CB C 62 32.355 32.355 32.295 0.060 17614 2540 1 3 . 1 1 50 50 VAL H H 62 8.105 8.105 8.466 -0.361 17614 2541 1 3 . 1 1 51 51 LEU N N 63 120.295 120.295 119.030 1.265 17614 2542 1 3 . 1 1 51 51 LEU C C 63 178.628 178.628 178.958 -0.330 17614 2543 1 3 . 1 1 51 51 LEU CA C 63 58.366 58.366 57.463 0.903 17614 2544 1 3 . 1 1 51 51 LEU CB C 63 41.675 41.675 40.535 1.141 17614 2545 1 3 . 1 1 51 51 LEU H H 63 8.182 8.182 8.379 -0.197 17614 2546 1 3 . 1 1 52 52 GLY N N 64 106.013 106.013 105.868 0.145 17614 2547 1 3 . 1 1 52 52 GLY C C 64 176.531 176.531 176.330 0.201 17614 2548 1 3 . 1 1 52 52 GLY CA C 64 47.765 47.765 47.363 0.402 17614 2549 1 3 . 1 1 52 52 GLY H H 64 8.102 8.102 7.739 0.363 17614 2550 1 3 . 1 1 53 53 THR N N 65 120.842 120.842 117.015 3.827 17614 2551 1 3 . 1 1 53 53 THR C C 65 176.453 176.453 176.347 0.106 17614 2552 1 3 . 1 1 53 53 THR CA C 65 67.140 67.140 65.450 1.690 17614 2553 1 3 . 1 1 53 53 THR CB C 65 69.161 69.161 68.593 0.568 17614 2554 1 3 . 1 1 53 53 THR H H 65 7.854 7.854 7.495 0.359 17614 2555 1 3 . 1 1 54 54 ILE N N 66 122.676 122.676 122.638 0.038 17614 2556 1 3 . 1 1 54 54 ILE C C 66 177.307 177.307 177.248 0.059 17614 2557 1 3 . 1 1 54 54 ILE CA C 66 65.832 65.832 64.144 1.688 17614 2558 1 3 . 1 1 54 54 ILE CB C 66 38.090 38.090 37.861 0.229 17614 2559 1 3 . 1 1 54 54 ILE H H 66 8.018 8.018 7.433 0.585 17614 2560 1 3 . 1 1 55 55 LEU N N 67 119.838 119.838 118.751 1.087 17614 2561 1 3 . 1 1 55 55 LEU C C 67 178.706 178.706 178.274 0.432 17614 2562 1 3 . 1 1 55 55 LEU CA C 67 58.491 58.491 58.185 0.305 17614 2563 1 3 . 1 1 55 55 LEU CB C 67 41.387 41.387 41.543 -0.156 17614 2564 1 3 . 1 1 55 55 LEU H H 67 8.291 8.291 7.462 0.829 17614 2565 1 3 . 1 1 56 56 THR N N 68 115.362 115.362 115.023 0.339 17614 2566 1 3 . 1 1 56 56 THR C C 68 176.764 176.764 176.805 -0.041 17614 2567 1 3 . 1 1 56 56 THR CA C 68 67.040 67.040 66.492 0.548 17614 2568 1 3 . 1 1 56 56 THR CB C 68 69.403 69.403 68.844 0.559 17614 2569 1 3 . 1 1 56 56 THR H H 68 7.963 7.963 7.300 0.663 17614 2570 1 3 . 1 1 57 57 MET N N 69 122.960 122.960 119.839 3.121 17614 2571 1 3 . 1 1 57 57 MET C C 69 177.153 177.153 177.619 -0.466 17614 2572 1 3 . 1 1 57 57 MET CA C 69 59.710 59.710 58.958 0.752 17614 2573 1 3 . 1 1 57 57 MET CB C 69 33.111 33.111 32.141 0.970 17614 2574 1 3 . 1 1 57 57 MET H H 69 7.977 7.977 7.655 0.322 17614 2575 1 3 . 1 1 58 58 VAL N N 70 119.558 119.558 114.870 4.688 17614 2576 1 3 . 1 1 58 58 VAL C C 70 176.841 176.841 177.356 -0.515 17614 2577 1 3 . 1 1 58 58 VAL CA C 70 66.277 66.277 64.542 1.735 17614 2578 1 3 . 1 1 58 58 VAL CB C 70 31.362 31.362 31.305 0.057 17614 2579 1 3 . 1 1 58 58 VAL H H 70 7.751 7.751 7.448 0.303 17614 2580 1 3 . 1 1 59 59 ARG N N 71 118.002 118.002 117.555 0.447 17614 2581 1 3 . 1 1 59 59 ARG C C 71 177.152 177.152 178.175 -1.023 17614 2582 1 3 . 1 1 59 59 ARG CA C 71 58.761 58.761 58.107 0.654 17614 2583 1 3 . 1 1 59 59 ARG CB C 71 30.656 30.656 29.660 0.996 17614 2584 1 3 . 1 1 59 59 ARG H H 71 7.827 7.827 7.563 0.264 17614 2585 1 3 . 1 1 60 60 THR N N 72 111.410 111.410 113.855 -2.445 17614 2586 1 3 . 1 1 60 60 THR C C 72 175.288 175.288 175.959 -0.671 17614 2587 1 3 . 1 1 60 60 THR CA C 72 64.194 64.194 64.906 -0.712 17614 2588 1 3 . 1 1 60 60 THR CB C 72 70.312 70.312 68.917 1.395 17614 2589 1 3 . 1 1 60 60 THR H H 72 7.745 7.745 7.765 -0.020 17614 2590 1 3 . 1 1 61 61 GLU N N 73 120.577 120.577 120.640 -0.063 17614 2591 1 3 . 1 1 61 61 GLU C C 73 177.696 177.696 176.317 1.379 17614 2592 1 3 . 1 1 61 61 GLU CA C 73 57.363 57.363 56.486 0.876 17614 2593 1 3 . 1 1 61 61 GLU CB C 73 30.927 30.927 31.264 -0.337 17614 2594 1 3 . 1 1 61 61 GLU H H 73 8.263 8.263 8.197 0.066 17614 2595 1 3 . 1 1 62 62 GLY N N 74 108.209 108.209 106.027 2.182 17614 2596 1 3 . 1 1 62 62 GLY CA C 74 45.593 45.593 44.801 0.792 17614 2597 1 3 . 1 1 62 62 GLY H H 74 7.841 7.841 7.474 0.367 17614 2598 1 3 . 1 1 63 63 PRO C C 75 177.152 177.152 178.514 -1.362 17614 2599 1 3 . 1 1 63 63 PRO CA C 75 65.652 65.652 64.522 1.130 17614 2600 1 3 . 1 1 63 63 PRO CB C 75 32.294 32.294 32.173 0.121 17614 2601 1 3 . 1 1 64 64 ARG N N 76 118.553 118.553 117.544 1.009 17614 2602 1 3 . 1 1 64 64 ARG C C 76 177.696 177.696 177.604 0.092 17614 2603 1 3 . 1 1 64 64 ARG CA C 76 59.785 59.785 58.257 1.528 17614 2604 1 3 . 1 1 64 64 ARG CB C 76 29.671 29.671 29.837 -0.166 17614 2605 1 3 . 1 1 64 64 ARG H H 76 8.427 8.427 8.523 -0.096 17614 2606 1 3 . 1 1 65 65 SER N N 77 115.323 115.323 113.108 2.215 17614 2607 1 3 . 1 1 65 65 SER C C 77 177.230 177.230 175.430 1.800 17614 2608 1 3 . 1 1 65 65 SER CA C 77 61.318 61.318 60.886 0.432 17614 2609 1 3 . 1 1 65 65 SER CB C 77 63.281 63.281 63.637 -0.356 17614 2610 1 3 . 1 1 65 65 SER H H 77 7.963 7.963 8.105 -0.142 17614 2611 1 3 . 1 1 66 66 LEU N N 78 122.598 122.598 120.643 1.955 17614 2612 1 3 . 1 1 66 66 LEU C C 78 177.696 177.696 177.542 0.154 17614 2613 1 3 . 1 1 66 66 LEU CA C 78 57.792 57.792 56.462 1.330 17614 2614 1 3 . 1 1 66 66 LEU CB C 78 42.202 42.202 42.395 -0.193 17614 2615 1 3 . 1 1 66 66 LEU H H 78 7.595 7.595 7.505 0.090 17614 2616 1 3 . 1 1 67 67 TYR N N 79 119.276 119.276 113.130 6.146 17614 2617 1 3 . 1 1 67 67 TYR C C 79 176.142 176.142 175.184 0.958 17614 2618 1 3 . 1 1 67 67 TYR CA C 79 60.792 60.792 58.884 1.908 17614 2619 1 3 . 1 1 67 67 TYR CB C 79 38.687 38.687 38.843 -0.156 17614 2620 1 3 . 1 1 67 67 TYR H H 79 7.868 7.868 7.482 0.386 17614 2621 1 3 . 1 1 68 68 ASN N N 80 117.249 117.249 118.636 -1.387 17614 2622 1 3 . 1 1 68 68 ASN C C 80 178.472 178.472 175.740 2.732 17614 2623 1 3 . 1 1 68 68 ASN CA C 80 53.024 53.024 53.841 -0.817 17614 2624 1 3 . 1 1 68 68 ASN CB C 80 37.946 37.946 39.028 -1.082 17614 2625 1 3 . 1 1 68 68 ASN H H 80 8.374 8.374 7.364 1.010 17614 2626 1 3 . 1 1 69 69 GLY N N 81 108.575 108.575 113.957 -5.382 17614 2627 1 3 . 1 1 69 69 GLY C C 81 175.521 175.521 175.330 0.191 17614 2628 1 3 . 1 1 69 69 GLY CA C 81 46.266 46.266 45.544 0.722 17614 2629 1 3 . 1 1 69 69 GLY H H 81 8.086 8.086 8.622 -0.536 17614 2630 1 3 . 1 1 70 70 LEU N N 82 124.326 124.326 122.259 2.067 17614 2631 1 3 . 1 1 70 70 LEU C C 82 178.239 178.239 177.810 0.429 17614 2632 1 3 . 1 1 70 70 LEU CA C 82 58.217 58.217 57.101 1.116 17614 2633 1 3 . 1 1 70 70 LEU CB C 82 42.351 42.351 41.954 0.397 17614 2634 1 3 . 1 1 70 70 LEU H H 82 7.991 7.991 7.411 0.580 17614 2635 1 3 . 1 1 71 71 VAL N N 83 117.727 117.727 117.073 0.654 17614 2636 1 3 . 1 1 71 71 VAL C C 83 177.851 177.851 177.243 0.608 17614 2637 1 3 . 1 1 71 71 VAL CA C 83 64.113 64.113 65.404 -1.291 17614 2638 1 3 . 1 1 71 71 VAL CB C 83 31.924 31.924 31.238 0.686 17614 2639 1 3 . 1 1 71 71 VAL H H 83 8.004 8.004 8.189 -0.185 17614 2640 1 3 . 1 1 72 72 ALA N N 84 121.414 121.414 122.469 -1.055 17614 2641 1 3 . 1 1 72 72 ALA C C 84 180.570 180.570 179.239 1.331 17614 2642 1 3 . 1 1 72 72 ALA CA C 84 55.031 55.031 54.383 0.648 17614 2643 1 3 . 1 1 72 72 ALA CB C 84 18.286 18.286 18.219 0.067 17614 2644 1 3 . 1 1 72 72 ALA H H 84 7.677 7.677 7.631 0.046 17614 2645 1 3 . 1 1 73 73 GLY N N 85 106.471 106.471 107.497 -1.026 17614 2646 1 3 . 1 1 73 73 GLY C C 85 175.521 175.521 176.094 -0.573 17614 2647 1 3 . 1 1 73 73 GLY CA C 85 47.191 47.191 46.695 0.496 17614 2648 1 3 . 1 1 73 73 GLY H H 85 7.963 7.963 7.487 0.476 17614 2649 1 3 . 1 1 74 74 LEU N N 86 122.326 122.326 122.031 0.295 17614 2650 1 3 . 1 1 74 74 LEU C C 86 178.239 178.239 178.728 -0.489 17614 2651 1 3 . 1 1 74 74 LEU CA C 86 57.493 57.493 57.516 -0.023 17614 2652 1 3 . 1 1 74 74 LEU CB C 86 42.202 42.202 40.994 1.208 17614 2653 1 3 . 1 1 74 74 LEU H H 86 8.100 8.100 7.433 0.667 17614 2654 1 3 . 1 1 75 75 GLN N N 87 117.736 117.736 117.805 -0.069 17614 2655 1 3 . 1 1 75 75 GLN C C 87 177.340 177.340 177.849 -0.509 17614 2656 1 3 . 1 1 75 75 GLN CA C 87 57.787 57.787 59.105 -1.318 17614 2657 1 3 . 1 1 75 75 GLN CB C 87 28.942 28.942 28.536 0.406 17614 2658 1 3 . 1 1 75 75 GLN H H 87 8.004 8.004 7.841 0.163 17614 2659 1 3 . 1 1 76 76 ARG N N 88 118.107 118.107 119.034 -0.927 17614 2660 1 3 . 1 1 76 76 ARG C C 88 177.930 177.930 178.624 -0.694 17614 2661 1 3 . 1 1 76 76 ARG CA C 88 58.062 58.062 59.495 -1.433 17614 2662 1 3 . 1 1 76 76 ARG CB C 88 30.774 30.774 29.832 0.942 17614 2663 1 3 . 1 1 76 76 ARG H H 88 7.568 7.568 7.280 0.288 17614 2664 1 3 . 1 1 77 77 GLN N N 89 117.921 117.921 117.930 -0.009 17614 2665 1 3 . 1 1 77 77 GLN C C 89 177.375 177.375 178.254 -0.879 17614 2666 1 3 . 1 1 77 77 GLN CA C 89 56.838 56.838 58.204 -1.366 17614 2667 1 3 . 1 1 77 77 GLN CB C 89 29.006 29.006 28.212 0.794 17614 2668 1 3 . 1 1 77 77 GLN H H 89 7.827 7.827 7.544 0.283 17614 2669 1 3 . 1 1 78 78 MET N N 90 118.378 118.378 119.933 -1.555 17614 2670 1 3 . 1 1 78 78 MET C C 90 176.365 176.365 178.296 -1.931 17614 2671 1 3 . 1 1 78 78 MET CA C 90 56.339 56.339 57.988 -1.649 17614 2672 1 3 . 1 1 78 78 MET CB C 90 33.444 33.444 32.230 1.214 17614 2673 1 3 . 1 1 78 78 MET H H 90 7.963 7.963 8.513 -0.550 17614 2674 1 3 . 1 1 79 79 SER N N 91 115.089 115.089 115.816 -0.727 17614 2675 1 3 . 1 1 79 79 SER C C 91 175.899 175.899 176.339 -0.440 17614 2676 1 3 . 1 1 79 79 SER CA C 91 58.621 58.621 62.246 -3.625 17614 2677 1 3 . 1 1 79 79 SER CB C 91 64.337 64.337 62.827 1.510 17614 2678 1 3 . 1 1 79 79 SER H H 91 7.868 7.868 7.926 -0.058 17614 2679 1 3 . 1 1 80 80 PHE N N 92 122.852 122.852 122.759 0.093 17614 2680 1 3 . 1 1 80 80 PHE C C 92 177.375 177.375 176.492 0.883 17614 2681 1 3 . 1 1 80 80 PHE CA C 92 59.095 59.095 61.430 -2.335 17614 2682 1 3 . 1 1 80 80 PHE CB C 92 38.937 38.937 39.109 -0.172 17614 2683 1 3 . 1 1 80 80 PHE H H 92 8.332 8.332 7.573 0.759 17614 2684 1 3 . 1 1 81 81 ALA N N 93 123.258 123.258 119.604 3.654 17614 2685 1 3 . 1 1 81 81 ALA C C 93 178.628 178.628 178.678 -0.050 17614 2686 1 3 . 1 1 81 81 ALA CA C 93 54.881 54.881 54.417 0.464 17614 2687 1 3 . 1 1 81 81 ALA CB C 93 17.902 17.902 18.141 -0.239 17614 2688 1 3 . 1 1 81 81 ALA H H 93 8.223 8.223 7.649 0.574 17614 2689 1 3 . 1 1 82 82 SER N N 94 112.886 112.886 115.144 -2.258 17614 2690 1 3 . 1 1 82 82 SER C C 94 176.831 176.831 176.747 0.084 17614 2691 1 3 . 1 1 82 82 SER CA C 94 60.319 60.319 61.505 -1.186 17614 2692 1 3 . 1 1 82 82 SER CB C 94 63.611 63.611 63.414 0.197 17614 2693 1 3 . 1 1 82 82 SER H H 94 7.977 7.977 7.493 0.484 17614 2694 1 3 . 1 1 83 83 VAL N N 95 121.854 121.854 122.207 -0.353 17614 2695 1 3 . 1 1 83 83 VAL C C 95 176.220 176.220 176.346 -0.126 17614 2696 1 3 . 1 1 83 83 VAL CA C 95 64.629 64.629 65.870 -1.241 17614 2697 1 3 . 1 1 83 83 VAL CB C 95 31.328 31.328 31.368 -0.040 17614 2698 1 3 . 1 1 83 83 VAL H H 95 7.581 7.581 8.354 -0.773 17614 2699 1 3 . 1 1 84 84 ARG N N 96 121.329 121.329 119.000 2.329 17614 2700 1 3 . 1 1 84 84 ARG C C 96 176.814 176.814 177.067 -0.253 17614 2701 1 3 . 1 1 84 84 ARG CA C 96 58.636 58.636 57.610 1.026 17614 2702 1 3 . 1 1 84 84 ARG CB C 96 30.672 30.672 29.439 1.233 17614 2703 1 3 . 1 1 84 84 ARG H H 96 7.936 7.936 7.204 0.732 17614 2704 1 3 . 1 1 85 85 ILE N N 97 119.194 119.194 117.938 1.256 17614 2705 1 3 . 1 1 85 85 ILE C C 97 177.152 177.152 176.687 0.465 17614 2706 1 3 . 1 1 85 85 ILE CA C 97 63.296 63.296 62.693 0.603 17614 2707 1 3 . 1 1 85 85 ILE CB C 97 38.757 38.757 38.387 0.370 17614 2708 1 3 . 1 1 85 85 ILE H H 97 7.802 7.802 7.397 0.405 17614 2709 1 3 . 1 1 86 86 GLY N N 98 109.857 109.857 107.581 2.276 17614 2710 1 3 . 1 1 86 86 GLY C C 98 176.064 176.064 174.885 1.179 17614 2711 1 3 . 1 1 86 86 GLY CA C 98 46.941 46.941 46.126 0.815 17614 2712 1 3 . 1 1 86 86 GLY H H 98 8.127 8.127 7.568 0.559 17614 2713 1 3 . 1 1 87 87 LEU N N 99 123.258 123.258 122.579 0.679 17614 2714 1 3 . 1 1 87 87 LEU C C 99 177.856 177.856 178.100 -0.244 17614 2715 1 3 . 1 1 87 87 LEU CA C 99 58.264 58.264 57.040 1.224 17614 2716 1 3 . 1 1 87 87 LEU CB C 99 42.488 42.488 41.797 0.691 17614 2717 1 3 . 1 1 87 87 LEU H H 99 8.223 8.223 7.781 0.442 17614 2718 1 3 . 1 1 88 88 TYR N N 100 119.770 119.770 120.302 -0.532 17614 2719 1 3 . 1 1 88 88 TYR C C 100 176.997 176.997 177.017 -0.020 17614 2720 1 3 . 1 1 88 88 TYR CA C 100 61.592 61.592 62.295 -0.703 17614 2721 1 3 . 1 1 88 88 TYR CB C 100 38.809 38.809 38.459 0.350 17614 2722 1 3 . 1 1 88 88 TYR H H 100 8.207 8.207 8.050 0.157 17614 2723 1 3 . 1 1 89 89 ASP N N 101 118.460 118.460 118.282 0.178 17614 2724 1 3 . 1 1 89 89 ASP C C 101 178.939 178.939 178.536 0.403 17614 2725 1 3 . 1 1 89 89 ASP CA C 101 57.797 57.797 57.597 0.200 17614 2726 1 3 . 1 1 89 89 ASP CB C 101 40.498 40.498 40.112 0.386 17614 2727 1 3 . 1 1 89 89 ASP H H 101 8.401 8.401 8.511 -0.110 17614 2728 1 3 . 1 1 90 90 SER N N 102 116.022 116.022 115.689 0.333 17614 2729 1 3 . 1 1 90 90 SER C C 102 176.005 176.005 176.076 -0.071 17614 2730 1 3 . 1 1 90 90 SER CA C 102 62.791 62.791 61.509 1.282 17614 2731 1 3 . 1 1 90 90 SER CB C 102 64.211 64.211 62.975 1.236 17614 2732 1 3 . 1 1 90 90 SER H H 102 7.854 7.854 7.672 0.182 17614 2733 1 3 . 1 1 91 91 VAL N N 103 120.844 120.844 120.649 0.195 17614 2734 1 3 . 1 1 91 91 VAL C C 103 177.307 177.307 176.590 0.717 17614 2735 1 3 . 1 1 91 91 VAL CA C 103 66.510 66.510 64.615 1.895 17614 2736 1 3 . 1 1 91 91 VAL CB C 103 31.965 31.965 31.765 0.200 17614 2737 1 3 . 1 1 91 91 VAL H H 103 7.926 7.926 7.436 0.489 17614 2738 1 3 . 1 1 92 92 LYS N N 104 120.468 120.468 119.331 1.137 17614 2739 1 3 . 1 1 92 92 LYS C C 104 178.861 178.861 178.900 -0.039 17614 2740 1 3 . 1 1 92 92 LYS CA C 104 60.184 60.184 59.753 0.431 17614 2741 1 3 . 1 1 92 92 LYS CB C 104 31.979 31.979 32.254 -0.275 17614 2742 1 3 . 1 1 92 92 LYS H H 104 8.127 8.127 7.641 0.486 17614 2743 1 3 . 1 1 93 93 GLN N N 105 118.386 118.386 117.509 0.877 17614 2744 1 3 . 1 1 93 93 GLN C C 105 177.540 177.540 178.685 -1.145 17614 2745 1 3 . 1 1 93 93 GLN CA C 105 58.786 58.786 58.014 0.772 17614 2746 1 3 . 1 1 93 93 GLN CB C 105 28.377 28.377 28.684 -0.307 17614 2747 1 3 . 1 1 93 93 GLN H H 105 7.841 7.841 8.024 -0.183 17614 2748 1 3 . 1 1 94 94 PHE N N 106 119.471 119.471 118.647 0.824 17614 2749 1 3 . 1 1 94 94 PHE C C 106 176.531 176.531 176.538 -0.007 17614 2750 1 3 . 1 1 94 94 PHE CA C 106 60.593 60.593 60.308 0.285 17614 2751 1 3 . 1 1 94 94 PHE CB C 106 39.459 39.459 38.913 0.546 17614 2752 1 3 . 1 1 94 94 PHE H H 106 7.772 7.772 7.618 0.154 17614 2753 1 3 . 1 1 95 95 TYR N N 107 118.288 118.288 115.776 2.512 17614 2754 1 3 . 1 1 95 95 TYR C C 107 176.220 176.220 176.813 -0.593 17614 2755 1 3 . 1 1 95 95 TYR CA C 107 60.543 60.543 57.924 2.619 17614 2756 1 3 . 1 1 95 95 TYR CB C 107 38.819 38.819 39.171 -0.352 17614 2757 1 3 . 1 1 95 95 TYR H H 107 8.045 8.045 7.337 0.708 17614 2758 1 3 . 1 1 96 96 THR N N 108 113.383 113.383 114.262 -0.879 17614 2759 1 3 . 1 1 96 96 THR C C 108 175.288 175.288 174.677 0.611 17614 2760 1 3 . 1 1 96 96 THR CA C 108 64.094 64.094 62.510 1.585 17614 2761 1 3 . 1 1 96 96 THR CB C 108 69.986 69.986 68.853 1.133 17614 2762 1 3 . 1 1 96 96 THR H H 108 7.868 7.868 7.518 0.350 17614 2763 1 3 . 1 1 101 101 HIS C C 113 173.413 173.413 173.952 -0.539 17614 2764 1 3 . 1 1 101 101 HIS H H 113 7.968 7.968 8.479 -0.511 17614 2765 1 3 . 1 1 102 102 ALA N N 114 119.456 119.456 121.656 -2.200 17614 2766 1 3 . 1 1 102 102 ALA C C 114 177.851 177.851 176.445 1.406 17614 2767 1 3 . 1 1 102 102 ALA CA C 114 53.283 53.283 52.185 1.098 17614 2768 1 3 . 1 1 102 102 ALA CB C 114 19.362 19.362 19.215 0.147 17614 2769 1 3 . 1 1 102 102 ALA H H 114 8.433 8.433 8.054 0.379 17614 2770 1 3 . 1 1 103 103 GLY N N 115 108.484 108.484 105.326 3.158 17614 2771 1 3 . 1 1 103 103 GLY C C 115 174.822 174.822 174.978 -0.156 17614 2772 1 3 . 1 1 103 103 GLY CA C 115 45.968 45.968 45.097 0.870 17614 2773 1 3 . 1 1 103 103 GLY H H 115 8.250 8.250 8.087 0.163 17614 2774 1 3 . 1 1 104 104 ILE N N 116 121.139 121.139 121.865 -0.726 17614 2775 1 3 . 1 1 104 104 ILE C C 116 176.841 176.841 177.140 -0.299 17614 2776 1 3 . 1 1 104 104 ILE CA C 116 63.160 63.160 63.868 -0.708 17614 2777 1 3 . 1 1 104 104 ILE CB C 116 38.853 38.853 38.093 0.760 17614 2778 1 3 . 1 1 104 104 ILE H H 116 8.127 8.127 8.160 -0.033 17614 2779 1 3 . 1 1 105 105 GLY N N 117 110.863 110.863 107.211 3.652 17614 2780 1 3 . 1 1 105 105 GLY C C 117 174.588 174.588 175.902 -1.314 17614 2781 1 3 . 1 1 105 105 GLY CA C 117 46.791 46.791 47.373 -0.582 17614 2782 1 3 . 1 1 105 105 GLY H H 117 8.509 8.509 8.508 0.001 17614 2783 1 3 . 1 1 106 106 SER N N 118 116.069 116.069 118.290 -2.221 17614 2784 1 3 . 1 1 106 106 SER C C 118 175.754 175.754 176.524 -0.770 17614 2785 1 3 . 1 1 106 106 SER CA C 118 60.319 60.319 61.298 -0.979 17614 2786 1 3 . 1 1 106 106 SER CB C 118 63.864 63.864 62.329 1.535 17614 2787 1 3 . 1 1 106 106 SER H H 118 7.991 7.991 8.007 -0.016 17614 2788 1 3 . 1 1 107 107 ARG N N 119 122.134 122.134 122.644 -0.510 17614 2789 1 3 . 1 1 107 107 ARG C C 119 178.228 178.228 178.361 -0.133 17614 2790 1 3 . 1 1 107 107 ARG CA C 119 57.787 57.787 59.465 -1.678 17614 2791 1 3 . 1 1 107 107 ARG CB C 119 30.549 30.549 30.014 0.535 17614 2792 1 3 . 1 1 107 107 ARG H H 119 7.963 7.963 8.349 -0.386 17614 2793 1 3 . 1 1 108 108 LEU N N 120 120.403 120.403 121.528 -1.125 17614 2794 1 3 . 1 1 108 108 LEU C C 120 177.230 177.230 178.672 -1.442 17614 2795 1 3 . 1 1 108 108 LEU CA C 120 57.967 57.967 58.281 -0.314 17614 2796 1 3 . 1 1 108 108 LEU CB C 120 42.146 42.146 41.847 0.299 17614 2797 1 3 . 1 1 108 108 LEU H H 120 7.914 7.914 7.751 0.163 17614 2798 1 3 . 1 1 109 109 LEU N N 121 118.960 118.960 119.437 -0.477 17614 2799 1 3 . 1 1 109 109 LEU C C 121 177.152 177.152 179.049 -1.897 17614 2800 1 3 . 1 1 109 109 LEU CA C 121 55.495 55.495 58.327 -2.832 17614 2801 1 3 . 1 1 109 109 LEU CB C 121 42.238 42.238 41.304 0.933 17614 2802 1 3 . 1 1 109 109 LEU H H 121 7.718 7.718 8.445 -0.727 17614 2803 1 3 . 1 1 110 110 ALA N N 122 123.063 123.063 121.564 1.499 17614 2804 1 3 . 1 1 110 110 ALA C C 122 178.317 178.317 179.937 -1.620 17614 2805 1 3 . 1 1 110 110 ALA CA C 122 53.358 53.358 55.576 -2.218 17614 2806 1 3 . 1 1 110 110 ALA CB C 122 19.218 19.218 18.140 1.078 17614 2807 1 3 . 1 1 110 110 ALA H H 122 7.745 7.745 8.888 -1.143 17614 2808 1 3 . 1 1 111 111 GLY N N 123 107.843 107.843 106.603 1.240 17614 2809 1 3 . 1 1 111 111 GLY C C 123 176.912 176.912 176.456 0.456 17614 2810 1 3 . 1 1 111 111 GLY CA C 123 45.943 45.943 47.098 -1.155 17614 2811 1 3 . 1 1 111 111 GLY H H 123 8.113 8.113 8.883 -0.770 17614 2812 1 3 . 1 1 112 112 SER N N 124 116.105 116.105 118.729 -2.624 17614 2813 1 3 . 1 1 112 112 SER C C 124 175.574 175.574 176.873 -1.299 17614 2814 1 3 . 1 1 112 112 SER CA C 124 59.145 59.145 62.239 -3.094 17614 2815 1 3 . 1 1 112 112 SER CB C 124 64.211 64.211 63.289 0.922 17614 2816 1 3 . 1 1 112 112 SER H H 124 8.109 8.109 8.526 -0.417 17614 2817 1 3 . 1 1 113 113 THR N N 125 116.069 116.069 118.226 -2.157 17614 2818 1 3 . 1 1 113 113 THR C C 125 176.055 176.055 176.929 -0.874 17614 2819 1 3 . 1 1 113 113 THR CA C 125 66.921 66.921 67.117 -0.196 17614 2820 1 3 . 1 1 113 113 THR CB C 125 69.682 69.682 68.955 0.727 17614 2821 1 3 . 1 1 113 113 THR H H 125 8.086 8.086 8.359 -0.273 17614 2822 1 3 . 1 1 114 114 THR N N 126 115.439 115.439 115.909 -0.470 17614 2823 1 3 . 1 1 114 114 THR C C 126 177.443 177.443 176.833 0.610 17614 2824 1 3 . 1 1 114 114 THR CA C 126 65.285 65.285 66.510 -1.225 17614 2825 1 3 . 1 1 114 114 THR CB C 126 68.364 68.364 68.450 -0.086 17614 2826 1 3 . 1 1 114 114 THR H H 126 7.977 7.977 8.581 -0.604 17614 2827 1 3 . 1 1 115 115 GLY N N 127 115.453 115.453 109.657 5.796 17614 2828 1 3 . 1 1 115 115 GLY C C 127 174.215 174.215 175.115 -0.900 17614 2829 1 3 . 1 1 115 115 GLY CA C 127 46.117 46.117 46.805 -0.688 17614 2830 1 3 . 1 1 115 115 GLY H H 127 8.168 8.168 8.285 -0.117 17614 2831 1 3 . 1 1 116 116 ALA N N 128 123.952 123.952 125.464 -1.512 17614 2832 1 3 . 1 1 116 116 ALA C C 128 178.162 178.162 179.378 -1.216 17614 2833 1 3 . 1 1 116 116 ALA CA C 128 53.349 53.349 54.525 -1.176 17614 2834 1 3 . 1 1 116 116 ALA CB C 128 19.099 19.099 18.502 0.598 17614 2835 1 3 . 1 1 116 116 ALA H H 128 7.919 7.919 7.517 0.402 17614 2836 1 3 . 1 1 117 117 LEU N N 129 120.025 120.025 119.594 0.431 17614 2837 1 3 . 1 1 117 117 LEU C C 129 177.949 177.949 178.544 -0.595 17614 2838 1 3 . 1 1 117 117 LEU CA C 129 56.019 56.019 57.172 -1.153 17614 2839 1 3 . 1 1 117 117 LEU CB C 129 42.340 42.340 41.505 0.835 17614 2840 1 3 . 1 1 117 117 LEU H H 129 7.936 7.936 7.592 0.344 17614 2841 1 3 . 1 1 118 118 ALA N N 130 123.402 123.402 121.001 2.401 17614 2842 1 3 . 1 1 118 118 ALA C C 130 177.929 177.929 179.589 -1.660 17614 2843 1 3 . 1 1 118 118 ALA CA C 130 53.283 53.283 55.085 -1.802 17614 2844 1 3 . 1 1 118 118 ALA CB C 130 18.964 18.964 18.281 0.683 17614 2845 1 3 . 1 1 118 118 ALA H H 130 7.868 7.868 8.122 -0.254 17614 2846 1 3 . 1 1 119 119 VAL N N 131 118.111 118.111 114.828 3.283 17614 2847 1 3 . 1 1 119 119 VAL C C 131 176.025 176.025 177.296 -1.271 17614 2848 1 3 . 1 1 119 119 VAL CA C 131 63.180 63.180 64.912 -1.732 17614 2849 1 3 . 1 1 119 119 VAL CB C 131 32.898 32.898 31.207 1.691 17614 2850 1 3 . 1 1 119 119 VAL H H 131 7.636 7.636 7.925 -0.289 17614 2851 1 3 . 1 1 120 120 ALA N N 132 124.047 124.047 122.791 1.256 17614 2852 1 3 . 1 1 120 120 ALA C C 132 179.008 179.008 178.660 0.348 17614 2853 1 3 . 1 1 120 120 ALA CA C 132 53.707 53.707 54.821 -1.114 17614 2854 1 3 . 1 1 120 120 ALA CB C 132 19.150 19.150 18.832 0.318 17614 2855 1 3 . 1 1 120 120 ALA H H 132 7.911 7.911 7.611 0.300 17614 2856 1 3 . 1 1 121 121 VAL N N 133 113.349 113.349 117.786 -4.437 17614 2857 1 3 . 1 1 121 121 VAL C C 133 175.527 175.527 176.755 -1.228 17614 2858 1 3 . 1 1 121 121 VAL CA C 133 64.115 64.115 63.902 0.213 17614 2859 1 3 . 1 1 121 121 VAL CB C 133 31.832 31.832 32.340 -0.508 17614 2860 1 3 . 1 1 121 121 VAL H H 133 7.094 7.094 7.457 -0.363 17614 2861 1 3 . 1 1 122 122 ALA N N 134 123.224 123.224 120.716 2.508 17614 2862 1 3 . 1 1 122 122 ALA CA C 134 55.493 55.493 51.849 3.643 17614 2863 1 3 . 1 1 122 122 ALA H H 134 7.586 7.586 7.795 -0.209 17614 2864 1 3 . 1 1 124 124 PRO C C 136 177.074 177.074 178.222 -1.148 17614 2865 1 3 . 1 1 125 125 THR N N 137 113.281 113.281 108.670 4.611 17614 2866 1 3 . 1 1 125 125 THR C C 137 174.485 174.485 176.681 -2.196 17614 2867 1 3 . 1 1 125 125 THR CA C 137 64.496 64.496 66.439 -1.943 17614 2868 1 3 . 1 1 125 125 THR CB C 137 69.997 69.997 68.001 1.996 17614 2869 1 3 . 1 1 125 125 THR H H 137 7.963 7.963 8.189 -0.226 17614 2870 1 3 . 1 1 126 126 ASP N N 138 122.770 122.770 122.526 0.244 17614 2871 1 3 . 1 1 126 126 ASP C C 138 178.458 178.458 178.518 -0.060 17614 2872 1 3 . 1 1 126 126 ASP CA C 138 56.776 56.776 56.812 -0.036 17614 2873 1 3 . 1 1 126 126 ASP CB C 138 41.023 41.023 40.550 0.473 17614 2874 1 3 . 1 1 126 126 ASP H H 138 8.094 8.094 7.624 0.470 17614 2875 1 3 . 1 1 127 127 VAL N N 139 119.931 119.931 120.004 -0.073 17614 2876 1 3 . 1 1 127 127 VAL C C 139 177.502 177.502 178.094 -0.592 17614 2877 1 3 . 1 1 127 127 VAL CA C 139 66.455 66.455 66.278 0.177 17614 2878 1 3 . 1 1 127 127 VAL CB C 139 32.804 32.804 31.796 1.008 17614 2879 1 3 . 1 1 127 127 VAL H H 139 7.753 7.753 7.778 -0.025 17614 2880 1 3 . 1 1 128 128 VAL N N 140 120.539 120.539 116.744 3.795 17614 2881 1 3 . 1 1 128 128 VAL C C 140 176.232 176.232 177.644 -1.412 17614 2882 1 3 . 1 1 128 128 VAL CA C 140 66.770 66.770 66.934 -0.164 17614 2883 1 3 . 1 1 128 128 VAL CB C 140 32.086 32.086 31.228 0.858 17614 2884 1 3 . 1 1 128 128 VAL H H 140 8.295 8.295 7.872 0.423 17614 2885 1 3 . 1 1 129 129 LYS N N 141 120.122 120.122 120.822 -0.700 17614 2886 1 3 . 1 1 129 129 LYS C C 141 176.120 176.120 178.925 -2.805 17614 2887 1 3 . 1 1 129 129 LYS CA C 141 55.991 55.991 59.736 -3.745 17614 2888 1 3 . 1 1 129 129 LYS CB C 141 31.712 31.712 32.467 -0.755 17614 2889 1 3 . 1 1 129 129 LYS H H 141 7.698 7.698 7.457 0.241 17614 2890 1 3 . 1 1 130 130 VAL N N 142 120.104 120.104 119.773 0.331 17614 2891 1 3 . 1 1 130 130 VAL CA C 142 63.230 63.230 65.578 -2.348 17614 2892 1 3 . 1 1 130 130 VAL H H 142 7.772 7.772 7.439 0.333 17614 2893 1 3 . 1 1 131 131 ARG C C 143 178.401 178.401 178.462 -0.061 17614 2894 1 3 . 1 1 131 131 ARG H H 143 7.999 7.999 8.132 -0.133 17614 2895 1 3 . 1 1 132 132 PHE N N 144 120.445 120.445 119.476 0.969 17614 2896 1 3 . 1 1 132 132 PHE C C 144 177.856 177.856 176.794 1.062 17614 2897 1 3 . 1 1 132 132 PHE CA C 144 61.438 61.438 60.581 0.857 17614 2898 1 3 . 1 1 132 132 PHE H H 144 8.395 8.395 8.676 -0.281 17614 2899 1 3 . 1 1 133 133 GLN N N 145 124.180 124.180 117.350 6.830 17614 2900 1 3 . 1 1 133 133 GLN C C 145 174.844 174.844 177.584 -2.740 17614 2901 1 3 . 1 1 133 133 GLN CA C 145 56.414 56.414 57.918 -1.504 17614 2902 1 3 . 1 1 133 133 GLN CB C 145 30.721 30.721 29.003 1.718 17614 2903 1 3 . 1 1 133 133 GLN H H 145 8.094 8.094 7.813 0.281 17614 2904 1 3 . 1 1 134 134 ALA N N 146 120.452 120.452 120.493 -0.041 17614 2905 1 3 . 1 1 134 134 ALA C C 146 177.929 177.929 177.512 0.417 17614 2906 1 3 . 1 1 134 134 ALA CA C 146 53.483 53.483 53.230 0.253 17614 2907 1 3 . 1 1 134 134 ALA CB C 146 18.431 18.431 19.036 -0.605 17614 2908 1 3 . 1 1 134 134 ALA H H 146 7.939 7.939 7.421 0.518 17614 2909 1 3 . 1 1 135 135 GLN N N 147 119.388 119.388 118.595 0.793 17614 2910 1 3 . 1 1 135 135 GLN C C 147 176.029 176.029 174.895 1.134 17614 2911 1 3 . 1 1 135 135 GLN CA C 147 56.339 56.339 56.432 -0.093 17614 2912 1 3 . 1 1 135 135 GLN CB C 147 29.444 29.444 28.514 0.930 17614 2913 1 3 . 1 1 135 135 GLN H H 147 8.072 8.072 7.569 0.503 17614 2914 1 3 . 1 1 136 136 ALA N N 148 125.199 125.199 129.107 -3.908 17614 2915 1 3 . 1 1 136 136 ALA C C 148 177.766 177.766 178.642 -0.876 17614 2916 1 3 . 1 1 136 136 ALA CA C 148 53.108 53.108 52.922 0.186 17614 2917 1 3 . 1 1 136 136 ALA CB C 148 19.151 19.151 18.979 0.172 17614 2918 1 3 . 1 1 136 136 ALA H H 148 8.055 8.055 8.143 -0.088 17614 2919 1 3 . 1 1 137 137 ARG N N 149 120.208 120.208 119.598 0.610 17614 2920 1 3 . 1 1 137 137 ARG CA C 149 56.414 56.414 56.195 0.219 17614 2921 1 3 . 1 1 137 137 ARG CB C 149 30.749 30.749 29.875 0.874 17614 2922 1 3 . 1 1 137 137 ARG H H 149 8.018 8.018 8.494 -0.476 17614 2923 1 3 . 1 1 147 147 THR C C 159 175.928 175.928 176.221 -0.293 17614 2924 1 3 . 1 1 148 148 VAL N N 160 118.321 118.321 118.850 -0.529 17614 2925 1 3 . 1 1 148 148 VAL C C 160 177.749 177.749 177.215 0.534 17614 2926 1 3 . 1 1 148 148 VAL CA C 160 64.126 64.126 65.492 -1.366 17614 2927 1 3 . 1 1 148 148 VAL CB C 160 31.343 31.343 30.634 0.709 17614 2928 1 3 . 1 1 148 148 VAL H H 160 8.073 8.073 8.041 0.032 17614 2929 1 3 . 1 1 149 149 GLU N N 161 122.379 122.379 121.174 1.205 17614 2930 1 3 . 1 1 149 149 GLU C C 161 178.783 178.783 178.506 0.277 17614 2931 1 3 . 1 1 149 149 GLU CA C 161 59.550 59.550 59.118 0.432 17614 2932 1 3 . 1 1 149 149 GLU CB C 161 29.597 29.597 28.098 1.499 17614 2933 1 3 . 1 1 149 149 GLU H H 161 8.204 8.204 8.697 -0.493 17614 2934 1 3 . 1 1 150 150 ALA N N 162 122.845 122.845 123.367 -0.522 17614 2935 1 3 . 1 1 150 150 ALA C C 162 179.948 179.948 179.256 0.692 17614 2936 1 3 . 1 1 150 150 ALA CA C 162 55.181 55.181 55.099 0.082 17614 2937 1 3 . 1 1 150 150 ALA CB C 162 18.154 18.154 18.511 -0.357 17614 2938 1 3 . 1 1 150 150 ALA H H 162 7.786 7.786 8.226 -0.440 17614 2939 1 3 . 1 1 151 151 TYR N N 163 118.902 118.902 119.646 -0.744 17614 2940 1 3 . 1 1 151 151 TYR C C 163 177.273 177.273 177.890 -0.617 17614 2941 1 3 . 1 1 151 151 TYR CA C 163 61.068 61.068 62.004 -0.936 17614 2942 1 3 . 1 1 151 151 TYR CB C 163 37.898 37.898 38.788 -0.890 17614 2943 1 3 . 1 1 151 151 TYR H H 163 7.922 7.922 8.030 -0.108 17614 2944 1 3 . 1 1 152 152 LYS N N 164 119.939 119.939 117.819 2.120 17614 2945 1 3 . 1 1 152 152 LYS C C 164 178.239 178.239 179.190 -0.951 17614 2946 1 3 . 1 1 152 152 LYS CA C 164 60.309 60.309 59.101 1.208 17614 2947 1 3 . 1 1 152 152 LYS CB C 164 32.504 32.504 32.097 0.407 17614 2948 1 3 . 1 1 152 152 LYS H H 164 8.223 8.223 7.665 0.558 17614 2949 1 3 . 1 1 153 153 THR N N 165 115.262 115.262 116.174 -0.912 17614 2950 1 3 . 1 1 153 153 THR C C 165 175.676 175.676 176.489 -0.813 17614 2951 1 3 . 1 1 153 153 THR CA C 165 66.516 66.516 66.730 -0.214 17614 2952 1 3 . 1 1 153 153 THR CB C 165 69.367 69.367 68.604 0.763 17614 2953 1 3 . 1 1 153 153 THR H H 165 7.745 7.745 8.247 -0.502 17614 2954 1 3 . 1 1 154 154 ILE N N 166 121.571 121.571 118.032 3.539 17614 2955 1 3 . 1 1 154 154 ILE C C 166 177.307 177.307 177.049 0.258 17614 2956 1 3 . 1 1 154 154 ILE CA C 166 64.634 64.634 64.254 0.380 17614 2957 1 3 . 1 1 154 154 ILE CB C 166 38.896 38.896 36.731 2.165 17614 2958 1 3 . 1 1 154 154 ILE H H 166 7.540 7.540 7.362 0.178 17614 2959 1 3 . 1 1 155 155 ALA N N 167 121.983 121.983 123.345 -1.362 17614 2960 1 3 . 1 1 155 155 ALA C C 167 178.395 178.395 179.876 -1.481 17614 2961 1 3 . 1 1 155 155 ALA CA C 167 54.656 54.656 54.606 0.050 17614 2962 1 3 . 1 1 155 155 ALA CB C 167 18.486 18.486 17.880 0.606 17614 2963 1 3 . 1 1 155 155 ALA H H 167 8.059 8.059 7.605 0.454 17614 2964 1 3 . 1 1 156 156 ARG N N 168 116.369 116.369 119.059 -2.690 17614 2965 1 3 . 1 1 156 156 ARG C C 168 177.307 177.307 178.389 -1.082 17614 2966 1 3 . 1 1 156 156 ARG CA C 168 58.486 58.486 58.777 -0.291 17614 2967 1 3 . 1 1 156 156 ARG CB C 168 30.930 30.930 30.104 0.826 17614 2968 1 3 . 1 1 156 156 ARG H H 168 7.690 7.690 7.779 -0.089 17614 2969 1 3 . 1 1 157 157 GLU N N 169 118.667 118.667 117.733 0.934 17614 2970 1 3 . 1 1 157 157 GLU C C 169 177.696 177.696 178.479 -0.783 17614 2971 1 3 . 1 1 157 157 GLU CA C 169 58.212 58.212 58.429 -0.217 17614 2972 1 3 . 1 1 157 157 GLU CB C 169 30.357 30.357 30.013 0.344 17614 2973 1 3 . 1 1 157 157 GLU H H 169 8.045 8.045 7.712 0.333 17614 2974 1 3 . 1 1 158 158 GLU N N 170 118.202 118.202 116.814 1.388 17614 2975 1 3 . 1 1 158 158 GLU C C 170 177.878 177.878 177.327 0.551 17614 2976 1 3 . 1 1 158 158 GLU CA C 170 57.363 57.363 56.851 0.512 17614 2977 1 3 . 1 1 158 158 GLU CB C 170 31.277 31.277 30.891 0.386 17614 2978 1 3 . 1 1 158 158 GLU H H 170 8.550 8.550 8.299 0.251 17614 2979 1 3 . 1 1 159 159 GLY N N 171 108.941 108.941 107.849 1.092 17614 2980 1 3 . 1 1 159 159 GLY C C 171 174.433 174.433 174.881 -0.448 17614 2981 1 3 . 1 1 159 159 GLY CA C 171 45.193 45.193 44.724 0.469 17614 2982 1 3 . 1 1 159 159 GLY H H 171 7.881 7.881 7.669 0.212 17614 2983 1 3 . 1 1 160 160 ILE N N 172 120.842 120.842 121.800 -0.958 17614 2984 1 3 . 1 1 160 160 ILE C C 172 176.997 176.997 177.606 -0.609 17614 2985 1 3 . 1 1 160 160 ILE CA C 172 63.810 63.810 63.256 0.554 17614 2986 1 3 . 1 1 160 160 ILE CB C 172 38.516 38.516 37.851 0.665 17614 2987 1 3 . 1 1 160 160 ILE H H 172 8.550 8.550 8.317 0.233 17614 2988 1 3 . 1 1 161 161 ARG N N 173 119.480 119.480 120.363 -0.883 17614 2989 1 3 . 1 1 161 161 ARG C C 173 178.084 178.084 178.526 -0.442 17614 2990 1 3 . 1 1 161 161 ARG CA C 173 58.711 58.711 59.090 -0.379 17614 2991 1 3 . 1 1 161 161 ARG CB C 173 29.796 29.796 29.610 0.186 17614 2992 1 3 . 1 1 161 161 ARG H H 173 8.277 8.277 8.398 -0.121 17614 2993 1 3 . 1 1 162 162 GLY N N 174 106.379 106.379 106.313 0.066 17614 2994 1 3 . 1 1 162 162 GLY C C 174 175.210 175.210 176.128 -0.918 17614 2995 1 3 . 1 1 162 162 GLY CA C 174 46.767 46.767 46.633 0.134 17614 2996 1 3 . 1 1 162 162 GLY H H 174 7.690 7.690 7.899 -0.209 17614 2997 1 3 . 1 1 163 163 LEU N N 175 120.664 120.664 121.196 -0.532 17614 2998 1 3 . 1 1 163 163 LEU C C 175 177.971 177.971 178.032 -0.061 17614 2999 1 3 . 1 1 163 163 LEU CA C 175 57.104 57.104 56.818 0.286 17614 3000 1 3 . 1 1 163 163 LEU CB C 175 42.559 42.559 42.185 0.374 17614 3001 1 3 . 1 1 163 163 LEU H H 175 7.554 7.554 7.326 0.228 17614 3002 1 3 . 1 1 164 164 TRP N N 176 117.031 117.031 116.742 0.289 17614 3003 1 3 . 1 1 164 164 TRP C C 176 176.987 176.987 178.054 -1.067 17614 3004 1 3 . 1 1 164 164 TRP CA C 176 57.672 57.672 57.692 -0.020 17614 3005 1 3 . 1 1 164 164 TRP CB C 176 29.796 29.796 28.274 1.522 17614 3006 1 3 . 1 1 164 164 TRP H H 176 7.499 7.499 8.002 -0.503 17614 3007 1 3 . 1 1 165 165 LYS N N 177 120.567 120.567 120.402 0.165 17614 3008 1 3 . 1 1 165 165 LYS C C 177 177.152 177.152 178.286 -1.134 17614 3009 1 3 . 1 1 165 165 LYS CA C 177 57.712 57.712 59.968 -2.256 17614 3010 1 3 . 1 1 165 165 LYS CB C 177 32.890 32.890 31.784 1.106 17614 3011 1 3 . 1 1 165 165 LYS H H 177 7.595 7.595 7.433 0.162 17614 3012 1 3 . 1 1 166 166 GLY N N 178 108.667 108.667 104.063 4.604 17614 3013 1 3 . 1 1 166 166 GLY C C 178 174.045 174.045 175.591 -1.546 17614 3014 1 3 . 1 1 166 166 GLY CA C 178 45.893 45.893 46.071 -0.178 17614 3015 1 3 . 1 1 166 166 GLY H H 178 7.881 7.881 8.145 -0.264 17614 3016 1 3 . 1 1 167 167 THR N N 179 115.080 115.080 119.731 -4.651 17614 3017 1 3 . 1 1 167 167 THR C C 179 175.192 175.192 176.776 -1.584 17614 3018 1 3 . 1 1 167 167 THR CA C 179 66.521 66.521 66.296 0.225 17614 3019 1 3 . 1 1 167 167 THR CB C 179 70.079 70.079 68.358 1.721 17614 3020 1 3 . 1 1 167 167 THR H H 179 7.622 7.622 7.679 -0.057 17614 3021 1 3 . 1 1 168 168 SER N N 180 117.754 117.754 116.017 1.737 17614 3022 1 3 . 1 1 168 168 SER CA C 180 63.123 63.123 64.104 -0.981 17614 3023 1 3 . 1 1 168 168 SER CB C 180 62.045 62.045 61.998 0.046 17614 3024 1 3 . 1 1 168 168 SER H H 180 8.195 8.195 8.043 0.152 17614 3025 1 3 . 1 1 170 170 ASN C C 182 177.348 177.348 177.793 -0.445 17614 3026 1 3 . 1 1 171 171 VAL N N 183 118.118 118.118 121.161 -3.043 17614 3027 1 3 . 1 1 171 171 VAL C C 183 176.944 176.944 177.401 -0.457 17614 3028 1 3 . 1 1 171 171 VAL CA C 183 65.244 65.244 65.294 -0.050 17614 3029 1 3 . 1 1 171 171 VAL CB C 183 32.508 32.508 31.303 1.205 17614 3030 1 3 . 1 1 171 171 VAL H H 183 7.861 7.861 7.450 0.411 17614 3031 1 3 . 1 1 172 172 ALA N N 184 122.284 122.284 121.624 0.660 17614 3032 1 3 . 1 1 172 172 ALA C C 184 178.317 178.317 179.377 -1.060 17614 3033 1 3 . 1 1 172 172 ALA CA C 184 55.339 55.339 55.213 0.126 17614 3034 1 3 . 1 1 172 172 ALA CB C 184 28.230 28.230 18.258 9.972 17614 3035 1 3 . 1 1 172 172 ALA H H 184 8.097 8.097 7.584 0.513 17614 3036 1 3 . 1 1 173 173 ARG N N 185 117.321 117.321 119.372 -2.051 17614 3037 1 3 . 1 1 173 173 ARG C C 185 177.527 177.527 178.226 -0.699 17614 3038 1 3 . 1 1 173 173 ARG CA C 185 59.543 59.543 59.650 -0.107 17614 3039 1 3 . 1 1 173 173 ARG CB C 185 29.767 29.767 30.157 -0.390 17614 3040 1 3 . 1 1 173 173 ARG H H 185 7.611 7.611 7.939 -0.329 17614 3041 1 3 . 1 1 174 174 ASN N N 186 117.294 117.294 117.271 0.023 17614 3042 1 3 . 1 1 174 174 ASN C C 186 176.599 176.599 177.287 -0.688 17614 3043 1 3 . 1 1 174 174 ASN CA C 186 56.659 56.659 56.188 0.471 17614 3044 1 3 . 1 1 174 174 ASN CB C 186 39.454 39.454 38.300 1.154 17614 3045 1 3 . 1 1 174 174 ASN H H 186 8.048 8.048 7.949 0.099 17614 3046 1 3 . 1 1 175 175 ALA N N 187 121.003 121.003 124.124 -3.121 17614 3047 1 3 . 1 1 175 175 ALA C C 187 178.713 178.713 179.877 -1.164 17614 3048 1 3 . 1 1 175 175 ALA CA C 187 55.520 55.520 54.752 0.768 17614 3049 1 3 . 1 1 175 175 ALA CB C 187 18.097 18.097 18.661 -0.564 17614 3050 1 3 . 1 1 175 175 ALA H H 187 7.322 7.322 7.765 -0.443 17614 3051 1 3 . 1 1 176 176 ILE N N 188 119.319 119.319 119.263 0.056 17614 3052 1 3 . 1 1 176 176 ILE C C 188 176.634 176.634 177.303 -0.669 17614 3053 1 3 . 1 1 176 176 ILE CA C 188 64.225 64.225 64.707 -0.482 17614 3054 1 3 . 1 1 176 176 ILE CB C 188 37.658 37.658 38.342 -0.684 17614 3055 1 3 . 1 1 176 176 ILE H H 188 7.779 7.779 7.726 0.053 17614 3056 1 3 . 1 1 177 177 VAL N N 189 117.265 117.265 117.844 -0.579 17614 3057 1 3 . 1 1 177 177 VAL C C 189 177.529 177.529 177.539 -0.010 17614 3058 1 3 . 1 1 177 177 VAL CA C 189 65.562 65.562 66.709 -1.147 17614 3059 1 3 . 1 1 177 177 VAL CB C 189 31.407 31.407 31.117 0.290 17614 3060 1 3 . 1 1 177 177 VAL H H 189 7.776 7.776 7.738 0.038 17614 3061 1 3 . 1 1 178 178 ASN N N 190 118.736 118.736 120.056 -1.320 17614 3062 1 3 . 1 1 178 178 ASN C C 190 176.476 176.476 177.286 -0.810 17614 3063 1 3 . 1 1 178 178 ASN CA C 190 56.813 56.813 56.086 0.727 17614 3064 1 3 . 1 1 178 178 ASN CB C 190 38.268 38.268 38.157 0.111 17614 3065 1 3 . 1 1 178 178 ASN H H 190 7.800 7.800 7.857 -0.057 17614 3066 1 3 . 1 1 179 179 CYS N N 191 120.152 120.152 120.004 0.148 17614 3067 1 3 . 1 1 179 179 CYS C C 191 175.831 175.831 176.628 -0.797 17614 3068 1 3 . 1 1 179 179 CYS CA C 191 60.293 60.293 63.184 -2.891 17614 3069 1 3 . 1 1 179 179 CYS CB C 191 41.566 41.566 27.615 13.951 17614 3070 1 3 . 1 1 179 179 CYS H H 191 7.784 7.784 7.990 -0.206 17614 3071 1 3 . 1 1 180 180 ALA N N 192 121.963 121.963 122.121 -0.158 17614 3072 1 3 . 1 1 180 180 ALA C C 192 178.395 178.395 179.292 -0.897 17614 3073 1 3 . 1 1 180 180 ALA CA C 192 55.280 55.280 55.101 0.179 17614 3074 1 3 . 1 1 180 180 ALA CB C 192 18.008 18.008 18.158 -0.150 17614 3075 1 3 . 1 1 180 180 ALA H H 192 8.141 8.141 8.699 -0.558 17614 3076 1 3 . 1 1 181 181 GLU N N 193 114.548 114.548 120.034 -5.486 17614 3077 1 3 . 1 1 181 181 GLU C C 193 176.764 176.764 179.354 -2.590 17614 3078 1 3 . 1 1 181 181 GLU CA C 193 58.262 58.262 59.408 -1.146 17614 3079 1 3 . 1 1 181 181 GLU CB C 193 29.342 29.342 29.648 -0.306 17614 3080 1 3 . 1 1 181 181 GLU H H 193 7.595 7.595 8.372 -0.777 17614 3081 1 3 . 1 1 182 182 LEU N N 194 117.659 117.659 119.419 -1.760 17614 3082 1 3 . 1 1 182 182 LEU C C 194 176.904 176.904 178.865 -1.961 17614 3083 1 3 . 1 1 182 182 LEU CA C 194 55.695 55.695 58.083 -2.388 17614 3084 1 3 . 1 1 182 182 LEU CB C 194 41.655 41.655 41.566 0.089 17614 3085 1 3 . 1 1 182 182 LEU H H 194 7.459 7.459 8.206 -0.747 17614 3086 1 3 . 1 1 183 183 VAL N N 195 117.842 117.842 118.259 -0.417 17614 3087 1 3 . 1 1 183 183 VAL C C 195 177.150 177.150 178.526 -1.376 17614 3088 1 3 . 1 1 183 183 VAL CA C 195 64.054 64.054 66.152 -2.098 17614 3089 1 3 . 1 1 183 183 VAL CB C 195 31.079 31.079 31.034 0.045 17614 3090 1 3 . 1 1 183 183 VAL H H 195 7.363 7.363 7.467 -0.104 17614 3091 1 3 . 1 1 184 184 THR N N 196 122.439 122.439 114.952 7.487 17614 3092 1 3 . 1 1 184 184 THR C C 196 175.055 175.055 176.834 -1.779 17614 3093 1 3 . 1 1 184 184 THR CA C 196 65.500 65.500 66.467 -0.967 17614 3094 1 3 . 1 1 184 184 THR CB C 196 69.490 69.490 68.947 0.543 17614 3095 1 3 . 1 1 184 184 THR H H 196 7.940 7.940 7.733 0.207 17614 3096 1 3 . 1 1 185 185 TYR N N 197 122.430 122.430 123.030 -0.600 17614 3097 1 3 . 1 1 185 185 TYR C C 197 177.152 177.152 177.354 -0.202 17614 3098 1 3 . 1 1 185 185 TYR CA C 197 61.892 61.892 62.387 -0.495 17614 3099 1 3 . 1 1 185 185 TYR CB C 197 38.085 38.085 38.405 -0.320 17614 3100 1 3 . 1 1 185 185 TYR H H 197 9.123 9.123 8.804 0.319 17614 3101 1 3 . 1 1 186 186 ASP N N 198 117.750 117.750 118.914 -1.164 17614 3102 1 3 . 1 1 186 186 ASP C C 198 177.696 177.696 178.470 -0.774 17614 3103 1 3 . 1 1 186 186 ASP CA C 198 57.822 57.822 57.596 0.226 17614 3104 1 3 . 1 1 186 186 ASP CB C 198 40.500 40.500 40.163 0.337 17614 3105 1 3 . 1 1 186 186 ASP H H 198 8.263 8.263 7.896 0.367 17614 3106 1 3 . 1 1 187 187 LEU N N 199 120.698 120.698 119.436 1.262 17614 3107 1 3 . 1 1 187 187 LEU C C 199 180.104 180.104 178.932 1.172 17614 3108 1 3 . 1 1 187 187 LEU CA C 199 58.092 58.092 57.764 0.328 17614 3109 1 3 . 1 1 187 187 LEU CB C 199 42.559 42.559 41.800 0.759 17614 3110 1 3 . 1 1 187 187 LEU H H 199 7.636 7.636 7.453 0.183 17614 3111 1 3 . 1 1 188 188 ILE N N 200 121.136 121.136 118.956 2.180 17614 3112 1 3 . 1 1 188 188 ILE C C 200 176.919 176.919 178.123 -1.204 17614 3113 1 3 . 1 1 188 188 ILE CA C 200 65.482 65.482 64.700 0.783 17614 3114 1 3 . 1 1 188 188 ILE CB C 200 37.949 37.949 37.153 0.796 17614 3115 1 3 . 1 1 188 188 ILE H H 200 7.718 7.718 7.174 0.544 17614 3116 1 3 . 1 1 189 189 LYS N N 201 120.587 120.587 118.509 2.078 17614 3117 1 3 . 1 1 189 189 LYS C C 201 177.696 177.696 178.591 -0.895 17614 3118 1 3 . 1 1 189 189 LYS CA C 201 60.683 60.683 58.778 1.905 17614 3119 1 3 . 1 1 189 189 LYS CB C 201 31.809 31.809 31.999 -0.190 17614 3120 1 3 . 1 1 189 189 LYS H H 201 8.291 8.291 7.595 0.696 17614 3121 1 3 . 1 1 190 190 ASP N N 202 117.936 117.936 116.502 1.434 17614 3122 1 3 . 1 1 190 190 ASP C C 202 178.395 178.395 176.917 1.478 17614 3123 1 3 . 1 1 190 190 ASP CA C 202 57.672 57.672 56.185 1.486 17614 3124 1 3 . 1 1 190 190 ASP CB C 202 41.355 41.355 41.099 0.256 17614 3125 1 3 . 1 1 190 190 ASP H H 202 8.182 8.182 7.721 0.461 17614 3126 1 3 . 1 1 191 191 THR N N 203 115.914 115.914 114.171 1.743 17614 3127 1 3 . 1 1 191 191 THR CA C 203 61.190 61.190 61.953 -0.763 17614 3128 1 3 . 1 1 191 191 THR CB C 203 68.738 68.738 69.427 -0.689 17614 3129 1 3 . 1 1 191 191 THR H H 203 7.690 7.690 7.527 0.163 17614 3130 1 3 . 1 1 192 192 LEU C C 204 176.047 176.047 175.089 0.958 17614 3131 1 3 . 1 1 192 192 LEU H H 204 8.051 8.051 8.867 -0.816 17614 3132 1 3 . 1 1 193 193 LEU N N 205 118.768 118.768 116.885 1.883 17614 3133 1 3 . 1 1 193 193 LEU C C 205 179.871 179.871 177.310 2.561 17614 3134 1 3 . 1 1 193 193 LEU CA C 205 55.867 55.867 53.995 1.873 17614 3135 1 3 . 1 1 193 193 LEU CB C 205 41.887 41.887 41.734 0.153 17614 3136 1 3 . 1 1 193 193 LEU H H 205 7.977 7.977 7.753 0.224 17614 3137 1 3 . 1 1 194 194 LYS N N 206 119.775 119.775 119.258 0.517 17614 3138 1 3 . 1 1 194 194 LYS C C 206 177.318 177.318 176.468 0.850 17614 3139 1 3 . 1 1 194 194 LYS CA C 206 58.461 58.461 58.201 0.260 17614 3140 1 3 . 1 1 194 194 LYS CB C 206 32.734 32.734 32.743 -0.009 17614 3141 1 3 . 1 1 194 194 LYS H H 206 7.677 7.677 8.188 -0.511 17614 3142 1 3 . 1 1 195 195 ALA N N 207 120.757 120.757 119.258 1.499 17614 3143 1 3 . 1 1 195 195 ALA C C 207 176.531 176.531 176.045 0.486 17614 3144 1 3 . 1 1 195 195 ALA CA C 207 53.083 53.083 52.015 1.068 17614 3145 1 3 . 1 1 195 195 ALA CB C 207 18.960 18.960 18.639 0.321 17614 3146 1 3 . 1 1 195 195 ALA H H 207 7.565 7.565 7.848 -0.283 17614 3147 1 3 . 1 1 196 196 ASN N N 208 115.463 115.463 116.362 -0.899 17614 3148 1 3 . 1 1 196 196 ASN C C 208 174.822 174.822 174.225 0.597 17614 3149 1 3 . 1 1 196 196 ASN CA C 208 54.351 54.351 54.083 0.268 17614 3150 1 3 . 1 1 196 196 ASN CB C 208 38.160 38.160 36.771 1.389 17614 3151 1 3 . 1 1 196 196 ASN H H 208 7.936 7.936 8.225 -0.289 17614 3152 1 3 . 1 1 200 200 ASP C C 212 174.735 174.735 174.835 -0.100 17614 3153 1 3 . 1 1 201 201 ASP N N 213 116.363 116.363 120.642 -4.279 17614 3154 1 3 . 1 1 201 201 ASP C C 213 175.553 175.553 176.746 -1.193 17614 3155 1 3 . 1 1 201 201 ASP CA C 213 54.890 54.890 54.055 0.835 17614 3156 1 3 . 1 1 201 201 ASP CB C 213 38.846 38.846 41.738 -2.892 17614 3157 1 3 . 1 1 201 201 ASP H H 213 8.129 8.129 8.029 0.100 17614 3158 1 3 . 1 1 202 202 LEU N N 214 119.486 119.486 121.375 -1.889 17614 3159 1 3 . 1 1 202 202 LEU CA C 214 59.766 59.766 59.067 0.699 17614 3160 1 3 . 1 1 202 202 LEU CB C 214 39.579 39.579 39.632 -0.053 17614 3161 1 3 . 1 1 202 202 LEU H H 214 7.821 7.821 8.318 -0.497 17614 3162 1 3 . 1 1 203 203 PRO C C 215 177.971 177.971 178.453 -0.482 17614 3163 1 3 . 1 1 203 203 PRO CA C 215 65.938 65.938 65.698 0.240 17614 3164 1 3 . 1 1 203 203 PRO CB C 215 30.006 30.006 30.971 -0.966 17614 3165 1 3 . 1 1 204 204 CYS N N 216 114.211 114.211 115.570 -1.359 17614 3166 1 3 . 1 1 204 204 CYS C C 216 176.142 176.142 176.712 -0.570 17614 3167 1 3 . 1 1 204 204 CYS CA C 216 58.773 58.773 63.387 -4.614 17614 3168 1 3 . 1 1 204 204 CYS CB C 216 40.906 40.906 27.590 13.316 17614 3169 1 3 . 1 1 204 204 CYS H H 216 8.269 8.269 8.025 0.244 17614 3170 1 3 . 1 1 205 205 HIS N N 217 120.491 120.491 120.147 0.344 17614 3171 1 3 . 1 1 205 205 HIS C C 217 176.747 176.747 177.154 -0.407 17614 3172 1 3 . 1 1 205 205 HIS CA C 217 57.198 57.198 59.444 -2.247 17614 3173 1 3 . 1 1 205 205 HIS CB C 217 29.886 29.886 29.842 0.044 17614 3174 1 3 . 1 1 205 205 HIS H H 217 7.301 7.301 7.356 -0.055 17614 3175 1 3 . 1 1 206 206 PHE N N 218 120.501 120.501 117.938 2.563 17614 3176 1 3 . 1 1 206 206 PHE C C 218 176.187 176.187 178.001 -1.814 17614 3177 1 3 . 1 1 206 206 PHE CA C 218 59.045 59.045 59.825 -0.780 17614 3178 1 3 . 1 1 206 206 PHE CB C 218 38.901 38.901 37.970 0.931 17614 3179 1 3 . 1 1 206 206 PHE H H 218 8.127 8.127 7.510 0.617 17614 3180 1 3 . 1 1 207 207 THR N N 219 112.682 112.682 113.000 -0.318 17614 3181 1 3 . 1 1 207 207 THR C C 219 175.997 175.997 177.193 -1.196 17614 3182 1 3 . 1 1 207 207 THR CA C 219 64.319 64.319 66.558 -2.239 17614 3183 1 3 . 1 1 207 207 THR CB C 219 63.282 63.282 68.317 -5.035 17614 3184 1 3 . 1 1 207 207 THR H H 219 7.977 7.977 8.014 -0.037 17614 3185 1 3 . 1 1 208 208 SER N N 220 117.589 117.589 118.428 -0.839 17614 3186 1 3 . 1 1 208 208 SER C C 220 175.055 175.055 176.543 -1.488 17614 3187 1 3 . 1 1 208 208 SER CA C 220 61.344 61.344 61.698 -0.354 17614 3188 1 3 . 1 1 208 208 SER CB C 220 63.440 63.440 62.534 0.906 17614 3189 1 3 . 1 1 208 208 SER H H 220 8.004 8.004 7.704 0.300 17614 3190 1 3 . 1 1 209 209 ALA N N 221 123.860 123.860 124.423 -0.563 17614 3191 1 3 . 1 1 209 209 ALA C C 221 177.618 177.618 179.260 -1.642 17614 3192 1 3 . 1 1 209 209 ALA CA C 221 53.932 53.932 54.942 -1.010 17614 3193 1 3 . 1 1 209 209 ALA CB C 221 18.891 18.891 18.272 0.619 17614 3194 1 3 . 1 1 209 209 ALA H H 221 7.704 7.704 7.602 0.102 17614 3195 1 3 . 1 1 210 210 PHE N N 222 116.073 116.073 119.892 -3.819 17614 3196 1 3 . 1 1 210 210 PHE C C 222 176.142 176.142 177.783 -1.641 17614 3197 1 3 . 1 1 210 210 PHE CA C 222 58.271 58.271 61.246 -2.975 17614 3198 1 3 . 1 1 210 210 PHE CB C 222 39.554 39.554 39.153 0.401 17614 3199 1 3 . 1 1 210 210 PHE H H 222 7.718 7.718 8.340 -0.622 17614 3200 1 3 . 1 1 211 211 GLY N N 223 108.578 108.578 106.257 2.321 17614 3201 1 3 . 1 1 211 211 GLY C C 223 173.889 173.889 175.616 -1.727 17614 3202 1 3 . 1 1 211 211 GLY CA C 223 45.993 45.993 47.113 -1.120 17614 3203 1 3 . 1 1 211 211 GLY H H 223 7.909 7.909 8.131 -0.222 17614 3204 1 3 . 1 1 212 212 ALA N N 224 123.322 123.322 124.467 -1.145 17614 3205 1 3 . 1 1 212 212 ALA C C 224 178.550 178.550 179.819 -1.269 17614 3206 1 3 . 1 1 212 212 ALA CA C 224 53.608 53.608 54.707 -1.099 17614 3207 1 3 . 1 1 212 212 ALA CB C 224 19.069 19.069 18.320 0.749 17614 3208 1 3 . 1 1 212 212 ALA H H 224 8.018 8.018 7.910 0.108 17614 3209 1 3 . 1 1 213 213 GLY N N 225 107.935 107.935 107.663 0.272 17614 3210 1 3 . 1 1 213 213 GLY C C 225 175.389 175.389 175.598 -0.209 17614 3211 1 3 . 1 1 213 213 GLY CA C 225 46.967 46.967 46.874 0.093 17614 3212 1 3 . 1 1 213 213 GLY H H 225 8.304 8.304 8.677 -0.373 17614 3213 1 3 . 1 1 214 214 PHE N N 226 122.440 122.440 122.821 -0.381 17614 3214 1 3 . 1 1 214 214 PHE C C 226 176.998 176.998 177.239 -0.241 17614 3215 1 3 . 1 1 214 214 PHE CA C 226 60.673 60.673 60.641 0.032 17614 3216 1 3 . 1 1 214 214 PHE CB C 226 38.319 38.319 39.411 -1.092 17614 3217 1 3 . 1 1 214 214 PHE H H 226 8.045 8.045 7.959 0.086 17614 3218 1 3 . 1 1 215 215 CYS N N 227 116.562 116.562 117.358 -0.796 17614 3219 1 3 . 1 1 215 215 CYS CA C 227 61.301 61.301 62.242 -0.942 17614 3220 1 3 . 1 1 215 215 CYS CB C 227 41.286 41.286 26.238 15.048 17614 3221 1 3 . 1 1 215 215 CYS H H 227 8.016 8.016 7.736 0.280 17614 3222 1 3 . 1 1 216 216 THR C C 228 176.437 176.437 176.446 -0.009 17614 3223 1 3 . 1 1 216 216 THR H H 228 8.410 8.410 8.489 -0.079 17614 3224 1 3 . 1 1 217 217 THR N N 229 115.234 115.234 118.105 -2.871 17614 3225 1 3 . 1 1 217 217 THR C C 229 176.749 176.749 175.945 0.804 17614 3226 1 3 . 1 1 217 217 THR CA C 229 65.980 65.980 67.246 -1.266 17614 3227 1 3 . 1 1 217 217 THR CB C 229 67.443 67.443 68.392 -0.949 17614 3228 1 3 . 1 1 217 217 THR H H 229 8.188 8.188 8.252 -0.064 17614 3229 1 3 . 1 1 218 218 VAL N N 230 120.723 120.723 120.313 0.410 17614 3230 1 3 . 1 1 218 218 VAL C C 230 177.983 177.983 177.220 0.763 17614 3231 1 3 . 1 1 218 218 VAL CA C 230 66.832 66.832 65.600 1.232 17614 3232 1 3 . 1 1 218 218 VAL CB C 230 31.168 31.168 31.048 0.120 17614 3233 1 3 . 1 1 218 218 VAL H H 230 8.027 8.027 7.298 0.729 17614 3234 1 3 . 1 1 219 219 ILE N N 231 120.541 120.541 119.708 0.833 17614 3235 1 3 . 1 1 219 219 ILE C C 231 177.368 177.368 177.047 0.321 17614 3236 1 3 . 1 1 219 219 ILE CA C 231 65.575 65.575 64.445 1.129 17614 3237 1 3 . 1 1 219 219 ILE CB C 231 37.722 37.722 38.042 -0.320 17614 3238 1 3 . 1 1 219 219 ILE H H 231 8.458 8.458 7.311 1.147 17614 3239 1 3 . 1 1 220 220 ALA N N 232 122.766 122.766 121.017 1.749 17614 3240 1 3 . 1 1 220 220 ALA C C 232 178.847 178.847 179.296 -0.449 17614 3241 1 3 . 1 1 220 220 ALA CA C 232 55.252 55.252 54.670 0.582 17614 3242 1 3 . 1 1 220 220 ALA CB C 232 17.874 17.874 18.214 -0.340 17614 3243 1 3 . 1 1 220 220 ALA H H 232 8.589 8.589 8.038 0.551 17614 3244 1 3 . 1 1 221 221 SER N N 233 113.387 113.387 114.507 -1.120 17614 3245 1 3 . 1 1 221 221 SER CA C 233 62.348 62.348 62.606 -0.258 17614 3246 1 3 . 1 1 221 221 SER CB C 233 61.630 61.630 61.599 0.031 17614 3247 1 3 . 1 1 221 221 SER H H 233 8.218 8.218 8.005 0.213 17614 3248 1 3 . 1 1 222 222 PRO C C 234 178.221 178.221 178.349 -0.128 17614 3249 1 3 . 1 1 223 223 VAL N N 235 116.087 116.087 115.004 1.083 17614 3250 1 3 . 1 1 223 223 VAL C C 235 177.089 177.089 177.639 -0.550 17614 3251 1 3 . 1 1 223 223 VAL CA C 235 65.072 65.072 65.783 -0.711 17614 3252 1 3 . 1 1 223 223 VAL CB C 235 31.084 31.084 30.739 0.345 17614 3253 1 3 . 1 1 223 223 VAL H H 235 8.142 8.142 7.394 0.748 17614 3254 1 3 . 1 1 224 224 ASP N N 236 121.556 121.556 121.690 -0.134 17614 3255 1 3 . 1 1 224 224 ASP C C 236 177.422 177.422 178.998 -1.576 17614 3256 1 3 . 1 1 224 224 ASP CA C 236 57.135 57.135 57.207 -0.072 17614 3257 1 3 . 1 1 224 224 ASP CB C 236 40.065 40.065 40.163 -0.098 17614 3258 1 3 . 1 1 224 224 ASP H H 236 7.932 7.932 7.364 0.568 17614 3259 1 3 . 1 1 225 225 VAL N N 237 117.233 117.233 119.839 -2.606 17614 3260 1 3 . 1 1 225 225 VAL CA C 237 64.977 64.977 66.356 -1.379 17614 3261 1 3 . 1 1 225 225 VAL CB C 237 31.013 31.013 31.896 -0.883 17614 3262 1 3 . 1 1 225 225 VAL H H 237 7.710 7.710 8.145 -0.435 17614 3263 1 3 . 1 1 226 226 VAL C C 238 177.584 177.584 177.167 0.417 17614 3264 1 3 . 1 1 226 226 VAL H H 238 7.607 7.607 7.762 -0.155 17614 3265 1 3 . 1 1 227 227 LYS N N 239 120.095 120.095 120.741 -0.646 17614 3266 1 3 . 1 1 227 227 LYS C C 239 178.678 178.678 178.686 -0.008 17614 3267 1 3 . 1 1 227 227 LYS CA C 239 58.483 58.483 59.020 -0.537 17614 3268 1 3 . 1 1 227 227 LYS CB C 239 31.863 31.863 32.727 -0.864 17614 3269 1 3 . 1 1 227 227 LYS H H 239 7.761 7.761 7.647 0.114 17614 3270 1 3 . 1 1 228 228 THR N N 240 115.247 115.247 114.805 0.442 17614 3271 1 3 . 1 1 228 228 THR C C 240 175.093 175.093 175.234 -0.141 17614 3272 1 3 . 1 1 228 228 THR CA C 240 66.458 66.458 65.247 1.211 17614 3273 1 3 . 1 1 228 228 THR CB C 240 68.011 68.011 69.180 -1.169 17614 3274 1 3 . 1 1 228 228 THR H H 240 7.761 7.761 7.556 0.205 17614 3275 1 3 . 1 1 229 229 ARG N N 241 119.633 119.633 120.602 -0.969 17614 3276 1 3 . 1 1 229 229 ARG CA C 241 57.133 57.133 58.043 -0.910 17614 3277 1 3 . 1 1 229 229 ARG CB C 241 31.218 31.218 30.107 1.111 17614 3278 1 3 . 1 1 229 229 ARG H H 241 7.383 7.383 7.555 -0.172 17614 3279 1 3 . 1 1 230 230 TYR C C 242 174.956 174.956 175.102 -0.146 17614 3280 1 3 . 1 1 230 230 TYR H H 242 8.699 8.699 8.258 0.441 17614 3281 1 3 . 1 1 231 231 MET N N 243 118.458 118.458 120.119 -1.661 17614 3282 1 3 . 1 1 231 231 MET C C 243 175.676 175.676 175.707 -0.031 17614 3283 1 3 . 1 1 231 231 MET CA C 243 54.417 54.417 55.514 -1.097 17614 3284 1 3 . 1 1 231 231 MET H H 243 7.442 7.442 8.666 -1.224 17614 3285 1 3 . 1 1 232 232 ASN N N 244 116.369 116.369 121.312 -4.943 17614 3286 1 3 . 1 1 232 232 ASN C C 244 174.919 174.919 174.164 0.755 17614 3287 1 3 . 1 1 232 232 ASN CA C 244 59.470 59.470 53.165 6.305 17614 3288 1 3 . 1 1 232 232 ASN CB C 244 39.079 39.079 39.294 -0.215 17614 3289 1 3 . 1 1 232 232 ASN H H 244 7.772 7.772 8.098 -0.326 17614 3290 1 3 . 1 1 233 233 SER N N 245 114.568 114.568 118.712 -4.144 17614 3291 1 3 . 1 1 233 233 SER C C 245 175.695 175.695 174.780 0.915 17614 3292 1 3 . 1 1 233 233 SER CA C 245 53.852 53.852 58.746 -4.894 17614 3293 1 3 . 1 1 233 233 SER CB C 245 61.232 61.232 62.396 -1.164 17614 3294 1 3 . 1 1 233 233 SER H H 245 8.475 8.475 8.170 0.305 17614 3295 1 3 . 1 1 234 234 ALA N N 246 127.283 127.283 124.535 2.748 17614 3296 1 3 . 1 1 234 234 ALA C C 246 177.128 177.128 177.003 0.125 17614 3297 1 3 . 1 1 234 234 ALA CA C 246 56.803 56.803 53.295 3.508 17614 3298 1 3 . 1 1 234 234 ALA CB C 246 18.901 18.901 19.017 -0.116 17614 3299 1 3 . 1 1 234 234 ALA H H 246 7.929 7.929 8.369 -0.440 17614 3300 1 3 . 1 1 235 235 LEU N N 247 118.112 118.112 115.319 2.793 17614 3301 1 3 . 1 1 235 235 LEU C C 247 176.723 176.723 177.705 -0.982 17614 3302 1 3 . 1 1 235 235 LEU CA C 247 54.156 54.156 54.483 -0.327 17614 3303 1 3 . 1 1 235 235 LEU CB C 247 41.215 41.215 43.267 -2.052 17614 3304 1 3 . 1 1 235 235 LEU H H 247 7.922 7.922 8.144 -0.222 17614 3305 1 3 . 1 1 236 236 GLY N N 248 107.203 107.203 105.421 1.782 17614 3306 1 3 . 1 1 236 236 GLY CA C 248 44.558 44.558 45.332 -0.774 17614 3307 1 3 . 1 1 236 236 GLY H H 248 8.318 8.318 8.528 -0.210 17614 3308 1 3 . 1 1 238 238 TYR C C 250 175.942 175.942 175.540 0.402 17614 3309 1 3 . 1 1 238 238 TYR H H 250 8.134 8.134 8.739 -0.605 17614 3310 1 3 . 1 1 239 239 HIS N N 251 123.281 123.281 119.993 3.288 17614 3311 1 3 . 1 1 239 239 HIS C C 251 174.531 174.531 174.643 -0.112 17614 3312 1 3 . 1 1 239 239 HIS CA C 251 58.931 58.931 57.778 1.153 17614 3313 1 3 . 1 1 239 239 HIS CB C 251 29.525 29.525 30.337 -0.812 17614 3314 1 3 . 1 1 239 239 HIS H H 251 8.184 8.184 8.486 -0.302 17614 3315 1 3 . 1 1 240 240 SER N N 252 110.038 110.038 111.374 -1.336 17614 3316 1 3 . 1 1 240 240 SER C C 252 174.429 174.429 174.413 0.016 17614 3317 1 3 . 1 1 240 240 SER CA C 252 57.452 57.452 57.520 -0.068 17614 3318 1 3 . 1 1 240 240 SER CB C 252 65.022 65.022 64.625 0.397 17614 3319 1 3 . 1 1 240 240 SER H H 252 8.010 8.010 7.896 0.114 17614 3320 1 3 . 1 1 241 241 ALA N N 253 123.034 123.034 124.541 -1.507 17614 3321 1 3 . 1 1 241 241 ALA C C 253 179.249 179.249 179.371 -0.122 17614 3322 1 3 . 1 1 241 241 ALA CA C 253 54.981 54.981 54.582 0.399 17614 3323 1 3 . 1 1 241 241 ALA CB C 253 19.069 19.069 18.951 0.118 17614 3324 1 3 . 1 1 241 241 ALA H H 253 8.034 8.034 8.828 -0.794 17614 3325 1 3 . 1 1 242 242 GLY N N 254 106.379 106.379 105.840 0.539 17614 3326 1 3 . 1 1 242 242 GLY C C 254 174.433 174.433 175.547 -1.114 17614 3327 1 3 . 1 1 242 242 GLY CA C 254 47.615 47.615 46.978 0.637 17614 3328 1 3 . 1 1 242 242 GLY H H 254 8.427 8.427 8.646 -0.219 17614 3329 1 3 . 1 1 243 243 HIS N N 255 121.119 121.119 120.930 0.189 17614 3330 1 3 . 1 1 243 243 HIS C C 255 178.084 178.084 176.617 1.467 17614 3331 1 3 . 1 1 243 243 HIS CA C 255 60.144 60.144 59.139 1.005 17614 3332 1 3 . 1 1 243 243 HIS CB C 255 33.073 33.073 29.986 3.087 17614 3333 1 3 . 1 1 243 243 HIS H H 255 8.304 8.304 8.040 0.264 17614 3334 1 3 . 1 1 244 244 CYS N N 256 117.946 117.946 118.957 -1.011 17614 3335 1 3 . 1 1 244 244 CYS C C 256 175.453 175.453 176.488 -1.035 17614 3336 1 3 . 1 1 244 244 CYS CA C 256 58.668 58.668 61.886 -3.218 17614 3337 1 3 . 1 1 244 244 CYS CB C 256 41.434 41.434 26.632 14.802 17614 3338 1 3 . 1 1 244 244 CYS H H 256 8.168 8.168 7.794 0.374 17614 3339 1 3 . 1 1 245 245 ALA N N 257 123.138 123.138 122.332 0.806 17614 3340 1 3 . 1 1 245 245 ALA C C 257 179.489 179.489 179.499 -0.010 17614 3341 1 3 . 1 1 245 245 ALA CA C 257 54.589 54.589 54.976 -0.387 17614 3342 1 3 . 1 1 245 245 ALA CB C 257 17.675 17.675 18.372 -0.698 17614 3343 1 3 . 1 1 245 245 ALA H H 257 7.932 7.932 7.431 0.501 17614 3344 1 3 . 1 1 246 246 LEU N N 258 119.779 119.779 117.826 1.953 17614 3345 1 3 . 1 1 246 246 LEU C C 258 178.234 178.234 179.399 -1.165 17614 3346 1 3 . 1 1 246 246 LEU CA C 258 56.967 56.967 57.784 -0.817 17614 3347 1 3 . 1 1 246 246 LEU CB C 258 41.067 41.067 40.805 0.262 17614 3348 1 3 . 1 1 246 246 LEU H H 258 7.681 7.681 7.649 0.032 17614 3349 1 3 . 1 1 247 247 THR N N 259 114.552 114.552 113.396 1.156 17614 3350 1 3 . 1 1 247 247 THR C C 259 176.244 176.244 176.800 -0.556 17614 3351 1 3 . 1 1 247 247 THR CA C 259 66.511 66.511 66.140 0.371 17614 3352 1 3 . 1 1 247 247 THR CB C 259 67.274 67.274 68.746 -1.472 17614 3353 1 3 . 1 1 247 247 THR H H 259 7.855 7.855 7.930 -0.075 17614 3354 1 3 . 1 1 248 248 MET N N 260 118.862 118.862 120.971 -2.109 17614 3355 1 3 . 1 1 248 248 MET C C 260 177.094 177.094 177.456 -0.362 17614 3356 1 3 . 1 1 248 248 MET CA C 260 58.532 58.532 58.997 -0.465 17614 3357 1 3 . 1 1 248 248 MET CB C 260 32.288 32.288 32.419 -0.131 17614 3358 1 3 . 1 1 248 248 MET H H 260 8.296 8.296 8.202 0.094 17614 3359 1 3 . 1 1 249 249 LEU N N 261 116.839 116.839 118.213 -1.374 17614 3360 1 3 . 1 1 249 249 LEU C C 261 178.162 178.162 179.390 -1.228 17614 3361 1 3 . 1 1 249 249 LEU CA C 261 58.167 58.167 57.115 1.052 17614 3362 1 3 . 1 1 249 249 LEU CB C 261 42.202 42.202 41.827 0.375 17614 3363 1 3 . 1 1 249 249 LEU H H 261 8.053 8.053 7.435 0.618 17614 3364 1 3 . 1 1 250 250 ARG N N 262 116.821 116.821 118.210 -1.389 17614 3365 1 3 . 1 1 250 250 ARG CA C 262 58.761 58.761 58.228 0.533 17614 3366 1 3 . 1 1 250 250 ARG CB C 262 30.825 30.825 30.600 0.225 17614 3367 1 3 . 1 1 250 250 ARG H H 262 7.827 7.827 7.548 0.279 17614 3368 1 3 . 1 1 254 254 PRO C C 266 177.152 177.152 178.048 -0.896 17614 3369 1 3 . 1 1 254 254 PRO CA C 266 65.152 65.152 64.516 0.636 17614 3370 1 3 . 1 1 255 255 ARG N N 267 117.739 117.739 118.484 -0.745 17614 3371 1 3 . 1 1 255 255 ARG C C 267 177.463 177.463 177.637 -0.174 17614 3372 1 3 . 1 1 255 255 ARG CA C 267 59.335 59.335 58.968 0.367 17614 3373 1 3 . 1 1 255 255 ARG CB C 267 30.185 30.185 29.591 0.594 17614 3374 1 3 . 1 1 255 255 ARG H H 267 8.072 8.072 8.227 -0.155 17614 3375 1 3 . 1 1 256 256 ALA N N 268 121.709 121.709 121.722 -0.013 17614 3376 1 3 . 1 1 256 256 ALA C C 268 179.251 179.251 179.739 -0.488 17614 3377 1 3 . 1 1 256 256 ALA CA C 268 54.631 54.631 54.816 -0.185 17614 3378 1 3 . 1 1 256 256 ALA CB C 268 18.683 18.683 18.209 0.474 17614 3379 1 3 . 1 1 256 256 ALA H H 268 7.963 7.963 8.103 -0.140 17614 3380 1 3 . 1 1 257 257 PHE N N 269 117.096 117.096 117.652 -0.556 17614 3381 1 3 . 1 1 257 257 PHE C C 269 175.987 175.987 177.052 -1.065 17614 3382 1 3 . 1 1 257 257 PHE CA C 269 61.037 61.037 61.590 -0.553 17614 3383 1 3 . 1 1 257 257 PHE CB C 269 38.637 38.637 38.835 -0.198 17614 3384 1 3 . 1 1 257 257 PHE H H 269 7.832 7.832 7.834 -0.002 17614 3385 1 3 . 1 1 258 258 TYR N N 270 118.496 118.496 118.561 -0.065 17614 3386 1 3 . 1 1 258 258 TYR C C 270 176.250 176.250 176.822 -0.572 17614 3387 1 3 . 1 1 258 258 TYR CA C 270 60.116 60.116 60.281 -0.165 17614 3388 1 3 . 1 1 258 258 TYR CB C 270 38.882 38.882 38.753 0.129 17614 3389 1 3 . 1 1 258 258 TYR H H 270 7.813 7.813 7.597 0.216 17614 3390 1 3 . 1 1 259 259 LYS N N 271 119.458 119.458 119.365 0.093 17614 3391 1 3 . 1 1 259 259 LYS C C 271 177.696 177.696 176.224 1.472 17614 3392 1 3 . 1 1 259 259 LYS CA C 271 57.192 57.192 57.361 -0.169 17614 3393 1 3 . 1 1 259 259 LYS CB C 271 32.734 32.734 32.827 -0.093 17614 3394 1 3 . 1 1 259 259 LYS H H 271 7.864 7.864 7.779 0.085 17614 3395 1 3 . 1 1 260 260 GLY N N 272 106.217 106.217 105.763 0.454 17614 3396 1 3 . 1 1 260 260 GLY C C 272 173.967 173.967 173.652 0.315 17614 3397 1 3 . 1 1 260 260 GLY CA C 272 46.117 46.117 45.980 0.137 17614 3398 1 3 . 1 1 260 260 GLY H H 272 7.622 7.622 8.296 -0.674 17614 3399 1 3 . 1 1 261 261 PHE N N 273 118.847 118.847 117.793 1.054 17614 3400 1 3 . 1 1 261 261 PHE C C 273 175.055 175.055 175.241 -0.186 17614 3401 1 3 . 1 1 261 261 PHE CA C 273 57.721 57.721 57.615 0.106 17614 3402 1 3 . 1 1 261 261 PHE CB C 273 40.183 40.183 38.951 1.232 17614 3403 1 3 . 1 1 261 261 PHE H H 273 7.677 7.677 7.405 0.272 17614 3404 1 3 . 1 1 265 265 PHE C C 277 176.602 176.602 177.011 -0.409 17614 3405 1 3 . 1 1 265 265 PHE CA C 277 61.838 61.838 61.874 -0.036 17614 3406 1 3 . 1 1 265 265 PHE CB C 277 39.537 39.537 39.155 0.382 17614 3407 1 3 . 1 1 265 265 PHE H H 277 7.695 7.695 7.985 -0.290 17614 3408 1 3 . 1 1 266 266 LEU N N 278 118.465 118.465 119.291 -0.826 17614 3409 1 3 . 1 1 266 266 LEU C C 278 177.152 177.152 178.901 -1.749 17614 3410 1 3 . 1 1 266 266 LEU CA C 278 56.115 56.115 58.486 -2.370 17614 3411 1 3 . 1 1 266 266 LEU CB C 278 42.398 42.398 41.472 0.926 17614 3412 1 3 . 1 1 266 266 LEU H H 278 8.104 8.104 7.727 0.377 17614 3413 1 3 . 1 1 267 267 ARG N N 279 118.749 118.749 119.036 -0.287 17614 3414 1 3 . 1 1 267 267 ARG C C 279 176.608 176.608 178.950 -2.342 17614 3415 1 3 . 1 1 267 267 ARG CA C 279 56.938 56.938 59.511 -2.573 17614 3416 1 3 . 1 1 267 267 ARG CB C 279 30.659 30.659 29.941 0.718 17614 3417 1 3 . 1 1 267 267 ARG H H 279 7.472 7.472 7.714 -0.242 17614 3418 1 3 . 1 1 268 268 LEU N N 280 120.305 120.305 120.414 -0.109 17614 3419 1 3 . 1 1 268 268 LEU C C 280 177.540 177.540 178.427 -0.887 17614 3420 1 3 . 1 1 268 268 LEU CA C 280 57.094 57.094 58.257 -1.163 17614 3421 1 3 . 1 1 268 268 LEU CB C 280 42.027 42.027 41.429 0.598 17614 3422 1 3 . 1 1 268 268 LEU H H 280 7.690 7.690 8.323 -0.633 17614 3423 1 3 . 1 1 269 269 GLY N N 281 106.837 106.837 106.275 0.562 17614 3424 1 3 . 1 1 269 269 GLY C C 281 174.045 174.045 176.094 -2.049 17614 3425 1 3 . 1 1 269 269 GLY CA C 281 46.967 46.967 47.377 -0.410 17614 3426 1 3 . 1 1 269 269 GLY H H 281 7.881 7.881 7.825 0.056 17614 3427 1 3 . 1 1 270 270 SER N N 282 115.531 115.531 118.572 -3.041 17614 3428 1 3 . 1 1 270 270 SER C C 282 174.123 174.123 176.225 -2.102 17614 3429 1 3 . 1 1 270 270 SER CA C 282 58.796 58.796 62.004 -3.208 17614 3430 1 3 . 1 1 270 270 SER CB C 282 58.975 58.975 62.956 -3.981 17614 3431 1 3 . 1 1 270 270 SER H H 282 7.813 7.813 7.584 0.229 17614 3432 1 3 . 1 1 271 271 TRP N N 283 122.851 122.851 123.816 -0.965 17614 3433 1 3 . 1 1 271 271 TRP C C 283 176.142 176.142 177.396 -1.254 17614 3434 1 3 . 1 1 271 271 TRP CA C 283 59.221 59.221 61.669 -2.448 17614 3435 1 3 . 1 1 271 271 TRP CB C 283 30.446 30.446 29.456 0.990 17614 3436 1 3 . 1 1 271 271 TRP H H 283 8.186 8.186 8.655 -0.469 17614 3437 1 3 . 1 1 272 272 ASN N N 284 118.459 118.459 117.888 0.571 17614 3438 1 3 . 1 1 272 272 ASN CA C 284 55.325 55.325 56.141 -0.816 17614 3439 1 3 . 1 1 272 272 ASN CB C 284 39.504 39.504 38.297 1.207 17614 3440 1 3 . 1 1 272 272 ASN H H 284 8.127 8.127 8.038 0.089 17614 3441 1 3 . 1 1 273 273 VAL C C 285 177.263 177.263 177.217 0.046 17614 3442 1 3 . 1 1 273 273 VAL H H 285 7.854 7.854 7.433 0.421 17614 3443 1 3 . 1 1 274 274 VAL N N 286 119.883 119.883 117.963 1.920 17614 3444 1 3 . 1 1 274 274 VAL C C 286 177.072 177.072 177.494 -0.422 17614 3445 1 3 . 1 1 274 274 VAL CA C 286 64.717 64.717 65.640 -0.923 17614 3446 1 3 . 1 1 274 274 VAL CB C 286 29.553 29.553 30.928 -1.375 17614 3447 1 3 . 1 1 274 274 VAL H H 286 7.483 7.483 7.186 0.297 17614 3448 1 3 . 1 1 275 275 MET N N 287 120.401 120.401 120.191 0.210 17614 3449 1 3 . 1 1 275 275 MET C C 287 177.594 177.594 178.032 -0.438 17614 3450 1 3 . 1 1 275 275 MET CA C 287 57.654 57.654 57.647 0.007 17614 3451 1 3 . 1 1 275 275 MET CB C 287 31.592 31.592 32.011 -0.419 17614 3452 1 3 . 1 1 275 275 MET H H 287 8.118 8.118 7.081 1.037 17614 3453 1 3 . 1 1 276 276 PHE N N 288 122.234 122.234 119.665 2.569 17614 3454 1 3 . 1 1 276 276 PHE C C 288 176.498 176.498 177.421 -0.923 17614 3455 1 3 . 1 1 276 276 PHE CA C 288 61.766 61.766 61.825 -0.060 17614 3456 1 3 . 1 1 276 276 PHE CB C 288 39.031 39.031 39.062 -0.031 17614 3457 1 3 . 1 1 276 276 PHE H H 288 7.878 7.878 7.767 0.111 17614 3458 1 3 . 1 1 277 277 VAL N N 289 118.907 118.907 118.512 0.395 17614 3459 1 3 . 1 1 277 277 VAL CA C 289 64.566 64.566 66.774 -2.208 17614 3460 1 3 . 1 1 277 277 VAL CB C 289 30.544 30.544 31.212 -0.668 17614 3461 1 3 . 1 1 277 277 VAL H H 289 7.913 7.913 7.741 0.172 17614 3462 1 3 . 1 1 278 278 THR C C 290 175.376 175.376 176.750 -1.374 17614 3463 1 3 . 1 1 278 278 THR H H 290 8.095 8.095 7.524 0.571 17614 3464 1 3 . 1 1 279 279 TYR N N 291 118.029 118.029 121.783 -3.754 17614 3465 1 3 . 1 1 279 279 TYR C C 291 176.919 176.919 177.629 -0.710 17614 3466 1 3 . 1 1 279 279 TYR CA C 291 61.717 61.717 61.910 -0.193 17614 3467 1 3 . 1 1 279 279 TYR CB C 291 38.020 38.020 37.710 0.310 17614 3468 1 3 . 1 1 279 279 TYR H H 291 7.986 7.986 7.628 0.358 17614 3469 1 3 . 1 1 280 280 GLU N N 292 118.005 118.005 119.452 -1.447 17614 3470 1 3 . 1 1 280 280 GLU C C 292 176.686 176.686 178.910 -2.224 17614 3471 1 3 . 1 1 280 280 GLU CA C 292 60.084 60.084 59.891 0.193 17614 3472 1 3 . 1 1 280 280 GLU CB C 292 29.443 29.443 29.264 0.179 17614 3473 1 3 . 1 1 280 280 GLU H H 292 8.359 8.359 8.188 0.171 17614 3474 1 3 . 1 1 281 281 GLN N N 293 118.746 118.746 118.192 0.554 17614 3475 1 3 . 1 1 281 281 GLN C C 293 176.210 176.210 178.353 -2.143 17614 3476 1 3 . 1 1 281 281 GLN CA C 293 58.986 58.986 58.394 0.592 17614 3477 1 3 . 1 1 281 281 GLN CB C 293 28.784 28.784 28.675 0.109 17614 3478 1 3 . 1 1 281 281 GLN H H 293 7.704 7.704 7.603 0.101 17614 3479 1 3 . 1 1 282 282 LEU N N 294 120.970 120.970 119.070 1.900 17614 3480 1 3 . 1 1 282 282 LEU C C 294 178.084 178.084 178.211 -0.127 17614 3481 1 3 . 1 1 282 282 LEU CA C 294 58.741 58.741 56.920 1.821 17614 3482 1 3 . 1 1 282 282 LEU CB C 294 41.451 41.451 41.205 0.246 17614 3483 1 3 . 1 1 282 282 LEU H H 294 7.995 7.995 7.484 0.511 17614 3484 1 3 . 1 1 283 283 LYS N N 295 117.756 117.756 116.629 1.127 17614 3485 1 3 . 1 1 283 283 LYS CA C 295 59.048 59.048 58.119 0.929 17614 3486 1 3 . 1 1 283 283 LYS CB C 295 31.871 31.871 33.092 -1.221 17614 3487 1 3 . 1 1 283 283 LYS H H 295 7.731 7.731 8.001 -0.270 17614 3488 1 3 . 1 1 284 284 ARG H H 296 7.895 7.895 8.039 -0.144 17614 3489 1 3 . 1 1 285 285 ALA C C 297 176.488 176.488 176.315 0.173 17614 3490 1 3 . 1 1 285 285 ALA H H 297 8.223 8.223 8.523 -0.300 17614 3491 1 3 . 1 1 286 286 LEU N N 298 117.376 117.376 116.233 1.143 17614 3492 1 3 . 1 1 286 286 LEU C C 298 178.628 178.628 176.025 2.603 17614 3493 1 3 . 1 1 286 286 LEU CA C 298 58.217 58.217 54.563 3.654 17614 3494 1 3 . 1 1 286 286 LEU CB C 298 41.905 41.905 43.129 -1.224 17614 3495 1 3 . 1 1 286 286 LEU H H 298 7.947 7.947 7.687 0.260 17614 3496 1 3 . 1 1 287 287 MET N N 299 127.376 127.376 120.103 7.273 17614 3497 1 3 . 1 1 287 287 MET C C 299 178.472 178.472 174.665 3.807 17614 3498 1 3 . 1 1 287 287 MET CA C 299 58.461 58.461 56.390 2.071 17614 3499 1 3 . 1 1 287 287 MET CB C 299 32.110 32.110 32.829 -0.719 17614 3500 1 3 . 1 1 287 287 MET H H 299 8.182 8.182 8.395 -0.213 17614 3501 1 3 . 1 1 288 288 ALA N N 300 121.854 121.854 124.268 -2.414 17614 3502 1 3 . 1 1 288 288 ALA C C 300 180.197 180.197 175.931 4.266 17614 3503 1 3 . 1 1 288 288 ALA CA C 300 55.617 55.617 52.722 2.895 17614 3504 1 3 . 1 1 288 288 ALA CB C 300 18.215 18.215 19.936 -1.721 17614 3505 1 3 . 1 1 288 288 ALA H H 300 7.841 7.841 8.010 -0.169 17614 3506 1 3 . 1 1 289 289 ALA N N 301 121.224 121.224 127.244 -6.020 17614 3507 1 3 . 1 1 289 289 ALA C C 301 178.939 178.939 178.145 0.794 17614 3508 1 3 . 1 1 289 289 ALA CA C 301 55.186 55.186 54.533 0.652 17614 3509 1 3 . 1 1 289 289 ALA CB C 301 18.735 18.735 18.937 -0.202 17614 3510 1 3 . 1 1 289 289 ALA H H 301 7.872 7.872 8.764 -0.892 17614 3511 1 3 . 1 1 290 290 TYR N N 302 118.183 118.183 119.897 -1.714 17614 3512 1 3 . 1 1 290 290 TYR C C 302 176.841 176.841 177.721 -0.880 17614 3513 1 3 . 1 1 290 290 TYR CA C 302 60.868 60.868 61.244 -0.376 17614 3514 1 3 . 1 1 290 290 TYR CB C 302 39.344 39.344 38.068 1.276 17614 3515 1 3 . 1 1 290 290 TYR H H 302 8.100 8.100 8.503 -0.403 17614 3516 1 3 . 1 1 291 291 GLN N N 303 117.243 117.243 118.283 -1.040 17614 3517 1 3 . 1 1 291 291 GLN C C 303 176.997 176.997 178.424 -1.427 17614 3518 1 3 . 1 1 291 291 GLN CA C 303 58.787 58.787 59.046 -0.259 17614 3519 1 3 . 1 1 291 291 GLN CB C 303 29.216 29.216 27.991 1.225 17614 3520 1 3 . 1 1 291 291 GLN H H 303 8.059 8.059 8.580 -0.521 17614 3521 1 3 . 1 1 292 292 SER N N 304 114.721 114.721 114.824 -0.103 17614 3522 1 3 . 1 1 292 292 SER C C 304 174.511 174.511 176.044 -1.533 17614 3523 1 3 . 1 1 292 292 SER CA C 304 59.720 59.720 61.854 -2.134 17614 3524 1 3 . 1 1 292 292 SER CB C 304 63.896 63.896 63.189 0.707 17614 3525 1 3 . 1 1 292 292 SER H H 304 7.718 7.718 7.883 -0.165 17614 3526 1 3 . 1 1 293 293 ARG N N 305 121.401 121.401 119.813 1.588 17614 3527 1 3 . 1 1 293 293 ARG C C 305 175.521 175.521 177.766 -2.245 17614 3528 1 3 . 1 1 293 293 ARG CA C 305 59.639 59.639 58.322 1.317 17614 3529 1 3 . 1 1 293 293 ARG CB C 305 30.568 30.568 30.321 0.247 17614 3530 1 3 . 1 1 293 293 ARG H H 305 7.609 7.609 8.079 -0.470 17614 3531 1 3 . 1 1 294 294 GLU N N 306 120.090 120.090 117.720 2.370 17614 3532 1 3 . 1 1 294 294 GLU C C 306 177.648 177.648 179.057 -1.409 17614 3533 1 3 . 1 1 294 294 GLU CA C 306 59.624 59.624 58.697 0.927 17614 3534 1 3 . 1 1 294 294 GLU CB C 306 30.362 30.362 29.534 0.828 17614 3535 1 3 . 1 1 294 294 GLU H H 306 7.909 7.909 7.636 0.273 17614 3536 1 3 . 1 1 295 295 ALA N N 307 121.234 121.234 123.803 -2.569 17614 3537 1 3 . 1 1 295 295 ALA C C 307 176.014 176.014 176.997 -0.983 17614 3538 1 3 . 1 1 295 295 ALA CA C 307 56.844 56.844 55.577 1.267 17614 3539 1 3 . 1 1 295 295 ALA CB C 307 17.735 17.735 16.880 0.855 17614 3540 1 3 . 1 1 295 295 ALA H H 307 7.760 7.760 7.655 0.105 17614 3541 1 4 . 1 1 3 3 VAL N N 15 123.095 123.095 120.859 2.236 17614 3542 1 4 . 1 1 3 3 VAL C C 15 176.453 176.453 175.901 0.552 17614 3543 1 4 . 1 1 3 3 VAL CA C 15 63.979 63.979 60.068 3.911 17614 3544 1 4 . 1 1 3 3 VAL CB C 15 32.507 32.507 34.318 -1.811 17614 3545 1 4 . 1 1 3 3 VAL H H 15 8.053 8.053 8.017 0.036 17614 3546 1 4 . 1 1 4 4 LYS N N 16 123.075 123.075 119.952 3.123 17614 3547 1 4 . 1 1 4 4 LYS C C 16 176.841 176.841 179.010 -2.169 17614 3548 1 4 . 1 1 4 4 LYS CA C 16 59.762 59.762 59.420 0.342 17614 3549 1 4 . 1 1 4 4 LYS CB C 16 32.751 32.751 31.941 0.810 17614 3550 1 4 . 1 1 4 4 LYS H H 16 8.059 8.059 8.773 -0.714 17614 3551 1 4 . 1 1 5 5 PHE N N 17 118.838 118.838 119.630 -0.792 17614 3552 1 4 . 1 1 5 5 PHE C C 17 175.443 175.443 177.214 -1.771 17614 3553 1 4 . 1 1 5 5 PHE CA C 17 59.915 59.915 61.119 -1.204 17614 3554 1 4 . 1 1 5 5 PHE CB C 17 39.659 39.659 38.756 0.903 17614 3555 1 4 . 1 1 5 5 PHE H H 17 7.909 7.909 8.109 -0.200 17614 3556 1 4 . 1 1 6 6 LEU N N 18 119.089 119.089 117.096 1.993 17614 3557 1 4 . 1 1 6 6 LEU C C 18 177.195 177.195 178.546 -1.351 17614 3558 1 4 . 1 1 6 6 LEU CA C 18 55.385 55.385 56.880 -1.495 17614 3559 1 4 . 1 1 6 6 LEU CB C 18 42.905 42.905 40.718 2.187 17614 3560 1 4 . 1 1 6 6 LEU H H 18 7.814 7.814 7.911 -0.097 17614 3561 1 4 . 1 1 7 7 GLY N N 19 108.484 108.484 108.461 0.023 17614 3562 1 4 . 1 1 7 7 GLY C C 19 174.967 174.967 175.498 -0.531 17614 3563 1 4 . 1 1 7 7 GLY CA C 19 45.518 45.518 47.019 -1.501 17614 3564 1 4 . 1 1 7 7 GLY H H 19 8.032 8.032 8.180 -0.148 17614 3565 1 4 . 1 1 8 8 ALA N N 20 124.208 124.208 123.727 0.481 17614 3566 1 4 . 1 1 8 8 ALA C C 20 179.405 179.405 179.470 -0.065 17614 3567 1 4 . 1 1 8 8 ALA CA C 20 54.531 54.531 54.381 0.150 17614 3568 1 4 . 1 1 8 8 ALA CB C 20 18.995 18.995 18.124 0.871 17614 3569 1 4 . 1 1 8 8 ALA H H 20 8.318 8.318 7.848 0.470 17614 3570 1 4 . 1 1 9 9 GLY N N 21 108.209 108.209 107.268 0.941 17614 3571 1 4 . 1 1 9 9 GLY C C 21 175.676 175.676 176.126 -0.450 17614 3572 1 4 . 1 1 9 9 GLY CA C 21 46.742 46.742 47.312 -0.570 17614 3573 1 4 . 1 1 9 9 GLY H H 21 8.523 8.523 7.956 0.567 17614 3574 1 4 . 1 1 10 10 THR N N 22 119.542 119.542 116.574 2.968 17614 3575 1 4 . 1 1 10 10 THR C C 22 175.661 175.661 176.013 -0.352 17614 3576 1 4 . 1 1 10 10 THR CA C 22 66.401 66.401 64.819 1.582 17614 3577 1 4 . 1 1 10 10 THR CB C 22 68.866 68.866 68.624 0.242 17614 3578 1 4 . 1 1 10 10 THR H H 22 7.881 7.881 8.182 -0.301 17614 3579 1 4 . 1 1 11 11 ALA N N 23 123.431 123.431 123.665 -0.234 17614 3580 1 4 . 1 1 11 11 ALA C C 23 178.628 178.628 179.049 -0.421 17614 3581 1 4 . 1 1 11 11 ALA CA C 23 55.480 55.480 55.038 0.442 17614 3582 1 4 . 1 1 11 11 ALA CB C 23 18.218 18.218 18.033 0.185 17614 3583 1 4 . 1 1 11 11 ALA H H 23 8.263 8.263 7.386 0.877 17614 3584 1 4 . 1 1 12 12 ALA N N 24 119.939 119.939 120.836 -0.897 17614 3585 1 4 . 1 1 12 12 ALA C C 24 179.172 179.172 179.159 0.013 17614 3586 1 4 . 1 1 12 12 ALA CA C 24 55.038 55.038 55.037 0.001 17614 3587 1 4 . 1 1 12 12 ALA CB C 24 18.385 18.385 17.974 0.411 17614 3588 1 4 . 1 1 12 12 ALA H H 24 7.827 7.827 8.156 -0.329 17614 3589 1 4 . 1 1 13 13 CYS N N 25 116.736 116.736 117.542 -0.806 17614 3590 1 4 . 1 1 13 13 CYS C C 25 176.220 176.220 176.938 -0.718 17614 3591 1 4 . 1 1 13 13 CYS CA C 25 58.596 58.596 63.443 -4.847 17614 3592 1 4 . 1 1 13 13 CYS CB C 25 41.771 41.771 27.446 14.325 17614 3593 1 4 . 1 1 13 13 CYS H H 25 7.677 7.677 7.426 0.251 17614 3594 1 4 . 1 1 14 14 ILE N N 26 119.154 119.154 119.653 -0.499 17614 3595 1 4 . 1 1 14 14 ILE C C 26 176.915 176.915 177.572 -0.657 17614 3596 1 4 . 1 1 14 14 ILE CA C 26 64.858 64.858 64.950 -0.092 17614 3597 1 4 . 1 1 14 14 ILE CB C 26 38.090 38.090 37.816 0.274 17614 3598 1 4 . 1 1 14 14 ILE H H 26 7.899 7.899 7.760 0.139 17614 3599 1 4 . 1 1 15 15 ALA N N 27 121.116 121.116 121.862 -0.746 17614 3600 1 4 . 1 1 15 15 ALA C C 27 179.016 179.016 178.821 0.195 17614 3601 1 4 . 1 1 15 15 ALA CA C 27 55.367 55.367 55.083 0.284 17614 3602 1 4 . 1 1 15 15 ALA CB C 27 18.385 18.385 18.243 0.142 17614 3603 1 4 . 1 1 15 15 ALA H H 27 7.909 7.909 8.013 -0.104 17614 3604 1 4 . 1 1 16 16 ASP N N 28 116.829 116.829 118.056 -1.227 17614 3605 1 4 . 1 1 16 16 ASP C C 28 177.643 177.643 178.080 -0.437 17614 3606 1 4 . 1 1 16 16 ASP CA C 28 56.453 56.453 56.426 0.027 17614 3607 1 4 . 1 1 16 16 ASP CB C 28 41.128 41.128 41.331 -0.203 17614 3608 1 4 . 1 1 16 16 ASP H H 28 7.554 7.554 7.468 0.086 17614 3609 1 4 . 1 1 17 17 LEU N N 29 119.672 119.672 121.243 -1.571 17614 3610 1 4 . 1 1 17 17 LEU C C 29 178.628 178.628 178.991 -0.363 17614 3611 1 4 . 1 1 17 17 LEU CA C 29 57.144 57.144 58.124 -0.980 17614 3612 1 4 . 1 1 17 17 LEU CB C 29 43.146 43.146 42.224 0.923 17614 3613 1 4 . 1 1 17 17 LEU H H 29 7.732 7.732 7.416 0.316 17614 3614 1 4 . 1 1 18 18 ILE N N 30 113.629 113.629 116.980 -3.351 17614 3615 1 4 . 1 1 18 18 ILE C C 30 176.456 176.456 176.796 -0.340 17614 3616 1 4 . 1 1 18 18 ILE CA C 30 60.539 60.539 63.263 -2.724 17614 3617 1 4 . 1 1 18 18 ILE CB C 30 38.506 38.506 37.230 1.276 17614 3618 1 4 . 1 1 18 18 ILE H H 30 7.977 7.977 7.606 0.371 17614 3619 1 4 . 1 1 19 19 THR N N 31 113.314 113.314 115.575 -2.261 17614 3620 1 4 . 1 1 19 19 THR C C 31 174.045 174.045 175.893 -1.848 17614 3621 1 4 . 1 1 19 19 THR CA C 31 62.495 62.495 62.841 -0.346 17614 3622 1 4 . 1 1 19 19 THR CB C 31 69.898 69.898 69.821 0.077 17614 3623 1 4 . 1 1 19 19 THR H H 31 7.738 7.738 7.240 0.498 17614 3624 1 4 . 1 1 20 20 PHE N N 32 123.409 123.409 123.348 0.061 17614 3625 1 4 . 1 1 20 20 PHE CA C 32 56.349 56.349 61.611 -5.262 17614 3626 1 4 . 1 1 20 20 PHE CB C 32 39.148 39.148 36.485 2.663 17614 3627 1 4 . 1 1 20 20 PHE H H 32 7.609 7.609 8.450 -0.841 17614 3628 1 4 . 1 1 21 21 PRO C C 33 177.831 177.831 177.595 0.236 17614 3629 1 4 . 1 1 21 21 PRO CA C 33 62.656 62.656 64.700 -2.044 17614 3630 1 4 . 1 1 21 21 PRO CB C 33 34.762 34.762 30.773 3.989 17614 3631 1 4 . 1 1 22 22 LEU N N 34 124.503 124.503 117.300 7.203 17614 3632 1 4 . 1 1 22 22 LEU C C 34 176.298 176.298 177.952 -1.654 17614 3633 1 4 . 1 1 22 22 LEU CA C 34 55.545 55.545 57.077 -1.532 17614 3634 1 4 . 1 1 22 22 LEU CB C 34 43.287 43.287 41.374 1.913 17614 3635 1 4 . 1 1 22 22 LEU H H 34 8.659 8.659 7.207 1.452 17614 3636 1 4 . 1 1 23 23 ASP N N 35 121.663 121.663 117.701 3.962 17614 3637 1 4 . 1 1 23 23 ASP C C 35 177.152 177.152 178.044 -0.892 17614 3638 1 4 . 1 1 23 23 ASP CA C 35 54.326 54.326 57.045 -2.719 17614 3639 1 4 . 1 1 23 23 ASP CB C 35 41.154 41.154 39.999 1.155 17614 3640 1 4 . 1 1 23 23 ASP H H 35 8.236 8.236 7.819 0.417 17614 3641 1 4 . 1 1 24 24 THR N N 36 115.977 115.977 111.976 4.001 17614 3642 1 4 . 1 1 24 24 THR C C 36 177.088 177.088 176.236 0.852 17614 3643 1 4 . 1 1 24 24 THR CA C 36 64.868 64.868 65.500 -0.632 17614 3644 1 4 . 1 1 24 24 THR CB C 36 69.053 69.053 68.465 0.588 17614 3645 1 4 . 1 1 24 24 THR H H 36 8.127 8.127 7.803 0.324 17614 3646 1 4 . 1 1 25 25 ALA N N 37 125.063 125.063 124.006 1.057 17614 3647 1 4 . 1 1 25 25 ALA C C 37 179.143 179.143 179.324 -0.181 17614 3648 1 4 . 1 1 25 25 ALA CA C 37 55.234 55.234 55.025 0.209 17614 3649 1 4 . 1 1 25 25 ALA CB C 37 18.735 18.735 18.508 0.227 17614 3650 1 4 . 1 1 25 25 ALA H H 37 8.042 8.042 7.798 0.244 17614 3651 1 4 . 1 1 26 26 LYS N N 38 117.827 117.827 118.169 -0.342 17614 3652 1 4 . 1 1 26 26 LYS C C 38 178.239 178.239 178.501 -0.262 17614 3653 1 4 . 1 1 26 26 LYS CA C 38 58.861 58.861 59.071 -0.210 17614 3654 1 4 . 1 1 26 26 LYS CB C 38 32.724 32.724 31.929 0.795 17614 3655 1 4 . 1 1 26 26 LYS H H 38 7.759 7.759 7.574 0.185 17614 3656 1 4 . 1 1 27 27 VAL N N 39 118.955 118.955 114.865 4.090 17614 3657 1 4 . 1 1 27 27 VAL C C 39 177.892 177.892 177.353 0.539 17614 3658 1 4 . 1 1 27 27 VAL CA C 39 65.478 65.478 64.563 0.915 17614 3659 1 4 . 1 1 27 27 VAL CB C 39 34.675 34.675 31.415 3.260 17614 3660 1 4 . 1 1 27 27 VAL H H 39 7.554 7.554 7.409 0.145 17614 3661 1 4 . 1 1 28 28 ARG N N 40 119.922 119.922 119.046 0.876 17614 3662 1 4 . 1 1 28 28 ARG C C 40 178.391 178.391 178.780 -0.389 17614 3663 1 4 . 1 1 28 28 ARG CA C 40 59.648 59.648 57.547 2.101 17614 3664 1 4 . 1 1 28 28 ARG CB C 40 29.933 29.933 29.756 0.177 17614 3665 1 4 . 1 1 28 28 ARG H H 40 7.794 7.794 7.529 0.265 17614 3666 1 4 . 1 1 29 29 LEU N N 41 118.720 118.720 121.545 -2.825 17614 3667 1 4 . 1 1 29 29 LEU CA C 41 54.749 54.749 55.220 -0.471 17614 3668 1 4 . 1 1 29 29 LEU CB C 41 40.429 40.429 39.578 0.851 17614 3669 1 4 . 1 1 29 29 LEU H H 41 7.534 7.534 7.749 -0.215 17614 3670 1 4 . 1 1 37 37 GLY C C 49 174.779 174.779 174.737 0.042 17614 3671 1 4 . 1 1 38 38 LEU N N 50 123.029 123.029 120.791 2.238 17614 3672 1 4 . 1 1 38 38 LEU C C 50 178.482 178.482 177.812 0.670 17614 3673 1 4 . 1 1 38 38 LEU CA C 50 56.765 56.765 57.407 -0.642 17614 3674 1 4 . 1 1 38 38 LEU CB C 50 41.673 41.673 41.933 -0.260 17614 3675 1 4 . 1 1 38 38 LEU H H 50 8.113 8.113 7.991 0.122 17614 3676 1 4 . 1 1 39 39 VAL N N 51 118.714 118.714 119.087 -0.373 17614 3677 1 4 . 1 1 39 39 VAL C C 51 178.032 178.032 176.954 1.078 17614 3678 1 4 . 1 1 39 39 VAL CA C 51 66.037 66.037 65.039 0.998 17614 3679 1 4 . 1 1 39 39 VAL CB C 51 30.763 30.763 31.904 -1.141 17614 3680 1 4 . 1 1 39 39 VAL H H 51 7.974 7.974 7.691 0.283 17614 3681 1 4 . 1 1 40 40 ARG N N 52 121.569 121.569 117.715 3.854 17614 3682 1 4 . 1 1 40 40 ARG CA C 52 59.167 59.167 58.397 0.770 17614 3683 1 4 . 1 1 40 40 ARG CB C 52 29.437 29.437 30.312 -0.875 17614 3684 1 4 . 1 1 40 40 ARG H H 52 8.231 8.231 7.885 0.346 17614 3685 1 4 . 1 1 41 41 THR C C 53 175.108 175.108 174.189 0.919 17614 3686 1 4 . 1 1 41 41 THR H H 53 7.948 7.948 7.470 0.478 17614 3687 1 4 . 1 1 42 42 ALA N N 54 121.823 121.823 122.151 -0.328 17614 3688 1 4 . 1 1 42 42 ALA C C 54 174.922 174.922 174.731 0.191 17614 3689 1 4 . 1 1 42 42 ALA CA C 54 50.101 50.101 51.573 -1.472 17614 3690 1 4 . 1 1 42 42 ALA CB C 54 18.950 18.950 21.527 -2.577 17614 3691 1 4 . 1 1 42 42 ALA H H 54 7.792 7.792 7.815 -0.023 17614 3692 1 4 . 1 1 43 43 ALA N N 55 113.986 113.986 125.451 -11.465 17614 3693 1 4 . 1 1 43 43 ALA C C 55 178.007 178.007 177.368 0.639 17614 3694 1 4 . 1 1 43 43 ALA CA C 55 53.458 53.458 51.046 2.412 17614 3695 1 4 . 1 1 43 43 ALA CB C 55 18.809 18.809 19.776 -0.968 17614 3696 1 4 . 1 1 43 43 ALA H H 55 7.333 7.333 8.168 -0.835 17614 3697 1 4 . 1 1 44 44 SER N N 56 125.425 125.425 116.687 8.738 17614 3698 1 4 . 1 1 44 44 SER C C 56 174.899 174.899 174.382 0.517 17614 3699 1 4 . 1 1 44 44 SER CA C 56 59.520 59.520 58.615 0.905 17614 3700 1 4 . 1 1 44 44 SER CB C 56 64.051 64.051 62.341 1.710 17614 3701 1 4 . 1 1 44 44 SER H H 56 7.786 7.786 8.389 -0.603 17614 3702 1 4 . 1 1 45 45 ALA N N 57 118.183 118.183 121.667 -3.484 17614 3703 1 4 . 1 1 45 45 ALA CA C 57 53.783 53.783 52.724 1.060 17614 3704 1 4 . 1 1 45 45 ALA CB C 57 17.599 17.599 18.012 -0.412 17614 3705 1 4 . 1 1 45 45 ALA H H 57 8.018 8.018 7.972 0.046 17614 3706 1 4 . 1 1 47 47 TYR C C 59 177.662 177.662 176.113 1.549 17614 3707 1 4 . 1 1 48 48 ARG N N 60 122.798 122.798 122.081 0.717 17614 3708 1 4 . 1 1 48 48 ARG C C 60 177.956 177.956 176.774 1.182 17614 3709 1 4 . 1 1 48 48 ARG CA C 60 58.711 58.711 57.523 1.188 17614 3710 1 4 . 1 1 48 48 ARG CB C 60 30.659 30.659 30.108 0.551 17614 3711 1 4 . 1 1 48 48 ARG H H 60 8.311 8.311 8.645 -0.334 17614 3712 1 4 . 1 1 49 49 GLY N N 61 109.033 109.033 106.929 2.104 17614 3713 1 4 . 1 1 49 49 GLY C C 61 176.064 176.064 175.307 0.757 17614 3714 1 4 . 1 1 49 49 GLY CA C 61 46.592 46.592 45.318 1.274 17614 3715 1 4 . 1 1 49 49 GLY H H 61 8.182 8.182 8.052 0.130 17614 3716 1 4 . 1 1 50 50 VAL N N 62 123.218 123.218 126.252 -3.034 17614 3717 1 4 . 1 1 50 50 VAL C C 62 177.540 177.540 177.643 -0.103 17614 3718 1 4 . 1 1 50 50 VAL CA C 62 66.277 66.277 64.720 1.557 17614 3719 1 4 . 1 1 50 50 VAL CB C 62 32.355 32.355 31.948 0.407 17614 3720 1 4 . 1 1 50 50 VAL H H 62 8.105 8.105 8.460 -0.355 17614 3721 1 4 . 1 1 51 51 LEU N N 63 120.295 120.295 119.234 1.061 17614 3722 1 4 . 1 1 51 51 LEU C C 63 178.628 178.628 179.025 -0.397 17614 3723 1 4 . 1 1 51 51 LEU CA C 63 58.366 58.366 57.438 0.928 17614 3724 1 4 . 1 1 51 51 LEU CB C 63 41.675 41.675 40.859 0.816 17614 3725 1 4 . 1 1 51 51 LEU H H 63 8.182 8.182 8.153 0.029 17614 3726 1 4 . 1 1 52 52 GLY N N 64 106.013 106.013 106.165 -0.152 17614 3727 1 4 . 1 1 52 52 GLY C C 64 176.531 176.531 175.908 0.623 17614 3728 1 4 . 1 1 52 52 GLY CA C 64 47.765 47.765 46.914 0.851 17614 3729 1 4 . 1 1 52 52 GLY H H 64 8.102 8.102 7.679 0.423 17614 3730 1 4 . 1 1 53 53 THR N N 65 120.842 120.842 117.601 3.241 17614 3731 1 4 . 1 1 53 53 THR C C 65 176.453 176.453 176.584 -0.131 17614 3732 1 4 . 1 1 53 53 THR CA C 65 67.140 67.140 65.516 1.623 17614 3733 1 4 . 1 1 53 53 THR CB C 65 69.161 69.161 68.880 0.281 17614 3734 1 4 . 1 1 53 53 THR H H 65 7.854 7.854 7.385 0.469 17614 3735 1 4 . 1 1 54 54 ILE N N 66 122.676 122.676 119.272 3.404 17614 3736 1 4 . 1 1 54 54 ILE C C 66 177.307 177.307 177.504 -0.197 17614 3737 1 4 . 1 1 54 54 ILE CA C 66 65.832 65.832 64.479 1.353 17614 3738 1 4 . 1 1 54 54 ILE CB C 66 38.090 38.090 37.435 0.655 17614 3739 1 4 . 1 1 54 54 ILE H H 66 8.018 8.018 7.379 0.639 17614 3740 1 4 . 1 1 55 55 LEU N N 67 119.838 119.838 119.701 0.137 17614 3741 1 4 . 1 1 55 55 LEU C C 67 178.706 178.706 179.120 -0.414 17614 3742 1 4 . 1 1 55 55 LEU CA C 67 58.491 58.491 57.801 0.690 17614 3743 1 4 . 1 1 55 55 LEU CB C 67 41.387 41.387 41.336 0.051 17614 3744 1 4 . 1 1 55 55 LEU H H 67 8.291 8.291 7.560 0.731 17614 3745 1 4 . 1 1 56 56 THR N N 68 115.362 115.362 115.222 0.140 17614 3746 1 4 . 1 1 56 56 THR C C 68 176.764 176.764 176.516 0.248 17614 3747 1 4 . 1 1 56 56 THR CA C 68 67.040 67.040 66.243 0.797 17614 3748 1 4 . 1 1 56 56 THR CB C 68 69.403 69.403 68.693 0.710 17614 3749 1 4 . 1 1 56 56 THR H H 68 7.963 7.963 7.200 0.763 17614 3750 1 4 . 1 1 57 57 MET N N 69 122.960 122.960 120.470 2.490 17614 3751 1 4 . 1 1 57 57 MET C C 69 177.153 177.153 177.951 -0.798 17614 3752 1 4 . 1 1 57 57 MET CA C 69 59.710 59.710 58.210 1.500 17614 3753 1 4 . 1 1 57 57 MET CB C 69 33.111 33.111 32.026 1.085 17614 3754 1 4 . 1 1 57 57 MET H H 69 7.977 7.977 7.641 0.336 17614 3755 1 4 . 1 1 58 58 VAL N N 70 119.558 119.558 118.520 1.038 17614 3756 1 4 . 1 1 58 58 VAL C C 70 176.841 176.841 176.947 -0.106 17614 3757 1 4 . 1 1 58 58 VAL CA C 70 66.277 66.277 64.624 1.653 17614 3758 1 4 . 1 1 58 58 VAL CB C 70 31.362 31.362 31.768 -0.406 17614 3759 1 4 . 1 1 58 58 VAL H H 70 7.751 7.751 7.520 0.231 17614 3760 1 4 . 1 1 59 59 ARG N N 71 118.002 118.002 118.020 -0.018 17614 3761 1 4 . 1 1 59 59 ARG C C 71 177.152 177.152 178.058 -0.906 17614 3762 1 4 . 1 1 59 59 ARG CA C 71 58.761 58.761 58.125 0.636 17614 3763 1 4 . 1 1 59 59 ARG CB C 71 30.656 30.656 30.130 0.527 17614 3764 1 4 . 1 1 59 59 ARG H H 71 7.827 7.827 7.505 0.322 17614 3765 1 4 . 1 1 60 60 THR N N 72 111.410 111.410 114.798 -3.388 17614 3766 1 4 . 1 1 60 60 THR C C 72 175.288 175.288 175.445 -0.157 17614 3767 1 4 . 1 1 60 60 THR CA C 72 64.194 64.194 65.885 -1.691 17614 3768 1 4 . 1 1 60 60 THR CB C 72 70.312 70.312 68.971 1.341 17614 3769 1 4 . 1 1 60 60 THR H H 72 7.745 7.745 7.637 0.108 17614 3770 1 4 . 1 1 61 61 GLU N N 73 120.577 120.577 119.736 0.841 17614 3771 1 4 . 1 1 61 61 GLU C C 73 177.696 177.696 176.213 1.483 17614 3772 1 4 . 1 1 61 61 GLU CA C 73 57.363 57.363 56.338 1.025 17614 3773 1 4 . 1 1 61 61 GLU CB C 73 30.927 30.927 32.522 -1.595 17614 3774 1 4 . 1 1 61 61 GLU H H 73 8.263 8.263 7.890 0.373 17614 3775 1 4 . 1 1 62 62 GLY N N 74 108.209 108.209 107.595 0.614 17614 3776 1 4 . 1 1 62 62 GLY CA C 74 45.593 45.593 44.931 0.662 17614 3777 1 4 . 1 1 62 62 GLY H H 74 7.841 7.841 7.428 0.413 17614 3778 1 4 . 1 1 63 63 PRO C C 75 177.152 177.152 178.418 -1.266 17614 3779 1 4 . 1 1 63 63 PRO CA C 75 65.652 65.652 64.846 0.806 17614 3780 1 4 . 1 1 63 63 PRO CB C 75 32.294 32.294 32.034 0.260 17614 3781 1 4 . 1 1 64 64 ARG N N 76 118.553 118.553 115.606 2.947 17614 3782 1 4 . 1 1 64 64 ARG C C 76 177.696 177.696 177.950 -0.254 17614 3783 1 4 . 1 1 64 64 ARG CA C 76 59.785 59.785 58.557 1.228 17614 3784 1 4 . 1 1 64 64 ARG CB C 76 29.671 29.671 29.112 0.559 17614 3785 1 4 . 1 1 64 64 ARG H H 76 8.427 8.427 8.644 -0.217 17614 3786 1 4 . 1 1 65 65 SER N N 77 115.323 115.323 113.682 1.641 17614 3787 1 4 . 1 1 65 65 SER C C 77 177.230 177.230 175.421 1.809 17614 3788 1 4 . 1 1 65 65 SER CA C 77 61.318 61.318 60.592 0.726 17614 3789 1 4 . 1 1 65 65 SER CB C 77 63.281 63.281 63.665 -0.384 17614 3790 1 4 . 1 1 65 65 SER H H 77 7.963 7.963 8.085 -0.122 17614 3791 1 4 . 1 1 66 66 LEU N N 78 122.598 122.598 119.697 2.901 17614 3792 1 4 . 1 1 66 66 LEU C C 78 177.696 177.696 178.528 -0.832 17614 3793 1 4 . 1 1 66 66 LEU CA C 78 57.792 57.792 56.646 1.146 17614 3794 1 4 . 1 1 66 66 LEU CB C 78 42.202 42.202 41.610 0.592 17614 3795 1 4 . 1 1 66 66 LEU H H 78 7.595 7.595 7.633 -0.038 17614 3796 1 4 . 1 1 67 67 TYR N N 79 119.276 119.276 115.722 3.554 17614 3797 1 4 . 1 1 67 67 TYR C C 79 176.142 176.142 176.327 -0.185 17614 3798 1 4 . 1 1 67 67 TYR CA C 79 60.792 60.792 59.413 1.379 17614 3799 1 4 . 1 1 67 67 TYR CB C 79 38.687 38.687 37.914 0.773 17614 3800 1 4 . 1 1 67 67 TYR H H 79 7.868 7.868 7.489 0.379 17614 3801 1 4 . 1 1 68 68 ASN N N 80 117.249 117.249 117.360 -0.111 17614 3802 1 4 . 1 1 68 68 ASN C C 80 178.472 178.472 175.573 2.899 17614 3803 1 4 . 1 1 68 68 ASN CA C 80 53.024 53.024 51.885 1.139 17614 3804 1 4 . 1 1 68 68 ASN CB C 80 37.946 37.946 37.245 0.702 17614 3805 1 4 . 1 1 68 68 ASN H H 80 8.374 8.374 7.602 0.772 17614 3806 1 4 . 1 1 69 69 GLY N N 81 108.575 108.575 107.187 1.388 17614 3807 1 4 . 1 1 69 69 GLY C C 81 175.521 175.521 174.977 0.544 17614 3808 1 4 . 1 1 69 69 GLY CA C 81 46.266 46.266 45.651 0.615 17614 3809 1 4 . 1 1 69 69 GLY H H 81 8.086 8.086 7.436 0.650 17614 3810 1 4 . 1 1 70 70 LEU N N 82 124.326 124.326 123.639 0.687 17614 3811 1 4 . 1 1 70 70 LEU C C 82 178.239 178.239 177.641 0.598 17614 3812 1 4 . 1 1 70 70 LEU CA C 82 58.217 58.217 57.552 0.665 17614 3813 1 4 . 1 1 70 70 LEU CB C 82 42.351 42.351 41.849 0.502 17614 3814 1 4 . 1 1 70 70 LEU H H 82 7.991 7.991 7.705 0.286 17614 3815 1 4 . 1 1 71 71 VAL N N 83 117.727 117.727 117.970 -0.243 17614 3816 1 4 . 1 1 71 71 VAL C C 83 177.851 177.851 176.886 0.965 17614 3817 1 4 . 1 1 71 71 VAL CA C 83 64.113 64.113 64.949 -0.836 17614 3818 1 4 . 1 1 71 71 VAL CB C 83 31.924 31.924 31.428 0.496 17614 3819 1 4 . 1 1 71 71 VAL H H 83 8.004 8.004 8.126 -0.122 17614 3820 1 4 . 1 1 72 72 ALA N N 84 121.414 121.414 121.802 -0.388 17614 3821 1 4 . 1 1 72 72 ALA C C 84 180.570 180.570 179.579 0.991 17614 3822 1 4 . 1 1 72 72 ALA CA C 84 55.031 55.031 54.330 0.702 17614 3823 1 4 . 1 1 72 72 ALA CB C 84 18.286 18.286 18.543 -0.257 17614 3824 1 4 . 1 1 72 72 ALA H H 84 7.677 7.677 7.204 0.473 17614 3825 1 4 . 1 1 73 73 GLY N N 85 106.471 106.471 107.254 -0.783 17614 3826 1 4 . 1 1 73 73 GLY C C 85 175.521 175.521 176.011 -0.490 17614 3827 1 4 . 1 1 73 73 GLY CA C 85 47.191 47.191 46.535 0.656 17614 3828 1 4 . 1 1 73 73 GLY H H 85 7.963 7.963 7.665 0.298 17614 3829 1 4 . 1 1 74 74 LEU N N 86 122.326 122.326 121.732 0.594 17614 3830 1 4 . 1 1 74 74 LEU C C 86 178.239 178.239 179.142 -0.903 17614 3831 1 4 . 1 1 74 74 LEU CA C 86 57.493 57.493 57.265 0.228 17614 3832 1 4 . 1 1 74 74 LEU CB C 86 42.202 42.202 41.512 0.690 17614 3833 1 4 . 1 1 74 74 LEU H H 86 8.100 8.100 7.403 0.697 17614 3834 1 4 . 1 1 75 75 GLN N N 87 117.736 117.736 117.195 0.541 17614 3835 1 4 . 1 1 75 75 GLN C C 87 177.340 177.340 178.197 -0.857 17614 3836 1 4 . 1 1 75 75 GLN CA C 87 57.787 57.787 58.907 -1.120 17614 3837 1 4 . 1 1 75 75 GLN CB C 87 28.942 28.942 28.206 0.736 17614 3838 1 4 . 1 1 75 75 GLN H H 87 8.004 8.004 7.805 0.199 17614 3839 1 4 . 1 1 76 76 ARG N N 88 118.107 118.107 119.958 -1.851 17614 3840 1 4 . 1 1 76 76 ARG C C 88 177.930 177.930 178.374 -0.444 17614 3841 1 4 . 1 1 76 76 ARG CA C 88 58.062 58.062 59.480 -1.417 17614 3842 1 4 . 1 1 76 76 ARG CB C 88 30.774 30.774 29.738 1.036 17614 3843 1 4 . 1 1 76 76 ARG H H 88 7.568 7.568 7.384 0.184 17614 3844 1 4 . 1 1 77 77 GLN N N 89 117.921 117.921 118.749 -0.828 17614 3845 1 4 . 1 1 77 77 GLN C C 89 177.375 177.375 178.500 -1.125 17614 3846 1 4 . 1 1 77 77 GLN CA C 89 56.838 56.838 58.586 -1.748 17614 3847 1 4 . 1 1 77 77 GLN CB C 89 29.006 29.006 28.646 0.360 17614 3848 1 4 . 1 1 77 77 GLN H H 89 7.827 7.827 7.449 0.378 17614 3849 1 4 . 1 1 78 78 MET N N 90 118.378 118.378 119.266 -0.888 17614 3850 1 4 . 1 1 78 78 MET C C 90 176.365 176.365 178.487 -2.122 17614 3851 1 4 . 1 1 78 78 MET CA C 90 56.339 56.339 58.261 -1.922 17614 3852 1 4 . 1 1 78 78 MET CB C 90 33.444 33.444 32.140 1.304 17614 3853 1 4 . 1 1 78 78 MET H H 90 7.963 7.963 8.374 -0.411 17614 3854 1 4 . 1 1 79 79 SER N N 91 115.089 115.089 114.575 0.514 17614 3855 1 4 . 1 1 79 79 SER C C 91 175.899 175.899 176.389 -0.490 17614 3856 1 4 . 1 1 79 79 SER CA C 91 58.621 58.621 61.050 -2.429 17614 3857 1 4 . 1 1 79 79 SER CB C 91 64.337 64.337 62.916 1.421 17614 3858 1 4 . 1 1 79 79 SER H H 91 7.868 7.868 7.824 0.044 17614 3859 1 4 . 1 1 80 80 PHE N N 92 122.852 122.852 122.845 0.007 17614 3860 1 4 . 1 1 80 80 PHE C C 92 177.375 177.375 176.623 0.752 17614 3861 1 4 . 1 1 80 80 PHE CA C 92 59.095 59.095 61.446 -2.351 17614 3862 1 4 . 1 1 80 80 PHE CB C 92 38.937 38.937 39.078 -0.141 17614 3863 1 4 . 1 1 80 80 PHE H H 92 8.332 8.332 7.565 0.767 17614 3864 1 4 . 1 1 81 81 ALA N N 93 123.258 123.258 119.153 4.105 17614 3865 1 4 . 1 1 81 81 ALA C C 93 178.628 178.628 178.586 0.042 17614 3866 1 4 . 1 1 81 81 ALA CA C 93 54.881 54.881 54.484 0.397 17614 3867 1 4 . 1 1 81 81 ALA CB C 93 17.902 17.902 18.190 -0.288 17614 3868 1 4 . 1 1 81 81 ALA H H 93 8.223 8.223 7.688 0.535 17614 3869 1 4 . 1 1 82 82 SER N N 94 112.886 112.886 114.687 -1.801 17614 3870 1 4 . 1 1 82 82 SER C C 94 176.831 176.831 176.870 -0.039 17614 3871 1 4 . 1 1 82 82 SER CA C 94 60.319 60.319 60.649 -0.330 17614 3872 1 4 . 1 1 82 82 SER CB C 94 63.611 63.611 63.615 -0.004 17614 3873 1 4 . 1 1 82 82 SER H H 94 7.977 7.977 7.484 0.493 17614 3874 1 4 . 1 1 83 83 VAL N N 95 121.854 121.854 122.850 -0.996 17614 3875 1 4 . 1 1 83 83 VAL C C 95 176.220 176.220 175.903 0.317 17614 3876 1 4 . 1 1 83 83 VAL CA C 95 64.629 64.629 64.696 -0.067 17614 3877 1 4 . 1 1 83 83 VAL CB C 95 31.328 31.328 31.584 -0.256 17614 3878 1 4 . 1 1 83 83 VAL H H 95 7.581 7.581 8.271 -0.690 17614 3879 1 4 . 1 1 84 84 ARG N N 96 121.329 121.329 118.036 3.293 17614 3880 1 4 . 1 1 84 84 ARG C C 96 176.814 176.814 176.903 -0.089 17614 3881 1 4 . 1 1 84 84 ARG CA C 96 58.636 58.636 57.710 0.926 17614 3882 1 4 . 1 1 84 84 ARG CB C 96 30.672 30.672 29.250 1.422 17614 3883 1 4 . 1 1 84 84 ARG H H 96 7.936 7.936 7.231 0.705 17614 3884 1 4 . 1 1 85 85 ILE N N 97 119.194 119.194 118.658 0.536 17614 3885 1 4 . 1 1 85 85 ILE C C 97 177.152 177.152 176.035 1.117 17614 3886 1 4 . 1 1 85 85 ILE CA C 97 63.296 63.296 62.237 1.058 17614 3887 1 4 . 1 1 85 85 ILE CB C 97 38.757 38.757 38.914 -0.157 17614 3888 1 4 . 1 1 85 85 ILE H H 97 7.802 7.802 7.479 0.323 17614 3889 1 4 . 1 1 86 86 GLY N N 98 109.857 109.857 107.507 2.350 17614 3890 1 4 . 1 1 86 86 GLY C C 98 176.064 176.064 174.918 1.146 17614 3891 1 4 . 1 1 86 86 GLY CA C 98 46.941 46.941 46.183 0.758 17614 3892 1 4 . 1 1 86 86 GLY H H 98 8.127 8.127 7.701 0.426 17614 3893 1 4 . 1 1 87 87 LEU N N 99 123.258 123.258 122.682 0.576 17614 3894 1 4 . 1 1 87 87 LEU C C 99 177.856 177.856 178.370 -0.514 17614 3895 1 4 . 1 1 87 87 LEU CA C 99 58.264 58.264 56.298 1.966 17614 3896 1 4 . 1 1 87 87 LEU CB C 99 42.488 42.488 41.459 1.029 17614 3897 1 4 . 1 1 87 87 LEU H H 99 8.223 8.223 8.009 0.214 17614 3898 1 4 . 1 1 88 88 TYR N N 100 119.770 119.770 120.824 -1.054 17614 3899 1 4 . 1 1 88 88 TYR C C 100 176.997 176.997 176.423 0.574 17614 3900 1 4 . 1 1 88 88 TYR CA C 100 61.592 61.592 62.839 -1.247 17614 3901 1 4 . 1 1 88 88 TYR CB C 100 38.809 38.809 38.621 0.188 17614 3902 1 4 . 1 1 88 88 TYR H H 100 8.207 8.207 7.962 0.245 17614 3903 1 4 . 1 1 89 89 ASP N N 101 118.460 118.460 117.116 1.344 17614 3904 1 4 . 1 1 89 89 ASP C C 101 178.939 178.939 178.405 0.534 17614 3905 1 4 . 1 1 89 89 ASP CA C 101 57.797 57.797 56.770 1.027 17614 3906 1 4 . 1 1 89 89 ASP CB C 101 40.498 40.498 39.681 0.817 17614 3907 1 4 . 1 1 89 89 ASP H H 101 8.401 8.401 8.763 -0.362 17614 3908 1 4 . 1 1 90 90 SER N N 102 116.022 116.022 116.205 -0.183 17614 3909 1 4 . 1 1 90 90 SER C C 102 176.005 176.005 176.551 -0.546 17614 3910 1 4 . 1 1 90 90 SER CA C 102 62.791 62.791 61.583 1.208 17614 3911 1 4 . 1 1 90 90 SER CB C 102 64.211 64.211 63.083 1.128 17614 3912 1 4 . 1 1 90 90 SER H H 102 7.854 7.854 7.663 0.191 17614 3913 1 4 . 1 1 91 91 VAL N N 103 120.844 120.844 121.221 -0.377 17614 3914 1 4 . 1 1 91 91 VAL C C 103 177.307 177.307 177.726 -0.419 17614 3915 1 4 . 1 1 91 91 VAL CA C 103 66.510 66.510 65.640 0.870 17614 3916 1 4 . 1 1 91 91 VAL CB C 103 31.965 31.965 31.524 0.441 17614 3917 1 4 . 1 1 91 91 VAL H H 103 7.926 7.926 7.521 0.405 17614 3918 1 4 . 1 1 92 92 LYS N N 104 120.468 120.468 119.702 0.766 17614 3919 1 4 . 1 1 92 92 LYS C C 104 178.861 178.861 179.040 -0.179 17614 3920 1 4 . 1 1 92 92 LYS CA C 104 60.184 60.184 59.303 0.880 17614 3921 1 4 . 1 1 92 92 LYS CB C 104 31.979 31.979 31.896 0.083 17614 3922 1 4 . 1 1 92 92 LYS H H 104 8.127 8.127 7.895 0.232 17614 3923 1 4 . 1 1 93 93 GLN N N 105 118.386 118.386 117.138 1.248 17614 3924 1 4 . 1 1 93 93 GLN C C 105 177.540 177.540 177.874 -0.334 17614 3925 1 4 . 1 1 93 93 GLN CA C 105 58.786 58.786 57.550 1.236 17614 3926 1 4 . 1 1 93 93 GLN CB C 105 28.377 28.377 28.657 -0.280 17614 3927 1 4 . 1 1 93 93 GLN H H 105 7.841 7.841 7.951 -0.110 17614 3928 1 4 . 1 1 94 94 PHE N N 106 119.471 119.471 118.145 1.326 17614 3929 1 4 . 1 1 94 94 PHE C C 106 176.531 176.531 175.387 1.144 17614 3930 1 4 . 1 1 94 94 PHE CA C 106 60.593 60.593 60.201 0.392 17614 3931 1 4 . 1 1 94 94 PHE CB C 106 39.459 39.459 39.334 0.125 17614 3932 1 4 . 1 1 94 94 PHE H H 106 7.772 7.772 7.514 0.258 17614 3933 1 4 . 1 1 95 95 TYR N N 107 118.288 118.288 113.404 4.884 17614 3934 1 4 . 1 1 95 95 TYR C C 107 176.220 176.220 176.619 -0.399 17614 3935 1 4 . 1 1 95 95 TYR CA C 107 60.543 60.543 58.442 2.101 17614 3936 1 4 . 1 1 95 95 TYR CB C 107 38.819 38.819 40.328 -1.509 17614 3937 1 4 . 1 1 95 95 TYR H H 107 8.045 8.045 7.451 0.594 17614 3938 1 4 . 1 1 96 96 THR N N 108 113.383 113.383 111.544 1.839 17614 3939 1 4 . 1 1 96 96 THR C C 108 175.288 175.288 174.280 1.008 17614 3940 1 4 . 1 1 96 96 THR CA C 108 64.094 64.094 61.571 2.523 17614 3941 1 4 . 1 1 96 96 THR CB C 108 69.986 69.986 68.823 1.163 17614 3942 1 4 . 1 1 96 96 THR H H 108 7.868 7.868 7.627 0.241 17614 3943 1 4 . 1 1 101 101 HIS C C 113 173.413 173.413 174.432 -1.019 17614 3944 1 4 . 1 1 101 101 HIS H H 113 7.968 7.968 8.674 -0.706 17614 3945 1 4 . 1 1 102 102 ALA N N 114 119.456 119.456 120.958 -1.502 17614 3946 1 4 . 1 1 102 102 ALA C C 114 177.851 177.851 176.090 1.761 17614 3947 1 4 . 1 1 102 102 ALA CA C 114 53.283 53.283 52.127 1.156 17614 3948 1 4 . 1 1 102 102 ALA CB C 114 19.362 19.362 19.371 -0.009 17614 3949 1 4 . 1 1 102 102 ALA H H 114 8.433 8.433 7.939 0.494 17614 3950 1 4 . 1 1 103 103 GLY N N 115 108.484 108.484 105.622 2.862 17614 3951 1 4 . 1 1 103 103 GLY C C 115 174.822 174.822 175.249 -0.427 17614 3952 1 4 . 1 1 103 103 GLY CA C 115 45.968 45.968 45.175 0.793 17614 3953 1 4 . 1 1 103 103 GLY H H 115 8.250 8.250 8.184 0.066 17614 3954 1 4 . 1 1 104 104 ILE N N 116 121.139 121.139 121.222 -0.083 17614 3955 1 4 . 1 1 104 104 ILE C C 116 176.841 176.841 176.823 0.018 17614 3956 1 4 . 1 1 104 104 ILE CA C 116 63.160 63.160 64.012 -0.852 17614 3957 1 4 . 1 1 104 104 ILE CB C 116 38.853 38.853 38.063 0.790 17614 3958 1 4 . 1 1 104 104 ILE H H 116 8.127 8.127 8.163 -0.036 17614 3959 1 4 . 1 1 105 105 GLY N N 117 110.863 110.863 107.387 3.476 17614 3960 1 4 . 1 1 105 105 GLY C C 117 174.588 174.588 175.517 -0.929 17614 3961 1 4 . 1 1 105 105 GLY CA C 117 46.791 46.791 47.280 -0.489 17614 3962 1 4 . 1 1 105 105 GLY H H 117 8.509 8.509 8.517 -0.008 17614 3963 1 4 . 1 1 106 106 SER N N 118 116.069 116.069 118.140 -2.071 17614 3964 1 4 . 1 1 106 106 SER C C 118 175.754 175.754 176.786 -1.032 17614 3965 1 4 . 1 1 106 106 SER CA C 118 60.319 60.319 61.385 -1.066 17614 3966 1 4 . 1 1 106 106 SER CB C 118 63.864 63.864 62.512 1.352 17614 3967 1 4 . 1 1 106 106 SER H H 118 7.991 7.991 8.120 -0.129 17614 3968 1 4 . 1 1 107 107 ARG N N 119 122.134 122.134 122.133 0.001 17614 3969 1 4 . 1 1 107 107 ARG C C 119 178.228 178.228 178.766 -0.538 17614 3970 1 4 . 1 1 107 107 ARG CA C 119 57.787 57.787 59.499 -1.712 17614 3971 1 4 . 1 1 107 107 ARG CB C 119 30.549 30.549 29.998 0.551 17614 3972 1 4 . 1 1 107 107 ARG H H 119 7.963 7.963 8.302 -0.339 17614 3973 1 4 . 1 1 108 108 LEU N N 120 120.403 120.403 122.540 -2.137 17614 3974 1 4 . 1 1 108 108 LEU C C 120 177.230 177.230 178.677 -1.447 17614 3975 1 4 . 1 1 108 108 LEU CA C 120 57.967 57.967 58.125 -0.158 17614 3976 1 4 . 1 1 108 108 LEU CB C 120 42.146 42.146 41.968 0.179 17614 3977 1 4 . 1 1 108 108 LEU H H 120 7.914 7.914 7.596 0.318 17614 3978 1 4 . 1 1 109 109 LEU N N 121 118.960 118.960 119.296 -0.336 17614 3979 1 4 . 1 1 109 109 LEU C C 121 177.152 177.152 179.175 -2.023 17614 3980 1 4 . 1 1 109 109 LEU CA C 121 55.495 55.495 58.302 -2.807 17614 3981 1 4 . 1 1 109 109 LEU CB C 121 42.238 42.238 41.246 0.992 17614 3982 1 4 . 1 1 109 109 LEU H H 121 7.718 7.718 8.323 -0.605 17614 3983 1 4 . 1 1 110 110 ALA N N 122 123.063 123.063 121.479 1.584 17614 3984 1 4 . 1 1 110 110 ALA C C 122 178.317 178.317 179.832 -1.515 17614 3985 1 4 . 1 1 110 110 ALA CA C 122 53.358 53.358 55.560 -2.202 17614 3986 1 4 . 1 1 110 110 ALA CB C 122 19.218 19.218 18.108 1.110 17614 3987 1 4 . 1 1 110 110 ALA H H 122 7.745 7.745 8.946 -1.201 17614 3988 1 4 . 1 1 111 111 GLY N N 123 107.843 107.843 106.808 1.035 17614 3989 1 4 . 1 1 111 111 GLY C C 123 176.912 176.912 176.576 0.336 17614 3990 1 4 . 1 1 111 111 GLY CA C 123 45.943 45.943 47.179 -1.236 17614 3991 1 4 . 1 1 111 111 GLY H H 123 8.113 8.113 8.847 -0.734 17614 3992 1 4 . 1 1 112 112 SER N N 124 116.105 116.105 118.788 -2.683 17614 3993 1 4 . 1 1 112 112 SER C C 124 175.574 175.574 176.824 -1.250 17614 3994 1 4 . 1 1 112 112 SER CA C 124 59.145 59.145 62.229 -3.084 17614 3995 1 4 . 1 1 112 112 SER CB C 124 64.211 64.211 63.320 0.891 17614 3996 1 4 . 1 1 112 112 SER H H 124 8.109 8.109 8.515 -0.406 17614 3997 1 4 . 1 1 113 113 THR N N 125 116.069 116.069 118.587 -2.518 17614 3998 1 4 . 1 1 113 113 THR C C 125 176.055 176.055 176.803 -0.748 17614 3999 1 4 . 1 1 113 113 THR CA C 125 66.921 66.921 66.719 0.202 17614 4000 1 4 . 1 1 113 113 THR CB C 125 69.682 69.682 69.026 0.656 17614 4001 1 4 . 1 1 113 113 THR H H 125 8.086 8.086 8.367 -0.281 17614 4002 1 4 . 1 1 114 114 THR N N 126 115.439 115.439 115.057 0.382 17614 4003 1 4 . 1 1 114 114 THR C C 126 177.443 177.443 176.827 0.616 17614 4004 1 4 . 1 1 114 114 THR CA C 126 65.285 65.285 66.101 -0.816 17614 4005 1 4 . 1 1 114 114 THR CB C 126 68.364 68.364 68.418 -0.054 17614 4006 1 4 . 1 1 114 114 THR H H 126 7.977 7.977 8.375 -0.398 17614 4007 1 4 . 1 1 115 115 GLY N N 127 115.453 115.453 109.149 6.304 17614 4008 1 4 . 1 1 115 115 GLY C C 127 174.215 174.215 175.213 -0.998 17614 4009 1 4 . 1 1 115 115 GLY CA C 127 46.117 46.117 46.665 -0.548 17614 4010 1 4 . 1 1 115 115 GLY H H 127 8.168 8.168 8.175 -0.007 17614 4011 1 4 . 1 1 116 116 ALA N N 128 123.952 123.952 124.892 -0.940 17614 4012 1 4 . 1 1 116 116 ALA C C 128 178.162 178.162 179.259 -1.097 17614 4013 1 4 . 1 1 116 116 ALA CA C 128 53.349 53.349 54.658 -1.309 17614 4014 1 4 . 1 1 116 116 ALA CB C 128 19.099 19.099 18.486 0.613 17614 4015 1 4 . 1 1 116 116 ALA H H 128 7.919 7.919 7.463 0.456 17614 4016 1 4 . 1 1 117 117 LEU N N 129 120.025 120.025 119.479 0.546 17614 4017 1 4 . 1 1 117 117 LEU C C 129 177.949 177.949 178.485 -0.536 17614 4018 1 4 . 1 1 117 117 LEU CA C 129 56.019 56.019 57.357 -1.338 17614 4019 1 4 . 1 1 117 117 LEU CB C 129 42.340 42.340 41.691 0.649 17614 4020 1 4 . 1 1 117 117 LEU H H 129 7.936 7.936 7.517 0.419 17614 4021 1 4 . 1 1 118 118 ALA N N 130 123.402 123.402 121.104 2.298 17614 4022 1 4 . 1 1 118 118 ALA C C 130 177.929 177.929 179.465 -1.536 17614 4023 1 4 . 1 1 118 118 ALA CA C 130 53.283 53.283 54.950 -1.667 17614 4024 1 4 . 1 1 118 118 ALA CB C 130 18.964 18.964 18.069 0.895 17614 4025 1 4 . 1 1 118 118 ALA H H 130 7.868 7.868 8.090 -0.222 17614 4026 1 4 . 1 1 119 119 VAL N N 131 118.111 118.111 117.604 0.507 17614 4027 1 4 . 1 1 119 119 VAL C C 131 176.025 176.025 177.113 -1.088 17614 4028 1 4 . 1 1 119 119 VAL CA C 131 63.180 63.180 64.693 -1.513 17614 4029 1 4 . 1 1 119 119 VAL CB C 131 32.898 32.898 31.673 1.225 17614 4030 1 4 . 1 1 119 119 VAL H H 131 7.636 7.636 7.828 -0.192 17614 4031 1 4 . 1 1 120 120 ALA N N 132 124.047 124.047 121.930 2.117 17614 4032 1 4 . 1 1 120 120 ALA C C 132 179.008 179.008 178.713 0.295 17614 4033 1 4 . 1 1 120 120 ALA CA C 132 53.707 53.707 54.626 -0.919 17614 4034 1 4 . 1 1 120 120 ALA CB C 132 19.150 19.150 18.505 0.645 17614 4035 1 4 . 1 1 120 120 ALA H H 132 7.911 7.911 7.445 0.466 17614 4036 1 4 . 1 1 121 121 VAL N N 133 113.349 113.349 118.703 -5.354 17614 4037 1 4 . 1 1 121 121 VAL C C 133 175.527 175.527 175.937 -0.410 17614 4038 1 4 . 1 1 121 121 VAL CA C 133 64.115 64.115 64.225 -0.110 17614 4039 1 4 . 1 1 121 121 VAL CB C 133 31.832 31.832 32.850 -1.018 17614 4040 1 4 . 1 1 121 121 VAL H H 133 7.094 7.094 7.345 -0.251 17614 4041 1 4 . 1 1 122 122 ALA N N 134 123.224 123.224 122.112 1.112 17614 4042 1 4 . 1 1 122 122 ALA CA C 134 55.493 55.493 51.448 4.045 17614 4043 1 4 . 1 1 122 122 ALA H H 134 7.586 7.586 7.456 0.130 17614 4044 1 4 . 1 1 124 124 PRO C C 136 177.074 177.074 178.468 -1.394 17614 4045 1 4 . 1 1 125 125 THR N N 137 113.281 113.281 109.274 4.007 17614 4046 1 4 . 1 1 125 125 THR C C 137 174.485 174.485 176.463 -1.978 17614 4047 1 4 . 1 1 125 125 THR CA C 137 64.496 64.496 66.389 -1.893 17614 4048 1 4 . 1 1 125 125 THR CB C 137 69.997 69.997 68.409 1.588 17614 4049 1 4 . 1 1 125 125 THR H H 137 7.963 7.963 8.054 -0.091 17614 4050 1 4 . 1 1 126 126 ASP N N 138 122.770 122.770 121.402 1.368 17614 4051 1 4 . 1 1 126 126 ASP C C 138 178.458 178.458 178.409 0.049 17614 4052 1 4 . 1 1 126 126 ASP CA C 138 56.776 56.776 56.887 -0.111 17614 4053 1 4 . 1 1 126 126 ASP CB C 138 41.023 41.023 40.621 0.402 17614 4054 1 4 . 1 1 126 126 ASP H H 138 8.094 8.094 7.798 0.296 17614 4055 1 4 . 1 1 127 127 VAL N N 139 119.931 119.931 117.390 2.541 17614 4056 1 4 . 1 1 127 127 VAL C C 139 177.502 177.502 177.685 -0.183 17614 4057 1 4 . 1 1 127 127 VAL CA C 139 66.455 66.455 65.866 0.589 17614 4058 1 4 . 1 1 127 127 VAL CB C 139 32.804 32.804 31.055 1.748 17614 4059 1 4 . 1 1 127 127 VAL H H 139 7.753 7.753 7.500 0.253 17614 4060 1 4 . 1 1 128 128 VAL N N 140 120.539 120.539 120.890 -0.351 17614 4061 1 4 . 1 1 128 128 VAL C C 140 176.232 176.232 178.257 -2.025 17614 4062 1 4 . 1 1 128 128 VAL CA C 140 66.770 66.770 67.080 -0.310 17614 4063 1 4 . 1 1 128 128 VAL CB C 140 32.086 32.086 31.076 1.010 17614 4064 1 4 . 1 1 128 128 VAL H H 140 8.295 8.295 7.800 0.495 17614 4065 1 4 . 1 1 129 129 LYS N N 141 120.122 120.122 120.001 0.121 17614 4066 1 4 . 1 1 129 129 LYS C C 141 176.120 176.120 179.165 -3.045 17614 4067 1 4 . 1 1 129 129 LYS CA C 141 55.991 55.991 60.037 -4.046 17614 4068 1 4 . 1 1 129 129 LYS CB C 141 31.712 31.712 32.254 -0.542 17614 4069 1 4 . 1 1 129 129 LYS H H 141 7.698 7.698 7.534 0.164 17614 4070 1 4 . 1 1 130 130 VAL N N 142 120.104 120.104 120.128 -0.024 17614 4071 1 4 . 1 1 130 130 VAL CA C 142 63.230 63.230 65.769 -2.539 17614 4072 1 4 . 1 1 130 130 VAL H H 142 7.772 7.772 7.506 0.266 17614 4073 1 4 . 1 1 131 131 ARG C C 143 178.401 178.401 178.848 -0.447 17614 4074 1 4 . 1 1 131 131 ARG H H 143 7.999 7.999 8.022 -0.023 17614 4075 1 4 . 1 1 132 132 PHE N N 144 120.445 120.445 119.465 0.980 17614 4076 1 4 . 1 1 132 132 PHE C C 144 177.856 177.856 176.525 1.331 17614 4077 1 4 . 1 1 132 132 PHE CA C 144 61.438 61.438 61.087 0.350 17614 4078 1 4 . 1 1 132 132 PHE H H 144 8.395 8.395 8.562 -0.167 17614 4079 1 4 . 1 1 133 133 GLN N N 145 124.180 124.180 118.230 5.950 17614 4080 1 4 . 1 1 133 133 GLN C C 145 174.844 174.844 177.356 -2.512 17614 4081 1 4 . 1 1 133 133 GLN CA C 145 56.414 56.414 58.058 -1.644 17614 4082 1 4 . 1 1 133 133 GLN CB C 145 30.721 30.721 29.442 1.279 17614 4083 1 4 . 1 1 133 133 GLN H H 145 8.094 8.094 7.895 0.199 17614 4084 1 4 . 1 1 134 134 ALA N N 146 120.452 120.452 121.245 -0.793 17614 4085 1 4 . 1 1 134 134 ALA C C 146 177.929 177.929 177.804 0.125 17614 4086 1 4 . 1 1 134 134 ALA CA C 146 53.483 53.483 53.346 0.137 17614 4087 1 4 . 1 1 134 134 ALA CB C 146 18.431 18.431 19.122 -0.691 17614 4088 1 4 . 1 1 134 134 ALA H H 146 7.939 7.939 7.461 0.478 17614 4089 1 4 . 1 1 135 135 GLN N N 147 119.388 119.388 118.854 0.534 17614 4090 1 4 . 1 1 135 135 GLN C C 147 176.029 176.029 174.897 1.132 17614 4091 1 4 . 1 1 135 135 GLN CA C 147 56.339 56.339 56.045 0.294 17614 4092 1 4 . 1 1 135 135 GLN CB C 147 29.444 29.444 28.119 1.325 17614 4093 1 4 . 1 1 135 135 GLN H H 147 8.072 8.072 7.558 0.514 17614 4094 1 4 . 1 1 136 136 ALA N N 148 125.199 125.199 127.288 -2.089 17614 4095 1 4 . 1 1 136 136 ALA C C 148 177.766 177.766 176.985 0.781 17614 4096 1 4 . 1 1 136 136 ALA CA C 148 53.108 53.108 51.462 1.646 17614 4097 1 4 . 1 1 136 136 ALA CB C 148 19.151 19.151 20.388 -1.237 17614 4098 1 4 . 1 1 136 136 ALA H H 148 8.055 8.055 8.017 0.038 17614 4099 1 4 . 1 1 137 137 ARG N N 149 120.208 120.208 118.160 2.048 17614 4100 1 4 . 1 1 137 137 ARG CA C 149 56.414 56.414 55.985 0.429 17614 4101 1 4 . 1 1 137 137 ARG CB C 149 30.749 30.749 29.338 1.411 17614 4102 1 4 . 1 1 137 137 ARG H H 149 8.018 8.018 8.319 -0.301 17614 4103 1 4 . 1 1 147 147 THR C C 159 175.928 175.928 176.536 -0.608 17614 4104 1 4 . 1 1 148 148 VAL N N 160 118.321 118.321 121.128 -2.807 17614 4105 1 4 . 1 1 148 148 VAL C C 160 177.749 177.749 177.893 -0.144 17614 4106 1 4 . 1 1 148 148 VAL CA C 160 64.126 64.126 66.380 -2.254 17614 4107 1 4 . 1 1 148 148 VAL CB C 160 31.343 31.343 31.299 0.044 17614 4108 1 4 . 1 1 148 148 VAL H H 160 8.073 8.073 8.318 -0.245 17614 4109 1 4 . 1 1 149 149 GLU N N 161 122.379 122.379 119.810 2.569 17614 4110 1 4 . 1 1 149 149 GLU C C 161 178.783 178.783 178.242 0.541 17614 4111 1 4 . 1 1 149 149 GLU CA C 161 59.550 59.550 59.016 0.534 17614 4112 1 4 . 1 1 149 149 GLU CB C 161 29.597 29.597 28.799 0.798 17614 4113 1 4 . 1 1 149 149 GLU H H 161 8.204 8.204 8.299 -0.095 17614 4114 1 4 . 1 1 150 150 ALA N N 162 122.845 122.845 123.841 -0.996 17614 4115 1 4 . 1 1 150 150 ALA C C 162 179.948 179.948 179.542 0.406 17614 4116 1 4 . 1 1 150 150 ALA CA C 162 55.181 55.181 54.949 0.232 17614 4117 1 4 . 1 1 150 150 ALA CB C 162 18.154 18.154 18.750 -0.596 17614 4118 1 4 . 1 1 150 150 ALA H H 162 7.786 7.786 8.400 -0.614 17614 4119 1 4 . 1 1 151 151 TYR N N 163 118.902 118.902 119.460 -0.558 17614 4120 1 4 . 1 1 151 151 TYR C C 163 177.273 177.273 177.631 -0.358 17614 4121 1 4 . 1 1 151 151 TYR CA C 163 61.068 61.068 60.737 0.331 17614 4122 1 4 . 1 1 151 151 TYR CB C 163 37.898 37.898 37.997 -0.099 17614 4123 1 4 . 1 1 151 151 TYR H H 163 7.922 7.922 8.005 -0.083 17614 4124 1 4 . 1 1 152 152 LYS N N 164 119.939 119.939 118.991 0.948 17614 4125 1 4 . 1 1 152 152 LYS C C 164 178.239 178.239 178.727 -0.488 17614 4126 1 4 . 1 1 152 152 LYS CA C 164 60.309 60.309 58.398 1.911 17614 4127 1 4 . 1 1 152 152 LYS CB C 164 32.504 32.504 31.919 0.585 17614 4128 1 4 . 1 1 152 152 LYS H H 164 8.223 8.223 6.949 1.274 17614 4129 1 4 . 1 1 153 153 THR N N 165 115.262 115.262 113.392 1.870 17614 4130 1 4 . 1 1 153 153 THR C C 165 175.676 175.676 176.631 -0.955 17614 4131 1 4 . 1 1 153 153 THR CA C 165 66.516 66.516 65.903 0.613 17614 4132 1 4 . 1 1 153 153 THR CB C 165 69.367 69.367 68.683 0.684 17614 4133 1 4 . 1 1 153 153 THR H H 165 7.745 7.745 7.855 -0.110 17614 4134 1 4 . 1 1 154 154 ILE N N 166 121.571 121.571 121.567 0.004 17614 4135 1 4 . 1 1 154 154 ILE C C 166 177.307 177.307 176.523 0.784 17614 4136 1 4 . 1 1 154 154 ILE CA C 166 64.634 64.634 63.918 0.716 17614 4137 1 4 . 1 1 154 154 ILE CB C 166 38.896 38.896 37.924 0.972 17614 4138 1 4 . 1 1 154 154 ILE H H 166 7.540 7.540 7.361 0.179 17614 4139 1 4 . 1 1 155 155 ALA N N 167 121.983 121.983 122.646 -0.663 17614 4140 1 4 . 1 1 155 155 ALA C C 167 178.395 178.395 179.971 -1.576 17614 4141 1 4 . 1 1 155 155 ALA CA C 167 54.656 54.656 54.806 -0.150 17614 4142 1 4 . 1 1 155 155 ALA CB C 167 18.486 18.486 18.053 0.433 17614 4143 1 4 . 1 1 155 155 ALA H H 167 8.059 8.059 7.788 0.271 17614 4144 1 4 . 1 1 156 156 ARG N N 168 116.369 116.369 119.196 -2.827 17614 4145 1 4 . 1 1 156 156 ARG C C 168 177.307 177.307 178.423 -1.116 17614 4146 1 4 . 1 1 156 156 ARG CA C 168 58.486 58.486 58.816 -0.331 17614 4147 1 4 . 1 1 156 156 ARG CB C 168 30.930 30.930 30.123 0.807 17614 4148 1 4 . 1 1 156 156 ARG H H 168 7.690 7.690 7.830 -0.140 17614 4149 1 4 . 1 1 157 157 GLU N N 169 118.667 118.667 117.558 1.109 17614 4150 1 4 . 1 1 157 157 GLU C C 169 177.696 177.696 178.470 -0.774 17614 4151 1 4 . 1 1 157 157 GLU CA C 169 58.212 58.212 58.277 -0.065 17614 4152 1 4 . 1 1 157 157 GLU CB C 169 30.357 30.357 29.823 0.534 17614 4153 1 4 . 1 1 157 157 GLU H H 169 8.045 8.045 7.762 0.283 17614 4154 1 4 . 1 1 158 158 GLU N N 170 118.202 118.202 118.024 0.178 17614 4155 1 4 . 1 1 158 158 GLU C C 170 177.878 177.878 177.149 0.729 17614 4156 1 4 . 1 1 158 158 GLU CA C 170 57.363 57.363 57.122 0.241 17614 4157 1 4 . 1 1 158 158 GLU CB C 170 31.277 31.277 31.172 0.105 17614 4158 1 4 . 1 1 158 158 GLU H H 170 8.550 8.550 8.386 0.164 17614 4159 1 4 . 1 1 159 159 GLY N N 171 108.941 108.941 107.170 1.771 17614 4160 1 4 . 1 1 159 159 GLY C C 171 174.433 174.433 174.676 -0.243 17614 4161 1 4 . 1 1 159 159 GLY CA C 171 45.193 45.193 44.614 0.580 17614 4162 1 4 . 1 1 159 159 GLY H H 171 7.881 7.881 7.729 0.152 17614 4163 1 4 . 1 1 160 160 ILE N N 172 120.842 120.842 116.475 4.367 17614 4164 1 4 . 1 1 160 160 ILE C C 172 176.997 176.997 177.272 -0.275 17614 4165 1 4 . 1 1 160 160 ILE CA C 172 63.810 63.810 63.931 -0.121 17614 4166 1 4 . 1 1 160 160 ILE CB C 172 38.516 38.516 37.657 0.859 17614 4167 1 4 . 1 1 160 160 ILE H H 172 8.550 8.550 8.315 0.235 17614 4168 1 4 . 1 1 161 161 ARG N N 173 119.480 119.480 121.561 -2.081 17614 4169 1 4 . 1 1 161 161 ARG C C 173 178.084 178.084 178.576 -0.492 17614 4170 1 4 . 1 1 161 161 ARG CA C 173 58.711 58.711 58.959 -0.248 17614 4171 1 4 . 1 1 161 161 ARG CB C 173 29.796 29.796 29.596 0.200 17614 4172 1 4 . 1 1 161 161 ARG H H 173 8.277 8.277 8.365 -0.088 17614 4173 1 4 . 1 1 162 162 GLY N N 174 106.379 106.379 106.262 0.117 17614 4174 1 4 . 1 1 162 162 GLY C C 174 175.210 175.210 176.017 -0.807 17614 4175 1 4 . 1 1 162 162 GLY CA C 174 46.767 46.767 46.521 0.246 17614 4176 1 4 . 1 1 162 162 GLY H H 174 7.690 7.690 7.899 -0.209 17614 4177 1 4 . 1 1 163 163 LEU N N 175 120.664 120.664 121.241 -0.577 17614 4178 1 4 . 1 1 163 163 LEU C C 175 177.971 177.971 178.206 -0.235 17614 4179 1 4 . 1 1 163 163 LEU CA C 175 57.104 57.104 57.137 -0.033 17614 4180 1 4 . 1 1 163 163 LEU CB C 175 42.559 42.559 42.674 -0.115 17614 4181 1 4 . 1 1 163 163 LEU H H 175 7.554 7.554 7.278 0.276 17614 4182 1 4 . 1 1 164 164 TRP N N 176 117.031 117.031 116.978 0.053 17614 4183 1 4 . 1 1 164 164 TRP C C 176 176.987 176.987 178.065 -1.078 17614 4184 1 4 . 1 1 164 164 TRP CA C 176 57.672 57.672 56.734 0.938 17614 4185 1 4 . 1 1 164 164 TRP CB C 176 29.796 29.796 28.121 1.675 17614 4186 1 4 . 1 1 164 164 TRP H H 176 7.499 7.499 8.214 -0.715 17614 4187 1 4 . 1 1 165 165 LYS N N 177 120.567 120.567 119.681 0.886 17614 4188 1 4 . 1 1 165 165 LYS C C 177 177.152 177.152 177.967 -0.815 17614 4189 1 4 . 1 1 165 165 LYS CA C 177 57.712 57.712 60.188 -2.476 17614 4190 1 4 . 1 1 165 165 LYS CB C 177 32.890 32.890 32.142 0.748 17614 4191 1 4 . 1 1 165 165 LYS H H 177 7.595 7.595 7.483 0.112 17614 4192 1 4 . 1 1 166 166 GLY N N 178 108.667 108.667 103.277 5.390 17614 4193 1 4 . 1 1 166 166 GLY C C 178 174.045 174.045 175.769 -1.724 17614 4194 1 4 . 1 1 166 166 GLY CA C 178 45.893 45.893 45.865 0.028 17614 4195 1 4 . 1 1 166 166 GLY H H 178 7.881 7.881 8.010 -0.129 17614 4196 1 4 . 1 1 167 167 THR N N 179 115.080 115.080 119.254 -4.174 17614 4197 1 4 . 1 1 167 167 THR C C 179 175.192 175.192 176.649 -1.457 17614 4198 1 4 . 1 1 167 167 THR CA C 179 66.521 66.521 67.372 -0.851 17614 4199 1 4 . 1 1 167 167 THR CB C 179 70.079 70.079 68.108 1.971 17614 4200 1 4 . 1 1 167 167 THR H H 179 7.622 7.622 7.813 -0.191 17614 4201 1 4 . 1 1 168 168 SER N N 180 117.754 117.754 115.916 1.838 17614 4202 1 4 . 1 1 168 168 SER CA C 180 63.123 63.123 63.706 -0.583 17614 4203 1 4 . 1 1 168 168 SER CB C 180 62.045 62.045 62.036 0.009 17614 4204 1 4 . 1 1 168 168 SER H H 180 8.195 8.195 7.804 0.391 17614 4205 1 4 . 1 1 170 170 ASN C C 182 177.348 177.348 177.064 0.284 17614 4206 1 4 . 1 1 171 171 VAL N N 183 118.118 118.118 120.404 -2.286 17614 4207 1 4 . 1 1 171 171 VAL C C 183 176.944 176.944 176.513 0.431 17614 4208 1 4 . 1 1 171 171 VAL CA C 183 65.244 65.244 65.998 -0.754 17614 4209 1 4 . 1 1 171 171 VAL CB C 183 32.508 32.508 31.837 0.671 17614 4210 1 4 . 1 1 171 171 VAL H H 183 7.861 7.861 7.586 0.275 17614 4211 1 4 . 1 1 172 172 ALA N N 184 122.284 122.284 121.325 0.959 17614 4212 1 4 . 1 1 172 172 ALA C C 184 178.317 178.317 179.300 -0.983 17614 4213 1 4 . 1 1 172 172 ALA CA C 184 55.339 55.339 55.151 0.188 17614 4214 1 4 . 1 1 172 172 ALA CB C 184 28.230 28.230 18.130 10.100 17614 4215 1 4 . 1 1 172 172 ALA H H 184 8.097 8.097 7.501 0.596 17614 4216 1 4 . 1 1 173 173 ARG N N 185 117.321 117.321 119.443 -2.122 17614 4217 1 4 . 1 1 173 173 ARG C C 185 177.527 177.527 178.106 -0.579 17614 4218 1 4 . 1 1 173 173 ARG CA C 185 59.543 59.543 59.528 0.015 17614 4219 1 4 . 1 1 173 173 ARG CB C 185 29.767 29.767 30.081 -0.314 17614 4220 1 4 . 1 1 173 173 ARG H H 185 7.611 7.611 7.766 -0.155 17614 4221 1 4 . 1 1 174 174 ASN N N 186 117.294 117.294 117.769 -0.475 17614 4222 1 4 . 1 1 174 174 ASN C C 186 176.599 176.599 177.261 -0.662 17614 4223 1 4 . 1 1 174 174 ASN CA C 186 56.659 56.659 56.278 0.381 17614 4224 1 4 . 1 1 174 174 ASN CB C 186 39.454 39.454 38.382 1.072 17614 4225 1 4 . 1 1 174 174 ASN H H 186 8.048 8.048 7.671 0.377 17614 4226 1 4 . 1 1 175 175 ALA N N 187 121.003 121.003 122.841 -1.838 17614 4227 1 4 . 1 1 175 175 ALA C C 187 178.713 178.713 179.710 -0.997 17614 4228 1 4 . 1 1 175 175 ALA CA C 187 55.520 55.520 54.901 0.619 17614 4229 1 4 . 1 1 175 175 ALA CB C 187 18.097 18.097 18.686 -0.589 17614 4230 1 4 . 1 1 175 175 ALA H H 187 7.322 7.322 7.497 -0.175 17614 4231 1 4 . 1 1 176 176 ILE N N 188 119.319 119.319 119.325 -0.006 17614 4232 1 4 . 1 1 176 176 ILE C C 188 176.634 176.634 178.077 -1.443 17614 4233 1 4 . 1 1 176 176 ILE CA C 188 64.225 64.225 65.263 -1.038 17614 4234 1 4 . 1 1 176 176 ILE CB C 188 37.658 37.658 38.019 -0.361 17614 4235 1 4 . 1 1 176 176 ILE H H 188 7.779 7.779 8.175 -0.396 17614 4236 1 4 . 1 1 177 177 VAL N N 189 117.265 117.265 117.746 -0.481 17614 4237 1 4 . 1 1 177 177 VAL C C 189 177.529 177.529 177.523 0.006 17614 4238 1 4 . 1 1 177 177 VAL CA C 189 65.562 65.562 67.023 -1.461 17614 4239 1 4 . 1 1 177 177 VAL CB C 189 31.407 31.407 30.879 0.528 17614 4240 1 4 . 1 1 177 177 VAL H H 189 7.776 7.776 7.803 -0.027 17614 4241 1 4 . 1 1 178 178 ASN N N 190 118.736 118.736 119.351 -0.615 17614 4242 1 4 . 1 1 178 178 ASN C C 190 176.476 176.476 177.049 -0.573 17614 4243 1 4 . 1 1 178 178 ASN CA C 190 56.813 56.813 56.527 0.286 17614 4244 1 4 . 1 1 178 178 ASN CB C 190 38.268 38.268 38.756 -0.488 17614 4245 1 4 . 1 1 178 178 ASN H H 190 7.800 7.800 7.625 0.175 17614 4246 1 4 . 1 1 179 179 CYS N N 191 120.152 120.152 119.182 0.970 17614 4247 1 4 . 1 1 179 179 CYS C C 191 175.831 175.831 176.576 -0.745 17614 4248 1 4 . 1 1 179 179 CYS CA C 191 60.293 60.293 61.554 -1.261 17614 4249 1 4 . 1 1 179 179 CYS CB C 191 41.566 41.566 26.646 14.920 17614 4250 1 4 . 1 1 179 179 CYS H H 191 7.784 7.784 8.009 -0.225 17614 4251 1 4 . 1 1 180 180 ALA N N 192 121.963 121.963 123.086 -1.123 17614 4252 1 4 . 1 1 180 180 ALA C C 192 178.395 178.395 179.300 -0.905 17614 4253 1 4 . 1 1 180 180 ALA CA C 192 55.280 55.280 55.026 0.253 17614 4254 1 4 . 1 1 180 180 ALA CB C 192 18.008 18.008 17.940 0.068 17614 4255 1 4 . 1 1 180 180 ALA H H 192 8.141 8.141 8.547 -0.406 17614 4256 1 4 . 1 1 181 181 GLU N N 193 114.548 114.548 119.604 -5.056 17614 4257 1 4 . 1 1 181 181 GLU C C 193 176.764 176.764 178.826 -2.062 17614 4258 1 4 . 1 1 181 181 GLU CA C 193 58.262 58.262 58.937 -0.675 17614 4259 1 4 . 1 1 181 181 GLU CB C 193 29.342 29.342 29.270 0.072 17614 4260 1 4 . 1 1 181 181 GLU H H 193 7.595 7.595 8.307 -0.712 17614 4261 1 4 . 1 1 182 182 LEU N N 194 117.659 117.659 118.697 -1.038 17614 4262 1 4 . 1 1 182 182 LEU C C 194 176.904 176.904 178.950 -2.046 17614 4263 1 4 . 1 1 182 182 LEU CA C 194 55.695 55.695 57.734 -2.039 17614 4264 1 4 . 1 1 182 182 LEU CB C 194 41.655 41.655 41.727 -0.072 17614 4265 1 4 . 1 1 182 182 LEU H H 194 7.459 7.459 7.901 -0.442 17614 4266 1 4 . 1 1 183 183 VAL N N 195 117.842 117.842 119.698 -1.856 17614 4267 1 4 . 1 1 183 183 VAL C C 195 177.150 177.150 177.744 -0.594 17614 4268 1 4 . 1 1 183 183 VAL CA C 195 64.054 64.054 65.937 -1.883 17614 4269 1 4 . 1 1 183 183 VAL CB C 195 31.079 31.079 31.849 -0.770 17614 4270 1 4 . 1 1 183 183 VAL H H 195 7.363 7.363 7.400 -0.037 17614 4271 1 4 . 1 1 184 184 THR N N 196 122.439 122.439 115.633 6.806 17614 4272 1 4 . 1 1 184 184 THR C C 196 175.055 175.055 176.262 -1.207 17614 4273 1 4 . 1 1 184 184 THR CA C 196 65.500 65.500 65.854 -0.354 17614 4274 1 4 . 1 1 184 184 THR CB C 196 69.490 69.490 68.925 0.565 17614 4275 1 4 . 1 1 184 184 THR H H 196 7.940 7.940 7.561 0.379 17614 4276 1 4 . 1 1 185 185 TYR N N 197 122.430 122.430 121.944 0.486 17614 4277 1 4 . 1 1 185 185 TYR C C 197 177.152 177.152 177.177 -0.025 17614 4278 1 4 . 1 1 185 185 TYR CA C 197 61.892 61.892 61.973 -0.081 17614 4279 1 4 . 1 1 185 185 TYR CB C 197 38.085 38.085 38.284 -0.199 17614 4280 1 4 . 1 1 185 185 TYR H H 197 9.123 9.123 8.379 0.744 17614 4281 1 4 . 1 1 186 186 ASP N N 198 117.750 117.750 119.249 -1.499 17614 4282 1 4 . 1 1 186 186 ASP C C 198 177.696 177.696 178.624 -0.928 17614 4283 1 4 . 1 1 186 186 ASP CA C 198 57.822 57.822 57.755 0.067 17614 4284 1 4 . 1 1 186 186 ASP CB C 198 40.500 40.500 40.062 0.438 17614 4285 1 4 . 1 1 186 186 ASP H H 198 8.263 8.263 7.892 0.371 17614 4286 1 4 . 1 1 187 187 LEU N N 199 120.698 120.698 119.235 1.463 17614 4287 1 4 . 1 1 187 187 LEU C C 199 180.104 180.104 179.083 1.021 17614 4288 1 4 . 1 1 187 187 LEU CA C 199 58.092 58.092 57.419 0.673 17614 4289 1 4 . 1 1 187 187 LEU CB C 199 42.559 42.559 41.739 0.820 17614 4290 1 4 . 1 1 187 187 LEU H H 199 7.636 7.636 7.334 0.302 17614 4291 1 4 . 1 1 188 188 ILE N N 200 121.136 121.136 118.377 2.759 17614 4292 1 4 . 1 1 188 188 ILE C C 200 176.919 176.919 177.458 -0.539 17614 4293 1 4 . 1 1 188 188 ILE CA C 200 65.482 65.482 63.013 2.469 17614 4294 1 4 . 1 1 188 188 ILE CB C 200 37.949 37.949 36.534 1.415 17614 4295 1 4 . 1 1 188 188 ILE H H 200 7.718 7.718 7.428 0.290 17614 4296 1 4 . 1 1 189 189 LYS N N 201 120.587 120.587 118.014 2.573 17614 4297 1 4 . 1 1 189 189 LYS C C 201 177.696 177.696 178.806 -1.110 17614 4298 1 4 . 1 1 189 189 LYS CA C 201 60.683 60.683 59.077 1.606 17614 4299 1 4 . 1 1 189 189 LYS CB C 201 31.809 31.809 32.334 -0.524 17614 4300 1 4 . 1 1 189 189 LYS H H 201 8.291 8.291 7.722 0.569 17614 4301 1 4 . 1 1 190 190 ASP N N 202 117.936 117.936 117.250 0.686 17614 4302 1 4 . 1 1 190 190 ASP C C 202 178.395 178.395 176.746 1.649 17614 4303 1 4 . 1 1 190 190 ASP CA C 202 57.672 57.672 56.176 1.496 17614 4304 1 4 . 1 1 190 190 ASP CB C 202 41.355 41.355 41.189 0.166 17614 4305 1 4 . 1 1 190 190 ASP H H 202 8.182 8.182 7.749 0.433 17614 4306 1 4 . 1 1 191 191 THR N N 203 115.914 115.914 114.453 1.461 17614 4307 1 4 . 1 1 191 191 THR CA C 203 61.190 61.190 61.804 -0.614 17614 4308 1 4 . 1 1 191 191 THR CB C 203 68.738 68.738 69.334 -0.596 17614 4309 1 4 . 1 1 191 191 THR H H 203 7.690 7.690 7.673 0.017 17614 4310 1 4 . 1 1 192 192 LEU C C 204 176.047 176.047 175.390 0.657 17614 4311 1 4 . 1 1 192 192 LEU H H 204 8.051 8.051 8.724 -0.673 17614 4312 1 4 . 1 1 193 193 LEU N N 205 118.768 118.768 120.499 -1.731 17614 4313 1 4 . 1 1 193 193 LEU C C 205 179.871 179.871 175.124 4.747 17614 4314 1 4 . 1 1 193 193 LEU CA C 205 55.867 55.867 54.027 1.840 17614 4315 1 4 . 1 1 193 193 LEU CB C 205 41.887 41.887 42.866 -0.979 17614 4316 1 4 . 1 1 193 193 LEU H H 205 7.977 7.977 7.553 0.424 17614 4317 1 4 . 1 1 194 194 LYS N N 206 119.775 119.775 122.805 -3.030 17614 4318 1 4 . 1 1 194 194 LYS C C 206 177.318 177.318 175.936 1.382 17614 4319 1 4 . 1 1 194 194 LYS CA C 206 58.461 58.461 55.836 2.625 17614 4320 1 4 . 1 1 194 194 LYS CB C 206 32.734 32.734 31.882 0.852 17614 4321 1 4 . 1 1 194 194 LYS H H 206 7.677 7.677 8.577 -0.900 17614 4322 1 4 . 1 1 195 195 ALA N N 207 120.757 120.757 120.507 0.250 17614 4323 1 4 . 1 1 195 195 ALA C C 207 176.531 176.531 176.200 0.331 17614 4324 1 4 . 1 1 195 195 ALA CA C 207 53.083 53.083 52.245 0.838 17614 4325 1 4 . 1 1 195 195 ALA CB C 207 18.960 18.960 17.353 1.607 17614 4326 1 4 . 1 1 195 195 ALA H H 207 7.565 7.565 8.208 -0.643 17614 4327 1 4 . 1 1 196 196 ASN N N 208 115.463 115.463 115.857 -0.394 17614 4328 1 4 . 1 1 196 196 ASN C C 208 174.822 174.822 173.230 1.592 17614 4329 1 4 . 1 1 196 196 ASN CA C 208 54.351 54.351 53.608 0.743 17614 4330 1 4 . 1 1 196 196 ASN CB C 208 38.160 38.160 37.966 0.194 17614 4331 1 4 . 1 1 196 196 ASN H H 208 7.936 7.936 8.209 -0.273 17614 4332 1 4 . 1 1 200 200 ASP C C 212 174.735 174.735 175.490 -0.755 17614 4333 1 4 . 1 1 201 201 ASP N N 213 116.363 116.363 118.105 -1.742 17614 4334 1 4 . 1 1 201 201 ASP C C 213 175.553 175.553 176.794 -1.241 17614 4335 1 4 . 1 1 201 201 ASP CA C 213 54.890 54.890 54.846 0.044 17614 4336 1 4 . 1 1 201 201 ASP CB C 213 38.846 38.846 39.152 -0.306 17614 4337 1 4 . 1 1 201 201 ASP H H 213 8.129 8.129 8.549 -0.420 17614 4338 1 4 . 1 1 202 202 LEU N N 214 119.486 119.486 118.899 0.587 17614 4339 1 4 . 1 1 202 202 LEU CA C 214 59.766 59.766 58.441 1.325 17614 4340 1 4 . 1 1 202 202 LEU CB C 214 39.579 39.579 39.954 -0.375 17614 4341 1 4 . 1 1 202 202 LEU H H 214 7.821 7.821 8.251 -0.430 17614 4342 1 4 . 1 1 203 203 PRO C C 215 177.971 177.971 178.822 -0.851 17614 4343 1 4 . 1 1 203 203 PRO CA C 215 65.938 65.938 66.340 -0.402 17614 4344 1 4 . 1 1 203 203 PRO CB C 215 30.006 30.006 30.912 -0.906 17614 4345 1 4 . 1 1 204 204 CYS N N 216 114.211 114.211 115.039 -0.828 17614 4346 1 4 . 1 1 204 204 CYS C C 216 176.142 176.142 177.022 -0.880 17614 4347 1 4 . 1 1 204 204 CYS CA C 216 58.773 58.773 63.100 -4.327 17614 4348 1 4 . 1 1 204 204 CYS CB C 216 40.906 40.906 27.660 13.246 17614 4349 1 4 . 1 1 204 204 CYS H H 216 8.269 8.269 8.258 0.011 17614 4350 1 4 . 1 1 205 205 HIS N N 217 120.491 120.491 120.272 0.219 17614 4351 1 4 . 1 1 205 205 HIS C C 217 176.747 176.747 176.786 -0.039 17614 4352 1 4 . 1 1 205 205 HIS CA C 217 57.198 57.198 58.408 -1.210 17614 4353 1 4 . 1 1 205 205 HIS CB C 217 29.886 29.886 29.067 0.819 17614 4354 1 4 . 1 1 205 205 HIS H H 217 7.301 7.301 7.648 -0.347 17614 4355 1 4 . 1 1 206 206 PHE N N 218 120.501 120.501 118.271 2.230 17614 4356 1 4 . 1 1 206 206 PHE C C 218 176.187 176.187 177.592 -1.405 17614 4357 1 4 . 1 1 206 206 PHE CA C 218 59.045 59.045 62.016 -2.971 17614 4358 1 4 . 1 1 206 206 PHE CB C 218 38.901 38.901 38.511 0.390 17614 4359 1 4 . 1 1 206 206 PHE H H 218 8.127 8.127 7.874 0.253 17614 4360 1 4 . 1 1 207 207 THR N N 219 112.682 112.682 112.643 0.039 17614 4361 1 4 . 1 1 207 207 THR C C 219 175.997 175.997 177.150 -1.153 17614 4362 1 4 . 1 1 207 207 THR CA C 219 64.319 64.319 66.598 -2.279 17614 4363 1 4 . 1 1 207 207 THR CB C 219 63.282 63.282 68.403 -5.121 17614 4364 1 4 . 1 1 207 207 THR H H 219 7.977 7.977 7.933 0.044 17614 4365 1 4 . 1 1 208 208 SER N N 220 117.589 117.589 118.301 -0.712 17614 4366 1 4 . 1 1 208 208 SER C C 220 175.055 175.055 176.606 -1.551 17614 4367 1 4 . 1 1 208 208 SER CA C 220 61.344 61.344 61.667 -0.323 17614 4368 1 4 . 1 1 208 208 SER CB C 220 63.440 63.440 63.041 0.399 17614 4369 1 4 . 1 1 208 208 SER H H 220 8.004 8.004 7.712 0.292 17614 4370 1 4 . 1 1 209 209 ALA N N 221 123.860 123.860 124.790 -0.930 17614 4371 1 4 . 1 1 209 209 ALA C C 221 177.618 177.618 179.133 -1.515 17614 4372 1 4 . 1 1 209 209 ALA CA C 221 53.932 53.932 55.074 -1.142 17614 4373 1 4 . 1 1 209 209 ALA CB C 221 18.891 18.891 18.372 0.519 17614 4374 1 4 . 1 1 209 209 ALA H H 221 7.704 7.704 7.892 -0.188 17614 4375 1 4 . 1 1 210 210 PHE N N 222 116.073 116.073 120.100 -4.027 17614 4376 1 4 . 1 1 210 210 PHE C C 222 176.142 176.142 177.813 -1.671 17614 4377 1 4 . 1 1 210 210 PHE CA C 222 58.271 58.271 60.802 -2.531 17614 4378 1 4 . 1 1 210 210 PHE CB C 222 39.554 39.554 39.164 0.390 17614 4379 1 4 . 1 1 210 210 PHE H H 222 7.718 7.718 8.430 -0.712 17614 4380 1 4 . 1 1 211 211 GLY N N 223 108.578 108.578 106.585 1.993 17614 4381 1 4 . 1 1 211 211 GLY C C 223 173.889 173.889 175.493 -1.604 17614 4382 1 4 . 1 1 211 211 GLY CA C 223 45.993 45.993 47.100 -1.107 17614 4383 1 4 . 1 1 211 211 GLY H H 223 7.909 7.909 8.294 -0.385 17614 4384 1 4 . 1 1 212 212 ALA N N 224 123.322 123.322 125.193 -1.871 17614 4385 1 4 . 1 1 212 212 ALA C C 224 178.550 178.550 179.787 -1.237 17614 4386 1 4 . 1 1 212 212 ALA CA C 224 53.608 53.608 54.530 -0.922 17614 4387 1 4 . 1 1 212 212 ALA CB C 224 19.069 19.069 18.474 0.595 17614 4388 1 4 . 1 1 212 212 ALA H H 224 8.018 8.018 8.067 -0.049 17614 4389 1 4 . 1 1 213 213 GLY N N 225 107.935 107.935 107.660 0.275 17614 4390 1 4 . 1 1 213 213 GLY C C 225 175.389 175.389 175.578 -0.189 17614 4391 1 4 . 1 1 213 213 GLY CA C 225 46.967 46.967 46.862 0.104 17614 4392 1 4 . 1 1 213 213 GLY H H 225 8.304 8.304 8.682 -0.378 17614 4393 1 4 . 1 1 214 214 PHE N N 226 122.440 122.440 123.056 -0.616 17614 4394 1 4 . 1 1 214 214 PHE C C 226 176.998 176.998 177.341 -0.343 17614 4395 1 4 . 1 1 214 214 PHE CA C 226 60.673 60.673 60.507 0.166 17614 4396 1 4 . 1 1 214 214 PHE CB C 226 38.319 38.319 39.459 -1.140 17614 4397 1 4 . 1 1 214 214 PHE H H 226 8.045 8.045 7.966 0.079 17614 4398 1 4 . 1 1 215 215 CYS N N 227 116.562 116.562 117.029 -0.467 17614 4399 1 4 . 1 1 215 215 CYS CA C 227 61.301 61.301 62.363 -1.062 17614 4400 1 4 . 1 1 215 215 CYS CB C 227 41.286 41.286 27.677 13.609 17614 4401 1 4 . 1 1 215 215 CYS H H 227 8.016 8.016 7.976 0.040 17614 4402 1 4 . 1 1 216 216 THR C C 228 176.437 176.437 176.192 0.245 17614 4403 1 4 . 1 1 216 216 THR H H 228 8.410 8.410 8.673 -0.263 17614 4404 1 4 . 1 1 217 217 THR N N 229 115.234 115.234 117.243 -2.009 17614 4405 1 4 . 1 1 217 217 THR C C 229 176.749 176.749 176.183 0.566 17614 4406 1 4 . 1 1 217 217 THR CA C 229 65.980 65.980 66.170 -0.190 17614 4407 1 4 . 1 1 217 217 THR CB C 229 67.443 67.443 67.681 -0.239 17614 4408 1 4 . 1 1 217 217 THR H H 229 8.188 8.188 8.230 -0.042 17614 4409 1 4 . 1 1 218 218 VAL N N 230 120.723 120.723 121.068 -0.345 17614 4410 1 4 . 1 1 218 218 VAL C C 230 177.983 177.983 177.401 0.582 17614 4411 1 4 . 1 1 218 218 VAL CA C 230 66.832 66.832 65.969 0.863 17614 4412 1 4 . 1 1 218 218 VAL CB C 230 31.168 31.168 31.365 -0.197 17614 4413 1 4 . 1 1 218 218 VAL H H 230 8.027 8.027 7.072 0.955 17614 4414 1 4 . 1 1 219 219 ILE N N 231 120.541 120.541 117.943 2.598 17614 4415 1 4 . 1 1 219 219 ILE C C 231 177.368 177.368 177.792 -0.424 17614 4416 1 4 . 1 1 219 219 ILE CA C 231 65.575 65.575 64.373 1.202 17614 4417 1 4 . 1 1 219 219 ILE CB C 231 37.722 37.722 37.762 -0.040 17614 4418 1 4 . 1 1 219 219 ILE H H 231 8.458 8.458 7.019 1.439 17614 4419 1 4 . 1 1 220 220 ALA N N 232 122.766 122.766 121.384 1.382 17614 4420 1 4 . 1 1 220 220 ALA C C 232 178.847 178.847 179.398 -0.551 17614 4421 1 4 . 1 1 220 220 ALA CA C 232 55.252 55.252 54.938 0.314 17614 4422 1 4 . 1 1 220 220 ALA CB C 232 17.874 17.874 18.194 -0.320 17614 4423 1 4 . 1 1 220 220 ALA H H 232 8.589 8.589 8.427 0.162 17614 4424 1 4 . 1 1 221 221 SER N N 233 113.387 113.387 114.340 -0.953 17614 4425 1 4 . 1 1 221 221 SER CA C 233 62.348 62.348 62.940 -0.592 17614 4426 1 4 . 1 1 221 221 SER CB C 233 61.630 61.630 61.525 0.105 17614 4427 1 4 . 1 1 221 221 SER H H 233 8.218 8.218 8.399 -0.181 17614 4428 1 4 . 1 1 222 222 PRO C C 234 178.221 178.221 178.850 -0.629 17614 4429 1 4 . 1 1 223 223 VAL N N 235 116.087 116.087 117.465 -1.378 17614 4430 1 4 . 1 1 223 223 VAL C C 235 177.089 177.089 177.320 -0.231 17614 4431 1 4 . 1 1 223 223 VAL CA C 235 65.072 65.072 65.611 -0.539 17614 4432 1 4 . 1 1 223 223 VAL CB C 235 31.084 31.084 31.642 -0.558 17614 4433 1 4 . 1 1 223 223 VAL H H 235 8.142 8.142 7.454 0.688 17614 4434 1 4 . 1 1 224 224 ASP N N 236 121.556 121.556 120.129 1.427 17614 4435 1 4 . 1 1 224 224 ASP C C 236 177.422 177.422 178.375 -0.953 17614 4436 1 4 . 1 1 224 224 ASP CA C 236 57.135 57.135 57.333 -0.198 17614 4437 1 4 . 1 1 224 224 ASP CB C 236 40.065 40.065 40.754 -0.689 17614 4438 1 4 . 1 1 224 224 ASP H H 236 7.932 7.932 7.521 0.411 17614 4439 1 4 . 1 1 225 225 VAL N N 237 117.233 117.233 120.569 -3.336 17614 4440 1 4 . 1 1 225 225 VAL CA C 237 64.977 64.977 66.041 -1.064 17614 4441 1 4 . 1 1 225 225 VAL CB C 237 31.013 31.013 31.720 -0.707 17614 4442 1 4 . 1 1 225 225 VAL H H 237 7.710 7.710 8.043 -0.333 17614 4443 1 4 . 1 1 226 226 VAL C C 238 177.584 177.584 177.110 0.474 17614 4444 1 4 . 1 1 226 226 VAL H H 238 7.607 7.607 7.432 0.175 17614 4445 1 4 . 1 1 227 227 LYS N N 239 120.095 120.095 119.503 0.592 17614 4446 1 4 . 1 1 227 227 LYS C C 239 178.678 178.678 178.526 0.152 17614 4447 1 4 . 1 1 227 227 LYS CA C 239 58.483 58.483 59.179 -0.696 17614 4448 1 4 . 1 1 227 227 LYS CB C 239 31.863 31.863 32.682 -0.819 17614 4449 1 4 . 1 1 227 227 LYS H H 239 7.761 7.761 7.666 0.095 17614 4450 1 4 . 1 1 228 228 THR N N 240 115.247 115.247 113.092 2.155 17614 4451 1 4 . 1 1 228 228 THR C C 240 175.093 175.093 175.550 -0.457 17614 4452 1 4 . 1 1 228 228 THR CA C 240 66.458 66.458 64.702 1.756 17614 4453 1 4 . 1 1 228 228 THR CB C 240 68.011 68.011 69.066 -1.055 17614 4454 1 4 . 1 1 228 228 THR H H 240 7.761 7.761 7.791 -0.030 17614 4455 1 4 . 1 1 229 229 ARG N N 241 119.633 119.633 122.067 -2.434 17614 4456 1 4 . 1 1 229 229 ARG CA C 241 57.133 57.133 57.647 -0.514 17614 4457 1 4 . 1 1 229 229 ARG CB C 241 31.218 31.218 30.357 0.861 17614 4458 1 4 . 1 1 229 229 ARG H H 241 7.383 7.383 7.638 -0.255 17614 4459 1 4 . 1 1 230 230 TYR C C 242 174.956 174.956 174.193 0.763 17614 4460 1 4 . 1 1 230 230 TYR H H 242 8.699 8.699 8.169 0.530 17614 4461 1 4 . 1 1 231 231 MET N N 243 118.458 118.458 122.751 -4.293 17614 4462 1 4 . 1 1 231 231 MET C C 243 175.676 175.676 173.616 2.060 17614 4463 1 4 . 1 1 231 231 MET CA C 243 54.417 54.417 56.008 -1.591 17614 4464 1 4 . 1 1 231 231 MET H H 243 7.442 7.442 6.426 1.016 17614 4465 1 4 . 1 1 232 232 ASN N N 244 116.369 116.369 121.666 -5.297 17614 4466 1 4 . 1 1 232 232 ASN C C 244 174.919 174.919 173.354 1.565 17614 4467 1 4 . 1 1 232 232 ASN CA C 244 59.470 59.470 52.950 6.520 17614 4468 1 4 . 1 1 232 232 ASN CB C 244 39.079 39.079 39.779 -0.700 17614 4469 1 4 . 1 1 232 232 ASN H H 244 7.772 7.772 7.993 -0.221 17614 4470 1 4 . 1 1 233 233 SER N N 245 114.568 114.568 117.181 -2.613 17614 4471 1 4 . 1 1 233 233 SER C C 245 175.695 175.695 172.911 2.784 17614 4472 1 4 . 1 1 233 233 SER CA C 245 53.852 53.852 58.480 -4.628 17614 4473 1 4 . 1 1 233 233 SER CB C 245 61.232 61.232 63.456 -2.224 17614 4474 1 4 . 1 1 233 233 SER H H 245 8.475 8.475 8.438 0.037 17614 4475 1 4 . 1 1 234 234 ALA N N 246 127.283 127.283 122.969 4.314 17614 4476 1 4 . 1 1 234 234 ALA C C 246 177.128 177.128 176.423 0.705 17614 4477 1 4 . 1 1 234 234 ALA CA C 246 56.803 56.803 52.608 4.195 17614 4478 1 4 . 1 1 234 234 ALA CB C 246 18.901 18.901 18.675 0.226 17614 4479 1 4 . 1 1 234 234 ALA H H 246 7.929 7.929 8.398 -0.469 17614 4480 1 4 . 1 1 235 235 LEU N N 247 118.112 118.112 121.438 -3.326 17614 4481 1 4 . 1 1 235 235 LEU C C 247 176.723 176.723 177.524 -0.801 17614 4482 1 4 . 1 1 235 235 LEU CA C 247 54.156 54.156 55.104 -0.948 17614 4483 1 4 . 1 1 235 235 LEU CB C 247 41.215 41.215 42.473 -1.258 17614 4484 1 4 . 1 1 235 235 LEU H H 247 7.922 7.922 8.412 -0.490 17614 4485 1 4 . 1 1 236 236 GLY N N 248 107.203 107.203 104.435 2.768 17614 4486 1 4 . 1 1 236 236 GLY CA C 248 44.558 44.558 45.014 -0.456 17614 4487 1 4 . 1 1 236 236 GLY H H 248 8.318 8.318 7.948 0.370 17614 4488 1 4 . 1 1 238 238 TYR C C 250 175.942 175.942 174.283 1.659 17614 4489 1 4 . 1 1 238 238 TYR H H 250 8.134 8.134 8.335 -0.201 17614 4490 1 4 . 1 1 239 239 HIS N N 251 123.281 123.281 122.273 1.008 17614 4491 1 4 . 1 1 239 239 HIS C C 251 174.531 174.531 174.721 -0.190 17614 4492 1 4 . 1 1 239 239 HIS CA C 251 58.931 58.931 57.533 1.397 17614 4493 1 4 . 1 1 239 239 HIS CB C 251 29.525 29.525 30.702 -1.177 17614 4494 1 4 . 1 1 239 239 HIS H H 251 8.184 8.184 8.395 -0.211 17614 4495 1 4 . 1 1 240 240 SER N N 252 110.038 110.038 110.898 -0.860 17614 4496 1 4 . 1 1 240 240 SER C C 252 174.429 174.429 173.972 0.457 17614 4497 1 4 . 1 1 240 240 SER CA C 252 57.452 57.452 57.523 -0.071 17614 4498 1 4 . 1 1 240 240 SER CB C 252 65.022 65.022 65.328 -0.306 17614 4499 1 4 . 1 1 240 240 SER H H 252 8.010 8.010 7.729 0.281 17614 4500 1 4 . 1 1 241 241 ALA N N 253 123.034 123.034 124.451 -1.417 17614 4501 1 4 . 1 1 241 241 ALA C C 253 179.249 179.249 179.977 -0.728 17614 4502 1 4 . 1 1 241 241 ALA CA C 253 54.981 54.981 54.985 -0.004 17614 4503 1 4 . 1 1 241 241 ALA CB C 253 19.069 19.069 18.639 0.430 17614 4504 1 4 . 1 1 241 241 ALA H H 253 8.034 8.034 8.719 -0.685 17614 4505 1 4 . 1 1 242 242 GLY N N 254 106.379 106.379 106.225 0.154 17614 4506 1 4 . 1 1 242 242 GLY C C 254 174.433 174.433 175.652 -1.219 17614 4507 1 4 . 1 1 242 242 GLY CA C 254 47.615 47.615 47.054 0.561 17614 4508 1 4 . 1 1 242 242 GLY H H 254 8.427 8.427 8.789 -0.362 17614 4509 1 4 . 1 1 243 243 HIS N N 255 121.119 121.119 121.418 -0.299 17614 4510 1 4 . 1 1 243 243 HIS C C 255 178.084 178.084 177.531 0.553 17614 4511 1 4 . 1 1 243 243 HIS CA C 255 60.144 60.144 59.295 0.848 17614 4512 1 4 . 1 1 243 243 HIS CB C 255 33.073 33.073 29.880 3.193 17614 4513 1 4 . 1 1 243 243 HIS H H 255 8.304 8.304 7.683 0.621 17614 4514 1 4 . 1 1 244 244 CYS N N 256 117.946 117.946 118.120 -0.174 17614 4515 1 4 . 1 1 244 244 CYS C C 256 175.453 175.453 176.774 -1.321 17614 4516 1 4 . 1 1 244 244 CYS CA C 256 58.668 58.668 62.655 -3.987 17614 4517 1 4 . 1 1 244 244 CYS CB C 256 41.434 41.434 26.880 14.554 17614 4518 1 4 . 1 1 244 244 CYS H H 256 8.168 8.168 8.099 0.069 17614 4519 1 4 . 1 1 245 245 ALA N N 257 123.138 123.138 122.679 0.459 17614 4520 1 4 . 1 1 245 245 ALA C C 257 179.489 179.489 179.828 -0.339 17614 4521 1 4 . 1 1 245 245 ALA CA C 257 54.589 54.589 55.016 -0.427 17614 4522 1 4 . 1 1 245 245 ALA CB C 257 17.675 17.675 18.529 -0.854 17614 4523 1 4 . 1 1 245 245 ALA H H 257 7.932 7.932 7.449 0.483 17614 4524 1 4 . 1 1 246 246 LEU N N 258 119.779 119.779 117.906 1.873 17614 4525 1 4 . 1 1 246 246 LEU C C 258 178.234 178.234 179.494 -1.260 17614 4526 1 4 . 1 1 246 246 LEU CA C 258 56.967 56.967 57.864 -0.897 17614 4527 1 4 . 1 1 246 246 LEU CB C 258 41.067 41.067 40.888 0.179 17614 4528 1 4 . 1 1 246 246 LEU H H 258 7.681 7.681 7.817 -0.136 17614 4529 1 4 . 1 1 247 247 THR N N 259 114.552 114.552 113.680 0.872 17614 4530 1 4 . 1 1 247 247 THR C C 259 176.244 176.244 176.871 -0.627 17614 4531 1 4 . 1 1 247 247 THR CA C 259 66.511 66.511 66.010 0.501 17614 4532 1 4 . 1 1 247 247 THR CB C 259 67.274 67.274 68.629 -1.355 17614 4533 1 4 . 1 1 247 247 THR H H 259 7.855 7.855 7.979 -0.124 17614 4534 1 4 . 1 1 248 248 MET N N 260 118.862 118.862 119.841 -0.979 17614 4535 1 4 . 1 1 248 248 MET C C 260 177.094 177.094 177.586 -0.492 17614 4536 1 4 . 1 1 248 248 MET CA C 260 58.532 58.532 58.751 -0.219 17614 4537 1 4 . 1 1 248 248 MET CB C 260 32.288 32.288 32.146 0.142 17614 4538 1 4 . 1 1 248 248 MET H H 260 8.296 8.296 8.253 0.043 17614 4539 1 4 . 1 1 249 249 LEU N N 261 116.839 116.839 118.991 -2.152 17614 4540 1 4 . 1 1 249 249 LEU C C 261 178.162 178.162 179.389 -1.227 17614 4541 1 4 . 1 1 249 249 LEU CA C 261 58.167 58.167 57.175 0.992 17614 4542 1 4 . 1 1 249 249 LEU CB C 261 42.202 42.202 41.608 0.594 17614 4543 1 4 . 1 1 249 249 LEU H H 261 8.053 8.053 7.552 0.501 17614 4544 1 4 . 1 1 250 250 ARG N N 262 116.821 116.821 117.811 -0.990 17614 4545 1 4 . 1 1 250 250 ARG CA C 262 58.761 58.761 58.472 0.289 17614 4546 1 4 . 1 1 250 250 ARG CB C 262 30.825 30.825 30.556 0.269 17614 4547 1 4 . 1 1 250 250 ARG H H 262 7.827 7.827 7.609 0.218 17614 4548 1 4 . 1 1 254 254 PRO C C 266 177.152 177.152 178.553 -1.401 17614 4549 1 4 . 1 1 254 254 PRO CA C 266 65.152 65.152 64.215 0.937 17614 4550 1 4 . 1 1 255 255 ARG N N 267 117.739 117.739 119.395 -1.656 17614 4551 1 4 . 1 1 255 255 ARG C C 267 177.463 177.463 177.668 -0.205 17614 4552 1 4 . 1 1 255 255 ARG CA C 267 59.335 59.335 59.001 0.334 17614 4553 1 4 . 1 1 255 255 ARG CB C 267 30.185 30.185 29.436 0.749 17614 4554 1 4 . 1 1 255 255 ARG H H 267 8.072 8.072 8.039 0.033 17614 4555 1 4 . 1 1 256 256 ALA N N 268 121.709 121.709 121.792 -0.083 17614 4556 1 4 . 1 1 256 256 ALA C C 268 179.251 179.251 178.344 0.907 17614 4557 1 4 . 1 1 256 256 ALA CA C 268 54.631 54.631 54.658 -0.027 17614 4558 1 4 . 1 1 256 256 ALA CB C 268 18.683 18.683 18.267 0.416 17614 4559 1 4 . 1 1 256 256 ALA H H 268 7.963 7.963 7.573 0.390 17614 4560 1 4 . 1 1 257 257 PHE N N 269 117.096 117.096 116.392 0.704 17614 4561 1 4 . 1 1 257 257 PHE C C 269 175.987 175.987 177.798 -1.811 17614 4562 1 4 . 1 1 257 257 PHE CA C 269 61.037 61.037 61.017 0.020 17614 4563 1 4 . 1 1 257 257 PHE CB C 269 38.637 38.637 38.965 -0.328 17614 4564 1 4 . 1 1 257 257 PHE H H 269 7.832 7.832 7.575 0.257 17614 4565 1 4 . 1 1 258 258 TYR N N 270 118.496 118.496 119.106 -0.610 17614 4566 1 4 . 1 1 258 258 TYR C C 270 176.250 176.250 176.307 -0.057 17614 4567 1 4 . 1 1 258 258 TYR CA C 270 60.116 60.116 59.842 0.274 17614 4568 1 4 . 1 1 258 258 TYR CB C 270 38.882 38.882 38.995 -0.113 17614 4569 1 4 . 1 1 258 258 TYR H H 270 7.813 7.813 7.676 0.137 17614 4570 1 4 . 1 1 259 259 LYS N N 271 119.458 119.458 119.674 -0.216 17614 4571 1 4 . 1 1 259 259 LYS C C 271 177.696 177.696 175.945 1.751 17614 4572 1 4 . 1 1 259 259 LYS CA C 271 57.192 57.192 56.510 0.682 17614 4573 1 4 . 1 1 259 259 LYS CB C 271 32.734 32.734 33.839 -1.105 17614 4574 1 4 . 1 1 259 259 LYS H H 271 7.864 7.864 7.958 -0.094 17614 4575 1 4 . 1 1 260 260 GLY N N 272 106.217 106.217 107.796 -1.579 17614 4576 1 4 . 1 1 260 260 GLY C C 272 173.967 173.967 173.086 0.881 17614 4577 1 4 . 1 1 260 260 GLY CA C 272 46.117 46.117 45.334 0.783 17614 4578 1 4 . 1 1 260 260 GLY H H 272 7.622 7.622 8.156 -0.534 17614 4579 1 4 . 1 1 261 261 PHE N N 273 118.847 118.847 116.443 2.404 17614 4580 1 4 . 1 1 261 261 PHE C C 273 175.055 175.055 174.977 0.078 17614 4581 1 4 . 1 1 261 261 PHE CA C 273 57.721 57.721 57.174 0.547 17614 4582 1 4 . 1 1 261 261 PHE CB C 273 40.183 40.183 38.459 1.724 17614 4583 1 4 . 1 1 261 261 PHE H H 273 7.677 7.677 7.489 0.188 17614 4584 1 4 . 1 1 265 265 PHE C C 277 176.602 176.602 176.846 -0.244 17614 4585 1 4 . 1 1 265 265 PHE CA C 277 61.838 61.838 61.432 0.406 17614 4586 1 4 . 1 1 265 265 PHE CB C 277 39.537 39.537 39.386 0.151 17614 4587 1 4 . 1 1 265 265 PHE H H 277 7.695 7.695 8.322 -0.627 17614 4588 1 4 . 1 1 266 266 LEU N N 278 118.465 118.465 119.691 -1.226 17614 4589 1 4 . 1 1 266 266 LEU C C 278 177.152 177.152 179.024 -1.872 17614 4590 1 4 . 1 1 266 266 LEU CA C 278 56.115 56.115 57.768 -1.653 17614 4591 1 4 . 1 1 266 266 LEU CB C 278 42.398 42.398 41.096 1.302 17614 4592 1 4 . 1 1 266 266 LEU H H 278 8.104 8.104 7.794 0.310 17614 4593 1 4 . 1 1 267 267 ARG N N 279 118.749 118.749 118.534 0.215 17614 4594 1 4 . 1 1 267 267 ARG C C 279 176.608 176.608 179.065 -2.457 17614 4595 1 4 . 1 1 267 267 ARG CA C 279 56.938 56.938 58.538 -1.600 17614 4596 1 4 . 1 1 267 267 ARG CB C 279 30.659 30.659 29.530 1.129 17614 4597 1 4 . 1 1 267 267 ARG H H 279 7.472 7.472 7.856 -0.384 17614 4598 1 4 . 1 1 268 268 LEU N N 280 120.305 120.305 119.816 0.489 17614 4599 1 4 . 1 1 268 268 LEU C C 280 177.540 177.540 179.208 -1.668 17614 4600 1 4 . 1 1 268 268 LEU CA C 280 57.094 57.094 57.829 -0.735 17614 4601 1 4 . 1 1 268 268 LEU CB C 280 42.027 42.027 40.595 1.432 17614 4602 1 4 . 1 1 268 268 LEU H H 280 7.690 7.690 8.451 -0.761 17614 4603 1 4 . 1 1 269 269 GLY N N 281 106.837 106.837 106.532 0.305 17614 4604 1 4 . 1 1 269 269 GLY C C 281 174.045 174.045 176.313 -2.268 17614 4605 1 4 . 1 1 269 269 GLY CA C 281 46.967 46.967 47.272 -0.305 17614 4606 1 4 . 1 1 269 269 GLY H H 281 7.881 7.881 7.761 0.120 17614 4607 1 4 . 1 1 270 270 SER N N 282 115.531 115.531 118.231 -2.700 17614 4608 1 4 . 1 1 270 270 SER C C 282 174.123 174.123 176.489 -2.366 17614 4609 1 4 . 1 1 270 270 SER CA C 282 58.796 58.796 61.406 -2.610 17614 4610 1 4 . 1 1 270 270 SER CB C 282 58.975 58.975 62.976 -4.001 17614 4611 1 4 . 1 1 270 270 SER H H 282 7.813 7.813 7.557 0.256 17614 4612 1 4 . 1 1 271 271 TRP N N 283 122.851 122.851 124.684 -1.833 17614 4613 1 4 . 1 1 271 271 TRP C C 283 176.142 176.142 177.689 -1.547 17614 4614 1 4 . 1 1 271 271 TRP CA C 283 59.221 59.221 61.763 -2.542 17614 4615 1 4 . 1 1 271 271 TRP CB C 283 30.446 30.446 29.587 0.859 17614 4616 1 4 . 1 1 271 271 TRP H H 283 8.186 8.186 8.584 -0.398 17614 4617 1 4 . 1 1 272 272 ASN N N 284 118.459 118.459 117.107 1.352 17614 4618 1 4 . 1 1 272 272 ASN CA C 284 55.325 55.325 56.319 -0.994 17614 4619 1 4 . 1 1 272 272 ASN CB C 284 39.504 39.504 38.374 1.130 17614 4620 1 4 . 1 1 272 272 ASN H H 284 8.127 8.127 8.135 -0.008 17614 4621 1 4 . 1 1 273 273 VAL C C 285 177.263 177.263 178.001 -0.738 17614 4622 1 4 . 1 1 273 273 VAL H H 285 7.854 7.854 7.430 0.424 17614 4623 1 4 . 1 1 274 274 VAL N N 286 119.883 119.883 117.956 1.927 17614 4624 1 4 . 1 1 274 274 VAL C C 286 177.072 177.072 177.556 -0.484 17614 4625 1 4 . 1 1 274 274 VAL CA C 286 64.717 64.717 66.695 -1.978 17614 4626 1 4 . 1 1 274 274 VAL CB C 286 29.553 29.553 31.067 -1.514 17614 4627 1 4 . 1 1 274 274 VAL H H 286 7.483 7.483 7.067 0.416 17614 4628 1 4 . 1 1 275 275 MET N N 287 120.401 120.401 119.233 1.168 17614 4629 1 4 . 1 1 275 275 MET C C 287 177.594 177.594 178.162 -0.568 17614 4630 1 4 . 1 1 275 275 MET CA C 287 57.654 57.654 58.870 -1.216 17614 4631 1 4 . 1 1 275 275 MET CB C 287 31.592 31.592 32.279 -0.688 17614 4632 1 4 . 1 1 275 275 MET H H 287 8.118 8.118 7.034 1.084 17614 4633 1 4 . 1 1 276 276 PHE N N 288 122.234 122.234 119.798 2.436 17614 4634 1 4 . 1 1 276 276 PHE C C 288 176.498 176.498 178.013 -1.515 17614 4635 1 4 . 1 1 276 276 PHE CA C 288 61.766 61.766 62.414 -0.648 17614 4636 1 4 . 1 1 276 276 PHE CB C 288 39.031 39.031 38.831 0.200 17614 4637 1 4 . 1 1 276 276 PHE H H 288 7.878 7.878 7.804 0.074 17614 4638 1 4 . 1 1 277 277 VAL N N 289 118.907 118.907 118.316 0.591 17614 4639 1 4 . 1 1 277 277 VAL CA C 289 64.566 64.566 67.062 -2.496 17614 4640 1 4 . 1 1 277 277 VAL CB C 289 30.544 30.544 31.572 -1.028 17614 4641 1 4 . 1 1 277 277 VAL H H 289 7.913 7.913 7.670 0.243 17614 4642 1 4 . 1 1 278 278 THR C C 290 175.376 175.376 176.512 -1.136 17614 4643 1 4 . 1 1 278 278 THR H H 290 8.095 8.095 7.657 0.438 17614 4644 1 4 . 1 1 279 279 TYR N N 291 118.029 118.029 120.780 -2.751 17614 4645 1 4 . 1 1 279 279 TYR C C 291 176.919 176.919 177.861 -0.942 17614 4646 1 4 . 1 1 279 279 TYR CA C 291 61.717 61.717 61.872 -0.155 17614 4647 1 4 . 1 1 279 279 TYR CB C 291 38.020 38.020 38.190 -0.170 17614 4648 1 4 . 1 1 279 279 TYR H H 291 7.986 7.986 7.667 0.319 17614 4649 1 4 . 1 1 280 280 GLU N N 292 118.005 118.005 119.173 -1.168 17614 4650 1 4 . 1 1 280 280 GLU C C 292 176.686 176.686 179.111 -2.425 17614 4651 1 4 . 1 1 280 280 GLU CA C 292 60.084 60.084 59.775 0.309 17614 4652 1 4 . 1 1 280 280 GLU CB C 292 29.443 29.443 29.021 0.422 17614 4653 1 4 . 1 1 280 280 GLU H H 292 8.359 8.359 8.195 0.164 17614 4654 1 4 . 1 1 281 281 GLN N N 293 118.746 118.746 118.466 0.280 17614 4655 1 4 . 1 1 281 281 GLN C C 293 176.210 176.210 178.433 -2.223 17614 4656 1 4 . 1 1 281 281 GLN CA C 293 58.986 58.986 58.526 0.460 17614 4657 1 4 . 1 1 281 281 GLN CB C 293 28.784 28.784 28.405 0.379 17614 4658 1 4 . 1 1 281 281 GLN H H 293 7.704 7.704 7.505 0.199 17614 4659 1 4 . 1 1 282 282 LEU N N 294 120.970 120.970 118.525 2.445 17614 4660 1 4 . 1 1 282 282 LEU C C 294 178.084 178.084 178.309 -0.225 17614 4661 1 4 . 1 1 282 282 LEU CA C 294 58.741 58.741 56.763 1.978 17614 4662 1 4 . 1 1 282 282 LEU CB C 294 41.451 41.451 41.612 -0.161 17614 4663 1 4 . 1 1 282 282 LEU H H 294 7.995 7.995 7.454 0.541 17614 4664 1 4 . 1 1 283 283 LYS N N 295 117.756 117.756 117.851 -0.095 17614 4665 1 4 . 1 1 283 283 LYS CA C 295 59.048 59.048 58.331 0.717 17614 4666 1 4 . 1 1 283 283 LYS CB C 295 31.871 31.871 33.120 -1.249 17614 4667 1 4 . 1 1 283 283 LYS H H 295 7.731 7.731 7.958 -0.227 17614 4668 1 4 . 1 1 284 284 ARG H H 296 7.895 7.895 7.749 0.146 17614 4669 1 4 . 1 1 285 285 ALA C C 297 176.488 176.488 176.095 0.393 17614 4670 1 4 . 1 1 285 285 ALA H H 297 8.223 8.223 8.179 0.044 17614 4671 1 4 . 1 1 286 286 LEU N N 298 117.376 117.376 120.491 -3.115 17614 4672 1 4 . 1 1 286 286 LEU C C 298 178.628 178.628 177.224 1.404 17614 4673 1 4 . 1 1 286 286 LEU CA C 298 58.217 58.217 55.146 3.071 17614 4674 1 4 . 1 1 286 286 LEU CB C 298 41.905 41.905 42.386 -0.481 17614 4675 1 4 . 1 1 286 286 LEU H H 298 7.947 7.947 8.348 -0.401 17614 4676 1 4 . 1 1 287 287 MET N N 299 127.376 127.376 128.633 -1.257 17614 4677 1 4 . 1 1 287 287 MET C C 299 178.472 178.472 174.846 3.626 17614 4678 1 4 . 1 1 287 287 MET CA C 299 58.461 58.461 55.069 3.392 17614 4679 1 4 . 1 1 287 287 MET CB C 299 32.110 32.110 31.659 0.452 17614 4680 1 4 . 1 1 287 287 MET H H 299 8.182 8.182 8.842 -0.660 17614 4681 1 4 . 1 1 288 288 ALA N N 300 121.854 121.854 123.799 -1.945 17614 4682 1 4 . 1 1 288 288 ALA C C 300 180.197 180.197 176.035 4.162 17614 4683 1 4 . 1 1 288 288 ALA CA C 300 55.617 55.617 52.363 3.254 17614 4684 1 4 . 1 1 288 288 ALA CB C 300 18.215 18.215 19.885 -1.670 17614 4685 1 4 . 1 1 288 288 ALA H H 300 7.841 7.841 7.687 0.154 17614 4686 1 4 . 1 1 289 289 ALA N N 301 121.224 121.224 128.304 -7.080 17614 4687 1 4 . 1 1 289 289 ALA C C 301 178.939 178.939 178.153 0.786 17614 4688 1 4 . 1 1 289 289 ALA CA C 301 55.186 55.186 54.465 0.722 17614 4689 1 4 . 1 1 289 289 ALA CB C 301 18.735 18.735 18.962 -0.227 17614 4690 1 4 . 1 1 289 289 ALA H H 301 7.872 7.872 8.683 -0.811 17614 4691 1 4 . 1 1 290 290 TYR N N 302 118.183 118.183 119.912 -1.729 17614 4692 1 4 . 1 1 290 290 TYR C C 302 176.841 176.841 177.569 -0.728 17614 4693 1 4 . 1 1 290 290 TYR CA C 302 60.868 60.868 61.278 -0.410 17614 4694 1 4 . 1 1 290 290 TYR CB C 302 39.344 39.344 38.085 1.259 17614 4695 1 4 . 1 1 290 290 TYR H H 302 8.100 8.100 8.460 -0.360 17614 4696 1 4 . 1 1 291 291 GLN N N 303 117.243 117.243 118.794 -1.551 17614 4697 1 4 . 1 1 291 291 GLN C C 303 176.997 176.997 178.382 -1.385 17614 4698 1 4 . 1 1 291 291 GLN CA C 303 58.787 58.787 59.001 -0.214 17614 4699 1 4 . 1 1 291 291 GLN CB C 303 29.216 29.216 27.797 1.419 17614 4700 1 4 . 1 1 291 291 GLN H H 303 8.059 8.059 8.557 -0.498 17614 4701 1 4 . 1 1 292 292 SER N N 304 114.721 114.721 114.467 0.254 17614 4702 1 4 . 1 1 292 292 SER C C 304 174.511 174.511 176.038 -1.527 17614 4703 1 4 . 1 1 292 292 SER CA C 304 59.720 59.720 61.197 -1.478 17614 4704 1 4 . 1 1 292 292 SER CB C 304 63.896 63.896 63.013 0.883 17614 4705 1 4 . 1 1 292 292 SER H H 304 7.718 7.718 7.544 0.174 17614 4706 1 4 . 1 1 293 293 ARG N N 305 121.401 121.401 119.896 1.505 17614 4707 1 4 . 1 1 293 293 ARG C C 305 175.521 175.521 177.827 -2.306 17614 4708 1 4 . 1 1 293 293 ARG CA C 305 59.639 59.639 58.294 1.345 17614 4709 1 4 . 1 1 293 293 ARG CB C 305 30.568 30.568 30.099 0.469 17614 4710 1 4 . 1 1 293 293 ARG H H 305 7.609 7.609 7.871 -0.262 17614 4711 1 4 . 1 1 294 294 GLU N N 306 120.090 120.090 117.959 2.131 17614 4712 1 4 . 1 1 294 294 GLU C C 306 177.648 177.648 178.511 -0.863 17614 4713 1 4 . 1 1 294 294 GLU CA C 306 59.624 59.624 58.422 1.202 17614 4714 1 4 . 1 1 294 294 GLU CB C 306 30.362 30.362 29.465 0.897 17614 4715 1 4 . 1 1 294 294 GLU H H 306 7.909 7.909 7.691 0.218 17614 4716 1 4 . 1 1 295 295 ALA N N 307 121.234 121.234 123.758 -2.524 17614 4717 1 4 . 1 1 295 295 ALA C C 307 176.014 176.014 176.445 -0.431 17614 4718 1 4 . 1 1 295 295 ALA CA C 307 56.844 56.844 54.995 1.849 17614 4719 1 4 . 1 1 295 295 ALA CB C 307 17.735 17.735 16.668 1.067 17614 4720 1 4 . 1 1 295 295 ALA H H 307 7.760 7.760 7.511 0.249 17614 4721 1 5 . 1 1 3 3 VAL N N 15 123.095 123.095 123.569 -0.474 17614 4722 1 5 . 1 1 3 3 VAL C C 15 176.453 176.453 176.862 -0.409 17614 4723 1 5 . 1 1 3 3 VAL CA C 15 63.979 63.979 60.543 3.436 17614 4724 1 5 . 1 1 3 3 VAL CB C 15 32.507 32.507 34.189 -1.682 17614 4725 1 5 . 1 1 3 3 VAL H H 15 8.053 8.053 8.209 -0.156 17614 4726 1 5 . 1 1 4 4 LYS N N 16 123.075 123.075 121.888 1.187 17614 4727 1 5 . 1 1 4 4 LYS C C 16 176.841 176.841 179.176 -2.335 17614 4728 1 5 . 1 1 4 4 LYS CA C 16 59.762 59.762 59.795 -0.033 17614 4729 1 5 . 1 1 4 4 LYS CB C 16 32.751 32.751 31.964 0.787 17614 4730 1 5 . 1 1 4 4 LYS H H 16 8.059 8.059 8.773 -0.714 17614 4731 1 5 . 1 1 5 5 PHE N N 17 118.838 118.838 120.158 -1.320 17614 4732 1 5 . 1 1 5 5 PHE C C 17 175.443 175.443 177.411 -1.968 17614 4733 1 5 . 1 1 5 5 PHE CA C 17 59.915 59.915 60.695 -0.780 17614 4734 1 5 . 1 1 5 5 PHE CB C 17 39.659 39.659 38.898 0.761 17614 4735 1 5 . 1 1 5 5 PHE H H 17 7.909 7.909 8.087 -0.178 17614 4736 1 5 . 1 1 6 6 LEU N N 18 119.089 119.089 119.810 -0.721 17614 4737 1 5 . 1 1 6 6 LEU C C 18 177.195 177.195 178.460 -1.265 17614 4738 1 5 . 1 1 6 6 LEU CA C 18 55.385 55.385 56.558 -1.173 17614 4739 1 5 . 1 1 6 6 LEU CB C 18 42.905 42.905 41.453 1.452 17614 4740 1 5 . 1 1 6 6 LEU H H 18 7.814 7.814 8.026 -0.212 17614 4741 1 5 . 1 1 7 7 GLY N N 19 108.484 108.484 107.784 0.700 17614 4742 1 5 . 1 1 7 7 GLY C C 19 174.967 174.967 175.542 -0.575 17614 4743 1 5 . 1 1 7 7 GLY CA C 19 45.518 45.518 47.115 -1.597 17614 4744 1 5 . 1 1 7 7 GLY H H 19 8.032 8.032 8.418 -0.386 17614 4745 1 5 . 1 1 8 8 ALA N N 20 124.208 124.208 124.033 0.175 17614 4746 1 5 . 1 1 8 8 ALA C C 20 179.405 179.405 179.259 0.146 17614 4747 1 5 . 1 1 8 8 ALA CA C 20 54.531 54.531 54.364 0.167 17614 4748 1 5 . 1 1 8 8 ALA CB C 20 18.995 18.995 18.239 0.756 17614 4749 1 5 . 1 1 8 8 ALA H H 20 8.318 8.318 8.166 0.152 17614 4750 1 5 . 1 1 9 9 GLY N N 21 108.209 108.209 107.067 1.142 17614 4751 1 5 . 1 1 9 9 GLY C C 21 175.676 175.676 176.053 -0.377 17614 4752 1 5 . 1 1 9 9 GLY CA C 21 46.742 46.742 47.136 -0.394 17614 4753 1 5 . 1 1 9 9 GLY H H 21 8.523 8.523 8.062 0.461 17614 4754 1 5 . 1 1 10 10 THR N N 22 119.542 119.542 114.796 4.746 17614 4755 1 5 . 1 1 10 10 THR C C 22 175.661 175.661 176.235 -0.574 17614 4756 1 5 . 1 1 10 10 THR CA C 22 66.401 66.401 64.755 1.646 17614 4757 1 5 . 1 1 10 10 THR CB C 22 68.866 68.866 68.856 0.010 17614 4758 1 5 . 1 1 10 10 THR H H 22 7.881 7.881 8.223 -0.342 17614 4759 1 5 . 1 1 11 11 ALA N N 23 123.431 123.431 124.618 -1.187 17614 4760 1 5 . 1 1 11 11 ALA C C 23 178.628 178.628 178.919 -0.291 17614 4761 1 5 . 1 1 11 11 ALA CA C 23 55.480 55.480 54.955 0.525 17614 4762 1 5 . 1 1 11 11 ALA CB C 23 18.218 18.218 18.189 0.029 17614 4763 1 5 . 1 1 11 11 ALA H H 23 8.263 8.263 7.475 0.788 17614 4764 1 5 . 1 1 12 12 ALA N N 24 119.939 119.939 120.502 -0.563 17614 4765 1 5 . 1 1 12 12 ALA C C 24 179.172 179.172 179.080 0.092 17614 4766 1 5 . 1 1 12 12 ALA CA C 24 55.038 55.038 55.008 0.030 17614 4767 1 5 . 1 1 12 12 ALA CB C 24 18.385 18.385 18.122 0.263 17614 4768 1 5 . 1 1 12 12 ALA H H 24 7.827 7.827 8.284 -0.457 17614 4769 1 5 . 1 1 13 13 CYS N N 25 116.736 116.736 116.342 0.394 17614 4770 1 5 . 1 1 13 13 CYS C C 25 176.220 176.220 176.748 -0.528 17614 4771 1 5 . 1 1 13 13 CYS CA C 25 58.596 58.596 61.389 -2.793 17614 4772 1 5 . 1 1 13 13 CYS CB C 25 41.771 41.771 27.917 13.854 17614 4773 1 5 . 1 1 13 13 CYS H H 25 7.677 7.677 7.397 0.280 17614 4774 1 5 . 1 1 14 14 ILE N N 26 119.154 119.154 121.789 -2.635 17614 4775 1 5 . 1 1 14 14 ILE C C 26 176.915 176.915 176.743 0.172 17614 4776 1 5 . 1 1 14 14 ILE CA C 26 64.858 64.858 63.218 1.640 17614 4777 1 5 . 1 1 14 14 ILE CB C 26 38.090 38.090 38.139 -0.049 17614 4778 1 5 . 1 1 14 14 ILE H H 26 7.899 7.899 7.571 0.328 17614 4779 1 5 . 1 1 15 15 ALA N N 27 121.116 121.116 121.218 -0.102 17614 4780 1 5 . 1 1 15 15 ALA C C 27 179.016 179.016 178.772 0.244 17614 4781 1 5 . 1 1 15 15 ALA CA C 27 55.367 55.367 55.087 0.279 17614 4782 1 5 . 1 1 15 15 ALA CB C 27 18.385 18.385 18.561 -0.176 17614 4783 1 5 . 1 1 15 15 ALA H H 27 7.909 7.909 7.783 0.126 17614 4784 1 5 . 1 1 16 16 ASP N N 28 116.829 116.829 116.993 -0.164 17614 4785 1 5 . 1 1 16 16 ASP C C 28 177.643 177.643 178.197 -0.554 17614 4786 1 5 . 1 1 16 16 ASP CA C 28 56.453 56.453 56.157 0.296 17614 4787 1 5 . 1 1 16 16 ASP CB C 28 41.128 41.128 40.496 0.632 17614 4788 1 5 . 1 1 16 16 ASP H H 28 7.554 7.554 7.608 -0.054 17614 4789 1 5 . 1 1 17 17 LEU N N 29 119.672 119.672 121.383 -1.711 17614 4790 1 5 . 1 1 17 17 LEU C C 29 178.628 178.628 178.718 -0.090 17614 4791 1 5 . 1 1 17 17 LEU CA C 29 57.144 57.144 58.418 -1.274 17614 4792 1 5 . 1 1 17 17 LEU CB C 29 43.146 43.146 42.182 0.964 17614 4793 1 5 . 1 1 17 17 LEU H H 29 7.732 7.732 7.400 0.332 17614 4794 1 5 . 1 1 18 18 ILE N N 30 113.629 113.629 115.251 -1.622 17614 4795 1 5 . 1 1 18 18 ILE C C 30 176.456 176.456 176.349 0.107 17614 4796 1 5 . 1 1 18 18 ILE CA C 30 60.539 60.539 62.811 -2.272 17614 4797 1 5 . 1 1 18 18 ILE CB C 30 38.506 38.506 38.060 0.446 17614 4798 1 5 . 1 1 18 18 ILE H H 30 7.977 7.977 7.440 0.537 17614 4799 1 5 . 1 1 19 19 THR N N 31 113.314 113.314 114.164 -0.850 17614 4800 1 5 . 1 1 19 19 THR C C 31 174.045 174.045 175.095 -1.050 17614 4801 1 5 . 1 1 19 19 THR CA C 31 62.495 62.495 63.514 -1.018 17614 4802 1 5 . 1 1 19 19 THR CB C 31 69.898 69.898 70.008 -0.110 17614 4803 1 5 . 1 1 19 19 THR H H 31 7.738 7.738 7.253 0.485 17614 4804 1 5 . 1 1 20 20 PHE N N 32 123.409 123.409 123.645 -0.236 17614 4805 1 5 . 1 1 20 20 PHE CA C 32 56.349 56.349 62.107 -5.758 17614 4806 1 5 . 1 1 20 20 PHE CB C 32 39.148 39.148 37.565 1.583 17614 4807 1 5 . 1 1 20 20 PHE H H 32 7.609 7.609 8.619 -1.010 17614 4808 1 5 . 1 1 21 21 PRO C C 33 177.831 177.831 177.647 0.184 17614 4809 1 5 . 1 1 21 21 PRO CA C 33 62.656 62.656 64.717 -2.061 17614 4810 1 5 . 1 1 21 21 PRO CB C 33 34.762 34.762 30.983 3.779 17614 4811 1 5 . 1 1 22 22 LEU N N 34 124.503 124.503 118.319 6.184 17614 4812 1 5 . 1 1 22 22 LEU C C 34 176.298 176.298 178.736 -2.438 17614 4813 1 5 . 1 1 22 22 LEU CA C 34 55.545 55.545 57.389 -1.844 17614 4814 1 5 . 1 1 22 22 LEU CB C 34 43.287 43.287 41.466 1.821 17614 4815 1 5 . 1 1 22 22 LEU H H 34 8.659 8.659 7.114 1.545 17614 4816 1 5 . 1 1 23 23 ASP N N 35 121.663 121.663 119.022 2.641 17614 4817 1 5 . 1 1 23 23 ASP C C 35 177.152 177.152 177.971 -0.819 17614 4818 1 5 . 1 1 23 23 ASP CA C 35 54.326 54.326 57.286 -2.960 17614 4819 1 5 . 1 1 23 23 ASP CB C 35 41.154 41.154 40.809 0.345 17614 4820 1 5 . 1 1 23 23 ASP H H 35 8.236 8.236 7.604 0.632 17614 4821 1 5 . 1 1 24 24 THR N N 36 115.977 115.977 115.209 0.768 17614 4822 1 5 . 1 1 24 24 THR C C 36 177.088 177.088 176.062 1.026 17614 4823 1 5 . 1 1 24 24 THR CA C 36 64.868 64.868 66.637 -1.769 17614 4824 1 5 . 1 1 24 24 THR CB C 36 69.053 69.053 68.405 0.648 17614 4825 1 5 . 1 1 24 24 THR H H 36 8.127 8.127 7.651 0.476 17614 4826 1 5 . 1 1 25 25 ALA N N 37 125.063 125.063 122.719 2.344 17614 4827 1 5 . 1 1 25 25 ALA C C 37 179.143 179.143 179.056 0.087 17614 4828 1 5 . 1 1 25 25 ALA CA C 37 55.234 55.234 55.360 -0.126 17614 4829 1 5 . 1 1 25 25 ALA CB C 37 18.735 18.735 18.242 0.493 17614 4830 1 5 . 1 1 25 25 ALA H H 37 8.042 8.042 7.618 0.424 17614 4831 1 5 . 1 1 26 26 LYS N N 38 117.827 117.827 119.169 -1.342 17614 4832 1 5 . 1 1 26 26 LYS C C 38 178.239 178.239 178.341 -0.102 17614 4833 1 5 . 1 1 26 26 LYS CA C 38 58.861 58.861 58.977 -0.116 17614 4834 1 5 . 1 1 26 26 LYS CB C 38 32.724 32.724 31.860 0.864 17614 4835 1 5 . 1 1 26 26 LYS H H 38 7.759 7.759 7.417 0.342 17614 4836 1 5 . 1 1 27 27 VAL N N 39 118.955 118.955 118.963 -0.008 17614 4837 1 5 . 1 1 27 27 VAL C C 39 177.892 177.892 178.141 -0.249 17614 4838 1 5 . 1 1 27 27 VAL CA C 39 65.478 65.478 64.440 1.038 17614 4839 1 5 . 1 1 27 27 VAL CB C 39 34.675 34.675 31.901 2.774 17614 4840 1 5 . 1 1 27 27 VAL H H 39 7.554 7.554 7.494 0.060 17614 4841 1 5 . 1 1 28 28 ARG N N 40 119.922 119.922 117.770 2.152 17614 4842 1 5 . 1 1 28 28 ARG C C 40 178.391 178.391 178.695 -0.304 17614 4843 1 5 . 1 1 28 28 ARG CA C 40 59.648 59.648 58.032 1.616 17614 4844 1 5 . 1 1 28 28 ARG CB C 40 29.933 29.933 29.975 -0.042 17614 4845 1 5 . 1 1 28 28 ARG H H 40 7.794 7.794 7.549 0.245 17614 4846 1 5 . 1 1 29 29 LEU N N 41 118.720 118.720 121.702 -2.982 17614 4847 1 5 . 1 1 29 29 LEU CA C 41 54.749 54.749 54.745 0.004 17614 4848 1 5 . 1 1 29 29 LEU CB C 41 40.429 40.429 39.556 0.873 17614 4849 1 5 . 1 1 29 29 LEU H H 41 7.534 7.534 7.486 0.048 17614 4850 1 5 . 1 1 37 37 GLY C C 49 174.779 174.779 174.977 -0.198 17614 4851 1 5 . 1 1 38 38 LEU N N 50 123.029 123.029 122.128 0.901 17614 4852 1 5 . 1 1 38 38 LEU C C 50 178.482 178.482 177.810 0.672 17614 4853 1 5 . 1 1 38 38 LEU CA C 50 56.765 56.765 57.530 -0.765 17614 4854 1 5 . 1 1 38 38 LEU CB C 50 41.673 41.673 41.669 0.004 17614 4855 1 5 . 1 1 38 38 LEU H H 50 8.113 8.113 7.863 0.250 17614 4856 1 5 . 1 1 39 39 VAL N N 51 118.714 118.714 116.302 2.412 17614 4857 1 5 . 1 1 39 39 VAL C C 51 178.032 178.032 176.524 1.508 17614 4858 1 5 . 1 1 39 39 VAL CA C 51 66.037 66.037 65.347 0.690 17614 4859 1 5 . 1 1 39 39 VAL CB C 51 30.763 30.763 31.246 -0.483 17614 4860 1 5 . 1 1 39 39 VAL H H 51 7.974 7.974 7.937 0.037 17614 4861 1 5 . 1 1 40 40 ARG N N 52 121.569 121.569 117.317 4.252 17614 4862 1 5 . 1 1 40 40 ARG CA C 52 59.167 59.167 58.012 1.155 17614 4863 1 5 . 1 1 40 40 ARG CB C 52 29.437 29.437 29.409 0.028 17614 4864 1 5 . 1 1 40 40 ARG H H 52 8.231 8.231 8.087 0.144 17614 4865 1 5 . 1 1 41 41 THR C C 53 175.108 175.108 175.264 -0.156 17614 4866 1 5 . 1 1 41 41 THR H H 53 7.948 7.948 7.551 0.397 17614 4867 1 5 . 1 1 42 42 ALA N N 54 121.823 121.823 123.066 -1.243 17614 4868 1 5 . 1 1 42 42 ALA C C 54 174.922 174.922 176.358 -1.436 17614 4869 1 5 . 1 1 42 42 ALA CA C 54 50.101 50.101 51.783 -1.682 17614 4870 1 5 . 1 1 42 42 ALA CB C 54 18.950 18.950 19.966 -1.016 17614 4871 1 5 . 1 1 42 42 ALA H H 54 7.792 7.792 7.632 0.160 17614 4872 1 5 . 1 1 43 43 ALA N N 55 113.986 113.986 118.215 -4.229 17614 4873 1 5 . 1 1 43 43 ALA C C 55 178.007 178.007 177.098 0.909 17614 4874 1 5 . 1 1 43 43 ALA CA C 55 53.458 53.458 52.300 1.158 17614 4875 1 5 . 1 1 43 43 ALA CB C 55 18.809 18.809 19.569 -0.760 17614 4876 1 5 . 1 1 43 43 ALA H H 55 7.333 7.333 8.185 -0.852 17614 4877 1 5 . 1 1 44 44 SER N N 56 125.425 125.425 114.315 11.110 17614 4878 1 5 . 1 1 44 44 SER C C 56 174.899 174.899 173.923 0.976 17614 4879 1 5 . 1 1 44 44 SER CA C 56 59.520 59.520 56.899 2.621 17614 4880 1 5 . 1 1 44 44 SER CB C 56 64.051 64.051 63.961 0.090 17614 4881 1 5 . 1 1 44 44 SER H H 56 7.786 7.786 7.853 -0.067 17614 4882 1 5 . 1 1 45 45 ALA N N 57 118.183 118.183 121.393 -3.210 17614 4883 1 5 . 1 1 45 45 ALA CA C 57 53.783 53.783 52.815 0.968 17614 4884 1 5 . 1 1 45 45 ALA CB C 57 17.599 17.599 17.784 -0.185 17614 4885 1 5 . 1 1 45 45 ALA H H 57 8.018 8.018 8.172 -0.154 17614 4886 1 5 . 1 1 47 47 TYR C C 59 177.662 177.662 176.116 1.546 17614 4887 1 5 . 1 1 48 48 ARG N N 60 122.798 122.798 120.081 2.717 17614 4888 1 5 . 1 1 48 48 ARG C C 60 177.956 177.956 176.466 1.490 17614 4889 1 5 . 1 1 48 48 ARG CA C 60 58.711 58.711 57.230 1.481 17614 4890 1 5 . 1 1 48 48 ARG CB C 60 30.659 30.659 30.114 0.545 17614 4891 1 5 . 1 1 48 48 ARG H H 60 8.311 8.311 8.595 -0.284 17614 4892 1 5 . 1 1 49 49 GLY N N 61 109.033 109.033 109.342 -0.309 17614 4893 1 5 . 1 1 49 49 GLY C C 61 176.064 176.064 175.550 0.514 17614 4894 1 5 . 1 1 49 49 GLY CA C 61 46.592 46.592 44.908 1.684 17614 4895 1 5 . 1 1 49 49 GLY H H 61 8.182 8.182 8.164 0.018 17614 4896 1 5 . 1 1 50 50 VAL N N 62 123.218 123.218 126.202 -2.984 17614 4897 1 5 . 1 1 50 50 VAL C C 62 177.540 177.540 177.247 0.293 17614 4898 1 5 . 1 1 50 50 VAL CA C 62 66.277 66.277 64.641 1.636 17614 4899 1 5 . 1 1 50 50 VAL CB C 62 32.355 32.355 32.096 0.259 17614 4900 1 5 . 1 1 50 50 VAL H H 62 8.105 8.105 8.491 -0.386 17614 4901 1 5 . 1 1 51 51 LEU N N 63 120.295 120.295 119.344 0.951 17614 4902 1 5 . 1 1 51 51 LEU C C 63 178.628 178.628 179.402 -0.774 17614 4903 1 5 . 1 1 51 51 LEU CA C 63 58.366 58.366 57.749 0.617 17614 4904 1 5 . 1 1 51 51 LEU CB C 63 41.675 41.675 40.307 1.368 17614 4905 1 5 . 1 1 51 51 LEU H H 63 8.182 8.182 8.418 -0.236 17614 4906 1 5 . 1 1 52 52 GLY N N 64 106.013 106.013 106.381 -0.368 17614 4907 1 5 . 1 1 52 52 GLY C C 64 176.531 176.531 176.362 0.169 17614 4908 1 5 . 1 1 52 52 GLY CA C 64 47.765 47.765 47.204 0.561 17614 4909 1 5 . 1 1 52 52 GLY H H 64 8.102 8.102 7.851 0.251 17614 4910 1 5 . 1 1 53 53 THR N N 65 120.842 120.842 119.325 1.517 17614 4911 1 5 . 1 1 53 53 THR C C 65 176.453 176.453 176.635 -0.182 17614 4912 1 5 . 1 1 53 53 THR CA C 65 67.140 67.140 66.662 0.478 17614 4913 1 5 . 1 1 53 53 THR CB C 65 69.161 69.161 68.462 0.699 17614 4914 1 5 . 1 1 53 53 THR H H 65 7.854 7.854 7.448 0.406 17614 4915 1 5 . 1 1 54 54 ILE N N 66 122.676 122.676 121.023 1.653 17614 4916 1 5 . 1 1 54 54 ILE C C 66 177.307 177.307 177.754 -0.447 17614 4917 1 5 . 1 1 54 54 ILE CA C 66 65.832 65.832 64.965 0.868 17614 4918 1 5 . 1 1 54 54 ILE CB C 66 38.090 38.090 37.675 0.415 17614 4919 1 5 . 1 1 54 54 ILE H H 66 8.018 8.018 7.433 0.585 17614 4920 1 5 . 1 1 55 55 LEU N N 67 119.838 119.838 118.037 1.801 17614 4921 1 5 . 1 1 55 55 LEU C C 67 178.706 178.706 178.702 0.004 17614 4922 1 5 . 1 1 55 55 LEU CA C 67 58.491 58.491 57.797 0.694 17614 4923 1 5 . 1 1 55 55 LEU CB C 67 41.387 41.387 41.461 -0.074 17614 4924 1 5 . 1 1 55 55 LEU H H 67 8.291 8.291 7.568 0.723 17614 4925 1 5 . 1 1 56 56 THR N N 68 115.362 115.362 115.644 -0.282 17614 4926 1 5 . 1 1 56 56 THR C C 68 176.764 176.764 176.544 0.220 17614 4927 1 5 . 1 1 56 56 THR CA C 68 67.040 67.040 66.348 0.692 17614 4928 1 5 . 1 1 56 56 THR CB C 68 69.403 69.403 68.838 0.565 17614 4929 1 5 . 1 1 56 56 THR H H 68 7.963 7.963 7.351 0.612 17614 4930 1 5 . 1 1 57 57 MET N N 69 122.960 122.960 118.454 4.506 17614 4931 1 5 . 1 1 57 57 MET C C 69 177.153 177.153 178.294 -1.141 17614 4932 1 5 . 1 1 57 57 MET CA C 69 59.710 59.710 59.025 0.685 17614 4933 1 5 . 1 1 57 57 MET CB C 69 33.111 33.111 32.157 0.954 17614 4934 1 5 . 1 1 57 57 MET H H 69 7.977 7.977 7.565 0.412 17614 4935 1 5 . 1 1 58 58 VAL N N 70 119.558 119.558 114.435 5.123 17614 4936 1 5 . 1 1 58 58 VAL C C 70 176.841 176.841 177.368 -0.527 17614 4937 1 5 . 1 1 58 58 VAL CA C 70 66.277 66.277 64.500 1.777 17614 4938 1 5 . 1 1 58 58 VAL CB C 70 31.362 31.362 31.428 -0.066 17614 4939 1 5 . 1 1 58 58 VAL H H 70 7.751 7.751 7.337 0.414 17614 4940 1 5 . 1 1 59 59 ARG N N 71 118.002 118.002 119.111 -1.109 17614 4941 1 5 . 1 1 59 59 ARG C C 71 177.152 177.152 178.023 -0.871 17614 4942 1 5 . 1 1 59 59 ARG CA C 71 58.761 58.761 58.389 0.372 17614 4943 1 5 . 1 1 59 59 ARG CB C 71 30.656 30.656 30.161 0.495 17614 4944 1 5 . 1 1 59 59 ARG H H 71 7.827 7.827 7.669 0.158 17614 4945 1 5 . 1 1 60 60 THR N N 72 111.410 111.410 114.629 -3.219 17614 4946 1 5 . 1 1 60 60 THR C C 72 175.288 175.288 175.681 -0.393 17614 4947 1 5 . 1 1 60 60 THR CA C 72 64.194 64.194 65.892 -1.698 17614 4948 1 5 . 1 1 60 60 THR CB C 72 70.312 70.312 68.993 1.319 17614 4949 1 5 . 1 1 60 60 THR H H 72 7.745 7.745 7.675 0.070 17614 4950 1 5 . 1 1 61 61 GLU N N 73 120.577 120.577 118.731 1.846 17614 4951 1 5 . 1 1 61 61 GLU C C 73 177.696 177.696 176.649 1.047 17614 4952 1 5 . 1 1 61 61 GLU CA C 73 57.363 57.363 56.722 0.640 17614 4953 1 5 . 1 1 61 61 GLU CB C 73 30.927 30.927 31.797 -0.870 17614 4954 1 5 . 1 1 61 61 GLU H H 73 8.263 8.263 7.914 0.349 17614 4955 1 5 . 1 1 62 62 GLY N N 74 108.209 108.209 107.051 1.158 17614 4956 1 5 . 1 1 62 62 GLY CA C 74 45.593 45.593 44.876 0.717 17614 4957 1 5 . 1 1 62 62 GLY H H 74 7.841 7.841 7.456 0.385 17614 4958 1 5 . 1 1 63 63 PRO C C 75 177.152 177.152 178.375 -1.223 17614 4959 1 5 . 1 1 63 63 PRO CA C 75 65.652 65.652 64.593 1.059 17614 4960 1 5 . 1 1 63 63 PRO CB C 75 32.294 32.294 32.119 0.175 17614 4961 1 5 . 1 1 64 64 ARG N N 76 118.553 118.553 117.057 1.496 17614 4962 1 5 . 1 1 64 64 ARG C C 76 177.696 177.696 177.675 0.021 17614 4963 1 5 . 1 1 64 64 ARG CA C 76 59.785 59.785 58.260 1.525 17614 4964 1 5 . 1 1 64 64 ARG CB C 76 29.671 29.671 29.390 0.281 17614 4965 1 5 . 1 1 64 64 ARG H H 76 8.427 8.427 8.559 -0.132 17614 4966 1 5 . 1 1 65 65 SER N N 77 115.323 115.323 114.009 1.314 17614 4967 1 5 . 1 1 65 65 SER C C 77 177.230 177.230 176.155 1.075 17614 4968 1 5 . 1 1 65 65 SER CA C 77 61.318 61.318 60.699 0.619 17614 4969 1 5 . 1 1 65 65 SER CB C 77 63.281 63.281 63.516 -0.235 17614 4970 1 5 . 1 1 65 65 SER H H 77 7.963 7.963 8.035 -0.072 17614 4971 1 5 . 1 1 66 66 LEU N N 78 122.598 122.598 122.157 0.441 17614 4972 1 5 . 1 1 66 66 LEU C C 78 177.696 177.696 178.038 -0.342 17614 4973 1 5 . 1 1 66 66 LEU CA C 78 57.792 57.792 56.919 0.874 17614 4974 1 5 . 1 1 66 66 LEU CB C 78 42.202 42.202 42.403 -0.201 17614 4975 1 5 . 1 1 66 66 LEU H H 78 7.595 7.595 7.835 -0.240 17614 4976 1 5 . 1 1 67 67 TYR N N 79 119.276 119.276 114.701 4.575 17614 4977 1 5 . 1 1 67 67 TYR C C 79 176.142 176.142 174.723 1.419 17614 4978 1 5 . 1 1 67 67 TYR CA C 79 60.792 60.792 58.796 1.996 17614 4979 1 5 . 1 1 67 67 TYR CB C 79 38.687 38.687 38.786 -0.099 17614 4980 1 5 . 1 1 67 67 TYR H H 79 7.868 7.868 7.609 0.259 17614 4981 1 5 . 1 1 68 68 ASN N N 80 117.249 117.249 116.742 0.507 17614 4982 1 5 . 1 1 68 68 ASN C C 80 178.472 178.472 175.531 2.941 17614 4983 1 5 . 1 1 68 68 ASN CA C 80 53.024 53.024 52.100 0.924 17614 4984 1 5 . 1 1 68 68 ASN CB C 80 37.946 37.946 39.691 -1.745 17614 4985 1 5 . 1 1 68 68 ASN H H 80 8.374 8.374 7.403 0.971 17614 4986 1 5 . 1 1 69 69 GLY N N 81 108.575 108.575 109.756 -1.181 17614 4987 1 5 . 1 1 69 69 GLY C C 81 175.521 175.521 175.507 0.014 17614 4988 1 5 . 1 1 69 69 GLY CA C 81 46.266 46.266 45.860 0.406 17614 4989 1 5 . 1 1 69 69 GLY H H 81 8.086 8.086 8.672 -0.586 17614 4990 1 5 . 1 1 70 70 LEU N N 82 124.326 124.326 119.705 4.621 17614 4991 1 5 . 1 1 70 70 LEU C C 82 178.239 178.239 177.846 0.393 17614 4992 1 5 . 1 1 70 70 LEU CA C 82 58.217 58.217 57.749 0.468 17614 4993 1 5 . 1 1 70 70 LEU CB C 82 42.351 42.351 41.319 1.032 17614 4994 1 5 . 1 1 70 70 LEU H H 82 7.991 7.991 7.800 0.191 17614 4995 1 5 . 1 1 71 71 VAL N N 83 117.727 117.727 118.021 -0.294 17614 4996 1 5 . 1 1 71 71 VAL C C 83 177.851 177.851 176.906 0.945 17614 4997 1 5 . 1 1 71 71 VAL CA C 83 64.113 64.113 64.271 -0.158 17614 4998 1 5 . 1 1 71 71 VAL CB C 83 31.924 31.924 31.020 0.904 17614 4999 1 5 . 1 1 71 71 VAL H H 83 8.004 8.004 7.975 0.029 17614 5000 1 5 . 1 1 72 72 ALA N N 84 121.414 121.414 121.568 -0.154 17614 5001 1 5 . 1 1 72 72 ALA C C 84 180.570 180.570 179.607 0.963 17614 5002 1 5 . 1 1 72 72 ALA CA C 84 55.031 55.031 54.430 0.601 17614 5003 1 5 . 1 1 72 72 ALA CB C 84 18.286 18.286 18.584 -0.298 17614 5004 1 5 . 1 1 72 72 ALA H H 84 7.677 7.677 7.210 0.467 17614 5005 1 5 . 1 1 73 73 GLY N N 85 106.471 106.471 107.200 -0.729 17614 5006 1 5 . 1 1 73 73 GLY C C 85 175.521 175.521 176.002 -0.481 17614 5007 1 5 . 1 1 73 73 GLY CA C 85 47.191 47.191 46.575 0.616 17614 5008 1 5 . 1 1 73 73 GLY H H 85 7.963 7.963 7.684 0.279 17614 5009 1 5 . 1 1 74 74 LEU N N 86 122.326 122.326 121.720 0.606 17614 5010 1 5 . 1 1 74 74 LEU C C 86 178.239 178.239 179.011 -0.772 17614 5011 1 5 . 1 1 74 74 LEU CA C 86 57.493 57.493 57.506 -0.013 17614 5012 1 5 . 1 1 74 74 LEU CB C 86 42.202 42.202 41.614 0.588 17614 5013 1 5 . 1 1 74 74 LEU H H 86 8.100 8.100 7.392 0.708 17614 5014 1 5 . 1 1 75 75 GLN N N 87 117.736 117.736 117.265 0.471 17614 5015 1 5 . 1 1 75 75 GLN C C 87 177.340 177.340 178.299 -0.959 17614 5016 1 5 . 1 1 75 75 GLN CA C 87 57.787 57.787 58.980 -1.193 17614 5017 1 5 . 1 1 75 75 GLN CB C 87 28.942 28.942 28.174 0.768 17614 5018 1 5 . 1 1 75 75 GLN H H 87 8.004 8.004 7.790 0.214 17614 5019 1 5 . 1 1 76 76 ARG N N 88 118.107 118.107 118.673 -0.566 17614 5020 1 5 . 1 1 76 76 ARG C C 88 177.930 177.930 178.928 -0.998 17614 5021 1 5 . 1 1 76 76 ARG CA C 88 58.062 58.062 58.867 -0.805 17614 5022 1 5 . 1 1 76 76 ARG CB C 88 30.774 30.774 29.468 1.306 17614 5023 1 5 . 1 1 76 76 ARG H H 88 7.568 7.568 7.439 0.129 17614 5024 1 5 . 1 1 77 77 GLN N N 89 117.921 117.921 118.537 -0.616 17614 5025 1 5 . 1 1 77 77 GLN C C 89 177.375 177.375 178.588 -1.213 17614 5026 1 5 . 1 1 77 77 GLN CA C 89 56.838 56.838 58.213 -1.375 17614 5027 1 5 . 1 1 77 77 GLN CB C 89 29.006 29.006 28.529 0.477 17614 5028 1 5 . 1 1 77 77 GLN H H 89 7.827 7.827 7.520 0.307 17614 5029 1 5 . 1 1 78 78 MET N N 90 118.378 118.378 120.111 -1.733 17614 5030 1 5 . 1 1 78 78 MET C C 90 176.365 176.365 178.222 -1.857 17614 5031 1 5 . 1 1 78 78 MET CA C 90 56.339 56.339 58.833 -2.494 17614 5032 1 5 . 1 1 78 78 MET CB C 90 33.444 33.444 32.796 0.648 17614 5033 1 5 . 1 1 78 78 MET H H 90 7.963 7.963 8.379 -0.416 17614 5034 1 5 . 1 1 79 79 SER N N 91 115.089 115.089 114.949 0.140 17614 5035 1 5 . 1 1 79 79 SER C C 91 175.899 175.899 176.587 -0.688 17614 5036 1 5 . 1 1 79 79 SER CA C 91 58.621 58.621 61.604 -2.983 17614 5037 1 5 . 1 1 79 79 SER CB C 91 64.337 64.337 62.859 1.478 17614 5038 1 5 . 1 1 79 79 SER H H 91 7.868 7.868 7.873 -0.005 17614 5039 1 5 . 1 1 80 80 PHE N N 92 122.852 122.852 122.930 -0.078 17614 5040 1 5 . 1 1 80 80 PHE C C 92 177.375 177.375 176.373 1.002 17614 5041 1 5 . 1 1 80 80 PHE CA C 92 59.095 59.095 61.601 -2.506 17614 5042 1 5 . 1 1 80 80 PHE CB C 92 38.937 38.937 39.070 -0.133 17614 5043 1 5 . 1 1 80 80 PHE H H 92 8.332 8.332 7.594 0.738 17614 5044 1 5 . 1 1 81 81 ALA N N 93 123.258 123.258 119.996 3.262 17614 5045 1 5 . 1 1 81 81 ALA C C 93 178.628 178.628 179.004 -0.376 17614 5046 1 5 . 1 1 81 81 ALA CA C 93 54.881 54.881 54.175 0.706 17614 5047 1 5 . 1 1 81 81 ALA CB C 93 17.902 17.902 18.178 -0.276 17614 5048 1 5 . 1 1 81 81 ALA H H 93 8.223 8.223 7.742 0.481 17614 5049 1 5 . 1 1 82 82 SER N N 94 112.886 112.886 114.640 -1.754 17614 5050 1 5 . 1 1 82 82 SER C C 94 176.831 176.831 177.180 -0.349 17614 5051 1 5 . 1 1 82 82 SER CA C 94 60.319 60.319 61.188 -0.869 17614 5052 1 5 . 1 1 82 82 SER CB C 94 63.611 63.611 63.618 -0.007 17614 5053 1 5 . 1 1 82 82 SER H H 94 7.977 7.977 7.642 0.335 17614 5054 1 5 . 1 1 83 83 VAL N N 95 121.854 121.854 118.485 3.369 17614 5055 1 5 . 1 1 83 83 VAL C C 95 176.220 176.220 176.199 0.021 17614 5056 1 5 . 1 1 83 83 VAL CA C 95 64.629 64.629 65.053 -0.424 17614 5057 1 5 . 1 1 83 83 VAL CB C 95 31.328 31.328 31.116 0.211 17614 5058 1 5 . 1 1 83 83 VAL H H 95 7.581 7.581 7.933 -0.352 17614 5059 1 5 . 1 1 84 84 ARG N N 96 121.329 121.329 119.018 2.311 17614 5060 1 5 . 1 1 84 84 ARG C C 96 176.814 176.814 176.714 0.100 17614 5061 1 5 . 1 1 84 84 ARG CA C 96 58.636 58.636 57.744 0.892 17614 5062 1 5 . 1 1 84 84 ARG CB C 96 30.672 30.672 29.040 1.632 17614 5063 1 5 . 1 1 84 84 ARG H H 96 7.936 7.936 7.160 0.776 17614 5064 1 5 . 1 1 85 85 ILE N N 97 119.194 119.194 118.846 0.348 17614 5065 1 5 . 1 1 85 85 ILE C C 97 177.152 177.152 176.004 1.148 17614 5066 1 5 . 1 1 85 85 ILE CA C 97 63.296 63.296 61.624 1.672 17614 5067 1 5 . 1 1 85 85 ILE CB C 97 38.757 38.757 38.297 0.460 17614 5068 1 5 . 1 1 85 85 ILE H H 97 7.802 7.802 7.518 0.284 17614 5069 1 5 . 1 1 86 86 GLY N N 98 109.857 109.857 107.968 1.889 17614 5070 1 5 . 1 1 86 86 GLY C C 98 176.064 176.064 174.958 1.106 17614 5071 1 5 . 1 1 86 86 GLY CA C 98 46.941 46.941 46.156 0.786 17614 5072 1 5 . 1 1 86 86 GLY H H 98 8.127 8.127 7.735 0.392 17614 5073 1 5 . 1 1 87 87 LEU N N 99 123.258 123.258 122.861 0.397 17614 5074 1 5 . 1 1 87 87 LEU C C 99 177.856 177.856 178.268 -0.412 17614 5075 1 5 . 1 1 87 87 LEU CA C 99 58.264 58.264 57.411 0.853 17614 5076 1 5 . 1 1 87 87 LEU CB C 99 42.488 42.488 42.046 0.442 17614 5077 1 5 . 1 1 87 87 LEU H H 99 8.223 8.223 8.526 -0.303 17614 5078 1 5 . 1 1 88 88 TYR N N 100 119.770 119.770 119.400 0.370 17614 5079 1 5 . 1 1 88 88 TYR C C 100 176.997 176.997 177.645 -0.648 17614 5080 1 5 . 1 1 88 88 TYR CA C 100 61.592 61.592 62.035 -0.443 17614 5081 1 5 . 1 1 88 88 TYR CB C 100 38.809 38.809 37.987 0.822 17614 5082 1 5 . 1 1 88 88 TYR H H 100 8.207 8.207 7.849 0.358 17614 5083 1 5 . 1 1 89 89 ASP N N 101 118.460 118.460 118.111 0.349 17614 5084 1 5 . 1 1 89 89 ASP C C 101 178.939 178.939 178.629 0.310 17614 5085 1 5 . 1 1 89 89 ASP CA C 101 57.797 57.797 57.078 0.719 17614 5086 1 5 . 1 1 89 89 ASP CB C 101 40.498 40.498 40.560 -0.062 17614 5087 1 5 . 1 1 89 89 ASP H H 101 8.401 8.401 8.438 -0.037 17614 5088 1 5 . 1 1 90 90 SER N N 102 116.022 116.022 114.969 1.053 17614 5089 1 5 . 1 1 90 90 SER C C 102 176.005 176.005 176.269 -0.264 17614 5090 1 5 . 1 1 90 90 SER CA C 102 62.791 62.791 61.584 1.207 17614 5091 1 5 . 1 1 90 90 SER CB C 102 64.211 64.211 63.361 0.850 17614 5092 1 5 . 1 1 90 90 SER H H 102 7.854 7.854 7.797 0.057 17614 5093 1 5 . 1 1 91 91 VAL N N 103 120.844 120.844 120.069 0.775 17614 5094 1 5 . 1 1 91 91 VAL C C 103 177.307 177.307 177.255 0.052 17614 5095 1 5 . 1 1 91 91 VAL CA C 103 66.510 66.510 65.145 1.365 17614 5096 1 5 . 1 1 91 91 VAL CB C 103 31.965 31.965 31.057 0.908 17614 5097 1 5 . 1 1 91 91 VAL H H 103 7.926 7.926 7.596 0.330 17614 5098 1 5 . 1 1 92 92 LYS N N 104 120.468 120.468 119.964 0.504 17614 5099 1 5 . 1 1 92 92 LYS C C 104 178.861 178.861 178.643 0.218 17614 5100 1 5 . 1 1 92 92 LYS CA C 104 60.184 60.184 59.649 0.535 17614 5101 1 5 . 1 1 92 92 LYS CB C 104 31.979 31.979 32.365 -0.387 17614 5102 1 5 . 1 1 92 92 LYS H H 104 8.127 8.127 7.695 0.432 17614 5103 1 5 . 1 1 93 93 GLN N N 105 118.386 118.386 116.961 1.425 17614 5104 1 5 . 1 1 93 93 GLN C C 105 177.540 177.540 178.181 -0.641 17614 5105 1 5 . 1 1 93 93 GLN CA C 105 58.786 58.786 57.839 0.947 17614 5106 1 5 . 1 1 93 93 GLN CB C 105 28.377 28.377 28.729 -0.352 17614 5107 1 5 . 1 1 93 93 GLN H H 105 7.841 7.841 7.703 0.138 17614 5108 1 5 . 1 1 94 94 PHE N N 106 119.471 119.471 118.294 1.177 17614 5109 1 5 . 1 1 94 94 PHE C C 106 176.531 176.531 175.997 0.534 17614 5110 1 5 . 1 1 94 94 PHE CA C 106 60.593 60.593 60.479 0.114 17614 5111 1 5 . 1 1 94 94 PHE CB C 106 39.459 39.459 39.543 -0.084 17614 5112 1 5 . 1 1 94 94 PHE H H 106 7.772 7.772 7.443 0.329 17614 5113 1 5 . 1 1 95 95 TYR N N 107 118.288 118.288 113.979 4.309 17614 5114 1 5 . 1 1 95 95 TYR C C 107 176.220 176.220 176.898 -0.678 17614 5115 1 5 . 1 1 95 95 TYR CA C 107 60.543 60.543 56.584 3.959 17614 5116 1 5 . 1 1 95 95 TYR CB C 107 38.819 38.819 39.196 -0.377 17614 5117 1 5 . 1 1 95 95 TYR H H 107 8.045 8.045 7.367 0.678 17614 5118 1 5 . 1 1 96 96 THR N N 108 113.383 113.383 113.237 0.146 17614 5119 1 5 . 1 1 96 96 THR C C 108 175.288 175.288 174.237 1.051 17614 5120 1 5 . 1 1 96 96 THR CA C 108 64.094 64.094 62.427 1.667 17614 5121 1 5 . 1 1 96 96 THR CB C 108 69.986 69.986 68.539 1.447 17614 5122 1 5 . 1 1 96 96 THR H H 108 7.868 7.868 7.588 0.280 17614 5123 1 5 . 1 1 101 101 HIS C C 113 173.413 173.413 173.863 -0.450 17614 5124 1 5 . 1 1 101 101 HIS H H 113 7.968 7.968 8.145 -0.177 17614 5125 1 5 . 1 1 102 102 ALA N N 114 119.456 119.456 124.087 -4.631 17614 5126 1 5 . 1 1 102 102 ALA C C 114 177.851 177.851 176.417 1.434 17614 5127 1 5 . 1 1 102 102 ALA CA C 114 53.283 53.283 52.549 0.734 17614 5128 1 5 . 1 1 102 102 ALA CB C 114 19.362 19.362 19.122 0.240 17614 5129 1 5 . 1 1 102 102 ALA H H 114 8.433 8.433 8.053 0.380 17614 5130 1 5 . 1 1 103 103 GLY N N 115 108.484 108.484 105.412 3.072 17614 5131 1 5 . 1 1 103 103 GLY C C 115 174.822 174.822 174.988 -0.166 17614 5132 1 5 . 1 1 103 103 GLY CA C 115 45.968 45.968 45.198 0.770 17614 5133 1 5 . 1 1 103 103 GLY H H 115 8.250 8.250 8.141 0.109 17614 5134 1 5 . 1 1 104 104 ILE N N 116 121.139 121.139 121.793 -0.654 17614 5135 1 5 . 1 1 104 104 ILE C C 116 176.841 176.841 177.813 -0.972 17614 5136 1 5 . 1 1 104 104 ILE CA C 116 63.160 63.160 63.305 -0.145 17614 5137 1 5 . 1 1 104 104 ILE CB C 116 38.853 38.853 37.337 1.516 17614 5138 1 5 . 1 1 104 104 ILE H H 116 8.127 8.127 8.150 -0.023 17614 5139 1 5 . 1 1 105 105 GLY N N 117 110.863 110.863 107.163 3.700 17614 5140 1 5 . 1 1 105 105 GLY C C 117 174.588 174.588 176.470 -1.882 17614 5141 1 5 . 1 1 105 105 GLY CA C 117 46.791 46.791 47.275 -0.484 17614 5142 1 5 . 1 1 105 105 GLY H H 117 8.509 8.509 8.350 0.159 17614 5143 1 5 . 1 1 106 106 SER N N 118 116.069 116.069 117.218 -1.149 17614 5144 1 5 . 1 1 106 106 SER C C 118 175.754 175.754 176.509 -0.755 17614 5145 1 5 . 1 1 106 106 SER CA C 118 60.319 60.319 61.468 -1.149 17614 5146 1 5 . 1 1 106 106 SER CB C 118 63.864 63.864 62.962 0.901 17614 5147 1 5 . 1 1 106 106 SER H H 118 7.991 7.991 8.035 -0.044 17614 5148 1 5 . 1 1 107 107 ARG N N 119 122.134 122.134 121.715 0.419 17614 5149 1 5 . 1 1 107 107 ARG C C 119 178.228 178.228 178.502 -0.274 17614 5150 1 5 . 1 1 107 107 ARG CA C 119 57.787 57.787 59.502 -1.714 17614 5151 1 5 . 1 1 107 107 ARG CB C 119 30.549 30.549 30.151 0.398 17614 5152 1 5 . 1 1 107 107 ARG H H 119 7.963 7.963 8.214 -0.251 17614 5153 1 5 . 1 1 108 108 LEU N N 120 120.403 120.403 120.273 0.130 17614 5154 1 5 . 1 1 108 108 LEU C C 120 177.230 177.230 179.196 -1.966 17614 5155 1 5 . 1 1 108 108 LEU CA C 120 57.967 57.967 57.947 0.020 17614 5156 1 5 . 1 1 108 108 LEU CB C 120 42.146 42.146 41.761 0.385 17614 5157 1 5 . 1 1 108 108 LEU H H 120 7.914 7.914 7.516 0.398 17614 5158 1 5 . 1 1 109 109 LEU N N 121 118.960 118.960 119.826 -0.866 17614 5159 1 5 . 1 1 109 109 LEU C C 121 177.152 177.152 179.615 -2.463 17614 5160 1 5 . 1 1 109 109 LEU CA C 121 55.495 55.495 57.686 -2.191 17614 5161 1 5 . 1 1 109 109 LEU CB C 121 42.238 42.238 41.394 0.844 17614 5162 1 5 . 1 1 109 109 LEU H H 121 7.718 7.718 8.144 -0.426 17614 5163 1 5 . 1 1 110 110 ALA N N 122 123.063 123.063 121.490 1.573 17614 5164 1 5 . 1 1 110 110 ALA C C 122 178.317 178.317 179.755 -1.438 17614 5165 1 5 . 1 1 110 110 ALA CA C 122 53.358 53.358 55.499 -2.141 17614 5166 1 5 . 1 1 110 110 ALA CB C 122 19.218 19.218 18.175 1.043 17614 5167 1 5 . 1 1 110 110 ALA H H 122 7.745 7.745 8.824 -1.079 17614 5168 1 5 . 1 1 111 111 GLY N N 123 107.843 107.843 106.572 1.271 17614 5169 1 5 . 1 1 111 111 GLY C C 123 176.912 176.912 176.369 0.543 17614 5170 1 5 . 1 1 111 111 GLY CA C 123 45.943 45.943 46.790 -0.847 17614 5171 1 5 . 1 1 111 111 GLY H H 123 8.113 8.113 8.689 -0.576 17614 5172 1 5 . 1 1 112 112 SER N N 124 116.105 116.105 117.248 -1.143 17614 5173 1 5 . 1 1 112 112 SER C C 124 175.574 175.574 176.681 -1.107 17614 5174 1 5 . 1 1 112 112 SER CA C 124 59.145 59.145 61.728 -2.583 17614 5175 1 5 . 1 1 112 112 SER CB C 124 64.211 64.211 62.836 1.375 17614 5176 1 5 . 1 1 112 112 SER H H 124 8.109 8.109 8.458 -0.349 17614 5177 1 5 . 1 1 113 113 THR N N 125 116.069 116.069 118.705 -2.636 17614 5178 1 5 . 1 1 113 113 THR C C 125 176.055 176.055 176.733 -0.678 17614 5179 1 5 . 1 1 113 113 THR CA C 125 66.921 66.921 66.615 0.306 17614 5180 1 5 . 1 1 113 113 THR CB C 125 69.682 69.682 68.679 1.003 17614 5181 1 5 . 1 1 113 113 THR H H 125 8.086 8.086 8.352 -0.266 17614 5182 1 5 . 1 1 114 114 THR N N 126 115.439 115.439 117.294 -1.855 17614 5183 1 5 . 1 1 114 114 THR C C 126 177.443 177.443 176.591 0.852 17614 5184 1 5 . 1 1 114 114 THR CA C 126 65.285 65.285 66.014 -0.729 17614 5185 1 5 . 1 1 114 114 THR CB C 126 68.364 68.364 68.299 0.065 17614 5186 1 5 . 1 1 114 114 THR H H 126 7.977 7.977 8.281 -0.304 17614 5187 1 5 . 1 1 115 115 GLY N N 127 115.453 115.453 108.428 7.025 17614 5188 1 5 . 1 1 115 115 GLY C C 127 174.215 174.215 175.080 -0.865 17614 5189 1 5 . 1 1 115 115 GLY CA C 127 46.117 46.117 46.907 -0.790 17614 5190 1 5 . 1 1 115 115 GLY H H 127 8.168 8.168 8.022 0.146 17614 5191 1 5 . 1 1 116 116 ALA N N 128 123.952 123.952 124.390 -0.438 17614 5192 1 5 . 1 1 116 116 ALA C C 128 178.162 178.162 179.830 -1.668 17614 5193 1 5 . 1 1 116 116 ALA CA C 128 53.349 53.349 54.867 -1.518 17614 5194 1 5 . 1 1 116 116 ALA CB C 128 19.099 19.099 18.279 0.820 17614 5195 1 5 . 1 1 116 116 ALA H H 128 7.919 7.919 7.451 0.468 17614 5196 1 5 . 1 1 117 117 LEU N N 129 120.025 120.025 118.614 1.411 17614 5197 1 5 . 1 1 117 117 LEU C C 129 177.949 177.949 179.165 -1.216 17614 5198 1 5 . 1 1 117 117 LEU CA C 129 56.019 56.019 57.499 -1.480 17614 5199 1 5 . 1 1 117 117 LEU CB C 129 42.340 42.340 41.103 1.237 17614 5200 1 5 . 1 1 117 117 LEU H H 129 7.936 7.936 7.643 0.293 17614 5201 1 5 . 1 1 118 118 ALA N N 130 123.402 123.402 121.751 1.651 17614 5202 1 5 . 1 1 118 118 ALA C C 130 177.929 177.929 179.566 -1.637 17614 5203 1 5 . 1 1 118 118 ALA CA C 130 53.283 53.283 54.985 -1.702 17614 5204 1 5 . 1 1 118 118 ALA CB C 130 18.964 18.964 18.532 0.432 17614 5205 1 5 . 1 1 118 118 ALA H H 130 7.868 7.868 8.128 -0.260 17614 5206 1 5 . 1 1 119 119 VAL N N 131 118.111 118.111 114.475 3.636 17614 5207 1 5 . 1 1 119 119 VAL C C 131 176.025 176.025 177.530 -1.505 17614 5208 1 5 . 1 1 119 119 VAL CA C 131 63.180 63.180 64.874 -1.694 17614 5209 1 5 . 1 1 119 119 VAL CB C 131 32.898 32.898 31.393 1.505 17614 5210 1 5 . 1 1 119 119 VAL H H 131 7.636 7.636 7.939 -0.303 17614 5211 1 5 . 1 1 120 120 ALA N N 132 124.047 124.047 122.919 1.128 17614 5212 1 5 . 1 1 120 120 ALA C C 132 179.008 179.008 178.553 0.455 17614 5213 1 5 . 1 1 120 120 ALA CA C 132 53.707 53.707 54.574 -0.867 17614 5214 1 5 . 1 1 120 120 ALA CB C 132 19.150 19.150 18.714 0.436 17614 5215 1 5 . 1 1 120 120 ALA H H 132 7.911 7.911 7.639 0.272 17614 5216 1 5 . 1 1 121 121 VAL N N 133 113.349 113.349 117.350 -4.001 17614 5217 1 5 . 1 1 121 121 VAL C C 133 175.527 175.527 175.695 -0.168 17614 5218 1 5 . 1 1 121 121 VAL CA C 133 64.115 64.115 63.347 0.768 17614 5219 1 5 . 1 1 121 121 VAL CB C 133 31.832 31.832 32.641 -0.808 17614 5220 1 5 . 1 1 121 121 VAL H H 133 7.094 7.094 7.562 -0.468 17614 5221 1 5 . 1 1 122 122 ALA N N 134 123.224 123.224 120.273 2.951 17614 5222 1 5 . 1 1 122 122 ALA CA C 134 55.493 55.493 51.192 4.301 17614 5223 1 5 . 1 1 122 122 ALA H H 134 7.586 7.586 7.416 0.170 17614 5224 1 5 . 1 1 124 124 PRO C C 136 177.074 177.074 178.897 -1.823 17614 5225 1 5 . 1 1 125 125 THR N N 137 113.281 113.281 110.568 2.713 17614 5226 1 5 . 1 1 125 125 THR C C 137 174.485 174.485 176.401 -1.916 17614 5227 1 5 . 1 1 125 125 THR CA C 137 64.496 64.496 66.410 -1.914 17614 5228 1 5 . 1 1 125 125 THR CB C 137 69.997 69.997 68.596 1.401 17614 5229 1 5 . 1 1 125 125 THR H H 137 7.963 7.963 8.227 -0.264 17614 5230 1 5 . 1 1 126 126 ASP N N 138 122.770 122.770 121.738 1.032 17614 5231 1 5 . 1 1 126 126 ASP C C 138 178.458 178.458 178.502 -0.044 17614 5232 1 5 . 1 1 126 126 ASP CA C 138 56.776 56.776 58.035 -1.260 17614 5233 1 5 . 1 1 126 126 ASP CB C 138 41.023 41.023 40.543 0.480 17614 5234 1 5 . 1 1 126 126 ASP H H 138 8.094 8.094 7.747 0.347 17614 5235 1 5 . 1 1 127 127 VAL N N 139 119.931 119.931 119.570 0.361 17614 5236 1 5 . 1 1 127 127 VAL C C 139 177.502 177.502 177.874 -0.372 17614 5237 1 5 . 1 1 127 127 VAL CA C 139 66.455 66.455 66.249 0.206 17614 5238 1 5 . 1 1 127 127 VAL CB C 139 32.804 32.804 31.615 1.189 17614 5239 1 5 . 1 1 127 127 VAL H H 139 7.753 7.753 7.536 0.217 17614 5240 1 5 . 1 1 128 128 VAL N N 140 120.539 120.539 120.105 0.434 17614 5241 1 5 . 1 1 128 128 VAL C C 140 176.232 176.232 177.339 -1.107 17614 5242 1 5 . 1 1 128 128 VAL CA C 140 66.770 66.770 66.713 0.056 17614 5243 1 5 . 1 1 128 128 VAL CB C 140 32.086 32.086 31.857 0.229 17614 5244 1 5 . 1 1 128 128 VAL H H 140 8.295 8.295 8.074 0.221 17614 5245 1 5 . 1 1 129 129 LYS N N 141 120.122 120.122 120.140 -0.018 17614 5246 1 5 . 1 1 129 129 LYS C C 141 176.120 176.120 179.154 -3.034 17614 5247 1 5 . 1 1 129 129 LYS CA C 141 55.991 55.991 59.603 -3.612 17614 5248 1 5 . 1 1 129 129 LYS CB C 141 31.712 31.712 32.010 -0.298 17614 5249 1 5 . 1 1 129 129 LYS H H 141 7.698 7.698 7.688 0.010 17614 5250 1 5 . 1 1 130 130 VAL N N 142 120.104 120.104 119.330 0.774 17614 5251 1 5 . 1 1 130 130 VAL CA C 142 63.230 63.230 66.262 -3.032 17614 5252 1 5 . 1 1 130 130 VAL H H 142 7.772 7.772 7.399 0.373 17614 5253 1 5 . 1 1 131 131 ARG C C 143 178.401 178.401 178.807 -0.406 17614 5254 1 5 . 1 1 131 131 ARG H H 143 7.999 7.999 7.521 0.478 17614 5255 1 5 . 1 1 132 132 PHE N N 144 120.445 120.445 120.395 0.050 17614 5256 1 5 . 1 1 132 132 PHE C C 144 177.856 177.856 176.291 1.565 17614 5257 1 5 . 1 1 132 132 PHE CA C 144 61.438 61.438 60.976 0.462 17614 5258 1 5 . 1 1 132 132 PHE H H 144 8.395 8.395 8.561 -0.166 17614 5259 1 5 . 1 1 133 133 GLN N N 145 124.180 124.180 117.051 7.129 17614 5260 1 5 . 1 1 133 133 GLN C C 145 174.844 174.844 177.640 -2.796 17614 5261 1 5 . 1 1 133 133 GLN CA C 145 56.414 56.414 58.424 -2.010 17614 5262 1 5 . 1 1 133 133 GLN CB C 145 30.721 30.721 28.952 1.769 17614 5263 1 5 . 1 1 133 133 GLN H H 145 8.094 8.094 7.791 0.303 17614 5264 1 5 . 1 1 134 134 ALA N N 146 120.452 120.452 120.442 0.010 17614 5265 1 5 . 1 1 134 134 ALA C C 146 177.929 177.929 177.611 0.318 17614 5266 1 5 . 1 1 134 134 ALA CA C 146 53.483 53.483 53.021 0.462 17614 5267 1 5 . 1 1 134 134 ALA CB C 146 18.431 18.431 18.885 -0.454 17614 5268 1 5 . 1 1 134 134 ALA H H 146 7.939 7.939 7.372 0.567 17614 5269 1 5 . 1 1 135 135 GLN N N 147 119.388 119.388 118.858 0.530 17614 5270 1 5 . 1 1 135 135 GLN C C 147 176.029 176.029 175.053 0.976 17614 5271 1 5 . 1 1 135 135 GLN CA C 147 56.339 56.339 56.456 -0.117 17614 5272 1 5 . 1 1 135 135 GLN CB C 147 29.444 29.444 28.337 1.107 17614 5273 1 5 . 1 1 135 135 GLN H H 147 8.072 8.072 7.573 0.499 17614 5274 1 5 . 1 1 136 136 ALA N N 148 125.199 125.199 129.440 -4.241 17614 5275 1 5 . 1 1 136 136 ALA C C 148 177.766 177.766 178.317 -0.551 17614 5276 1 5 . 1 1 136 136 ALA CA C 148 53.108 53.108 52.939 0.169 17614 5277 1 5 . 1 1 136 136 ALA CB C 148 19.151 19.151 19.412 -0.261 17614 5278 1 5 . 1 1 136 136 ALA H H 148 8.055 8.055 8.160 -0.105 17614 5279 1 5 . 1 1 137 137 ARG N N 149 120.208 120.208 119.680 0.528 17614 5280 1 5 . 1 1 137 137 ARG CA C 149 56.414 56.414 55.697 0.717 17614 5281 1 5 . 1 1 137 137 ARG CB C 149 30.749 30.749 29.788 0.961 17614 5282 1 5 . 1 1 137 137 ARG H H 149 8.018 8.018 8.257 -0.239 17614 5283 1 5 . 1 1 147 147 THR C C 159 175.928 175.928 176.321 -0.393 17614 5284 1 5 . 1 1 148 148 VAL N N 160 118.321 118.321 121.020 -2.699 17614 5285 1 5 . 1 1 148 148 VAL C C 160 177.749 177.749 177.962 -0.213 17614 5286 1 5 . 1 1 148 148 VAL CA C 160 64.126 64.126 66.432 -2.306 17614 5287 1 5 . 1 1 148 148 VAL CB C 160 31.343 31.343 31.465 -0.122 17614 5288 1 5 . 1 1 148 148 VAL H H 160 8.073 8.073 7.895 0.178 17614 5289 1 5 . 1 1 149 149 GLU N N 161 122.379 122.379 119.731 2.648 17614 5290 1 5 . 1 1 149 149 GLU C C 161 178.783 178.783 177.864 0.919 17614 5291 1 5 . 1 1 149 149 GLU CA C 161 59.550 59.550 59.197 0.353 17614 5292 1 5 . 1 1 149 149 GLU CB C 161 29.597 29.597 28.986 0.611 17614 5293 1 5 . 1 1 149 149 GLU H H 161 8.204 8.204 8.422 -0.218 17614 5294 1 5 . 1 1 150 150 ALA N N 162 122.845 122.845 122.642 0.203 17614 5295 1 5 . 1 1 150 150 ALA C C 162 179.948 179.948 179.319 0.629 17614 5296 1 5 . 1 1 150 150 ALA CA C 162 55.181 55.181 55.102 0.079 17614 5297 1 5 . 1 1 150 150 ALA CB C 162 18.154 18.154 18.499 -0.345 17614 5298 1 5 . 1 1 150 150 ALA H H 162 7.786 7.786 8.408 -0.622 17614 5299 1 5 . 1 1 151 151 TYR N N 163 118.902 118.902 119.801 -0.899 17614 5300 1 5 . 1 1 151 151 TYR C C 163 177.273 177.273 177.597 -0.324 17614 5301 1 5 . 1 1 151 151 TYR CA C 163 61.068 61.068 61.633 -0.565 17614 5302 1 5 . 1 1 151 151 TYR CB C 163 37.898 37.898 38.702 -0.804 17614 5303 1 5 . 1 1 151 151 TYR H H 163 7.922 7.922 7.995 -0.073 17614 5304 1 5 . 1 1 152 152 LYS N N 164 119.939 119.939 118.364 1.575 17614 5305 1 5 . 1 1 152 152 LYS C C 164 178.239 178.239 178.996 -0.757 17614 5306 1 5 . 1 1 152 152 LYS CA C 164 60.309 60.309 59.097 1.212 17614 5307 1 5 . 1 1 152 152 LYS CB C 164 32.504 32.504 32.366 0.138 17614 5308 1 5 . 1 1 152 152 LYS H H 164 8.223 8.223 7.679 0.544 17614 5309 1 5 . 1 1 153 153 THR N N 165 115.262 115.262 115.512 -0.250 17614 5310 1 5 . 1 1 153 153 THR C C 165 175.676 175.676 176.398 -0.722 17614 5311 1 5 . 1 1 153 153 THR CA C 165 66.516 66.516 67.323 -0.807 17614 5312 1 5 . 1 1 153 153 THR CB C 165 69.367 69.367 68.437 0.930 17614 5313 1 5 . 1 1 153 153 THR H H 165 7.745 7.745 7.576 0.169 17614 5314 1 5 . 1 1 154 154 ILE N N 166 121.571 121.571 118.640 2.931 17614 5315 1 5 . 1 1 154 154 ILE C C 166 177.307 177.307 177.129 0.178 17614 5316 1 5 . 1 1 154 154 ILE CA C 166 64.634 64.634 63.043 1.591 17614 5317 1 5 . 1 1 154 154 ILE CB C 166 38.896 38.896 35.593 3.303 17614 5318 1 5 . 1 1 154 154 ILE H H 166 7.540 7.540 7.446 0.094 17614 5319 1 5 . 1 1 155 155 ALA N N 167 121.983 121.983 123.433 -1.450 17614 5320 1 5 . 1 1 155 155 ALA C C 167 178.395 178.395 180.280 -1.885 17614 5321 1 5 . 1 1 155 155 ALA CA C 167 54.656 54.656 54.906 -0.250 17614 5322 1 5 . 1 1 155 155 ALA CB C 167 18.486 18.486 18.212 0.274 17614 5323 1 5 . 1 1 155 155 ALA H H 167 8.059 8.059 7.804 0.255 17614 5324 1 5 . 1 1 156 156 ARG N N 168 116.369 116.369 118.449 -2.080 17614 5325 1 5 . 1 1 156 156 ARG C C 168 177.307 177.307 178.451 -1.144 17614 5326 1 5 . 1 1 156 156 ARG CA C 168 58.486 58.486 58.639 -0.152 17614 5327 1 5 . 1 1 156 156 ARG CB C 168 30.930 30.930 29.704 1.226 17614 5328 1 5 . 1 1 156 156 ARG H H 168 7.690 7.690 7.562 0.128 17614 5329 1 5 . 1 1 157 157 GLU N N 169 118.667 118.667 118.161 0.506 17614 5330 1 5 . 1 1 157 157 GLU C C 169 177.696 177.696 178.304 -0.608 17614 5331 1 5 . 1 1 157 157 GLU CA C 169 58.212 58.212 58.281 -0.068 17614 5332 1 5 . 1 1 157 157 GLU CB C 169 30.357 30.357 30.056 0.301 17614 5333 1 5 . 1 1 157 157 GLU H H 169 8.045 8.045 7.620 0.425 17614 5334 1 5 . 1 1 158 158 GLU N N 170 118.202 118.202 117.936 0.266 17614 5335 1 5 . 1 1 158 158 GLU C C 170 177.878 177.878 176.767 1.111 17614 5336 1 5 . 1 1 158 158 GLU CA C 170 57.363 57.363 56.444 0.919 17614 5337 1 5 . 1 1 158 158 GLU CB C 170 31.277 31.277 30.744 0.533 17614 5338 1 5 . 1 1 158 158 GLU H H 170 8.550 8.550 8.434 0.116 17614 5339 1 5 . 1 1 159 159 GLY N N 171 108.941 108.941 107.458 1.483 17614 5340 1 5 . 1 1 159 159 GLY C C 171 174.433 174.433 175.246 -0.813 17614 5341 1 5 . 1 1 159 159 GLY CA C 171 45.193 45.193 44.540 0.653 17614 5342 1 5 . 1 1 159 159 GLY H H 171 7.881 7.881 7.605 0.276 17614 5343 1 5 . 1 1 160 160 ILE N N 172 120.842 120.842 120.918 -0.076 17614 5344 1 5 . 1 1 160 160 ILE C C 172 176.997 176.997 177.803 -0.806 17614 5345 1 5 . 1 1 160 160 ILE CA C 172 63.810 63.810 63.775 0.035 17614 5346 1 5 . 1 1 160 160 ILE CB C 172 38.516 38.516 38.082 0.434 17614 5347 1 5 . 1 1 160 160 ILE H H 172 8.550 8.550 8.407 0.143 17614 5348 1 5 . 1 1 161 161 ARG N N 173 119.480 119.480 121.029 -1.549 17614 5349 1 5 . 1 1 161 161 ARG C C 173 178.084 178.084 178.587 -0.503 17614 5350 1 5 . 1 1 161 161 ARG CA C 173 58.711 58.711 59.187 -0.476 17614 5351 1 5 . 1 1 161 161 ARG CB C 173 29.796 29.796 29.714 0.082 17614 5352 1 5 . 1 1 161 161 ARG H H 173 8.277 8.277 8.536 -0.259 17614 5353 1 5 . 1 1 162 162 GLY N N 174 106.379 106.379 107.205 -0.826 17614 5354 1 5 . 1 1 162 162 GLY C C 174 175.210 175.210 176.014 -0.804 17614 5355 1 5 . 1 1 162 162 GLY CA C 174 46.767 46.767 46.749 0.018 17614 5356 1 5 . 1 1 162 162 GLY H H 174 7.690 7.690 8.318 -0.628 17614 5357 1 5 . 1 1 163 163 LEU N N 175 120.664 120.664 121.728 -1.064 17614 5358 1 5 . 1 1 163 163 LEU C C 175 177.971 177.971 178.278 -0.307 17614 5359 1 5 . 1 1 163 163 LEU CA C 175 57.104 57.104 57.221 -0.117 17614 5360 1 5 . 1 1 163 163 LEU CB C 175 42.559 42.559 41.866 0.693 17614 5361 1 5 . 1 1 163 163 LEU H H 175 7.554 7.554 7.237 0.317 17614 5362 1 5 . 1 1 164 164 TRP N N 176 117.031 117.031 117.806 -0.775 17614 5363 1 5 . 1 1 164 164 TRP C C 176 176.987 176.987 177.781 -0.794 17614 5364 1 5 . 1 1 164 164 TRP CA C 176 57.672 57.672 59.183 -1.511 17614 5365 1 5 . 1 1 164 164 TRP CB C 176 29.796 29.796 29.012 0.784 17614 5366 1 5 . 1 1 164 164 TRP H H 176 7.499 7.499 7.856 -0.357 17614 5367 1 5 . 1 1 165 165 LYS N N 177 120.567 120.567 120.018 0.549 17614 5368 1 5 . 1 1 165 165 LYS C C 177 177.152 177.152 177.881 -0.729 17614 5369 1 5 . 1 1 165 165 LYS CA C 177 57.712 57.712 59.374 -1.662 17614 5370 1 5 . 1 1 165 165 LYS CB C 177 32.890 32.890 32.058 0.832 17614 5371 1 5 . 1 1 165 165 LYS H H 177 7.595 7.595 7.436 0.159 17614 5372 1 5 . 1 1 166 166 GLY N N 178 108.667 108.667 103.783 4.884 17614 5373 1 5 . 1 1 166 166 GLY C C 178 174.045 174.045 175.821 -1.776 17614 5374 1 5 . 1 1 166 166 GLY CA C 178 45.893 45.893 45.386 0.507 17614 5375 1 5 . 1 1 166 166 GLY H H 178 7.881 7.881 8.097 -0.216 17614 5376 1 5 . 1 1 167 167 THR N N 179 115.080 115.080 118.786 -3.706 17614 5377 1 5 . 1 1 167 167 THR C C 179 175.192 175.192 176.273 -1.081 17614 5378 1 5 . 1 1 167 167 THR CA C 179 66.521 66.521 67.497 -0.976 17614 5379 1 5 . 1 1 167 167 THR CB C 179 70.079 70.079 68.346 1.733 17614 5380 1 5 . 1 1 167 167 THR H H 179 7.622 7.622 7.634 -0.012 17614 5381 1 5 . 1 1 168 168 SER N N 180 117.754 117.754 116.564 1.190 17614 5382 1 5 . 1 1 168 168 SER CA C 180 63.123 63.123 63.364 -0.241 17614 5383 1 5 . 1 1 168 168 SER CB C 180 62.045 62.045 61.769 0.276 17614 5384 1 5 . 1 1 168 168 SER H H 180 8.195 8.195 7.944 0.251 17614 5385 1 5 . 1 1 170 170 ASN C C 182 177.348 177.348 177.610 -0.262 17614 5386 1 5 . 1 1 171 171 VAL N N 183 118.118 118.118 120.112 -1.994 17614 5387 1 5 . 1 1 171 171 VAL C C 183 176.944 176.944 177.486 -0.542 17614 5388 1 5 . 1 1 171 171 VAL CA C 183 65.244 65.244 66.523 -1.279 17614 5389 1 5 . 1 1 171 171 VAL CB C 183 32.508 32.508 31.696 0.812 17614 5390 1 5 . 1 1 171 171 VAL H H 183 7.861 7.861 7.553 0.308 17614 5391 1 5 . 1 1 172 172 ALA N N 184 122.284 122.284 121.766 0.518 17614 5392 1 5 . 1 1 172 172 ALA C C 184 178.317 178.317 179.203 -0.886 17614 5393 1 5 . 1 1 172 172 ALA CA C 184 55.339 55.339 55.305 0.034 17614 5394 1 5 . 1 1 172 172 ALA CB C 184 28.230 28.230 18.055 10.175 17614 5395 1 5 . 1 1 172 172 ALA H H 184 8.097 8.097 7.638 0.459 17614 5396 1 5 . 1 1 173 173 ARG N N 185 117.321 117.321 119.274 -1.953 17614 5397 1 5 . 1 1 173 173 ARG C C 185 177.527 177.527 178.309 -0.782 17614 5398 1 5 . 1 1 173 173 ARG CA C 185 59.543 59.543 59.219 0.324 17614 5399 1 5 . 1 1 173 173 ARG CB C 185 29.767 29.767 29.870 -0.103 17614 5400 1 5 . 1 1 173 173 ARG H H 185 7.611 7.611 8.112 -0.501 17614 5401 1 5 . 1 1 174 174 ASN N N 186 117.294 117.294 117.735 -0.441 17614 5402 1 5 . 1 1 174 174 ASN C C 186 176.599 176.599 177.457 -0.858 17614 5403 1 5 . 1 1 174 174 ASN CA C 186 56.659 56.659 56.465 0.195 17614 5404 1 5 . 1 1 174 174 ASN CB C 186 39.454 39.454 38.370 1.085 17614 5405 1 5 . 1 1 174 174 ASN H H 186 8.048 8.048 7.780 0.268 17614 5406 1 5 . 1 1 175 175 ALA N N 187 121.003 121.003 123.474 -2.471 17614 5407 1 5 . 1 1 175 175 ALA C C 187 178.713 178.713 179.474 -0.761 17614 5408 1 5 . 1 1 175 175 ALA CA C 187 55.520 55.520 55.006 0.514 17614 5409 1 5 . 1 1 175 175 ALA CB C 187 18.097 18.097 18.619 -0.522 17614 5410 1 5 . 1 1 175 175 ALA H H 187 7.322 7.322 7.711 -0.389 17614 5411 1 5 . 1 1 176 176 ILE N N 188 119.319 119.319 118.864 0.455 17614 5412 1 5 . 1 1 176 176 ILE C C 188 176.634 176.634 178.063 -1.429 17614 5413 1 5 . 1 1 176 176 ILE CA C 188 64.225 64.225 64.520 -0.295 17614 5414 1 5 . 1 1 176 176 ILE CB C 188 37.658 37.658 37.138 0.520 17614 5415 1 5 . 1 1 176 176 ILE H H 188 7.779 7.779 8.136 -0.357 17614 5416 1 5 . 1 1 177 177 VAL N N 189 117.265 117.265 118.111 -0.846 17614 5417 1 5 . 1 1 177 177 VAL C C 189 177.529 177.529 177.661 -0.132 17614 5418 1 5 . 1 1 177 177 VAL CA C 189 65.562 65.562 66.352 -0.790 17614 5419 1 5 . 1 1 177 177 VAL CB C 189 31.407 31.407 30.817 0.590 17614 5420 1 5 . 1 1 177 177 VAL H H 189 7.776 7.776 8.055 -0.279 17614 5421 1 5 . 1 1 178 178 ASN N N 190 118.736 118.736 119.179 -0.443 17614 5422 1 5 . 1 1 178 178 ASN C C 190 176.476 176.476 177.085 -0.609 17614 5423 1 5 . 1 1 178 178 ASN CA C 190 56.813 56.813 55.972 0.841 17614 5424 1 5 . 1 1 178 178 ASN CB C 190 38.268 38.268 37.531 0.737 17614 5425 1 5 . 1 1 178 178 ASN H H 190 7.800 7.800 7.834 -0.034 17614 5426 1 5 . 1 1 179 179 CYS N N 191 120.152 120.152 119.790 0.362 17614 5427 1 5 . 1 1 179 179 CYS C C 191 175.831 175.831 176.549 -0.718 17614 5428 1 5 . 1 1 179 179 CYS CA C 191 60.293 60.293 62.970 -2.677 17614 5429 1 5 . 1 1 179 179 CYS CB C 191 41.566 41.566 26.992 14.574 17614 5430 1 5 . 1 1 179 179 CYS H H 191 7.784 7.784 7.746 0.038 17614 5431 1 5 . 1 1 180 180 ALA N N 192 121.963 121.963 122.202 -0.239 17614 5432 1 5 . 1 1 180 180 ALA C C 192 178.395 178.395 179.567 -1.172 17614 5433 1 5 . 1 1 180 180 ALA CA C 192 55.280 55.280 55.381 -0.101 17614 5434 1 5 . 1 1 180 180 ALA CB C 192 18.008 18.008 18.225 -0.217 17614 5435 1 5 . 1 1 180 180 ALA H H 192 8.141 8.141 8.732 -0.591 17614 5436 1 5 . 1 1 181 181 GLU N N 193 114.548 114.548 119.562 -5.014 17614 5437 1 5 . 1 1 181 181 GLU C C 193 176.764 176.764 178.742 -1.978 17614 5438 1 5 . 1 1 181 181 GLU CA C 193 58.262 58.262 59.430 -1.168 17614 5439 1 5 . 1 1 181 181 GLU CB C 193 29.342 29.342 29.399 -0.057 17614 5440 1 5 . 1 1 181 181 GLU H H 193 7.595 7.595 8.451 -0.856 17614 5441 1 5 . 1 1 182 182 LEU N N 194 117.659 117.659 120.289 -2.630 17614 5442 1 5 . 1 1 182 182 LEU C C 194 176.904 176.904 178.494 -1.590 17614 5443 1 5 . 1 1 182 182 LEU CA C 194 55.695 55.695 58.246 -2.551 17614 5444 1 5 . 1 1 182 182 LEU CB C 194 41.655 41.655 41.976 -0.321 17614 5445 1 5 . 1 1 182 182 LEU H H 194 7.459 7.459 8.037 -0.578 17614 5446 1 5 . 1 1 183 183 VAL N N 195 117.842 117.842 115.934 1.908 17614 5447 1 5 . 1 1 183 183 VAL C C 195 177.150 177.150 177.851 -0.701 17614 5448 1 5 . 1 1 183 183 VAL CA C 195 64.054 64.054 65.989 -1.935 17614 5449 1 5 . 1 1 183 183 VAL CB C 195 31.079 31.079 30.927 0.152 17614 5450 1 5 . 1 1 183 183 VAL H H 195 7.363 7.363 7.372 -0.009 17614 5451 1 5 . 1 1 184 184 THR N N 196 122.439 122.439 117.318 5.121 17614 5452 1 5 . 1 1 184 184 THR C C 196 175.055 175.055 176.513 -1.458 17614 5453 1 5 . 1 1 184 184 THR CA C 196 65.500 65.500 66.788 -1.288 17614 5454 1 5 . 1 1 184 184 THR CB C 196 69.490 69.490 68.750 0.740 17614 5455 1 5 . 1 1 184 184 THR H H 196 7.940 7.940 7.803 0.137 17614 5456 1 5 . 1 1 185 185 TYR N N 197 122.430 122.430 122.210 0.220 17614 5457 1 5 . 1 1 185 185 TYR C C 197 177.152 177.152 176.980 0.172 17614 5458 1 5 . 1 1 185 185 TYR CA C 197 61.892 61.892 61.694 0.198 17614 5459 1 5 . 1 1 185 185 TYR CB C 197 38.085 38.085 38.596 -0.511 17614 5460 1 5 . 1 1 185 185 TYR H H 197 9.123 9.123 8.889 0.234 17614 5461 1 5 . 1 1 186 186 ASP N N 198 117.750 117.750 119.398 -1.648 17614 5462 1 5 . 1 1 186 186 ASP C C 198 177.696 177.696 178.416 -0.720 17614 5463 1 5 . 1 1 186 186 ASP CA C 198 57.822 57.822 57.280 0.542 17614 5464 1 5 . 1 1 186 186 ASP CB C 198 40.500 40.500 40.460 0.040 17614 5465 1 5 . 1 1 186 186 ASP H H 198 8.263 8.263 7.868 0.395 17614 5466 1 5 . 1 1 187 187 LEU N N 199 120.698 120.698 118.617 2.081 17614 5467 1 5 . 1 1 187 187 LEU C C 199 180.104 180.104 179.108 0.996 17614 5468 1 5 . 1 1 187 187 LEU CA C 199 58.092 58.092 57.782 0.310 17614 5469 1 5 . 1 1 187 187 LEU CB C 199 42.559 42.559 41.463 1.096 17614 5470 1 5 . 1 1 187 187 LEU H H 199 7.636 7.636 7.534 0.102 17614 5471 1 5 . 1 1 188 188 ILE N N 200 121.136 121.136 118.531 2.605 17614 5472 1 5 . 1 1 188 188 ILE C C 200 176.919 176.919 177.458 -0.539 17614 5473 1 5 . 1 1 188 188 ILE CA C 200 65.482 65.482 63.292 2.190 17614 5474 1 5 . 1 1 188 188 ILE CB C 200 37.949 37.949 36.660 1.289 17614 5475 1 5 . 1 1 188 188 ILE H H 200 7.718 7.718 7.305 0.413 17614 5476 1 5 . 1 1 189 189 LYS N N 201 120.587 120.587 118.672 1.915 17614 5477 1 5 . 1 1 189 189 LYS C C 201 177.696 177.696 178.484 -0.788 17614 5478 1 5 . 1 1 189 189 LYS CA C 201 60.683 60.683 59.065 1.618 17614 5479 1 5 . 1 1 189 189 LYS CB C 201 31.809 31.809 32.526 -0.717 17614 5480 1 5 . 1 1 189 189 LYS H H 201 8.291 8.291 7.540 0.751 17614 5481 1 5 . 1 1 190 190 ASP N N 202 117.936 117.936 116.928 1.008 17614 5482 1 5 . 1 1 190 190 ASP C C 202 178.395 178.395 176.570 1.825 17614 5483 1 5 . 1 1 190 190 ASP CA C 202 57.672 57.672 56.371 1.301 17614 5484 1 5 . 1 1 190 190 ASP CB C 202 41.355 41.355 41.203 0.152 17614 5485 1 5 . 1 1 190 190 ASP H H 202 8.182 8.182 7.704 0.478 17614 5486 1 5 . 1 1 191 191 THR N N 203 115.914 115.914 114.434 1.480 17614 5487 1 5 . 1 1 191 191 THR CA C 203 61.190 61.190 62.441 -1.251 17614 5488 1 5 . 1 1 191 191 THR CB C 203 68.738 68.738 69.401 -0.663 17614 5489 1 5 . 1 1 191 191 THR H H 203 7.690 7.690 7.590 0.100 17614 5490 1 5 . 1 1 192 192 LEU C C 204 176.047 176.047 175.635 0.412 17614 5491 1 5 . 1 1 192 192 LEU H H 204 8.051 8.051 8.797 -0.746 17614 5492 1 5 . 1 1 193 193 LEU N N 205 118.768 118.768 117.869 0.899 17614 5493 1 5 . 1 1 193 193 LEU C C 205 179.871 179.871 176.220 3.651 17614 5494 1 5 . 1 1 193 193 LEU CA C 205 55.867 55.867 53.978 1.889 17614 5495 1 5 . 1 1 193 193 LEU CB C 205 41.887 41.887 41.714 0.173 17614 5496 1 5 . 1 1 193 193 LEU H H 205 7.977 7.977 7.672 0.305 17614 5497 1 5 . 1 1 194 194 LYS N N 206 119.775 119.775 120.454 -0.679 17614 5498 1 5 . 1 1 194 194 LYS C C 206 177.318 177.318 177.221 0.097 17614 5499 1 5 . 1 1 194 194 LYS CA C 206 58.461 58.461 57.918 0.543 17614 5500 1 5 . 1 1 194 194 LYS CB C 206 32.734 32.734 32.599 0.135 17614 5501 1 5 . 1 1 194 194 LYS H H 206 7.677 7.677 8.186 -0.509 17614 5502 1 5 . 1 1 195 195 ALA N N 207 120.757 120.757 120.640 0.117 17614 5503 1 5 . 1 1 195 195 ALA C C 207 176.531 176.531 176.149 0.382 17614 5504 1 5 . 1 1 195 195 ALA CA C 207 53.083 53.083 52.745 0.338 17614 5505 1 5 . 1 1 195 195 ALA CB C 207 18.960 18.960 19.235 -0.276 17614 5506 1 5 . 1 1 195 195 ALA H H 207 7.565 7.565 8.001 -0.436 17614 5507 1 5 . 1 1 196 196 ASN N N 208 115.463 115.463 113.971 1.492 17614 5508 1 5 . 1 1 196 196 ASN C C 208 174.822 174.822 175.418 -0.596 17614 5509 1 5 . 1 1 196 196 ASN CA C 208 54.351 54.351 52.633 1.718 17614 5510 1 5 . 1 1 196 196 ASN CB C 208 38.160 38.160 36.359 1.801 17614 5511 1 5 . 1 1 196 196 ASN H H 208 7.936 7.936 7.682 0.254 17614 5512 1 5 . 1 1 200 200 ASP C C 212 174.735 174.735 175.866 -1.131 17614 5513 1 5 . 1 1 201 201 ASP N N 213 116.363 116.363 123.460 -7.097 17614 5514 1 5 . 1 1 201 201 ASP C C 213 175.553 175.553 175.842 -0.289 17614 5515 1 5 . 1 1 201 201 ASP CA C 213 54.890 54.890 54.298 0.592 17614 5516 1 5 . 1 1 201 201 ASP CB C 213 38.846 38.846 41.437 -2.591 17614 5517 1 5 . 1 1 201 201 ASP H H 213 8.129 8.129 8.407 -0.278 17614 5518 1 5 . 1 1 202 202 LEU N N 214 119.486 119.486 122.315 -2.829 17614 5519 1 5 . 1 1 202 202 LEU CA C 214 59.766 59.766 58.935 0.831 17614 5520 1 5 . 1 1 202 202 LEU CB C 214 39.579 39.579 39.633 -0.054 17614 5521 1 5 . 1 1 202 202 LEU H H 214 7.821 7.821 8.633 -0.812 17614 5522 1 5 . 1 1 203 203 PRO C C 215 177.971 177.971 178.926 -0.955 17614 5523 1 5 . 1 1 203 203 PRO CA C 215 65.938 65.938 65.981 -0.043 17614 5524 1 5 . 1 1 203 203 PRO CB C 215 30.006 30.006 31.104 -1.098 17614 5525 1 5 . 1 1 204 204 CYS N N 216 114.211 114.211 114.897 -0.686 17614 5526 1 5 . 1 1 204 204 CYS C C 216 176.142 176.142 176.573 -0.431 17614 5527 1 5 . 1 1 204 204 CYS CA C 216 58.773 58.773 63.589 -4.816 17614 5528 1 5 . 1 1 204 204 CYS CB C 216 40.906 40.906 27.653 13.253 17614 5529 1 5 . 1 1 204 204 CYS H H 216 8.269 8.269 8.110 0.159 17614 5530 1 5 . 1 1 205 205 HIS N N 217 120.491 120.491 120.279 0.212 17614 5531 1 5 . 1 1 205 205 HIS C C 217 176.747 176.747 176.943 -0.196 17614 5532 1 5 . 1 1 205 205 HIS CA C 217 57.198 57.198 58.986 -1.788 17614 5533 1 5 . 1 1 205 205 HIS CB C 217 29.886 29.886 30.020 -0.134 17614 5534 1 5 . 1 1 205 205 HIS H H 217 7.301 7.301 7.709 -0.408 17614 5535 1 5 . 1 1 206 206 PHE N N 218 120.501 120.501 118.901 1.600 17614 5536 1 5 . 1 1 206 206 PHE C C 218 176.187 176.187 177.748 -1.561 17614 5537 1 5 . 1 1 206 206 PHE CA C 218 59.045 59.045 62.257 -3.212 17614 5538 1 5 . 1 1 206 206 PHE CB C 218 38.901 38.901 38.847 0.054 17614 5539 1 5 . 1 1 206 206 PHE H H 218 8.127 8.127 8.152 -0.025 17614 5540 1 5 . 1 1 207 207 THR N N 219 112.682 112.682 115.088 -2.406 17614 5541 1 5 . 1 1 207 207 THR C C 219 175.997 175.997 176.878 -0.881 17614 5542 1 5 . 1 1 207 207 THR CA C 219 64.319 64.319 66.757 -2.438 17614 5543 1 5 . 1 1 207 207 THR CB C 219 63.282 63.282 68.244 -4.962 17614 5544 1 5 . 1 1 207 207 THR H H 219 7.977 7.977 7.738 0.239 17614 5545 1 5 . 1 1 208 208 SER N N 220 117.589 117.589 117.320 0.269 17614 5546 1 5 . 1 1 208 208 SER C C 220 175.055 175.055 176.318 -1.263 17614 5547 1 5 . 1 1 208 208 SER CA C 220 61.344 61.344 61.437 -0.093 17614 5548 1 5 . 1 1 208 208 SER CB C 220 63.440 63.440 63.021 0.419 17614 5549 1 5 . 1 1 208 208 SER H H 220 8.004 8.004 7.720 0.284 17614 5550 1 5 . 1 1 209 209 ALA N N 221 123.860 123.860 124.551 -0.691 17614 5551 1 5 . 1 1 209 209 ALA C C 221 177.618 177.618 179.275 -1.657 17614 5552 1 5 . 1 1 209 209 ALA CA C 221 53.932 53.932 55.060 -1.128 17614 5553 1 5 . 1 1 209 209 ALA CB C 221 18.891 18.891 18.083 0.808 17614 5554 1 5 . 1 1 209 209 ALA H H 221 7.704 7.704 8.020 -0.316 17614 5555 1 5 . 1 1 210 210 PHE N N 222 116.073 116.073 119.982 -3.909 17614 5556 1 5 . 1 1 210 210 PHE C C 222 176.142 176.142 177.621 -1.479 17614 5557 1 5 . 1 1 210 210 PHE CA C 222 58.271 58.271 61.761 -3.490 17614 5558 1 5 . 1 1 210 210 PHE CB C 222 39.554 39.554 39.112 0.442 17614 5559 1 5 . 1 1 210 210 PHE H H 222 7.718 7.718 8.467 -0.749 17614 5560 1 5 . 1 1 211 211 GLY N N 223 108.578 108.578 106.234 2.344 17614 5561 1 5 . 1 1 211 211 GLY C C 223 173.889 173.889 175.574 -1.685 17614 5562 1 5 . 1 1 211 211 GLY CA C 223 45.993 45.993 47.065 -1.072 17614 5563 1 5 . 1 1 211 211 GLY H H 223 7.909 7.909 8.093 -0.184 17614 5564 1 5 . 1 1 212 212 ALA N N 224 123.322 123.322 124.936 -1.614 17614 5565 1 5 . 1 1 212 212 ALA C C 224 178.550 178.550 179.634 -1.084 17614 5566 1 5 . 1 1 212 212 ALA CA C 224 53.608 53.608 54.520 -0.912 17614 5567 1 5 . 1 1 212 212 ALA CB C 224 19.069 19.069 18.382 0.687 17614 5568 1 5 . 1 1 212 212 ALA H H 224 8.018 8.018 7.942 0.076 17614 5569 1 5 . 1 1 213 213 GLY N N 225 107.935 107.935 107.620 0.315 17614 5570 1 5 . 1 1 213 213 GLY C C 225 175.389 175.389 175.538 -0.149 17614 5571 1 5 . 1 1 213 213 GLY CA C 225 46.967 46.967 46.805 0.162 17614 5572 1 5 . 1 1 213 213 GLY H H 225 8.304 8.304 8.601 -0.297 17614 5573 1 5 . 1 1 214 214 PHE N N 226 122.440 122.440 122.782 -0.342 17614 5574 1 5 . 1 1 214 214 PHE C C 226 176.998 176.998 177.014 -0.016 17614 5575 1 5 . 1 1 214 214 PHE CA C 226 60.673 60.673 60.412 0.261 17614 5576 1 5 . 1 1 214 214 PHE CB C 226 38.319 38.319 39.614 -1.295 17614 5577 1 5 . 1 1 214 214 PHE H H 226 8.045 8.045 7.882 0.163 17614 5578 1 5 . 1 1 215 215 CYS N N 227 116.562 116.562 118.865 -2.303 17614 5579 1 5 . 1 1 215 215 CYS CA C 227 61.301 61.301 61.481 -0.180 17614 5580 1 5 . 1 1 215 215 CYS CB C 227 41.286 41.286 26.997 14.289 17614 5581 1 5 . 1 1 215 215 CYS H H 227 8.016 8.016 7.752 0.264 17614 5582 1 5 . 1 1 216 216 THR C C 228 176.437 176.437 176.393 0.044 17614 5583 1 5 . 1 1 216 216 THR H H 228 8.410 8.410 8.605 -0.195 17614 5584 1 5 . 1 1 217 217 THR N N 229 115.234 115.234 116.251 -1.017 17614 5585 1 5 . 1 1 217 217 THR C C 229 176.749 176.749 176.461 0.288 17614 5586 1 5 . 1 1 217 217 THR CA C 229 65.980 65.980 65.957 0.023 17614 5587 1 5 . 1 1 217 217 THR CB C 229 67.443 67.443 67.692 -0.248 17614 5588 1 5 . 1 1 217 217 THR H H 229 8.188 8.188 8.053 0.135 17614 5589 1 5 . 1 1 218 218 VAL N N 230 120.723 120.723 121.043 -0.320 17614 5590 1 5 . 1 1 218 218 VAL C C 230 177.983 177.983 176.975 1.008 17614 5591 1 5 . 1 1 218 218 VAL CA C 230 66.832 66.832 65.717 1.115 17614 5592 1 5 . 1 1 218 218 VAL CB C 230 31.168 31.168 31.343 -0.175 17614 5593 1 5 . 1 1 218 218 VAL H H 230 8.027 8.027 7.176 0.851 17614 5594 1 5 . 1 1 219 219 ILE N N 231 120.541 120.541 118.517 2.024 17614 5595 1 5 . 1 1 219 219 ILE C C 231 177.368 177.368 177.151 0.217 17614 5596 1 5 . 1 1 219 219 ILE CA C 231 65.575 65.575 63.111 2.464 17614 5597 1 5 . 1 1 219 219 ILE CB C 231 37.722 37.722 38.289 -0.567 17614 5598 1 5 . 1 1 219 219 ILE H H 231 8.458 8.458 7.222 1.236 17614 5599 1 5 . 1 1 220 220 ALA N N 232 122.766 122.766 122.132 0.634 17614 5600 1 5 . 1 1 220 220 ALA C C 232 178.847 178.847 179.403 -0.556 17614 5601 1 5 . 1 1 220 220 ALA CA C 232 55.252 55.252 55.036 0.216 17614 5602 1 5 . 1 1 220 220 ALA CB C 232 17.874 17.874 18.123 -0.249 17614 5603 1 5 . 1 1 220 220 ALA H H 232 8.589 8.589 7.919 0.670 17614 5604 1 5 . 1 1 221 221 SER N N 233 113.387 113.387 114.219 -0.832 17614 5605 1 5 . 1 1 221 221 SER CA C 233 62.348 62.348 62.849 -0.501 17614 5606 1 5 . 1 1 221 221 SER CB C 233 61.630 61.630 61.876 -0.246 17614 5607 1 5 . 1 1 221 221 SER H H 233 8.218 8.218 8.464 -0.246 17614 5608 1 5 . 1 1 222 222 PRO C C 234 178.221 178.221 178.714 -0.493 17614 5609 1 5 . 1 1 223 223 VAL N N 235 116.087 116.087 118.318 -2.231 17614 5610 1 5 . 1 1 223 223 VAL C C 235 177.089 177.089 177.103 -0.014 17614 5611 1 5 . 1 1 223 223 VAL CA C 235 65.072 65.072 65.662 -0.590 17614 5612 1 5 . 1 1 223 223 VAL CB C 235 31.084 31.084 31.822 -0.738 17614 5613 1 5 . 1 1 223 223 VAL H H 235 8.142 8.142 7.522 0.620 17614 5614 1 5 . 1 1 224 224 ASP N N 236 121.556 121.556 119.675 1.881 17614 5615 1 5 . 1 1 224 224 ASP C C 236 177.422 177.422 178.233 -0.811 17614 5616 1 5 . 1 1 224 224 ASP CA C 236 57.135 57.135 57.409 -0.274 17614 5617 1 5 . 1 1 224 224 ASP CB C 236 40.065 40.065 40.922 -0.857 17614 5618 1 5 . 1 1 224 224 ASP H H 236 7.932 7.932 7.583 0.349 17614 5619 1 5 . 1 1 225 225 VAL N N 237 117.233 117.233 118.069 -0.836 17614 5620 1 5 . 1 1 225 225 VAL CA C 237 64.977 64.977 65.947 -0.970 17614 5621 1 5 . 1 1 225 225 VAL CB C 237 31.013 31.013 31.138 -0.125 17614 5622 1 5 . 1 1 225 225 VAL H H 237 7.710 7.710 7.796 -0.086 17614 5623 1 5 . 1 1 226 226 VAL C C 238 177.584 177.584 177.018 0.566 17614 5624 1 5 . 1 1 226 226 VAL H H 238 7.607 7.607 7.417 0.190 17614 5625 1 5 . 1 1 227 227 LYS N N 239 120.095 120.095 118.294 1.801 17614 5626 1 5 . 1 1 227 227 LYS C C 239 178.678 178.678 178.662 0.016 17614 5627 1 5 . 1 1 227 227 LYS CA C 239 58.483 58.483 58.919 -0.436 17614 5628 1 5 . 1 1 227 227 LYS CB C 239 31.863 31.863 32.182 -0.319 17614 5629 1 5 . 1 1 227 227 LYS H H 239 7.761 7.761 7.318 0.443 17614 5630 1 5 . 1 1 228 228 THR N N 240 115.247 115.247 114.119 1.128 17614 5631 1 5 . 1 1 228 228 THR C C 240 175.093 175.093 175.196 -0.103 17614 5632 1 5 . 1 1 228 228 THR CA C 240 66.458 66.458 64.001 2.457 17614 5633 1 5 . 1 1 228 228 THR CB C 240 68.011 68.011 69.217 -1.206 17614 5634 1 5 . 1 1 228 228 THR H H 240 7.761 7.761 7.478 0.283 17614 5635 1 5 . 1 1 229 229 ARG N N 241 119.633 119.633 120.955 -1.322 17614 5636 1 5 . 1 1 229 229 ARG CA C 241 57.133 57.133 58.032 -0.900 17614 5637 1 5 . 1 1 229 229 ARG CB C 241 31.218 31.218 30.606 0.612 17614 5638 1 5 . 1 1 229 229 ARG H H 241 7.383 7.383 7.694 -0.311 17614 5639 1 5 . 1 1 230 230 TYR C C 242 174.956 174.956 174.354 0.602 17614 5640 1 5 . 1 1 230 230 TYR H H 242 8.699 8.699 8.207 0.492 17614 5641 1 5 . 1 1 231 231 MET N N 243 118.458 118.458 121.013 -2.555 17614 5642 1 5 . 1 1 231 231 MET C C 243 175.676 175.676 174.934 0.742 17614 5643 1 5 . 1 1 231 231 MET CA C 243 54.417 54.417 56.097 -1.680 17614 5644 1 5 . 1 1 231 231 MET H H 243 7.442 7.442 8.403 -0.961 17614 5645 1 5 . 1 1 232 232 ASN N N 244 116.369 116.369 118.359 -1.990 17614 5646 1 5 . 1 1 232 232 ASN C C 244 174.919 174.919 174.445 0.474 17614 5647 1 5 . 1 1 232 232 ASN CA C 244 59.470 59.470 52.548 6.922 17614 5648 1 5 . 1 1 232 232 ASN CB C 244 39.079 39.079 39.459 -0.380 17614 5649 1 5 . 1 1 232 232 ASN H H 244 7.772 7.772 8.248 -0.476 17614 5650 1 5 . 1 1 233 233 SER N N 245 114.568 114.568 119.649 -5.081 17614 5651 1 5 . 1 1 233 233 SER C C 245 175.695 175.695 174.048 1.647 17614 5652 1 5 . 1 1 233 233 SER CA C 245 53.852 53.852 60.355 -6.503 17614 5653 1 5 . 1 1 233 233 SER CB C 245 61.232 61.232 62.527 -1.295 17614 5654 1 5 . 1 1 233 233 SER H H 245 8.475 8.475 8.871 -0.396 17614 5655 1 5 . 1 1 234 234 ALA N N 246 127.283 127.283 119.375 7.908 17614 5656 1 5 . 1 1 234 234 ALA C C 246 177.128 177.128 176.777 0.351 17614 5657 1 5 . 1 1 234 234 ALA CA C 246 56.803 56.803 52.298 4.505 17614 5658 1 5 . 1 1 234 234 ALA CB C 246 18.901 18.901 18.236 0.665 17614 5659 1 5 . 1 1 234 234 ALA H H 246 7.929 7.929 8.237 -0.308 17614 5660 1 5 . 1 1 235 235 LEU N N 247 118.112 118.112 120.861 -2.749 17614 5661 1 5 . 1 1 235 235 LEU C C 247 176.723 176.723 178.320 -1.597 17614 5662 1 5 . 1 1 235 235 LEU CA C 247 54.156 54.156 55.701 -1.545 17614 5663 1 5 . 1 1 235 235 LEU CB C 247 41.215 41.215 41.490 -0.275 17614 5664 1 5 . 1 1 235 235 LEU H H 247 7.922 7.922 8.302 -0.380 17614 5665 1 5 . 1 1 236 236 GLY N N 248 107.203 107.203 104.469 2.734 17614 5666 1 5 . 1 1 236 236 GLY CA C 248 44.558 44.558 45.570 -1.012 17614 5667 1 5 . 1 1 236 236 GLY H H 248 8.318 8.318 8.103 0.215 17614 5668 1 5 . 1 1 238 238 TYR C C 250 175.942 175.942 175.518 0.424 17614 5669 1 5 . 1 1 238 238 TYR H H 250 8.134 8.134 8.063 0.071 17614 5670 1 5 . 1 1 239 239 HIS N N 251 123.281 123.281 118.477 4.804 17614 5671 1 5 . 1 1 239 239 HIS C C 251 174.531 174.531 175.374 -0.843 17614 5672 1 5 . 1 1 239 239 HIS CA C 251 58.931 58.931 57.957 0.974 17614 5673 1 5 . 1 1 239 239 HIS CB C 251 29.525 29.525 30.038 -0.513 17614 5674 1 5 . 1 1 239 239 HIS H H 251 8.184 8.184 8.118 0.066 17614 5675 1 5 . 1 1 240 240 SER N N 252 110.038 110.038 111.354 -1.316 17614 5676 1 5 . 1 1 240 240 SER C C 252 174.429 174.429 173.725 0.704 17614 5677 1 5 . 1 1 240 240 SER CA C 252 57.452 57.452 56.565 0.887 17614 5678 1 5 . 1 1 240 240 SER CB C 252 65.022 65.022 65.031 -0.009 17614 5679 1 5 . 1 1 240 240 SER H H 252 8.010 8.010 7.512 0.498 17614 5680 1 5 . 1 1 241 241 ALA N N 253 123.034 123.034 124.732 -1.698 17614 5681 1 5 . 1 1 241 241 ALA C C 253 179.249 179.249 179.343 -0.094 17614 5682 1 5 . 1 1 241 241 ALA CA C 253 54.981 54.981 54.977 0.004 17614 5683 1 5 . 1 1 241 241 ALA CB C 253 19.069 19.069 18.894 0.175 17614 5684 1 5 . 1 1 241 241 ALA H H 253 8.034 8.034 8.709 -0.674 17614 5685 1 5 . 1 1 242 242 GLY N N 254 106.379 106.379 106.622 -0.243 17614 5686 1 5 . 1 1 242 242 GLY C C 254 174.433 174.433 175.550 -1.117 17614 5687 1 5 . 1 1 242 242 GLY CA C 254 47.615 47.615 46.743 0.872 17614 5688 1 5 . 1 1 242 242 GLY H H 254 8.427 8.427 8.456 -0.029 17614 5689 1 5 . 1 1 243 243 HIS N N 255 121.119 121.119 122.429 -1.310 17614 5690 1 5 . 1 1 243 243 HIS C C 255 178.084 178.084 177.112 0.972 17614 5691 1 5 . 1 1 243 243 HIS CA C 255 60.144 60.144 58.995 1.149 17614 5692 1 5 . 1 1 243 243 HIS CB C 255 33.073 33.073 29.832 3.241 17614 5693 1 5 . 1 1 243 243 HIS H H 255 8.304 8.304 8.462 -0.158 17614 5694 1 5 . 1 1 244 244 CYS N N 256 117.946 117.946 117.943 0.003 17614 5695 1 5 . 1 1 244 244 CYS C C 256 175.453 175.453 176.752 -1.299 17614 5696 1 5 . 1 1 244 244 CYS CA C 256 58.668 58.668 61.908 -3.240 17614 5697 1 5 . 1 1 244 244 CYS CB C 256 41.434 41.434 27.346 14.088 17614 5698 1 5 . 1 1 244 244 CYS H H 256 8.168 8.168 7.663 0.505 17614 5699 1 5 . 1 1 245 245 ALA N N 257 123.138 123.138 123.568 -0.430 17614 5700 1 5 . 1 1 245 245 ALA C C 257 179.489 179.489 179.252 0.237 17614 5701 1 5 . 1 1 245 245 ALA CA C 257 54.589 54.589 54.933 -0.344 17614 5702 1 5 . 1 1 245 245 ALA CB C 257 17.675 17.675 18.114 -0.439 17614 5703 1 5 . 1 1 245 245 ALA H H 257 7.932 7.932 7.310 0.622 17614 5704 1 5 . 1 1 246 246 LEU N N 258 119.779 119.779 118.829 0.950 17614 5705 1 5 . 1 1 246 246 LEU C C 258 178.234 178.234 178.942 -0.708 17614 5706 1 5 . 1 1 246 246 LEU CA C 258 56.967 56.967 57.628 -0.661 17614 5707 1 5 . 1 1 246 246 LEU CB C 258 41.067 41.067 40.973 0.094 17614 5708 1 5 . 1 1 246 246 LEU H H 258 7.681 7.681 7.673 0.008 17614 5709 1 5 . 1 1 247 247 THR N N 259 114.552 114.552 113.344 1.208 17614 5710 1 5 . 1 1 247 247 THR C C 259 176.244 176.244 176.618 -0.374 17614 5711 1 5 . 1 1 247 247 THR CA C 259 66.511 66.511 65.759 0.752 17614 5712 1 5 . 1 1 247 247 THR CB C 259 67.274 67.274 68.344 -1.070 17614 5713 1 5 . 1 1 247 247 THR H H 259 7.855 7.855 7.846 0.009 17614 5714 1 5 . 1 1 248 248 MET N N 260 118.862 118.862 121.325 -2.463 17614 5715 1 5 . 1 1 248 248 MET C C 260 177.094 177.094 178.174 -1.080 17614 5716 1 5 . 1 1 248 248 MET CA C 260 58.532 58.532 58.897 -0.365 17614 5717 1 5 . 1 1 248 248 MET CB C 260 32.288 32.288 32.549 -0.261 17614 5718 1 5 . 1 1 248 248 MET H H 260 8.296 8.296 8.353 -0.057 17614 5719 1 5 . 1 1 249 249 LEU N N 261 116.839 116.839 120.454 -3.615 17614 5720 1 5 . 1 1 249 249 LEU C C 261 178.162 178.162 178.137 0.025 17614 5721 1 5 . 1 1 249 249 LEU CA C 261 58.167 58.167 58.019 0.148 17614 5722 1 5 . 1 1 249 249 LEU CB C 261 42.202 42.202 41.819 0.383 17614 5723 1 5 . 1 1 249 249 LEU H H 261 8.053 8.053 8.150 -0.097 17614 5724 1 5 . 1 1 250 250 ARG N N 262 116.821 116.821 117.683 -0.862 17614 5725 1 5 . 1 1 250 250 ARG CA C 262 58.761 58.761 59.030 -0.269 17614 5726 1 5 . 1 1 250 250 ARG CB C 262 30.825 30.825 30.453 0.371 17614 5727 1 5 . 1 1 250 250 ARG H H 262 7.827 7.827 7.639 0.188 17614 5728 1 5 . 1 1 254 254 PRO C C 266 177.152 177.152 177.643 -0.491 17614 5729 1 5 . 1 1 254 254 PRO CA C 266 65.152 65.152 63.990 1.162 17614 5730 1 5 . 1 1 255 255 ARG N N 267 117.739 117.739 119.151 -1.412 17614 5731 1 5 . 1 1 255 255 ARG C C 267 177.463 177.463 177.714 -0.251 17614 5732 1 5 . 1 1 255 255 ARG CA C 267 59.335 59.335 58.201 1.134 17614 5733 1 5 . 1 1 255 255 ARG CB C 267 30.185 30.185 28.369 1.816 17614 5734 1 5 . 1 1 255 255 ARG H H 267 8.072 8.072 8.369 -0.297 17614 5735 1 5 . 1 1 256 256 ALA N N 268 121.709 121.709 121.925 -0.216 17614 5736 1 5 . 1 1 256 256 ALA C C 268 179.251 179.251 178.280 0.971 17614 5737 1 5 . 1 1 256 256 ALA CA C 268 54.631 54.631 54.759 -0.128 17614 5738 1 5 . 1 1 256 256 ALA CB C 268 18.683 18.683 18.023 0.660 17614 5739 1 5 . 1 1 256 256 ALA H H 268 7.963 7.963 7.671 0.292 17614 5740 1 5 . 1 1 257 257 PHE N N 269 117.096 117.096 115.961 1.135 17614 5741 1 5 . 1 1 257 257 PHE C C 269 175.987 175.987 177.887 -1.900 17614 5742 1 5 . 1 1 257 257 PHE CA C 269 61.037 61.037 61.111 -0.074 17614 5743 1 5 . 1 1 257 257 PHE CB C 269 38.637 38.637 38.924 -0.287 17614 5744 1 5 . 1 1 257 257 PHE H H 269 7.832 7.832 7.895 -0.063 17614 5745 1 5 . 1 1 258 258 TYR N N 270 118.496 118.496 119.182 -0.686 17614 5746 1 5 . 1 1 258 258 TYR C C 270 176.250 176.250 176.050 0.200 17614 5747 1 5 . 1 1 258 258 TYR CA C 270 60.116 60.116 60.176 -0.060 17614 5748 1 5 . 1 1 258 258 TYR CB C 270 38.882 38.882 38.958 -0.076 17614 5749 1 5 . 1 1 258 258 TYR H H 270 7.813 7.813 7.596 0.217 17614 5750 1 5 . 1 1 259 259 LYS N N 271 119.458 119.458 119.020 0.438 17614 5751 1 5 . 1 1 259 259 LYS C C 271 177.696 177.696 175.264 2.432 17614 5752 1 5 . 1 1 259 259 LYS CA C 271 57.192 57.192 55.910 1.282 17614 5753 1 5 . 1 1 259 259 LYS CB C 271 32.734 32.734 33.563 -0.829 17614 5754 1 5 . 1 1 259 259 LYS H H 271 7.864 7.864 7.943 -0.079 17614 5755 1 5 . 1 1 260 260 GLY N N 272 106.217 106.217 107.928 -1.711 17614 5756 1 5 . 1 1 260 260 GLY C C 272 173.967 173.967 173.006 0.961 17614 5757 1 5 . 1 1 260 260 GLY CA C 272 46.117 46.117 45.431 0.686 17614 5758 1 5 . 1 1 260 260 GLY H H 272 7.622 7.622 8.110 -0.488 17614 5759 1 5 . 1 1 261 261 PHE N N 273 118.847 118.847 116.515 2.332 17614 5760 1 5 . 1 1 261 261 PHE C C 273 175.055 175.055 174.788 0.267 17614 5761 1 5 . 1 1 261 261 PHE CA C 273 57.721 57.721 57.108 0.613 17614 5762 1 5 . 1 1 261 261 PHE CB C 273 40.183 40.183 38.514 1.669 17614 5763 1 5 . 1 1 261 261 PHE H H 273 7.677 7.677 7.400 0.277 17614 5764 1 5 . 1 1 265 265 PHE C C 277 176.602 176.602 177.152 -0.550 17614 5765 1 5 . 1 1 265 265 PHE CA C 277 61.838 61.838 61.773 0.065 17614 5766 1 5 . 1 1 265 265 PHE CB C 277 39.537 39.537 39.281 0.256 17614 5767 1 5 . 1 1 265 265 PHE H H 277 7.695 7.695 8.108 -0.413 17614 5768 1 5 . 1 1 266 266 LEU N N 278 118.465 118.465 119.458 -0.993 17614 5769 1 5 . 1 1 266 266 LEU C C 278 177.152 177.152 178.777 -1.625 17614 5770 1 5 . 1 1 266 266 LEU CA C 278 56.115 56.115 58.041 -1.926 17614 5771 1 5 . 1 1 266 266 LEU CB C 278 42.398 42.398 41.586 0.812 17614 5772 1 5 . 1 1 266 266 LEU H H 278 8.104 8.104 8.365 -0.261 17614 5773 1 5 . 1 1 267 267 ARG N N 279 118.749 118.749 119.976 -1.227 17614 5774 1 5 . 1 1 267 267 ARG C C 279 176.608 176.608 178.702 -2.094 17614 5775 1 5 . 1 1 267 267 ARG CA C 279 56.938 56.938 59.550 -2.612 17614 5776 1 5 . 1 1 267 267 ARG CB C 279 30.659 30.659 30.252 0.407 17614 5777 1 5 . 1 1 267 267 ARG H H 279 7.472 7.472 8.038 -0.566 17614 5778 1 5 . 1 1 268 268 LEU N N 280 120.305 120.305 119.315 0.990 17614 5779 1 5 . 1 1 268 268 LEU C C 280 177.540 177.540 178.708 -1.168 17614 5780 1 5 . 1 1 268 268 LEU CA C 280 57.094 57.094 57.963 -0.869 17614 5781 1 5 . 1 1 268 268 LEU CB C 280 42.027 42.027 41.067 0.960 17614 5782 1 5 . 1 1 268 268 LEU H H 280 7.690 7.690 8.107 -0.417 17614 5783 1 5 . 1 1 269 269 GLY N N 281 106.837 106.837 107.031 -0.194 17614 5784 1 5 . 1 1 269 269 GLY C C 281 174.045 174.045 176.088 -2.043 17614 5785 1 5 . 1 1 269 269 GLY CA C 281 46.967 46.967 47.094 -0.127 17614 5786 1 5 . 1 1 269 269 GLY H H 281 7.881 7.881 7.694 0.187 17614 5787 1 5 . 1 1 270 270 SER N N 282 115.531 115.531 118.399 -2.868 17614 5788 1 5 . 1 1 270 270 SER C C 282 174.123 174.123 176.273 -2.150 17614 5789 1 5 . 1 1 270 270 SER CA C 282 58.796 58.796 61.066 -2.270 17614 5790 1 5 . 1 1 270 270 SER CB C 282 58.975 58.975 62.856 -3.881 17614 5791 1 5 . 1 1 270 270 SER H H 282 7.813 7.813 7.578 0.235 17614 5792 1 5 . 1 1 271 271 TRP N N 283 122.851 122.851 123.379 -0.528 17614 5793 1 5 . 1 1 271 271 TRP C C 283 176.142 176.142 177.781 -1.639 17614 5794 1 5 . 1 1 271 271 TRP CA C 283 59.221 59.221 61.379 -2.158 17614 5795 1 5 . 1 1 271 271 TRP CB C 283 30.446 30.446 29.467 0.979 17614 5796 1 5 . 1 1 271 271 TRP H H 283 8.186 8.186 8.528 -0.342 17614 5797 1 5 . 1 1 272 272 ASN N N 284 118.459 118.459 117.175 1.284 17614 5798 1 5 . 1 1 272 272 ASN CA C 284 55.325 55.325 55.558 -0.233 17614 5799 1 5 . 1 1 272 272 ASN CB C 284 39.504 39.504 38.781 0.723 17614 5800 1 5 . 1 1 272 272 ASN H H 284 8.127 8.127 7.836 0.291 17614 5801 1 5 . 1 1 273 273 VAL C C 285 177.263 177.263 177.391 -0.128 17614 5802 1 5 . 1 1 273 273 VAL H H 285 7.854 7.854 7.521 0.334 17614 5803 1 5 . 1 1 274 274 VAL N N 286 119.883 119.883 117.459 2.424 17614 5804 1 5 . 1 1 274 274 VAL C C 286 177.072 177.072 177.181 -0.109 17614 5805 1 5 . 1 1 274 274 VAL CA C 286 64.717 64.717 65.815 -1.098 17614 5806 1 5 . 1 1 274 274 VAL CB C 286 29.553 29.553 31.082 -1.529 17614 5807 1 5 . 1 1 274 274 VAL H H 286 7.483 7.483 7.290 0.193 17614 5808 1 5 . 1 1 275 275 MET N N 287 120.401 120.401 118.560 1.841 17614 5809 1 5 . 1 1 275 275 MET C C 287 177.594 177.594 177.960 -0.366 17614 5810 1 5 . 1 1 275 275 MET CA C 287 57.654 57.654 58.512 -0.858 17614 5811 1 5 . 1 1 275 275 MET CB C 287 31.592 31.592 31.756 -0.164 17614 5812 1 5 . 1 1 275 275 MET H H 287 8.118 8.118 7.092 1.026 17614 5813 1 5 . 1 1 276 276 PHE N N 288 122.234 122.234 121.013 1.221 17614 5814 1 5 . 1 1 276 276 PHE C C 288 176.498 176.498 177.198 -0.700 17614 5815 1 5 . 1 1 276 276 PHE CA C 288 61.766 61.766 62.157 -0.391 17614 5816 1 5 . 1 1 276 276 PHE CB C 288 39.031 39.031 39.090 -0.059 17614 5817 1 5 . 1 1 276 276 PHE H H 288 7.878 7.878 7.650 0.228 17614 5818 1 5 . 1 1 277 277 VAL N N 289 118.907 118.907 117.925 0.982 17614 5819 1 5 . 1 1 277 277 VAL CA C 289 64.566 64.566 66.911 -2.345 17614 5820 1 5 . 1 1 277 277 VAL CB C 289 30.544 30.544 31.186 -0.642 17614 5821 1 5 . 1 1 277 277 VAL H H 289 7.913 7.913 7.754 0.159 17614 5822 1 5 . 1 1 278 278 THR C C 290 175.376 175.376 176.186 -0.810 17614 5823 1 5 . 1 1 278 278 THR H H 290 8.095 8.095 7.369 0.726 17614 5824 1 5 . 1 1 279 279 TYR N N 291 118.029 118.029 120.697 -2.668 17614 5825 1 5 . 1 1 279 279 TYR C C 291 176.919 176.919 177.711 -0.792 17614 5826 1 5 . 1 1 279 279 TYR CA C 291 61.717 61.717 61.928 -0.211 17614 5827 1 5 . 1 1 279 279 TYR CB C 291 38.020 38.020 37.802 0.218 17614 5828 1 5 . 1 1 279 279 TYR H H 291 7.986 7.986 7.577 0.409 17614 5829 1 5 . 1 1 280 280 GLU N N 292 118.005 118.005 118.987 -0.982 17614 5830 1 5 . 1 1 280 280 GLU C C 292 176.686 176.686 179.104 -2.418 17614 5831 1 5 . 1 1 280 280 GLU CA C 292 60.084 60.084 59.783 0.301 17614 5832 1 5 . 1 1 280 280 GLU CB C 292 29.443 29.443 29.078 0.365 17614 5833 1 5 . 1 1 280 280 GLU H H 292 8.359 8.359 8.154 0.205 17614 5834 1 5 . 1 1 281 281 GLN N N 293 118.746 118.746 118.320 0.426 17614 5835 1 5 . 1 1 281 281 GLN C C 293 176.210 176.210 178.449 -2.239 17614 5836 1 5 . 1 1 281 281 GLN CA C 293 58.986 58.986 58.578 0.408 17614 5837 1 5 . 1 1 281 281 GLN CB C 293 28.784 28.784 28.771 0.013 17614 5838 1 5 . 1 1 281 281 GLN H H 293 7.704 7.704 7.448 0.256 17614 5839 1 5 . 1 1 282 282 LEU N N 294 120.970 120.970 118.921 2.049 17614 5840 1 5 . 1 1 282 282 LEU C C 294 178.084 178.084 178.552 -0.468 17614 5841 1 5 . 1 1 282 282 LEU CA C 294 58.741 58.741 57.608 1.133 17614 5842 1 5 . 1 1 282 282 LEU CB C 294 41.451 41.451 41.795 -0.344 17614 5843 1 5 . 1 1 282 282 LEU H H 294 7.995 7.995 7.525 0.470 17614 5844 1 5 . 1 1 283 283 LYS N N 295 117.756 117.756 116.749 1.007 17614 5845 1 5 . 1 1 283 283 LYS CA C 295 59.048 59.048 57.857 1.191 17614 5846 1 5 . 1 1 283 283 LYS CB C 295 31.871 31.871 32.999 -1.128 17614 5847 1 5 . 1 1 283 283 LYS H H 295 7.731 7.731 7.938 -0.207 17614 5848 1 5 . 1 1 284 284 ARG H H 296 7.895 7.895 7.938 -0.043 17614 5849 1 5 . 1 1 285 285 ALA C C 297 176.488 176.488 176.593 -0.105 17614 5850 1 5 . 1 1 285 285 ALA H H 297 8.223 8.223 8.306 -0.083 17614 5851 1 5 . 1 1 286 286 LEU N N 298 117.376 117.376 120.544 -3.168 17614 5852 1 5 . 1 1 286 286 LEU C C 298 178.628 178.628 176.923 1.705 17614 5853 1 5 . 1 1 286 286 LEU CA C 298 58.217 58.217 55.267 2.950 17614 5854 1 5 . 1 1 286 286 LEU CB C 298 41.905 41.905 41.818 0.087 17614 5855 1 5 . 1 1 286 286 LEU H H 298 7.947 7.947 8.411 -0.464 17614 5856 1 5 . 1 1 287 287 MET N N 299 127.376 127.376 127.751 -0.375 17614 5857 1 5 . 1 1 287 287 MET C C 299 178.472 178.472 174.871 3.601 17614 5858 1 5 . 1 1 287 287 MET CA C 299 58.461 58.461 54.971 3.490 17614 5859 1 5 . 1 1 287 287 MET CB C 299 32.110 32.110 31.752 0.358 17614 5860 1 5 . 1 1 287 287 MET H H 299 8.182 8.182 8.828 -0.646 17614 5861 1 5 . 1 1 288 288 ALA N N 300 121.854 121.854 124.052 -2.198 17614 5862 1 5 . 1 1 288 288 ALA C C 300 180.197 180.197 176.117 4.080 17614 5863 1 5 . 1 1 288 288 ALA CA C 300 55.617 55.617 52.406 3.211 17614 5864 1 5 . 1 1 288 288 ALA CB C 300 18.215 18.215 19.883 -1.668 17614 5865 1 5 . 1 1 288 288 ALA H H 300 7.841 7.841 7.696 0.145 17614 5866 1 5 . 1 1 289 289 ALA N N 301 121.224 121.224 128.726 -7.502 17614 5867 1 5 . 1 1 289 289 ALA C C 301 178.939 178.939 178.496 0.443 17614 5868 1 5 . 1 1 289 289 ALA CA C 301 55.186 55.186 54.242 0.944 17614 5869 1 5 . 1 1 289 289 ALA CB C 301 18.735 18.735 19.140 -0.405 17614 5870 1 5 . 1 1 289 289 ALA H H 301 7.872 7.872 8.729 -0.857 17614 5871 1 5 . 1 1 290 290 TYR N N 302 118.183 118.183 119.679 -1.496 17614 5872 1 5 . 1 1 290 290 TYR C C 302 176.841 176.841 177.429 -0.588 17614 5873 1 5 . 1 1 290 290 TYR CA C 302 60.868 60.868 61.705 -0.837 17614 5874 1 5 . 1 1 290 290 TYR CB C 302 39.344 39.344 38.012 1.332 17614 5875 1 5 . 1 1 290 290 TYR H H 302 8.100 8.100 8.558 -0.458 17614 5876 1 5 . 1 1 291 291 GLN N N 303 117.243 117.243 117.931 -0.688 17614 5877 1 5 . 1 1 291 291 GLN C C 303 176.997 176.997 178.653 -1.656 17614 5878 1 5 . 1 1 291 291 GLN CA C 303 58.787 58.787 58.775 0.012 17614 5879 1 5 . 1 1 291 291 GLN CB C 303 29.216 29.216 28.059 1.157 17614 5880 1 5 . 1 1 291 291 GLN H H 303 8.059 8.059 8.641 -0.582 17614 5881 1 5 . 1 1 292 292 SER N N 304 114.721 114.721 115.260 -0.539 17614 5882 1 5 . 1 1 292 292 SER C C 304 174.511 174.511 176.195 -1.684 17614 5883 1 5 . 1 1 292 292 SER CA C 304 59.720 59.720 61.218 -1.498 17614 5884 1 5 . 1 1 292 292 SER CB C 304 63.896 63.896 62.969 0.927 17614 5885 1 5 . 1 1 292 292 SER H H 304 7.718 7.718 7.896 -0.178 17614 5886 1 5 . 1 1 293 293 ARG N N 305 121.401 121.401 120.818 0.583 17614 5887 1 5 . 1 1 293 293 ARG C C 305 175.521 175.521 177.916 -2.395 17614 5888 1 5 . 1 1 293 293 ARG CA C 305 59.639 59.639 58.161 1.478 17614 5889 1 5 . 1 1 293 293 ARG CB C 305 30.568 30.568 30.262 0.306 17614 5890 1 5 . 1 1 293 293 ARG H H 305 7.609 7.609 8.211 -0.602 17614 5891 1 5 . 1 1 294 294 GLU N N 306 120.090 120.090 117.303 2.787 17614 5892 1 5 . 1 1 294 294 GLU C C 306 177.648 177.648 178.960 -1.312 17614 5893 1 5 . 1 1 294 294 GLU CA C 306 59.624 59.624 58.625 0.999 17614 5894 1 5 . 1 1 294 294 GLU CB C 306 30.362 30.362 29.267 1.095 17614 5895 1 5 . 1 1 294 294 GLU H H 306 7.909 7.909 7.696 0.213 17614 5896 1 5 . 1 1 295 295 ALA N N 307 121.234 121.234 125.131 -3.897 17614 5897 1 5 . 1 1 295 295 ALA C C 307 176.014 176.014 177.375 -1.361 17614 5898 1 5 . 1 1 295 295 ALA CA C 307 56.844 56.844 55.399 1.445 17614 5899 1 5 . 1 1 295 295 ALA CB C 307 17.735 17.735 16.844 0.891 17614 5900 1 5 . 1 1 295 295 ALA H H 307 7.760 7.760 7.828 -0.068 17614 5901 1 6 . 1 1 3 3 VAL N N 15 123.095 123.095 123.793 -0.698 17614 5902 1 6 . 1 1 3 3 VAL C C 15 176.453 176.453 176.225 0.228 17614 5903 1 6 . 1 1 3 3 VAL CA C 15 63.979 63.979 61.071 2.908 17614 5904 1 6 . 1 1 3 3 VAL CB C 15 32.507 32.507 36.168 -3.661 17614 5905 1 6 . 1 1 3 3 VAL H H 15 8.053 8.053 8.200 -0.147 17614 5906 1 6 . 1 1 4 4 LYS N N 16 123.075 123.075 122.651 0.424 17614 5907 1 6 . 1 1 4 4 LYS C C 16 176.841 176.841 178.453 -1.612 17614 5908 1 6 . 1 1 4 4 LYS CA C 16 59.762 59.762 59.045 0.717 17614 5909 1 6 . 1 1 4 4 LYS CB C 16 32.751 32.751 32.555 0.196 17614 5910 1 6 . 1 1 4 4 LYS H H 16 8.059 8.059 8.662 -0.603 17614 5911 1 6 . 1 1 5 5 PHE N N 17 118.838 118.838 120.888 -2.050 17614 5912 1 6 . 1 1 5 5 PHE C C 17 175.443 175.443 177.348 -1.905 17614 5913 1 6 . 1 1 5 5 PHE CA C 17 59.915 59.915 60.835 -0.920 17614 5914 1 6 . 1 1 5 5 PHE CB C 17 39.659 39.659 38.902 0.757 17614 5915 1 6 . 1 1 5 5 PHE H H 17 7.909 7.909 8.189 -0.280 17614 5916 1 6 . 1 1 6 6 LEU N N 18 119.089 119.089 118.126 0.963 17614 5917 1 6 . 1 1 6 6 LEU C C 18 177.195 177.195 179.218 -2.023 17614 5918 1 6 . 1 1 6 6 LEU CA C 18 55.385 55.385 56.898 -1.513 17614 5919 1 6 . 1 1 6 6 LEU CB C 18 42.905 42.905 40.597 2.308 17614 5920 1 6 . 1 1 6 6 LEU H H 18 7.814 7.814 7.996 -0.182 17614 5921 1 6 . 1 1 7 7 GLY N N 19 108.484 108.484 108.262 0.222 17614 5922 1 6 . 1 1 7 7 GLY C C 19 174.967 174.967 175.675 -0.708 17614 5923 1 6 . 1 1 7 7 GLY CA C 19 45.518 45.518 47.183 -1.665 17614 5924 1 6 . 1 1 7 7 GLY H H 19 8.032 8.032 8.452 -0.420 17614 5925 1 6 . 1 1 8 8 ALA N N 20 124.208 124.208 123.719 0.489 17614 5926 1 6 . 1 1 8 8 ALA C C 20 179.405 179.405 179.105 0.300 17614 5927 1 6 . 1 1 8 8 ALA CA C 20 54.531 54.531 54.405 0.126 17614 5928 1 6 . 1 1 8 8 ALA CB C 20 18.995 18.995 18.300 0.695 17614 5929 1 6 . 1 1 8 8 ALA H H 20 8.318 8.318 8.030 0.288 17614 5930 1 6 . 1 1 9 9 GLY N N 21 108.209 108.209 107.212 0.997 17614 5931 1 6 . 1 1 9 9 GLY C C 21 175.676 175.676 176.130 -0.454 17614 5932 1 6 . 1 1 9 9 GLY CA C 21 46.742 46.742 47.301 -0.559 17614 5933 1 6 . 1 1 9 9 GLY H H 21 8.523 8.523 8.230 0.293 17614 5934 1 6 . 1 1 10 10 THR N N 22 119.542 119.542 114.781 4.761 17614 5935 1 6 . 1 1 10 10 THR C C 22 175.661 175.661 176.237 -0.576 17614 5936 1 6 . 1 1 10 10 THR CA C 22 66.401 66.401 64.742 1.659 17614 5937 1 6 . 1 1 10 10 THR CB C 22 68.866 68.866 68.888 -0.022 17614 5938 1 6 . 1 1 10 10 THR H H 22 7.881 7.881 8.315 -0.434 17614 5939 1 6 . 1 1 11 11 ALA N N 23 123.431 123.431 124.620 -1.189 17614 5940 1 6 . 1 1 11 11 ALA C C 23 178.628 178.628 178.921 -0.293 17614 5941 1 6 . 1 1 11 11 ALA CA C 23 55.480 55.480 54.918 0.562 17614 5942 1 6 . 1 1 11 11 ALA CB C 23 18.218 18.218 18.176 0.042 17614 5943 1 6 . 1 1 11 11 ALA H H 23 8.263 8.263 7.448 0.815 17614 5944 1 6 . 1 1 12 12 ALA N N 24 119.939 119.939 120.914 -0.975 17614 5945 1 6 . 1 1 12 12 ALA C C 24 179.172 179.172 179.029 0.143 17614 5946 1 6 . 1 1 12 12 ALA CA C 24 55.038 55.038 55.164 -0.126 17614 5947 1 6 . 1 1 12 12 ALA CB C 24 18.385 18.385 18.368 0.017 17614 5948 1 6 . 1 1 12 12 ALA H H 24 7.827 7.827 8.304 -0.477 17614 5949 1 6 . 1 1 13 13 CYS N N 25 116.736 116.736 116.542 0.194 17614 5950 1 6 . 1 1 13 13 CYS C C 25 176.220 176.220 176.544 -0.324 17614 5951 1 6 . 1 1 13 13 CYS CA C 25 58.596 58.596 61.961 -3.365 17614 5952 1 6 . 1 1 13 13 CYS CB C 25 41.771 41.771 27.349 14.421 17614 5953 1 6 . 1 1 13 13 CYS H H 25 7.677 7.677 7.378 0.299 17614 5954 1 6 . 1 1 14 14 ILE N N 26 119.154 119.154 121.514 -2.360 17614 5955 1 6 . 1 1 14 14 ILE C C 26 176.915 176.915 177.118 -0.203 17614 5956 1 6 . 1 1 14 14 ILE CA C 26 64.858 64.858 63.921 0.937 17614 5957 1 6 . 1 1 14 14 ILE CB C 26 38.090 38.090 37.819 0.271 17614 5958 1 6 . 1 1 14 14 ILE H H 26 7.899 7.899 7.501 0.398 17614 5959 1 6 . 1 1 15 15 ALA N N 27 121.116 121.116 122.005 -0.889 17614 5960 1 6 . 1 1 15 15 ALA C C 27 179.016 179.016 178.898 0.118 17614 5961 1 6 . 1 1 15 15 ALA CA C 27 55.367 55.367 54.943 0.424 17614 5962 1 6 . 1 1 15 15 ALA CB C 27 18.385 18.385 18.602 -0.216 17614 5963 1 6 . 1 1 15 15 ALA H H 27 7.909 7.909 7.737 0.172 17614 5964 1 6 . 1 1 16 16 ASP N N 28 116.829 116.829 117.287 -0.458 17614 5965 1 6 . 1 1 16 16 ASP C C 28 177.643 177.643 178.407 -0.764 17614 5966 1 6 . 1 1 16 16 ASP CA C 28 56.453 56.453 57.547 -1.094 17614 5967 1 6 . 1 1 16 16 ASP CB C 28 41.128 41.128 41.049 0.079 17614 5968 1 6 . 1 1 16 16 ASP H H 28 7.554 7.554 7.547 0.007 17614 5969 1 6 . 1 1 17 17 LEU N N 29 119.672 119.672 119.325 0.347 17614 5970 1 6 . 1 1 17 17 LEU C C 29 178.628 178.628 178.991 -0.363 17614 5971 1 6 . 1 1 17 17 LEU CA C 29 57.144 57.144 58.333 -1.189 17614 5972 1 6 . 1 1 17 17 LEU CB C 29 43.146 43.146 41.474 1.672 17614 5973 1 6 . 1 1 17 17 LEU H H 29 7.732 7.732 7.336 0.396 17614 5974 1 6 . 1 1 18 18 ILE N N 30 113.629 113.629 116.382 -2.753 17614 5975 1 6 . 1 1 18 18 ILE C C 30 176.456 176.456 175.906 0.550 17614 5976 1 6 . 1 1 18 18 ILE CA C 30 60.539 60.539 62.497 -1.958 17614 5977 1 6 . 1 1 18 18 ILE CB C 30 38.506 38.506 37.923 0.583 17614 5978 1 6 . 1 1 18 18 ILE H H 30 7.977 7.977 7.786 0.191 17614 5979 1 6 . 1 1 19 19 THR N N 31 113.314 113.314 110.475 2.839 17614 5980 1 6 . 1 1 19 19 THR C C 31 174.045 174.045 175.946 -1.901 17614 5981 1 6 . 1 1 19 19 THR CA C 31 62.495 62.495 62.635 -0.140 17614 5982 1 6 . 1 1 19 19 THR CB C 31 69.898 69.898 70.323 -0.425 17614 5983 1 6 . 1 1 19 19 THR H H 31 7.738 7.738 7.129 0.609 17614 5984 1 6 . 1 1 20 20 PHE N N 32 123.409 123.409 124.662 -1.253 17614 5985 1 6 . 1 1 20 20 PHE CA C 32 56.349 56.349 61.399 -5.050 17614 5986 1 6 . 1 1 20 20 PHE CB C 32 39.148 39.148 37.463 1.685 17614 5987 1 6 . 1 1 20 20 PHE H H 32 7.609 7.609 8.391 -0.782 17614 5988 1 6 . 1 1 21 21 PRO C C 33 177.831 177.831 177.512 0.319 17614 5989 1 6 . 1 1 21 21 PRO CA C 33 62.656 62.656 64.670 -2.014 17614 5990 1 6 . 1 1 21 21 PRO CB C 33 34.762 34.762 31.052 3.710 17614 5991 1 6 . 1 1 22 22 LEU N N 34 124.503 124.503 118.685 5.818 17614 5992 1 6 . 1 1 22 22 LEU C C 34 176.298 176.298 178.810 -2.512 17614 5993 1 6 . 1 1 22 22 LEU CA C 34 55.545 55.545 57.607 -2.062 17614 5994 1 6 . 1 1 22 22 LEU CB C 34 43.287 43.287 40.999 2.288 17614 5995 1 6 . 1 1 22 22 LEU H H 34 8.659 8.659 7.208 1.451 17614 5996 1 6 . 1 1 23 23 ASP N N 35 121.663 121.663 119.066 2.597 17614 5997 1 6 . 1 1 23 23 ASP C C 35 177.152 177.152 178.469 -1.317 17614 5998 1 6 . 1 1 23 23 ASP CA C 35 54.326 54.326 57.367 -3.041 17614 5999 1 6 . 1 1 23 23 ASP CB C 35 41.154 41.154 40.314 0.840 17614 6000 1 6 . 1 1 23 23 ASP H H 35 8.236 8.236 7.585 0.651 17614 6001 1 6 . 1 1 24 24 THR N N 36 115.977 115.977 114.828 1.149 17614 6002 1 6 . 1 1 24 24 THR C C 36 177.088 177.088 175.972 1.116 17614 6003 1 6 . 1 1 24 24 THR CA C 36 64.868 64.868 66.140 -1.272 17614 6004 1 6 . 1 1 24 24 THR CB C 36 69.053 69.053 68.506 0.547 17614 6005 1 6 . 1 1 24 24 THR H H 36 8.127 8.127 7.805 0.322 17614 6006 1 6 . 1 1 25 25 ALA N N 37 125.063 125.063 123.089 1.974 17614 6007 1 6 . 1 1 25 25 ALA C C 37 179.143 179.143 179.289 -0.146 17614 6008 1 6 . 1 1 25 25 ALA CA C 37 55.234 55.234 55.270 -0.036 17614 6009 1 6 . 1 1 25 25 ALA CB C 37 18.735 18.735 18.314 0.421 17614 6010 1 6 . 1 1 25 25 ALA H H 37 8.042 8.042 7.611 0.431 17614 6011 1 6 . 1 1 26 26 LYS N N 38 117.827 117.827 118.707 -0.880 17614 6012 1 6 . 1 1 26 26 LYS C C 38 178.239 178.239 178.442 -0.203 17614 6013 1 6 . 1 1 26 26 LYS CA C 38 58.861 58.861 59.008 -0.147 17614 6014 1 6 . 1 1 26 26 LYS CB C 38 32.724 32.724 32.109 0.615 17614 6015 1 6 . 1 1 26 26 LYS H H 38 7.759 7.759 7.595 0.164 17614 6016 1 6 . 1 1 27 27 VAL N N 39 118.955 118.955 118.008 0.947 17614 6017 1 6 . 1 1 27 27 VAL C C 39 177.892 177.892 177.926 -0.034 17614 6018 1 6 . 1 1 27 27 VAL CA C 39 65.478 65.478 65.339 0.139 17614 6019 1 6 . 1 1 27 27 VAL CB C 39 34.675 34.675 31.645 3.030 17614 6020 1 6 . 1 1 27 27 VAL H H 39 7.554 7.554 7.402 0.152 17614 6021 1 6 . 1 1 28 28 ARG N N 40 119.922 119.922 118.437 1.485 17614 6022 1 6 . 1 1 28 28 ARG C C 40 178.391 178.391 178.859 -0.468 17614 6023 1 6 . 1 1 28 28 ARG CA C 40 59.648 59.648 58.080 1.569 17614 6024 1 6 . 1 1 28 28 ARG CB C 40 29.933 29.933 29.928 0.005 17614 6025 1 6 . 1 1 28 28 ARG H H 40 7.794 7.794 7.416 0.378 17614 6026 1 6 . 1 1 29 29 LEU N N 41 118.720 118.720 120.382 -1.662 17614 6027 1 6 . 1 1 29 29 LEU CA C 41 54.749 54.749 55.008 -0.259 17614 6028 1 6 . 1 1 29 29 LEU CB C 41 40.429 40.429 39.010 1.419 17614 6029 1 6 . 1 1 29 29 LEU H H 41 7.534 7.534 7.493 0.041 17614 6030 1 6 . 1 1 37 37 GLY C C 49 174.779 174.779 175.413 -0.634 17614 6031 1 6 . 1 1 38 38 LEU N N 50 123.029 123.029 121.967 1.062 17614 6032 1 6 . 1 1 38 38 LEU C C 50 178.482 178.482 178.426 0.056 17614 6033 1 6 . 1 1 38 38 LEU CA C 50 56.765 56.765 57.012 -0.247 17614 6034 1 6 . 1 1 38 38 LEU CB C 50 41.673 41.673 41.529 0.144 17614 6035 1 6 . 1 1 38 38 LEU H H 50 8.113 8.113 7.585 0.528 17614 6036 1 6 . 1 1 39 39 VAL N N 51 118.714 118.714 117.262 1.452 17614 6037 1 6 . 1 1 39 39 VAL C C 51 178.032 178.032 177.073 0.959 17614 6038 1 6 . 1 1 39 39 VAL CA C 51 66.037 66.037 66.454 -0.417 17614 6039 1 6 . 1 1 39 39 VAL CB C 51 30.763 30.763 31.531 -0.768 17614 6040 1 6 . 1 1 39 39 VAL H H 51 7.974 7.974 7.492 0.482 17614 6041 1 6 . 1 1 40 40 ARG N N 52 121.569 121.569 115.143 6.426 17614 6042 1 6 . 1 1 40 40 ARG CA C 52 59.167 59.167 58.197 0.970 17614 6043 1 6 . 1 1 40 40 ARG CB C 52 29.437 29.437 29.555 -0.118 17614 6044 1 6 . 1 1 40 40 ARG H H 52 8.231 8.231 8.340 -0.109 17614 6045 1 6 . 1 1 41 41 THR C C 53 175.108 175.108 175.153 -0.045 17614 6046 1 6 . 1 1 41 41 THR H H 53 7.948 7.948 7.419 0.529 17614 6047 1 6 . 1 1 42 42 ALA N N 54 121.823 121.823 124.435 -2.612 17614 6048 1 6 . 1 1 42 42 ALA C C 54 174.922 174.922 176.283 -1.361 17614 6049 1 6 . 1 1 42 42 ALA CA C 54 50.101 50.101 51.165 -1.064 17614 6050 1 6 . 1 1 42 42 ALA CB C 54 18.950 18.950 19.456 -0.506 17614 6051 1 6 . 1 1 42 42 ALA H H 54 7.792 7.792 7.628 0.164 17614 6052 1 6 . 1 1 43 43 ALA N N 55 113.986 113.986 127.200 -13.214 17614 6053 1 6 . 1 1 43 43 ALA C C 55 178.007 178.007 177.505 0.502 17614 6054 1 6 . 1 1 43 43 ALA CA C 55 53.458 53.458 53.362 0.096 17614 6055 1 6 . 1 1 43 43 ALA CB C 55 18.809 18.809 19.547 -0.738 17614 6056 1 6 . 1 1 43 43 ALA H H 55 7.333 7.333 8.564 -1.231 17614 6057 1 6 . 1 1 44 44 SER N N 56 125.425 125.425 114.128 11.297 17614 6058 1 6 . 1 1 44 44 SER C C 56 174.899 174.899 173.518 1.381 17614 6059 1 6 . 1 1 44 44 SER CA C 56 59.520 59.520 56.745 2.775 17614 6060 1 6 . 1 1 44 44 SER CB C 56 64.051 64.051 64.336 -0.285 17614 6061 1 6 . 1 1 44 44 SER H H 56 7.786 7.786 7.649 0.137 17614 6062 1 6 . 1 1 45 45 ALA N N 57 118.183 118.183 120.437 -2.254 17614 6063 1 6 . 1 1 45 45 ALA CA C 57 53.783 53.783 53.630 0.152 17614 6064 1 6 . 1 1 45 45 ALA CB C 57 17.599 17.599 17.771 -0.172 17614 6065 1 6 . 1 1 45 45 ALA H H 57 8.018 8.018 7.494 0.524 17614 6066 1 6 . 1 1 47 47 TYR C C 59 177.662 177.662 177.259 0.403 17614 6067 1 6 . 1 1 48 48 ARG N N 60 122.798 122.798 120.595 2.203 17614 6068 1 6 . 1 1 48 48 ARG C C 60 177.956 177.956 177.872 0.084 17614 6069 1 6 . 1 1 48 48 ARG CA C 60 58.711 58.711 57.980 0.731 17614 6070 1 6 . 1 1 48 48 ARG CB C 60 30.659 30.659 29.998 0.661 17614 6071 1 6 . 1 1 48 48 ARG H H 60 8.311 8.311 8.669 -0.358 17614 6072 1 6 . 1 1 49 49 GLY N N 61 109.033 109.033 109.445 -0.412 17614 6073 1 6 . 1 1 49 49 GLY C C 61 176.064 176.064 174.899 1.165 17614 6074 1 6 . 1 1 49 49 GLY CA C 61 46.592 46.592 45.097 1.495 17614 6075 1 6 . 1 1 49 49 GLY H H 61 8.182 8.182 8.290 -0.108 17614 6076 1 6 . 1 1 50 50 VAL N N 62 123.218 123.218 125.882 -2.664 17614 6077 1 6 . 1 1 50 50 VAL C C 62 177.540 177.540 177.193 0.347 17614 6078 1 6 . 1 1 50 50 VAL CA C 62 66.277 66.277 64.495 1.782 17614 6079 1 6 . 1 1 50 50 VAL CB C 62 32.355 32.355 32.114 0.241 17614 6080 1 6 . 1 1 50 50 VAL H H 62 8.105 8.105 8.486 -0.381 17614 6081 1 6 . 1 1 51 51 LEU N N 63 120.295 120.295 120.041 0.254 17614 6082 1 6 . 1 1 51 51 LEU C C 63 178.628 178.628 178.894 -0.266 17614 6083 1 6 . 1 1 51 51 LEU CA C 63 58.366 58.366 57.506 0.860 17614 6084 1 6 . 1 1 51 51 LEU CB C 63 41.675 41.675 40.425 1.250 17614 6085 1 6 . 1 1 51 51 LEU H H 63 8.182 8.182 8.299 -0.117 17614 6086 1 6 . 1 1 52 52 GLY N N 64 106.013 106.013 105.506 0.507 17614 6087 1 6 . 1 1 52 52 GLY C C 64 176.531 176.531 176.320 0.211 17614 6088 1 6 . 1 1 52 52 GLY CA C 64 47.765 47.765 47.216 0.549 17614 6089 1 6 . 1 1 52 52 GLY H H 64 8.102 8.102 7.816 0.286 17614 6090 1 6 . 1 1 53 53 THR N N 65 120.842 120.842 118.925 1.917 17614 6091 1 6 . 1 1 53 53 THR C C 65 176.453 176.453 176.345 0.108 17614 6092 1 6 . 1 1 53 53 THR CA C 65 67.140 67.140 66.728 0.412 17614 6093 1 6 . 1 1 53 53 THR CB C 65 69.161 69.161 68.568 0.593 17614 6094 1 6 . 1 1 53 53 THR H H 65 7.854 7.854 7.434 0.420 17614 6095 1 6 . 1 1 54 54 ILE N N 66 122.676 122.676 122.034 0.642 17614 6096 1 6 . 1 1 54 54 ILE C C 66 177.307 177.307 177.237 0.070 17614 6097 1 6 . 1 1 54 54 ILE CA C 66 65.832 65.832 64.458 1.374 17614 6098 1 6 . 1 1 54 54 ILE CB C 66 38.090 38.090 37.986 0.104 17614 6099 1 6 . 1 1 54 54 ILE H H 66 8.018 8.018 7.409 0.609 17614 6100 1 6 . 1 1 55 55 LEU N N 67 119.838 119.838 119.358 0.480 17614 6101 1 6 . 1 1 55 55 LEU C C 67 178.706 178.706 178.794 -0.088 17614 6102 1 6 . 1 1 55 55 LEU CA C 67 58.491 58.491 57.980 0.511 17614 6103 1 6 . 1 1 55 55 LEU CB C 67 41.387 41.387 40.739 0.649 17614 6104 1 6 . 1 1 55 55 LEU H H 67 8.291 8.291 7.575 0.716 17614 6105 1 6 . 1 1 56 56 THR N N 68 115.362 115.362 115.160 0.202 17614 6106 1 6 . 1 1 56 56 THR C C 68 176.764 176.764 176.659 0.105 17614 6107 1 6 . 1 1 56 56 THR CA C 68 67.040 67.040 66.525 0.515 17614 6108 1 6 . 1 1 56 56 THR CB C 68 69.403 69.403 68.704 0.699 17614 6109 1 6 . 1 1 56 56 THR H H 68 7.963 7.963 7.202 0.761 17614 6110 1 6 . 1 1 57 57 MET N N 69 122.960 122.960 120.454 2.506 17614 6111 1 6 . 1 1 57 57 MET C C 69 177.153 177.153 178.033 -0.880 17614 6112 1 6 . 1 1 57 57 MET CA C 69 59.710 59.710 58.133 1.577 17614 6113 1 6 . 1 1 57 57 MET CB C 69 33.111 33.111 32.032 1.079 17614 6114 1 6 . 1 1 57 57 MET H H 69 7.977 7.977 7.659 0.318 17614 6115 1 6 . 1 1 58 58 VAL N N 70 119.558 119.558 118.849 0.709 17614 6116 1 6 . 1 1 58 58 VAL C C 70 176.841 176.841 177.539 -0.698 17614 6117 1 6 . 1 1 58 58 VAL CA C 70 66.277 66.277 65.151 1.125 17614 6118 1 6 . 1 1 58 58 VAL CB C 70 31.362 31.362 31.638 -0.276 17614 6119 1 6 . 1 1 58 58 VAL H H 70 7.751 7.751 7.488 0.263 17614 6120 1 6 . 1 1 59 59 ARG N N 71 118.002 118.002 118.330 -0.328 17614 6121 1 6 . 1 1 59 59 ARG C C 71 177.152 177.152 178.201 -1.049 17614 6122 1 6 . 1 1 59 59 ARG CA C 71 58.761 58.761 58.020 0.741 17614 6123 1 6 . 1 1 59 59 ARG CB C 71 30.656 30.656 30.154 0.502 17614 6124 1 6 . 1 1 59 59 ARG H H 71 7.827 7.827 7.556 0.271 17614 6125 1 6 . 1 1 60 60 THR N N 72 111.410 111.410 114.463 -3.053 17614 6126 1 6 . 1 1 60 60 THR C C 72 175.288 175.288 175.672 -0.384 17614 6127 1 6 . 1 1 60 60 THR CA C 72 64.194 64.194 65.472 -1.278 17614 6128 1 6 . 1 1 60 60 THR CB C 72 70.312 70.312 69.121 1.191 17614 6129 1 6 . 1 1 60 60 THR H H 72 7.745 7.745 7.725 0.020 17614 6130 1 6 . 1 1 61 61 GLU N N 73 120.577 120.577 118.110 2.467 17614 6131 1 6 . 1 1 61 61 GLU C C 73 177.696 177.696 176.111 1.585 17614 6132 1 6 . 1 1 61 61 GLU CA C 73 57.363 57.363 56.831 0.532 17614 6133 1 6 . 1 1 61 61 GLU CB C 73 30.927 30.927 32.070 -1.143 17614 6134 1 6 . 1 1 61 61 GLU H H 73 8.263 8.263 8.070 0.193 17614 6135 1 6 . 1 1 62 62 GLY N N 74 108.209 108.209 106.561 1.648 17614 6136 1 6 . 1 1 62 62 GLY CA C 74 45.593 45.593 44.787 0.806 17614 6137 1 6 . 1 1 62 62 GLY H H 74 7.841 7.841 7.446 0.395 17614 6138 1 6 . 1 1 63 63 PRO C C 75 177.152 177.152 178.618 -1.466 17614 6139 1 6 . 1 1 63 63 PRO CA C 75 65.652 65.652 64.500 1.152 17614 6140 1 6 . 1 1 63 63 PRO CB C 75 32.294 32.294 32.264 0.030 17614 6141 1 6 . 1 1 64 64 ARG N N 76 118.553 118.553 116.276 2.277 17614 6142 1 6 . 1 1 64 64 ARG C C 76 177.696 177.696 177.282 0.414 17614 6143 1 6 . 1 1 64 64 ARG CA C 76 59.785 59.785 58.642 1.143 17614 6144 1 6 . 1 1 64 64 ARG CB C 76 29.671 29.671 29.458 0.213 17614 6145 1 6 . 1 1 64 64 ARG H H 76 8.427 8.427 8.461 -0.034 17614 6146 1 6 . 1 1 65 65 SER N N 77 115.323 115.323 114.169 1.154 17614 6147 1 6 . 1 1 65 65 SER C C 77 177.230 177.230 175.444 1.786 17614 6148 1 6 . 1 1 65 65 SER CA C 77 61.318 61.318 61.022 0.296 17614 6149 1 6 . 1 1 65 65 SER CB C 77 63.281 63.281 63.622 -0.341 17614 6150 1 6 . 1 1 65 65 SER H H 77 7.963 7.963 8.156 -0.193 17614 6151 1 6 . 1 1 66 66 LEU N N 78 122.598 122.598 120.630 1.968 17614 6152 1 6 . 1 1 66 66 LEU C C 78 177.696 177.696 178.093 -0.397 17614 6153 1 6 . 1 1 66 66 LEU CA C 78 57.792 57.792 56.867 0.925 17614 6154 1 6 . 1 1 66 66 LEU CB C 78 42.202 42.202 41.894 0.308 17614 6155 1 6 . 1 1 66 66 LEU H H 78 7.595 7.595 7.416 0.179 17614 6156 1 6 . 1 1 67 67 TYR N N 79 119.276 119.276 115.112 4.164 17614 6157 1 6 . 1 1 67 67 TYR C C 79 176.142 176.142 176.404 -0.262 17614 6158 1 6 . 1 1 67 67 TYR CA C 79 60.792 60.792 58.798 1.994 17614 6159 1 6 . 1 1 67 67 TYR CB C 79 38.687 38.687 37.944 0.743 17614 6160 1 6 . 1 1 67 67 TYR H H 79 7.868 7.868 7.221 0.647 17614 6161 1 6 . 1 1 68 68 ASN N N 80 117.249 117.249 118.032 -0.783 17614 6162 1 6 . 1 1 68 68 ASN C C 80 178.472 178.472 175.370 3.102 17614 6163 1 6 . 1 1 68 68 ASN CA C 80 53.024 53.024 52.835 0.189 17614 6164 1 6 . 1 1 68 68 ASN CB C 80 37.946 37.946 37.773 0.173 17614 6165 1 6 . 1 1 68 68 ASN H H 80 8.374 8.374 7.658 0.716 17614 6166 1 6 . 1 1 69 69 GLY N N 81 108.575 108.575 105.863 2.712 17614 6167 1 6 . 1 1 69 69 GLY C C 81 175.521 175.521 174.789 0.732 17614 6168 1 6 . 1 1 69 69 GLY CA C 81 46.266 46.266 45.559 0.707 17614 6169 1 6 . 1 1 69 69 GLY H H 81 8.086 8.086 7.821 0.265 17614 6170 1 6 . 1 1 70 70 LEU N N 82 124.326 124.326 122.649 1.677 17614 6171 1 6 . 1 1 70 70 LEU C C 82 178.239 178.239 177.730 0.509 17614 6172 1 6 . 1 1 70 70 LEU CA C 82 58.217 58.217 57.434 0.783 17614 6173 1 6 . 1 1 70 70 LEU CB C 82 42.351 42.351 41.911 0.440 17614 6174 1 6 . 1 1 70 70 LEU H H 82 7.991 7.991 7.753 0.238 17614 6175 1 6 . 1 1 71 71 VAL N N 83 117.727 117.727 118.287 -0.560 17614 6176 1 6 . 1 1 71 71 VAL C C 83 177.851 177.851 176.926 0.925 17614 6177 1 6 . 1 1 71 71 VAL CA C 83 64.113 64.113 64.797 -0.684 17614 6178 1 6 . 1 1 71 71 VAL CB C 83 31.924 31.924 31.342 0.582 17614 6179 1 6 . 1 1 71 71 VAL H H 83 8.004 8.004 8.208 -0.204 17614 6180 1 6 . 1 1 72 72 ALA N N 84 121.414 121.414 121.643 -0.229 17614 6181 1 6 . 1 1 72 72 ALA C C 84 180.570 180.570 179.696 0.874 17614 6182 1 6 . 1 1 72 72 ALA CA C 84 55.031 55.031 54.619 0.412 17614 6183 1 6 . 1 1 72 72 ALA CB C 84 18.286 18.286 18.381 -0.095 17614 6184 1 6 . 1 1 72 72 ALA H H 84 7.677 7.677 7.261 0.416 17614 6185 1 6 . 1 1 73 73 GLY N N 85 106.471 106.471 107.232 -0.761 17614 6186 1 6 . 1 1 73 73 GLY C C 85 175.521 175.521 176.011 -0.490 17614 6187 1 6 . 1 1 73 73 GLY CA C 85 47.191 47.191 46.552 0.639 17614 6188 1 6 . 1 1 73 73 GLY H H 85 7.963 7.963 7.588 0.375 17614 6189 1 6 . 1 1 74 74 LEU N N 86 122.326 122.326 122.129 0.197 17614 6190 1 6 . 1 1 74 74 LEU C C 86 178.239 178.239 178.885 -0.646 17614 6191 1 6 . 1 1 74 74 LEU CA C 86 57.493 57.493 57.577 -0.084 17614 6192 1 6 . 1 1 74 74 LEU CB C 86 42.202 42.202 41.755 0.447 17614 6193 1 6 . 1 1 74 74 LEU H H 86 8.100 8.100 7.409 0.691 17614 6194 1 6 . 1 1 75 75 GLN N N 87 117.736 117.736 116.965 0.771 17614 6195 1 6 . 1 1 75 75 GLN C C 87 177.340 177.340 178.107 -0.767 17614 6196 1 6 . 1 1 75 75 GLN CA C 87 57.787 57.787 58.662 -0.875 17614 6197 1 6 . 1 1 75 75 GLN CB C 87 28.942 28.942 27.955 0.987 17614 6198 1 6 . 1 1 75 75 GLN H H 87 8.004 8.004 7.847 0.157 17614 6199 1 6 . 1 1 76 76 ARG N N 88 118.107 118.107 120.643 -2.536 17614 6200 1 6 . 1 1 76 76 ARG C C 88 177.930 177.930 178.714 -0.784 17614 6201 1 6 . 1 1 76 76 ARG CA C 88 58.062 58.062 59.761 -1.698 17614 6202 1 6 . 1 1 76 76 ARG CB C 88 30.774 30.774 29.921 0.853 17614 6203 1 6 . 1 1 76 76 ARG H H 88 7.568 7.568 7.325 0.243 17614 6204 1 6 . 1 1 77 77 GLN N N 89 117.921 117.921 117.536 0.385 17614 6205 1 6 . 1 1 77 77 GLN C C 89 177.375 177.375 178.356 -0.981 17614 6206 1 6 . 1 1 77 77 GLN CA C 89 56.838 56.838 57.778 -0.939 17614 6207 1 6 . 1 1 77 77 GLN CB C 89 29.006 29.006 28.317 0.689 17614 6208 1 6 . 1 1 77 77 GLN H H 89 7.827 7.827 7.515 0.312 17614 6209 1 6 . 1 1 78 78 MET N N 90 118.378 118.378 119.993 -1.615 17614 6210 1 6 . 1 1 78 78 MET C C 90 176.365 176.365 178.168 -1.803 17614 6211 1 6 . 1 1 78 78 MET CA C 90 56.339 56.339 58.978 -2.639 17614 6212 1 6 . 1 1 78 78 MET CB C 90 33.444 33.444 32.836 0.608 17614 6213 1 6 . 1 1 78 78 MET H H 90 7.963 7.963 8.421 -0.458 17614 6214 1 6 . 1 1 79 79 SER N N 91 115.089 115.089 115.056 0.033 17614 6215 1 6 . 1 1 79 79 SER C C 91 175.899 175.899 176.561 -0.662 17614 6216 1 6 . 1 1 79 79 SER CA C 91 58.621 58.621 60.837 -2.216 17614 6217 1 6 . 1 1 79 79 SER CB C 91 64.337 64.337 63.016 1.321 17614 6218 1 6 . 1 1 79 79 SER H H 91 7.868 7.868 7.888 -0.020 17614 6219 1 6 . 1 1 80 80 PHE N N 92 122.852 122.852 123.939 -1.087 17614 6220 1 6 . 1 1 80 80 PHE C C 92 177.375 177.375 176.713 0.662 17614 6221 1 6 . 1 1 80 80 PHE CA C 92 59.095 59.095 61.682 -2.587 17614 6222 1 6 . 1 1 80 80 PHE CB C 92 38.937 38.937 39.150 -0.213 17614 6223 1 6 . 1 1 80 80 PHE H H 92 8.332 8.332 7.562 0.770 17614 6224 1 6 . 1 1 81 81 ALA N N 93 123.258 123.258 119.434 3.824 17614 6225 1 6 . 1 1 81 81 ALA C C 93 178.628 178.628 178.690 -0.062 17614 6226 1 6 . 1 1 81 81 ALA CA C 93 54.881 54.881 54.624 0.257 17614 6227 1 6 . 1 1 81 81 ALA CB C 93 17.902 17.902 18.297 -0.395 17614 6228 1 6 . 1 1 81 81 ALA H H 93 8.223 8.223 7.731 0.492 17614 6229 1 6 . 1 1 82 82 SER N N 94 112.886 112.886 114.601 -1.715 17614 6230 1 6 . 1 1 82 82 SER C C 94 176.831 176.831 176.893 -0.062 17614 6231 1 6 . 1 1 82 82 SER CA C 94 60.319 60.319 60.822 -0.503 17614 6232 1 6 . 1 1 82 82 SER CB C 94 63.611 63.611 63.569 0.042 17614 6233 1 6 . 1 1 82 82 SER H H 94 7.977 7.977 7.600 0.377 17614 6234 1 6 . 1 1 83 83 VAL N N 95 121.854 121.854 122.912 -1.058 17614 6235 1 6 . 1 1 83 83 VAL C C 95 176.220 176.220 176.056 0.164 17614 6236 1 6 . 1 1 83 83 VAL CA C 95 64.629 64.629 64.395 0.234 17614 6237 1 6 . 1 1 83 83 VAL CB C 95 31.328 31.328 31.296 0.032 17614 6238 1 6 . 1 1 83 83 VAL H H 95 7.581 7.581 8.529 -0.948 17614 6239 1 6 . 1 1 84 84 ARG N N 96 121.329 121.329 118.527 2.802 17614 6240 1 6 . 1 1 84 84 ARG C C 96 176.814 176.814 177.243 -0.429 17614 6241 1 6 . 1 1 84 84 ARG CA C 96 58.636 58.636 57.634 1.002 17614 6242 1 6 . 1 1 84 84 ARG CB C 96 30.672 30.672 29.321 1.351 17614 6243 1 6 . 1 1 84 84 ARG H H 96 7.936 7.936 7.276 0.660 17614 6244 1 6 . 1 1 85 85 ILE N N 97 119.194 119.194 118.011 1.183 17614 6245 1 6 . 1 1 85 85 ILE C C 97 177.152 177.152 176.687 0.465 17614 6246 1 6 . 1 1 85 85 ILE CA C 97 63.296 63.296 62.688 0.608 17614 6247 1 6 . 1 1 85 85 ILE CB C 97 38.757 38.757 38.397 0.360 17614 6248 1 6 . 1 1 85 85 ILE H H 97 7.802 7.802 7.463 0.339 17614 6249 1 6 . 1 1 86 86 GLY N N 98 109.857 109.857 107.546 2.311 17614 6250 1 6 . 1 1 86 86 GLY C C 98 176.064 176.064 175.175 0.889 17614 6251 1 6 . 1 1 86 86 GLY CA C 98 46.941 46.941 46.146 0.795 17614 6252 1 6 . 1 1 86 86 GLY H H 98 8.127 8.127 7.702 0.425 17614 6253 1 6 . 1 1 87 87 LEU N N 99 123.258 123.258 122.967 0.291 17614 6254 1 6 . 1 1 87 87 LEU C C 99 177.856 177.856 178.428 -0.572 17614 6255 1 6 . 1 1 87 87 LEU CA C 99 58.264 58.264 56.331 1.933 17614 6256 1 6 . 1 1 87 87 LEU CB C 99 42.488 42.488 40.447 2.041 17614 6257 1 6 . 1 1 87 87 LEU H H 99 8.223 8.223 8.020 0.203 17614 6258 1 6 . 1 1 88 88 TYR N N 100 119.770 119.770 120.572 -0.802 17614 6259 1 6 . 1 1 88 88 TYR C C 100 176.997 176.997 176.983 0.014 17614 6260 1 6 . 1 1 88 88 TYR CA C 100 61.592 61.592 62.725 -1.133 17614 6261 1 6 . 1 1 88 88 TYR CB C 100 38.809 38.809 38.414 0.395 17614 6262 1 6 . 1 1 88 88 TYR H H 100 8.207 8.207 7.941 0.266 17614 6263 1 6 . 1 1 89 89 ASP N N 101 118.460 118.460 117.652 0.808 17614 6264 1 6 . 1 1 89 89 ASP C C 101 178.939 178.939 178.389 0.550 17614 6265 1 6 . 1 1 89 89 ASP CA C 101 57.797 57.797 57.845 -0.048 17614 6266 1 6 . 1 1 89 89 ASP CB C 101 40.498 40.498 40.194 0.304 17614 6267 1 6 . 1 1 89 89 ASP H H 101 8.401 8.401 8.702 -0.301 17614 6268 1 6 . 1 1 90 90 SER N N 102 116.022 116.022 115.844 0.178 17614 6269 1 6 . 1 1 90 90 SER C C 102 176.005 176.005 176.247 -0.242 17614 6270 1 6 . 1 1 90 90 SER CA C 102 62.791 62.791 61.550 1.241 17614 6271 1 6 . 1 1 90 90 SER CB C 102 64.211 64.211 63.206 1.005 17614 6272 1 6 . 1 1 90 90 SER H H 102 7.854 7.854 7.859 -0.005 17614 6273 1 6 . 1 1 91 91 VAL N N 103 120.844 120.844 122.010 -1.166 17614 6274 1 6 . 1 1 91 91 VAL C C 103 177.307 177.307 176.698 0.609 17614 6275 1 6 . 1 1 91 91 VAL CA C 103 66.510 66.510 65.105 1.405 17614 6276 1 6 . 1 1 91 91 VAL CB C 103 31.965 31.965 31.928 0.037 17614 6277 1 6 . 1 1 91 91 VAL H H 103 7.926 7.926 7.536 0.390 17614 6278 1 6 . 1 1 92 92 LYS N N 104 120.468 120.468 119.324 1.144 17614 6279 1 6 . 1 1 92 92 LYS C C 104 178.861 178.861 178.508 0.353 17614 6280 1 6 . 1 1 92 92 LYS CA C 104 60.184 60.184 59.459 0.725 17614 6281 1 6 . 1 1 92 92 LYS CB C 104 31.979 31.979 31.699 0.280 17614 6282 1 6 . 1 1 92 92 LYS H H 104 8.127 8.127 7.854 0.273 17614 6283 1 6 . 1 1 93 93 GLN N N 105 118.386 118.386 117.611 0.775 17614 6284 1 6 . 1 1 93 93 GLN C C 105 177.540 177.540 178.252 -0.712 17614 6285 1 6 . 1 1 93 93 GLN CA C 105 58.786 58.786 57.560 1.226 17614 6286 1 6 . 1 1 93 93 GLN CB C 105 28.377 28.377 28.482 -0.105 17614 6287 1 6 . 1 1 93 93 GLN H H 105 7.841 7.841 7.534 0.307 17614 6288 1 6 . 1 1 94 94 PHE N N 106 119.471 119.471 118.766 0.705 17614 6289 1 6 . 1 1 94 94 PHE C C 106 176.531 176.531 175.292 1.239 17614 6290 1 6 . 1 1 94 94 PHE CA C 106 60.593 60.593 59.935 0.657 17614 6291 1 6 . 1 1 94 94 PHE CB C 106 39.459 39.459 39.160 0.299 17614 6292 1 6 . 1 1 94 94 PHE H H 106 7.772 7.772 7.471 0.301 17614 6293 1 6 . 1 1 95 95 TYR N N 107 118.288 118.288 114.395 3.893 17614 6294 1 6 . 1 1 95 95 TYR C C 107 176.220 176.220 176.974 -0.754 17614 6295 1 6 . 1 1 95 95 TYR CA C 107 60.543 60.543 58.299 2.244 17614 6296 1 6 . 1 1 95 95 TYR CB C 107 38.819 38.819 39.531 -0.712 17614 6297 1 6 . 1 1 95 95 TYR H H 107 8.045 8.045 7.220 0.825 17614 6298 1 6 . 1 1 96 96 THR N N 108 113.383 113.383 113.684 -0.301 17614 6299 1 6 . 1 1 96 96 THR C C 108 175.288 175.288 174.034 1.254 17614 6300 1 6 . 1 1 96 96 THR CA C 108 64.094 64.094 62.503 1.591 17614 6301 1 6 . 1 1 96 96 THR CB C 108 69.986 69.986 68.800 1.186 17614 6302 1 6 . 1 1 96 96 THR H H 108 7.868 7.868 7.888 -0.020 17614 6303 1 6 . 1 1 101 101 HIS C C 113 173.413 173.413 174.075 -0.662 17614 6304 1 6 . 1 1 101 101 HIS H H 113 7.968 7.968 8.616 -0.648 17614 6305 1 6 . 1 1 102 102 ALA N N 114 119.456 119.456 121.240 -1.784 17614 6306 1 6 . 1 1 102 102 ALA C C 114 177.851 177.851 176.360 1.491 17614 6307 1 6 . 1 1 102 102 ALA CA C 114 53.283 53.283 52.329 0.954 17614 6308 1 6 . 1 1 102 102 ALA CB C 114 19.362 19.362 20.041 -0.679 17614 6309 1 6 . 1 1 102 102 ALA H H 114 8.433 8.433 7.722 0.711 17614 6310 1 6 . 1 1 103 103 GLY N N 115 108.484 108.484 105.843 2.641 17614 6311 1 6 . 1 1 103 103 GLY C C 115 174.822 174.822 175.468 -0.646 17614 6312 1 6 . 1 1 103 103 GLY CA C 115 45.968 45.968 45.134 0.834 17614 6313 1 6 . 1 1 103 103 GLY H H 115 8.250 8.250 8.628 -0.378 17614 6314 1 6 . 1 1 104 104 ILE N N 116 121.139 121.139 121.451 -0.312 17614 6315 1 6 . 1 1 104 104 ILE C C 116 176.841 176.841 177.648 -0.807 17614 6316 1 6 . 1 1 104 104 ILE CA C 116 63.160 63.160 64.055 -0.895 17614 6317 1 6 . 1 1 104 104 ILE CB C 116 38.853 38.853 37.559 1.294 17614 6318 1 6 . 1 1 104 104 ILE H H 116 8.127 8.127 8.291 -0.164 17614 6319 1 6 . 1 1 105 105 GLY N N 117 110.863 110.863 107.798 3.065 17614 6320 1 6 . 1 1 105 105 GLY C C 117 174.588 174.588 176.115 -1.527 17614 6321 1 6 . 1 1 105 105 GLY CA C 117 46.791 46.791 47.310 -0.519 17614 6322 1 6 . 1 1 105 105 GLY H H 117 8.509 8.509 8.458 0.051 17614 6323 1 6 . 1 1 106 106 SER N N 118 116.069 116.069 119.132 -3.063 17614 6324 1 6 . 1 1 106 106 SER C C 118 175.754 175.754 177.013 -1.259 17614 6325 1 6 . 1 1 106 106 SER CA C 118 60.319 60.319 62.098 -1.779 17614 6326 1 6 . 1 1 106 106 SER CB C 118 63.864 63.864 62.763 1.101 17614 6327 1 6 . 1 1 106 106 SER H H 118 7.991 7.991 8.161 -0.170 17614 6328 1 6 . 1 1 107 107 ARG N N 119 122.134 122.134 121.431 0.703 17614 6329 1 6 . 1 1 107 107 ARG C C 119 178.228 178.228 178.808 -0.580 17614 6330 1 6 . 1 1 107 107 ARG CA C 119 57.787 57.787 59.708 -1.921 17614 6331 1 6 . 1 1 107 107 ARG CB C 119 30.549 30.549 30.069 0.480 17614 6332 1 6 . 1 1 107 107 ARG H H 119 7.963 7.963 8.499 -0.536 17614 6333 1 6 . 1 1 108 108 LEU N N 120 120.403 120.403 121.322 -0.919 17614 6334 1 6 . 1 1 108 108 LEU C C 120 177.230 177.230 179.035 -1.805 17614 6335 1 6 . 1 1 108 108 LEU CA C 120 57.967 57.967 58.117 -0.150 17614 6336 1 6 . 1 1 108 108 LEU CB C 120 42.146 42.146 41.721 0.425 17614 6337 1 6 . 1 1 108 108 LEU H H 120 7.914 7.914 7.764 0.150 17614 6338 1 6 . 1 1 109 109 LEU N N 121 118.960 118.960 120.201 -1.241 17614 6339 1 6 . 1 1 109 109 LEU C C 121 177.152 177.152 178.701 -1.549 17614 6340 1 6 . 1 1 109 109 LEU CA C 121 55.495 55.495 57.974 -2.479 17614 6341 1 6 . 1 1 109 109 LEU CB C 121 42.238 42.238 41.767 0.471 17614 6342 1 6 . 1 1 109 109 LEU H H 121 7.718 7.718 8.515 -0.797 17614 6343 1 6 . 1 1 110 110 ALA N N 122 123.063 123.063 121.047 2.016 17614 6344 1 6 . 1 1 110 110 ALA C C 122 178.317 178.317 179.847 -1.530 17614 6345 1 6 . 1 1 110 110 ALA CA C 122 53.358 53.358 55.620 -2.263 17614 6346 1 6 . 1 1 110 110 ALA CB C 122 19.218 19.218 18.112 1.106 17614 6347 1 6 . 1 1 110 110 ALA H H 122 7.745 7.745 9.027 -1.282 17614 6348 1 6 . 1 1 111 111 GLY N N 123 107.843 107.843 106.710 1.133 17614 6349 1 6 . 1 1 111 111 GLY C C 123 176.912 176.912 176.640 0.272 17614 6350 1 6 . 1 1 111 111 GLY CA C 123 45.943 45.943 47.240 -1.297 17614 6351 1 6 . 1 1 111 111 GLY H H 123 8.113 8.113 8.918 -0.805 17614 6352 1 6 . 1 1 112 112 SER N N 124 116.105 116.105 117.725 -1.620 17614 6353 1 6 . 1 1 112 112 SER C C 124 175.574 175.574 176.946 -1.372 17614 6354 1 6 . 1 1 112 112 SER CA C 124 59.145 59.145 61.913 -2.768 17614 6355 1 6 . 1 1 112 112 SER CB C 124 64.211 64.211 62.709 1.502 17614 6356 1 6 . 1 1 112 112 SER H H 124 8.109 8.109 8.743 -0.634 17614 6357 1 6 . 1 1 113 113 THR N N 125 116.069 116.069 117.254 -1.185 17614 6358 1 6 . 1 1 113 113 THR C C 125 176.055 176.055 176.693 -0.638 17614 6359 1 6 . 1 1 113 113 THR CA C 125 66.921 66.921 66.140 0.781 17614 6360 1 6 . 1 1 113 113 THR CB C 125 69.682 69.682 69.042 0.640 17614 6361 1 6 . 1 1 113 113 THR H H 125 8.086 8.086 8.369 -0.283 17614 6362 1 6 . 1 1 114 114 THR N N 126 115.439 115.439 116.921 -1.482 17614 6363 1 6 . 1 1 114 114 THR C C 126 177.443 177.443 176.637 0.806 17614 6364 1 6 . 1 1 114 114 THR CA C 126 65.285 65.285 66.916 -1.631 17614 6365 1 6 . 1 1 114 114 THR CB C 126 68.364 68.364 68.603 -0.240 17614 6366 1 6 . 1 1 114 114 THR H H 126 7.977 7.977 8.336 -0.359 17614 6367 1 6 . 1 1 115 115 GLY N N 127 115.453 115.453 108.335 7.118 17614 6368 1 6 . 1 1 115 115 GLY C C 127 174.215 174.215 175.130 -0.915 17614 6369 1 6 . 1 1 115 115 GLY CA C 127 46.117 46.117 46.941 -0.823 17614 6370 1 6 . 1 1 115 115 GLY H H 127 8.168 8.168 8.167 0.001 17614 6371 1 6 . 1 1 116 116 ALA N N 128 123.952 123.952 124.904 -0.952 17614 6372 1 6 . 1 1 116 116 ALA C C 128 178.162 178.162 179.649 -1.487 17614 6373 1 6 . 1 1 116 116 ALA CA C 128 53.349 53.349 54.684 -1.335 17614 6374 1 6 . 1 1 116 116 ALA CB C 128 19.099 19.099 18.553 0.546 17614 6375 1 6 . 1 1 116 116 ALA H H 128 7.919 7.919 7.522 0.397 17614 6376 1 6 . 1 1 117 117 LEU N N 129 120.025 120.025 118.697 1.328 17614 6377 1 6 . 1 1 117 117 LEU C C 129 177.949 177.949 178.976 -1.027 17614 6378 1 6 . 1 1 117 117 LEU CA C 129 56.019 56.019 57.442 -1.423 17614 6379 1 6 . 1 1 117 117 LEU CB C 129 42.340 42.340 41.866 0.474 17614 6380 1 6 . 1 1 117 117 LEU H H 129 7.936 7.936 7.689 0.247 17614 6381 1 6 . 1 1 118 118 ALA N N 130 123.402 123.402 121.183 2.219 17614 6382 1 6 . 1 1 118 118 ALA C C 130 177.929 177.929 179.306 -1.377 17614 6383 1 6 . 1 1 118 118 ALA CA C 130 53.283 53.283 54.998 -1.715 17614 6384 1 6 . 1 1 118 118 ALA CB C 130 18.964 18.964 18.280 0.684 17614 6385 1 6 . 1 1 118 118 ALA H H 130 7.868 7.868 8.275 -0.407 17614 6386 1 6 . 1 1 119 119 VAL N N 131 118.111 118.111 118.195 -0.084 17614 6387 1 6 . 1 1 119 119 VAL C C 131 176.025 176.025 177.117 -1.092 17614 6388 1 6 . 1 1 119 119 VAL CA C 131 63.180 63.180 65.025 -1.845 17614 6389 1 6 . 1 1 119 119 VAL CB C 131 32.898 32.898 30.945 1.953 17614 6390 1 6 . 1 1 119 119 VAL H H 131 7.636 7.636 8.087 -0.451 17614 6391 1 6 . 1 1 120 120 ALA N N 132 124.047 124.047 122.407 1.640 17614 6392 1 6 . 1 1 120 120 ALA C C 132 179.008 179.008 178.726 0.282 17614 6393 1 6 . 1 1 120 120 ALA CA C 132 53.707 53.707 54.511 -0.804 17614 6394 1 6 . 1 1 120 120 ALA CB C 132 19.150 19.150 18.625 0.525 17614 6395 1 6 . 1 1 120 120 ALA H H 132 7.911 7.911 7.455 0.456 17614 6396 1 6 . 1 1 121 121 VAL N N 133 113.349 113.349 118.945 -5.596 17614 6397 1 6 . 1 1 121 121 VAL C C 133 175.527 175.527 176.337 -0.810 17614 6398 1 6 . 1 1 121 121 VAL CA C 133 64.115 64.115 63.292 0.823 17614 6399 1 6 . 1 1 121 121 VAL CB C 133 31.832 31.832 32.532 -0.700 17614 6400 1 6 . 1 1 121 121 VAL H H 133 7.094 7.094 7.554 -0.460 17614 6401 1 6 . 1 1 122 122 ALA N N 134 123.224 123.224 121.125 2.099 17614 6402 1 6 . 1 1 122 122 ALA CA C 134 55.493 55.493 51.974 3.519 17614 6403 1 6 . 1 1 122 122 ALA H H 134 7.586 7.586 7.499 0.087 17614 6404 1 6 . 1 1 124 124 PRO C C 136 177.074 177.074 178.305 -1.231 17614 6405 1 6 . 1 1 125 125 THR N N 137 113.281 113.281 108.273 5.008 17614 6406 1 6 . 1 1 125 125 THR C C 137 174.485 174.485 177.017 -2.532 17614 6407 1 6 . 1 1 125 125 THR CA C 137 64.496 64.496 66.446 -1.950 17614 6408 1 6 . 1 1 125 125 THR CB C 137 69.997 69.997 67.958 2.039 17614 6409 1 6 . 1 1 125 125 THR H H 137 7.963 7.963 8.344 -0.381 17614 6410 1 6 . 1 1 126 126 ASP N N 138 122.770 122.770 123.019 -0.249 17614 6411 1 6 . 1 1 126 126 ASP C C 138 178.458 178.458 178.189 0.269 17614 6412 1 6 . 1 1 126 126 ASP CA C 138 56.776 56.776 57.032 -0.256 17614 6413 1 6 . 1 1 126 126 ASP CB C 138 41.023 41.023 40.720 0.303 17614 6414 1 6 . 1 1 126 126 ASP H H 138 8.094 8.094 7.663 0.431 17614 6415 1 6 . 1 1 127 127 VAL N N 139 119.931 119.931 119.864 0.067 17614 6416 1 6 . 1 1 127 127 VAL C C 139 177.502 177.502 178.090 -0.588 17614 6417 1 6 . 1 1 127 127 VAL CA C 139 66.455 66.455 66.479 -0.024 17614 6418 1 6 . 1 1 127 127 VAL CB C 139 32.804 32.804 31.470 1.334 17614 6419 1 6 . 1 1 127 127 VAL H H 139 7.753 7.753 7.933 -0.180 17614 6420 1 6 . 1 1 128 128 VAL N N 140 120.539 120.539 120.086 0.453 17614 6421 1 6 . 1 1 128 128 VAL C C 140 176.232 176.232 178.349 -2.117 17614 6422 1 6 . 1 1 128 128 VAL CA C 140 66.770 66.770 66.977 -0.207 17614 6423 1 6 . 1 1 128 128 VAL CB C 140 32.086 32.086 30.943 1.143 17614 6424 1 6 . 1 1 128 128 VAL H H 140 8.295 8.295 8.137 0.158 17614 6425 1 6 . 1 1 129 129 LYS N N 141 120.122 120.122 120.304 -0.182 17614 6426 1 6 . 1 1 129 129 LYS C C 141 176.120 176.120 179.149 -3.029 17614 6427 1 6 . 1 1 129 129 LYS CA C 141 55.991 55.991 60.050 -4.059 17614 6428 1 6 . 1 1 129 129 LYS CB C 141 31.712 31.712 32.369 -0.657 17614 6429 1 6 . 1 1 129 129 LYS H H 141 7.698 7.698 7.616 0.082 17614 6430 1 6 . 1 1 130 130 VAL N N 142 120.104 120.104 117.071 3.033 17614 6431 1 6 . 1 1 130 130 VAL CA C 142 63.230 63.230 65.651 -2.421 17614 6432 1 6 . 1 1 130 130 VAL H H 142 7.772 7.772 7.375 0.397 17614 6433 1 6 . 1 1 131 131 ARG C C 143 178.401 178.401 178.281 0.120 17614 6434 1 6 . 1 1 131 131 ARG H H 143 7.999 7.999 8.091 -0.092 17614 6435 1 6 . 1 1 132 132 PHE N N 144 120.445 120.445 119.549 0.896 17614 6436 1 6 . 1 1 132 132 PHE C C 144 177.856 177.856 176.496 1.360 17614 6437 1 6 . 1 1 132 132 PHE CA C 144 61.438 61.438 61.056 0.382 17614 6438 1 6 . 1 1 132 132 PHE H H 144 8.395 8.395 8.603 -0.208 17614 6439 1 6 . 1 1 133 133 GLN N N 145 124.180 124.180 118.225 5.955 17614 6440 1 6 . 1 1 133 133 GLN C C 145 174.844 174.844 177.294 -2.450 17614 6441 1 6 . 1 1 133 133 GLN CA C 145 56.414 56.414 57.909 -1.495 17614 6442 1 6 . 1 1 133 133 GLN CB C 145 30.721 30.721 29.287 1.434 17614 6443 1 6 . 1 1 133 133 GLN H H 145 8.094 8.094 7.799 0.295 17614 6444 1 6 . 1 1 134 134 ALA N N 146 120.452 120.452 120.355 0.097 17614 6445 1 6 . 1 1 134 134 ALA C C 146 177.929 177.929 177.796 0.133 17614 6446 1 6 . 1 1 134 134 ALA CA C 146 53.483 53.483 53.275 0.208 17614 6447 1 6 . 1 1 134 134 ALA CB C 146 18.431 18.431 19.074 -0.643 17614 6448 1 6 . 1 1 134 134 ALA H H 146 7.939 7.939 7.381 0.558 17614 6449 1 6 . 1 1 135 135 GLN N N 147 119.388 119.388 118.084 1.304 17614 6450 1 6 . 1 1 135 135 GLN C C 147 176.029 176.029 174.969 1.060 17614 6451 1 6 . 1 1 135 135 GLN CA C 147 56.339 56.339 56.413 -0.074 17614 6452 1 6 . 1 1 135 135 GLN CB C 147 29.444 29.444 28.305 1.139 17614 6453 1 6 . 1 1 135 135 GLN H H 147 8.072 8.072 7.509 0.563 17614 6454 1 6 . 1 1 136 136 ALA N N 148 125.199 125.199 128.410 -3.211 17614 6455 1 6 . 1 1 136 136 ALA C C 148 177.766 177.766 178.266 -0.500 17614 6456 1 6 . 1 1 136 136 ALA CA C 148 53.108 53.108 52.801 0.307 17614 6457 1 6 . 1 1 136 136 ALA CB C 148 19.151 19.151 19.393 -0.242 17614 6458 1 6 . 1 1 136 136 ALA H H 148 8.055 8.055 8.333 -0.278 17614 6459 1 6 . 1 1 137 137 ARG N N 149 120.208 120.208 120.750 -0.542 17614 6460 1 6 . 1 1 137 137 ARG CA C 149 56.414 56.414 55.237 1.177 17614 6461 1 6 . 1 1 137 137 ARG CB C 149 30.749 30.749 29.616 1.133 17614 6462 1 6 . 1 1 137 137 ARG H H 149 8.018 8.018 8.413 -0.395 17614 6463 1 6 . 1 1 147 147 THR C C 159 175.928 175.928 176.346 -0.418 17614 6464 1 6 . 1 1 148 148 VAL N N 160 118.321 118.321 120.436 -2.115 17614 6465 1 6 . 1 1 148 148 VAL C C 160 177.749 177.749 177.688 0.061 17614 6466 1 6 . 1 1 148 148 VAL CA C 160 64.126 64.126 66.172 -2.046 17614 6467 1 6 . 1 1 148 148 VAL CB C 160 31.343 31.343 31.642 -0.299 17614 6468 1 6 . 1 1 148 148 VAL H H 160 8.073 8.073 7.937 0.136 17614 6469 1 6 . 1 1 149 149 GLU N N 161 122.379 122.379 119.818 2.561 17614 6470 1 6 . 1 1 149 149 GLU C C 161 178.783 178.783 178.231 0.552 17614 6471 1 6 . 1 1 149 149 GLU CA C 161 59.550 59.550 59.051 0.499 17614 6472 1 6 . 1 1 149 149 GLU CB C 161 29.597 29.597 29.286 0.311 17614 6473 1 6 . 1 1 149 149 GLU H H 161 8.204 8.204 8.587 -0.383 17614 6474 1 6 . 1 1 150 150 ALA N N 162 122.845 122.845 122.896 -0.051 17614 6475 1 6 . 1 1 150 150 ALA C C 162 179.948 179.948 179.275 0.673 17614 6476 1 6 . 1 1 150 150 ALA CA C 162 55.181 55.181 55.011 0.170 17614 6477 1 6 . 1 1 150 150 ALA CB C 162 18.154 18.154 18.585 -0.431 17614 6478 1 6 . 1 1 150 150 ALA H H 162 7.786 7.786 8.423 -0.637 17614 6479 1 6 . 1 1 151 151 TYR N N 163 118.902 118.902 119.810 -0.908 17614 6480 1 6 . 1 1 151 151 TYR C C 163 177.273 177.273 177.553 -0.280 17614 6481 1 6 . 1 1 151 151 TYR CA C 163 61.068 61.068 61.411 -0.343 17614 6482 1 6 . 1 1 151 151 TYR CB C 163 37.898 37.898 38.648 -0.750 17614 6483 1 6 . 1 1 151 151 TYR H H 163 7.922 7.922 7.849 0.073 17614 6484 1 6 . 1 1 152 152 LYS N N 164 119.939 119.939 118.384 1.555 17614 6485 1 6 . 1 1 152 152 LYS C C 164 178.239 178.239 179.025 -0.786 17614 6486 1 6 . 1 1 152 152 LYS CA C 164 60.309 60.309 59.410 0.899 17614 6487 1 6 . 1 1 152 152 LYS CB C 164 32.504 32.504 32.741 -0.237 17614 6488 1 6 . 1 1 152 152 LYS H H 164 8.223 8.223 7.710 0.513 17614 6489 1 6 . 1 1 153 153 THR N N 165 115.262 115.262 113.147 2.115 17614 6490 1 6 . 1 1 153 153 THR C C 165 175.676 175.676 176.627 -0.951 17614 6491 1 6 . 1 1 153 153 THR CA C 165 66.516 66.516 66.233 0.284 17614 6492 1 6 . 1 1 153 153 THR CB C 165 69.367 69.367 68.460 0.907 17614 6493 1 6 . 1 1 153 153 THR H H 165 7.745 7.745 7.645 0.100 17614 6494 1 6 . 1 1 154 154 ILE N N 166 121.571 121.571 118.188 3.383 17614 6495 1 6 . 1 1 154 154 ILE C C 166 177.307 177.307 177.089 0.218 17614 6496 1 6 . 1 1 154 154 ILE CA C 166 64.634 64.634 62.685 1.949 17614 6497 1 6 . 1 1 154 154 ILE CB C 166 38.896 38.896 35.515 3.381 17614 6498 1 6 . 1 1 154 154 ILE H H 166 7.540 7.540 7.516 0.024 17614 6499 1 6 . 1 1 155 155 ALA N N 167 121.983 121.983 123.116 -1.133 17614 6500 1 6 . 1 1 155 155 ALA C C 167 178.395 178.395 179.197 -0.802 17614 6501 1 6 . 1 1 155 155 ALA CA C 167 54.656 54.656 54.868 -0.212 17614 6502 1 6 . 1 1 155 155 ALA CB C 167 18.486 18.486 18.142 0.344 17614 6503 1 6 . 1 1 155 155 ALA H H 167 8.059 8.059 7.816 0.243 17614 6504 1 6 . 1 1 156 156 ARG N N 168 116.369 116.369 118.197 -1.828 17614 6505 1 6 . 1 1 156 156 ARG C C 168 177.307 177.307 178.240 -0.933 17614 6506 1 6 . 1 1 156 156 ARG CA C 168 58.486 58.486 58.921 -0.435 17614 6507 1 6 . 1 1 156 156 ARG CB C 168 30.930 30.930 29.991 0.939 17614 6508 1 6 . 1 1 156 156 ARG H H 168 7.690 7.690 7.503 0.187 17614 6509 1 6 . 1 1 157 157 GLU N N 169 118.667 118.667 117.839 0.828 17614 6510 1 6 . 1 1 157 157 GLU C C 169 177.696 177.696 178.398 -0.702 17614 6511 1 6 . 1 1 157 157 GLU CA C 169 58.212 58.212 58.499 -0.287 17614 6512 1 6 . 1 1 157 157 GLU CB C 169 30.357 30.357 30.213 0.144 17614 6513 1 6 . 1 1 157 157 GLU H H 169 8.045 8.045 7.667 0.378 17614 6514 1 6 . 1 1 158 158 GLU N N 170 118.202 118.202 116.930 1.272 17614 6515 1 6 . 1 1 158 158 GLU C C 170 177.878 177.878 176.736 1.142 17614 6516 1 6 . 1 1 158 158 GLU CA C 170 57.363 57.363 56.755 0.608 17614 6517 1 6 . 1 1 158 158 GLU CB C 170 31.277 31.277 30.661 0.616 17614 6518 1 6 . 1 1 158 158 GLU H H 170 8.550 8.550 8.563 -0.013 17614 6519 1 6 . 1 1 159 159 GLY N N 171 108.941 108.941 107.012 1.929 17614 6520 1 6 . 1 1 159 159 GLY C C 171 174.433 174.433 174.646 -0.213 17614 6521 1 6 . 1 1 159 159 GLY CA C 171 45.193 45.193 44.567 0.626 17614 6522 1 6 . 1 1 159 159 GLY H H 171 7.881 7.881 7.657 0.224 17614 6523 1 6 . 1 1 160 160 ILE N N 172 120.842 120.842 116.149 4.693 17614 6524 1 6 . 1 1 160 160 ILE C C 172 176.997 176.997 177.242 -0.245 17614 6525 1 6 . 1 1 160 160 ILE CA C 172 63.810 63.810 63.790 0.020 17614 6526 1 6 . 1 1 160 160 ILE CB C 172 38.516 38.516 38.138 0.378 17614 6527 1 6 . 1 1 160 160 ILE H H 172 8.550 8.550 8.291 0.259 17614 6528 1 6 . 1 1 161 161 ARG N N 173 119.480 119.480 119.962 -0.482 17614 6529 1 6 . 1 1 161 161 ARG C C 173 178.084 178.084 178.800 -0.716 17614 6530 1 6 . 1 1 161 161 ARG CA C 173 58.711 58.711 58.816 -0.105 17614 6531 1 6 . 1 1 161 161 ARG CB C 173 29.796 29.796 29.374 0.422 17614 6532 1 6 . 1 1 161 161 ARG H H 173 8.277 8.277 8.597 -0.320 17614 6533 1 6 . 1 1 162 162 GLY N N 174 106.379 106.379 106.532 -0.153 17614 6534 1 6 . 1 1 162 162 GLY C C 174 175.210 175.210 176.160 -0.950 17614 6535 1 6 . 1 1 162 162 GLY CA C 174 46.767 46.767 46.437 0.330 17614 6536 1 6 . 1 1 162 162 GLY H H 174 7.690 7.690 7.883 -0.193 17614 6537 1 6 . 1 1 163 163 LEU N N 175 120.664 120.664 121.867 -1.203 17614 6538 1 6 . 1 1 163 163 LEU C C 175 177.971 177.971 178.119 -0.148 17614 6539 1 6 . 1 1 163 163 LEU CA C 175 57.104 57.104 56.571 0.533 17614 6540 1 6 . 1 1 163 163 LEU CB C 175 42.559 42.559 42.378 0.181 17614 6541 1 6 . 1 1 163 163 LEU H H 175 7.554 7.554 7.203 0.351 17614 6542 1 6 . 1 1 164 164 TRP N N 176 117.031 117.031 119.092 -2.061 17614 6543 1 6 . 1 1 164 164 TRP C C 176 176.987 176.987 176.751 0.236 17614 6544 1 6 . 1 1 164 164 TRP CA C 176 57.672 57.672 59.111 -1.439 17614 6545 1 6 . 1 1 164 164 TRP CB C 176 29.796 29.796 29.460 0.336 17614 6546 1 6 . 1 1 164 164 TRP H H 176 7.499 7.499 8.143 -0.644 17614 6547 1 6 . 1 1 165 165 LYS N N 177 120.567 120.567 117.413 3.154 17614 6548 1 6 . 1 1 165 165 LYS C C 177 177.152 177.152 177.573 -0.421 17614 6549 1 6 . 1 1 165 165 LYS CA C 177 57.712 57.712 59.507 -1.795 17614 6550 1 6 . 1 1 165 165 LYS CB C 177 32.890 32.890 32.078 0.812 17614 6551 1 6 . 1 1 165 165 LYS H H 177 7.595 7.595 7.389 0.206 17614 6552 1 6 . 1 1 166 166 GLY N N 178 108.667 108.667 103.038 5.629 17614 6553 1 6 . 1 1 166 166 GLY C C 178 174.045 174.045 175.425 -1.380 17614 6554 1 6 . 1 1 166 166 GLY CA C 178 45.893 45.893 45.127 0.766 17614 6555 1 6 . 1 1 166 166 GLY H H 178 7.881 7.881 7.931 -0.050 17614 6556 1 6 . 1 1 167 167 THR N N 179 115.080 115.080 116.396 -1.316 17614 6557 1 6 . 1 1 167 167 THR C C 179 175.192 175.192 176.203 -1.011 17614 6558 1 6 . 1 1 167 167 THR CA C 179 66.521 66.521 65.546 0.976 17614 6559 1 6 . 1 1 167 167 THR CB C 179 70.079 70.079 67.368 2.711 17614 6560 1 6 . 1 1 167 167 THR H H 179 7.622 7.622 7.470 0.152 17614 6561 1 6 . 1 1 168 168 SER N N 180 117.754 117.754 117.138 0.616 17614 6562 1 6 . 1 1 168 168 SER CA C 180 63.123 63.123 62.196 0.927 17614 6563 1 6 . 1 1 168 168 SER CB C 180 62.045 62.045 61.408 0.637 17614 6564 1 6 . 1 1 168 168 SER H H 180 8.195 8.195 7.269 0.926 17614 6565 1 6 . 1 1 170 170 ASN C C 182 177.348 177.348 177.291 0.057 17614 6566 1 6 . 1 1 171 171 VAL N N 183 118.118 118.118 120.164 -2.046 17614 6567 1 6 . 1 1 171 171 VAL C C 183 176.944 176.944 177.410 -0.466 17614 6568 1 6 . 1 1 171 171 VAL CA C 183 65.244 65.244 66.360 -1.116 17614 6569 1 6 . 1 1 171 171 VAL CB C 183 32.508 32.508 31.755 0.753 17614 6570 1 6 . 1 1 171 171 VAL H H 183 7.861 7.861 7.621 0.240 17614 6571 1 6 . 1 1 172 172 ALA N N 184 122.284 122.284 121.600 0.684 17614 6572 1 6 . 1 1 172 172 ALA C C 184 178.317 178.317 179.482 -1.165 17614 6573 1 6 . 1 1 172 172 ALA CA C 184 55.339 55.339 55.236 0.103 17614 6574 1 6 . 1 1 172 172 ALA CB C 184 28.230 28.230 18.180 10.050 17614 6575 1 6 . 1 1 172 172 ALA H H 184 8.097 8.097 7.485 0.612 17614 6576 1 6 . 1 1 173 173 ARG N N 185 117.321 117.321 118.682 -1.361 17614 6577 1 6 . 1 1 173 173 ARG C C 185 177.527 177.527 178.831 -1.304 17614 6578 1 6 . 1 1 173 173 ARG CA C 185 59.543 59.543 59.923 -0.380 17614 6579 1 6 . 1 1 173 173 ARG CB C 185 29.767 29.767 29.926 -0.159 17614 6580 1 6 . 1 1 173 173 ARG H H 185 7.611 7.611 7.843 -0.232 17614 6581 1 6 . 1 1 174 174 ASN N N 186 117.294 117.294 118.181 -0.887 17614 6582 1 6 . 1 1 174 174 ASN C C 186 176.599 176.599 177.387 -0.788 17614 6583 1 6 . 1 1 174 174 ASN CA C 186 56.659 56.659 56.188 0.471 17614 6584 1 6 . 1 1 174 174 ASN CB C 186 39.454 39.454 38.115 1.339 17614 6585 1 6 . 1 1 174 174 ASN H H 186 8.048 8.048 7.700 0.348 17614 6586 1 6 . 1 1 175 175 ALA N N 187 121.003 121.003 123.390 -2.387 17614 6587 1 6 . 1 1 175 175 ALA C C 187 178.713 178.713 179.637 -0.924 17614 6588 1 6 . 1 1 175 175 ALA CA C 187 55.520 55.520 54.861 0.659 17614 6589 1 6 . 1 1 175 175 ALA CB C 187 18.097 18.097 18.698 -0.601 17614 6590 1 6 . 1 1 175 175 ALA H H 187 7.322 7.322 7.559 -0.237 17614 6591 1 6 . 1 1 176 176 ILE N N 188 119.319 119.319 119.574 -0.255 17614 6592 1 6 . 1 1 176 176 ILE C C 188 176.634 176.634 177.836 -1.202 17614 6593 1 6 . 1 1 176 176 ILE CA C 188 64.225 64.225 64.881 -0.656 17614 6594 1 6 . 1 1 176 176 ILE CB C 188 37.658 37.658 37.943 -0.285 17614 6595 1 6 . 1 1 176 176 ILE H H 188 7.779 7.779 8.373 -0.594 17614 6596 1 6 . 1 1 177 177 VAL N N 189 117.265 117.265 118.700 -1.435 17614 6597 1 6 . 1 1 177 177 VAL C C 189 177.529 177.529 177.799 -0.270 17614 6598 1 6 . 1 1 177 177 VAL CA C 189 65.562 65.562 66.551 -0.989 17614 6599 1 6 . 1 1 177 177 VAL CB C 189 31.407 31.407 30.965 0.442 17614 6600 1 6 . 1 1 177 177 VAL H H 189 7.776 7.776 7.988 -0.212 17614 6601 1 6 . 1 1 178 178 ASN N N 190 118.736 118.736 119.653 -0.917 17614 6602 1 6 . 1 1 178 178 ASN C C 190 176.476 176.476 177.783 -1.307 17614 6603 1 6 . 1 1 178 178 ASN CA C 190 56.813 56.813 56.381 0.432 17614 6604 1 6 . 1 1 178 178 ASN CB C 190 38.268 38.268 37.761 0.507 17614 6605 1 6 . 1 1 178 178 ASN H H 190 7.800 7.800 7.610 0.190 17614 6606 1 6 . 1 1 179 179 CYS N N 191 120.152 120.152 119.259 0.893 17614 6607 1 6 . 1 1 179 179 CYS C C 191 175.831 175.831 176.562 -0.731 17614 6608 1 6 . 1 1 179 179 CYS CA C 191 60.293 60.293 64.345 -4.052 17614 6609 1 6 . 1 1 179 179 CYS CB C 191 41.566 41.566 27.541 14.025 17614 6610 1 6 . 1 1 179 179 CYS H H 191 7.784 7.784 8.003 -0.219 17614 6611 1 6 . 1 1 180 180 ALA N N 192 121.963 121.963 122.082 -0.119 17614 6612 1 6 . 1 1 180 180 ALA C C 192 178.395 178.395 179.312 -0.917 17614 6613 1 6 . 1 1 180 180 ALA CA C 192 55.280 55.280 55.248 0.032 17614 6614 1 6 . 1 1 180 180 ALA CB C 192 18.008 18.008 18.147 -0.139 17614 6615 1 6 . 1 1 180 180 ALA H H 192 8.141 8.141 8.676 -0.535 17614 6616 1 6 . 1 1 181 181 GLU N N 193 114.548 114.548 119.330 -4.782 17614 6617 1 6 . 1 1 181 181 GLU C C 193 176.764 176.764 178.743 -1.979 17614 6618 1 6 . 1 1 181 181 GLU CA C 193 58.262 58.262 59.329 -1.067 17614 6619 1 6 . 1 1 181 181 GLU CB C 193 29.342 29.342 29.285 0.057 17614 6620 1 6 . 1 1 181 181 GLU H H 193 7.595 7.595 8.349 -0.754 17614 6621 1 6 . 1 1 182 182 LEU N N 194 117.659 117.659 120.411 -2.752 17614 6622 1 6 . 1 1 182 182 LEU C C 194 176.904 176.904 178.629 -1.725 17614 6623 1 6 . 1 1 182 182 LEU CA C 194 55.695 55.695 58.133 -2.438 17614 6624 1 6 . 1 1 182 182 LEU CB C 194 41.655 41.655 41.725 -0.070 17614 6625 1 6 . 1 1 182 182 LEU H H 194 7.459 7.459 7.934 -0.475 17614 6626 1 6 . 1 1 183 183 VAL N N 195 117.842 117.842 115.568 2.274 17614 6627 1 6 . 1 1 183 183 VAL C C 195 177.150 177.150 178.104 -0.954 17614 6628 1 6 . 1 1 183 183 VAL CA C 195 64.054 64.054 66.296 -2.242 17614 6629 1 6 . 1 1 183 183 VAL CB C 195 31.079 31.079 30.488 0.591 17614 6630 1 6 . 1 1 183 183 VAL H H 195 7.363 7.363 7.406 -0.043 17614 6631 1 6 . 1 1 184 184 THR N N 196 122.439 122.439 117.938 4.501 17614 6632 1 6 . 1 1 184 184 THR C C 196 175.055 175.055 176.715 -1.660 17614 6633 1 6 . 1 1 184 184 THR CA C 196 65.500 65.500 66.728 -1.228 17614 6634 1 6 . 1 1 184 184 THR CB C 196 69.490 69.490 68.868 0.622 17614 6635 1 6 . 1 1 184 184 THR H H 196 7.940 7.940 7.769 0.171 17614 6636 1 6 . 1 1 185 185 TYR N N 197 122.430 122.430 122.015 0.415 17614 6637 1 6 . 1 1 185 185 TYR C C 197 177.152 177.152 177.145 0.007 17614 6638 1 6 . 1 1 185 185 TYR CA C 197 61.892 61.892 61.362 0.530 17614 6639 1 6 . 1 1 185 185 TYR CB C 197 38.085 38.085 38.474 -0.390 17614 6640 1 6 . 1 1 185 185 TYR H H 197 9.123 9.123 8.848 0.275 17614 6641 1 6 . 1 1 186 186 ASP N N 198 117.750 117.750 119.006 -1.256 17614 6642 1 6 . 1 1 186 186 ASP C C 198 177.696 177.696 178.300 -0.604 17614 6643 1 6 . 1 1 186 186 ASP CA C 198 57.822 57.822 57.551 0.271 17614 6644 1 6 . 1 1 186 186 ASP CB C 198 40.500 40.500 40.679 -0.179 17614 6645 1 6 . 1 1 186 186 ASP H H 198 8.263 8.263 7.828 0.435 17614 6646 1 6 . 1 1 187 187 LEU N N 199 120.698 120.698 118.525 2.173 17614 6647 1 6 . 1 1 187 187 LEU C C 199 180.104 180.104 178.866 1.238 17614 6648 1 6 . 1 1 187 187 LEU CA C 199 58.092 58.092 57.741 0.351 17614 6649 1 6 . 1 1 187 187 LEU CB C 199 42.559 42.559 41.382 1.177 17614 6650 1 6 . 1 1 187 187 LEU H H 199 7.636 7.636 7.438 0.198 17614 6651 1 6 . 1 1 188 188 ILE N N 200 121.136 121.136 118.539 2.597 17614 6652 1 6 . 1 1 188 188 ILE C C 200 176.919 176.919 178.229 -1.310 17614 6653 1 6 . 1 1 188 188 ILE CA C 200 65.482 65.482 63.277 2.205 17614 6654 1 6 . 1 1 188 188 ILE CB C 200 37.949 37.949 36.346 1.603 17614 6655 1 6 . 1 1 188 188 ILE H H 200 7.718 7.718 7.323 0.395 17614 6656 1 6 . 1 1 189 189 LYS N N 201 120.587 120.587 118.827 1.760 17614 6657 1 6 . 1 1 189 189 LYS C C 201 177.696 177.696 178.447 -0.751 17614 6658 1 6 . 1 1 189 189 LYS CA C 201 60.683 60.683 58.726 1.957 17614 6659 1 6 . 1 1 189 189 LYS CB C 201 31.809 31.809 32.047 -0.239 17614 6660 1 6 . 1 1 189 189 LYS H H 201 8.291 8.291 7.577 0.714 17614 6661 1 6 . 1 1 190 190 ASP N N 202 117.936 117.936 116.563 1.373 17614 6662 1 6 . 1 1 190 190 ASP C C 202 178.395 178.395 176.780 1.615 17614 6663 1 6 . 1 1 190 190 ASP CA C 202 57.672 57.672 55.962 1.710 17614 6664 1 6 . 1 1 190 190 ASP CB C 202 41.355 41.355 41.207 0.148 17614 6665 1 6 . 1 1 190 190 ASP H H 202 8.182 8.182 7.601 0.581 17614 6666 1 6 . 1 1 191 191 THR N N 203 115.914 115.914 114.153 1.761 17614 6667 1 6 . 1 1 191 191 THR CA C 203 61.190 61.190 62.209 -1.019 17614 6668 1 6 . 1 1 191 191 THR CB C 203 68.738 68.738 69.368 -0.630 17614 6669 1 6 . 1 1 191 191 THR H H 203 7.690 7.690 7.429 0.261 17614 6670 1 6 . 1 1 192 192 LEU C C 204 176.047 176.047 175.986 0.061 17614 6671 1 6 . 1 1 192 192 LEU H H 204 8.051 8.051 8.753 -0.702 17614 6672 1 6 . 1 1 193 193 LEU N N 205 118.768 118.768 117.198 1.570 17614 6673 1 6 . 1 1 193 193 LEU C C 205 179.871 179.871 177.096 2.775 17614 6674 1 6 . 1 1 193 193 LEU CA C 205 55.867 55.867 54.145 1.722 17614 6675 1 6 . 1 1 193 193 LEU CB C 205 41.887 41.887 41.901 -0.014 17614 6676 1 6 . 1 1 193 193 LEU H H 205 7.977 7.977 7.693 0.284 17614 6677 1 6 . 1 1 194 194 LYS N N 206 119.775 119.775 119.837 -0.062 17614 6678 1 6 . 1 1 194 194 LYS C C 206 177.318 177.318 176.887 0.431 17614 6679 1 6 . 1 1 194 194 LYS CA C 206 58.461 58.461 57.974 0.487 17614 6680 1 6 . 1 1 194 194 LYS CB C 206 32.734 32.734 32.564 0.170 17614 6681 1 6 . 1 1 194 194 LYS H H 206 7.677 7.677 8.074 -0.397 17614 6682 1 6 . 1 1 195 195 ALA N N 207 120.757 120.757 119.855 0.902 17614 6683 1 6 . 1 1 195 195 ALA C C 207 176.531 176.531 176.467 0.064 17614 6684 1 6 . 1 1 195 195 ALA CA C 207 53.083 53.083 52.159 0.924 17614 6685 1 6 . 1 1 195 195 ALA CB C 207 18.960 18.960 18.613 0.347 17614 6686 1 6 . 1 1 195 195 ALA H H 207 7.565 7.565 7.559 0.006 17614 6687 1 6 . 1 1 196 196 ASN N N 208 115.463 115.463 116.607 -1.144 17614 6688 1 6 . 1 1 196 196 ASN C C 208 174.822 174.822 175.183 -0.361 17614 6689 1 6 . 1 1 196 196 ASN CA C 208 54.351 54.351 54.157 0.194 17614 6690 1 6 . 1 1 196 196 ASN CB C 208 38.160 38.160 37.805 0.355 17614 6691 1 6 . 1 1 196 196 ASN H H 208 7.936 7.936 8.209 -0.273 17614 6692 1 6 . 1 1 200 200 ASP C C 212 174.735 174.735 175.102 -0.367 17614 6693 1 6 . 1 1 201 201 ASP N N 213 116.363 116.363 120.624 -4.261 17614 6694 1 6 . 1 1 201 201 ASP C C 213 175.553 175.553 177.179 -1.626 17614 6695 1 6 . 1 1 201 201 ASP CA C 213 54.890 54.890 54.517 0.373 17614 6696 1 6 . 1 1 201 201 ASP CB C 213 38.846 38.846 39.892 -1.046 17614 6697 1 6 . 1 1 201 201 ASP H H 213 8.129 8.129 8.402 -0.273 17614 6698 1 6 . 1 1 202 202 LEU N N 214 119.486 119.486 120.410 -0.924 17614 6699 1 6 . 1 1 202 202 LEU CA C 214 59.766 59.766 58.760 1.006 17614 6700 1 6 . 1 1 202 202 LEU CB C 214 39.579 39.579 39.391 0.188 17614 6701 1 6 . 1 1 202 202 LEU H H 214 7.821 7.821 8.446 -0.625 17614 6702 1 6 . 1 1 203 203 PRO C C 215 177.971 177.971 179.209 -1.238 17614 6703 1 6 . 1 1 203 203 PRO CA C 215 65.938 65.938 65.607 0.331 17614 6704 1 6 . 1 1 203 203 PRO CB C 215 30.006 30.006 31.140 -1.133 17614 6705 1 6 . 1 1 204 204 CYS N N 216 114.211 114.211 116.255 -2.044 17614 6706 1 6 . 1 1 204 204 CYS C C 216 176.142 176.142 177.082 -0.940 17614 6707 1 6 . 1 1 204 204 CYS CA C 216 58.773 58.773 62.302 -3.529 17614 6708 1 6 . 1 1 204 204 CYS CB C 216 40.906 40.906 27.084 13.822 17614 6709 1 6 . 1 1 204 204 CYS H H 216 8.269 8.269 8.327 -0.058 17614 6710 1 6 . 1 1 205 205 HIS N N 217 120.491 120.491 120.842 -0.351 17614 6711 1 6 . 1 1 205 205 HIS C C 217 176.747 176.747 177.348 -0.601 17614 6712 1 6 . 1 1 205 205 HIS CA C 217 57.198 57.198 58.381 -1.183 17614 6713 1 6 . 1 1 205 205 HIS CB C 217 29.886 29.886 29.375 0.510 17614 6714 1 6 . 1 1 205 205 HIS H H 217 7.301 7.301 7.753 -0.452 17614 6715 1 6 . 1 1 206 206 PHE N N 218 120.501 120.501 119.405 1.096 17614 6716 1 6 . 1 1 206 206 PHE C C 218 176.187 176.187 177.120 -0.933 17614 6717 1 6 . 1 1 206 206 PHE CA C 218 59.045 59.045 61.714 -2.669 17614 6718 1 6 . 1 1 206 206 PHE CB C 218 38.901 38.901 38.947 -0.046 17614 6719 1 6 . 1 1 206 206 PHE H H 218 8.127 8.127 8.122 0.005 17614 6720 1 6 . 1 1 207 207 THR N N 219 112.682 112.682 112.573 0.109 17614 6721 1 6 . 1 1 207 207 THR C C 219 175.997 175.997 176.736 -0.739 17614 6722 1 6 . 1 1 207 207 THR CA C 219 64.319 64.319 66.339 -2.020 17614 6723 1 6 . 1 1 207 207 THR CB C 219 63.282 63.282 68.269 -4.987 17614 6724 1 6 . 1 1 207 207 THR H H 219 7.977 7.977 7.934 0.043 17614 6725 1 6 . 1 1 208 208 SER N N 220 117.589 117.589 118.173 -0.584 17614 6726 1 6 . 1 1 208 208 SER C C 220 175.055 175.055 176.558 -1.503 17614 6727 1 6 . 1 1 208 208 SER CA C 220 61.344 61.344 61.550 -0.206 17614 6728 1 6 . 1 1 208 208 SER CB C 220 63.440 63.440 62.852 0.588 17614 6729 1 6 . 1 1 208 208 SER H H 220 8.004 8.004 7.736 0.268 17614 6730 1 6 . 1 1 209 209 ALA N N 221 123.860 123.860 124.166 -0.306 17614 6731 1 6 . 1 1 209 209 ALA C C 221 177.618 177.618 179.086 -1.468 17614 6732 1 6 . 1 1 209 209 ALA CA C 221 53.932 53.932 54.771 -0.839 17614 6733 1 6 . 1 1 209 209 ALA CB C 221 18.891 18.891 18.293 0.599 17614 6734 1 6 . 1 1 209 209 ALA H H 221 7.704 7.704 7.584 0.120 17614 6735 1 6 . 1 1 210 210 PHE N N 222 116.073 116.073 119.965 -3.892 17614 6736 1 6 . 1 1 210 210 PHE C C 222 176.142 176.142 177.588 -1.446 17614 6737 1 6 . 1 1 210 210 PHE CA C 222 58.271 58.271 61.554 -3.283 17614 6738 1 6 . 1 1 210 210 PHE CB C 222 39.554 39.554 38.942 0.612 17614 6739 1 6 . 1 1 210 210 PHE H H 222 7.718 7.718 8.019 -0.301 17614 6740 1 6 . 1 1 211 211 GLY N N 223 108.578 108.578 106.189 2.389 17614 6741 1 6 . 1 1 211 211 GLY C C 223 173.889 173.889 175.536 -1.647 17614 6742 1 6 . 1 1 211 211 GLY CA C 223 45.993 45.993 47.070 -1.077 17614 6743 1 6 . 1 1 211 211 GLY H H 223 7.909 7.909 8.074 -0.165 17614 6744 1 6 . 1 1 212 212 ALA N N 224 123.322 123.322 124.379 -1.057 17614 6745 1 6 . 1 1 212 212 ALA C C 224 178.550 178.550 179.736 -1.186 17614 6746 1 6 . 1 1 212 212 ALA CA C 224 53.608 53.608 54.687 -1.079 17614 6747 1 6 . 1 1 212 212 ALA CB C 224 19.069 19.069 18.286 0.783 17614 6748 1 6 . 1 1 212 212 ALA H H 224 8.018 8.018 7.867 0.151 17614 6749 1 6 . 1 1 213 213 GLY N N 225 107.935 107.935 107.562 0.373 17614 6750 1 6 . 1 1 213 213 GLY C C 225 175.389 175.389 175.858 -0.469 17614 6751 1 6 . 1 1 213 213 GLY CA C 225 46.967 46.967 46.858 0.109 17614 6752 1 6 . 1 1 213 213 GLY H H 225 8.304 8.304 8.535 -0.231 17614 6753 1 6 . 1 1 214 214 PHE N N 226 122.440 122.440 122.030 0.410 17614 6754 1 6 . 1 1 214 214 PHE C C 226 176.998 176.998 177.910 -0.912 17614 6755 1 6 . 1 1 214 214 PHE CA C 226 60.673 60.673 60.952 -0.279 17614 6756 1 6 . 1 1 214 214 PHE CB C 226 38.319 38.319 38.904 -0.585 17614 6757 1 6 . 1 1 214 214 PHE H H 226 8.045 8.045 7.799 0.246 17614 6758 1 6 . 1 1 215 215 CYS N N 227 116.562 116.562 117.767 -1.205 17614 6759 1 6 . 1 1 215 215 CYS CA C 227 61.301 61.301 63.512 -2.211 17614 6760 1 6 . 1 1 215 215 CYS CB C 227 41.286 41.286 27.547 13.739 17614 6761 1 6 . 1 1 215 215 CYS H H 227 8.016 8.016 7.609 0.407 17614 6762 1 6 . 1 1 216 216 THR C C 228 176.437 176.437 176.165 0.272 17614 6763 1 6 . 1 1 216 216 THR H H 228 8.410 8.410 8.493 -0.083 17614 6764 1 6 . 1 1 217 217 THR N N 229 115.234 115.234 116.952 -1.718 17614 6765 1 6 . 1 1 217 217 THR C C 229 176.749 176.749 176.525 0.224 17614 6766 1 6 . 1 1 217 217 THR CA C 229 65.980 65.980 66.051 -0.071 17614 6767 1 6 . 1 1 217 217 THR CB C 229 67.443 67.443 67.807 -0.364 17614 6768 1 6 . 1 1 217 217 THR H H 229 8.188 8.188 8.200 -0.012 17614 6769 1 6 . 1 1 218 218 VAL N N 230 120.723 120.723 122.428 -1.705 17614 6770 1 6 . 1 1 218 218 VAL C C 230 177.983 177.983 178.689 -0.706 17614 6771 1 6 . 1 1 218 218 VAL CA C 230 66.832 66.832 65.876 0.955 17614 6772 1 6 . 1 1 218 218 VAL CB C 230 31.168 31.168 31.577 -0.409 17614 6773 1 6 . 1 1 218 218 VAL H H 230 8.027 8.027 7.380 0.647 17614 6774 1 6 . 1 1 219 219 ILE N N 231 120.541 120.541 120.239 0.302 17614 6775 1 6 . 1 1 219 219 ILE C C 231 177.368 177.368 177.511 -0.143 17614 6776 1 6 . 1 1 219 219 ILE CA C 231 65.575 65.575 63.469 2.106 17614 6777 1 6 . 1 1 219 219 ILE CB C 231 37.722 37.722 37.062 0.660 17614 6778 1 6 . 1 1 219 219 ILE H H 231 8.458 8.458 7.281 1.177 17614 6779 1 6 . 1 1 220 220 ALA N N 232 122.766 122.766 121.585 1.181 17614 6780 1 6 . 1 1 220 220 ALA C C 232 178.847 178.847 179.500 -0.653 17614 6781 1 6 . 1 1 220 220 ALA CA C 232 55.252 55.252 55.334 -0.082 17614 6782 1 6 . 1 1 220 220 ALA CB C 232 17.874 17.874 18.378 -0.504 17614 6783 1 6 . 1 1 220 220 ALA H H 232 8.589 8.589 8.366 0.223 17614 6784 1 6 . 1 1 221 221 SER N N 233 113.387 113.387 114.563 -1.176 17614 6785 1 6 . 1 1 221 221 SER CA C 233 62.348 62.348 63.077 -0.729 17614 6786 1 6 . 1 1 221 221 SER CB C 233 61.630 61.630 60.838 0.792 17614 6787 1 6 . 1 1 221 221 SER H H 233 8.218 8.218 8.504 -0.286 17614 6788 1 6 . 1 1 222 222 PRO C C 234 178.221 178.221 178.544 -0.323 17614 6789 1 6 . 1 1 223 223 VAL N N 235 116.087 116.087 114.791 1.296 17614 6790 1 6 . 1 1 223 223 VAL C C 235 177.089 177.089 177.774 -0.685 17614 6791 1 6 . 1 1 223 223 VAL CA C 235 65.072 65.072 65.417 -0.345 17614 6792 1 6 . 1 1 223 223 VAL CB C 235 31.084 31.084 31.323 -0.239 17614 6793 1 6 . 1 1 223 223 VAL H H 235 8.142 8.142 7.386 0.756 17614 6794 1 6 . 1 1 224 224 ASP N N 236 121.556 121.556 120.020 1.536 17614 6795 1 6 . 1 1 224 224 ASP C C 236 177.422 177.422 178.320 -0.898 17614 6796 1 6 . 1 1 224 224 ASP CA C 236 57.135 57.135 56.712 0.422 17614 6797 1 6 . 1 1 224 224 ASP CB C 236 40.065 40.065 40.640 -0.575 17614 6798 1 6 . 1 1 224 224 ASP H H 236 7.932 7.932 7.636 0.296 17614 6799 1 6 . 1 1 225 225 VAL N N 237 117.233 117.233 120.655 -3.422 17614 6800 1 6 . 1 1 225 225 VAL CA C 237 64.977 64.977 65.554 -0.577 17614 6801 1 6 . 1 1 225 225 VAL CB C 237 31.013 31.013 31.429 -0.416 17614 6802 1 6 . 1 1 225 225 VAL H H 237 7.710 7.710 7.699 0.011 17614 6803 1 6 . 1 1 226 226 VAL C C 238 177.584 177.584 176.654 0.930 17614 6804 1 6 . 1 1 226 226 VAL H H 238 7.607 7.607 7.496 0.111 17614 6805 1 6 . 1 1 227 227 LYS N N 239 120.095 120.095 116.705 3.390 17614 6806 1 6 . 1 1 227 227 LYS C C 239 178.678 178.678 178.020 0.658 17614 6807 1 6 . 1 1 227 227 LYS CA C 239 58.483 58.483 59.063 -0.580 17614 6808 1 6 . 1 1 227 227 LYS CB C 239 31.863 31.863 32.573 -0.710 17614 6809 1 6 . 1 1 227 227 LYS H H 239 7.761 7.761 7.533 0.228 17614 6810 1 6 . 1 1 228 228 THR N N 240 115.247 115.247 109.583 5.664 17614 6811 1 6 . 1 1 228 228 THR C C 240 175.093 175.093 176.115 -1.022 17614 6812 1 6 . 1 1 228 228 THR CA C 240 66.458 66.458 63.530 2.928 17614 6813 1 6 . 1 1 228 228 THR CB C 240 68.011 68.011 69.235 -1.224 17614 6814 1 6 . 1 1 228 228 THR H H 240 7.761 7.761 7.601 0.160 17614 6815 1 6 . 1 1 229 229 ARG N N 241 119.633 119.633 123.154 -3.521 17614 6816 1 6 . 1 1 229 229 ARG CA C 241 57.133 57.133 57.980 -0.848 17614 6817 1 6 . 1 1 229 229 ARG CB C 241 31.218 31.218 30.371 0.847 17614 6818 1 6 . 1 1 229 229 ARG H H 241 7.383 7.383 8.008 -0.625 17614 6819 1 6 . 1 1 230 230 TYR C C 242 174.956 174.956 174.747 0.209 17614 6820 1 6 . 1 1 230 230 TYR H H 242 8.699 8.699 8.374 0.325 17614 6821 1 6 . 1 1 231 231 MET N N 243 118.458 118.458 123.558 -5.100 17614 6822 1 6 . 1 1 231 231 MET C C 243 175.676 175.676 174.746 0.930 17614 6823 1 6 . 1 1 231 231 MET CA C 243 54.417 54.417 54.781 -0.364 17614 6824 1 6 . 1 1 231 231 MET H H 243 7.442 7.442 8.119 -0.677 17614 6825 1 6 . 1 1 232 232 ASN N N 244 116.369 116.369 122.394 -6.025 17614 6826 1 6 . 1 1 232 232 ASN C C 244 174.919 174.919 174.418 0.501 17614 6827 1 6 . 1 1 232 232 ASN CA C 244 59.470 59.470 53.261 6.209 17614 6828 1 6 . 1 1 232 232 ASN CB C 244 39.079 39.079 40.131 -1.052 17614 6829 1 6 . 1 1 232 232 ASN H H 244 7.772 7.772 8.243 -0.471 17614 6830 1 6 . 1 1 233 233 SER N N 245 114.568 114.568 119.708 -5.140 17614 6831 1 6 . 1 1 233 233 SER C C 245 175.695 175.695 173.504 2.191 17614 6832 1 6 . 1 1 233 233 SER CA C 245 53.852 53.852 58.589 -4.737 17614 6833 1 6 . 1 1 233 233 SER CB C 245 61.232 61.232 63.040 -1.808 17614 6834 1 6 . 1 1 233 233 SER H H 245 8.475 8.475 8.092 0.383 17614 6835 1 6 . 1 1 234 234 ALA N N 246 127.283 127.283 123.190 4.093 17614 6836 1 6 . 1 1 234 234 ALA C C 246 177.128 177.128 176.871 0.257 17614 6837 1 6 . 1 1 234 234 ALA CA C 246 56.803 56.803 51.913 4.889 17614 6838 1 6 . 1 1 234 234 ALA CB C 246 18.901 18.901 19.624 -0.723 17614 6839 1 6 . 1 1 234 234 ALA H H 246 7.929 7.929 8.033 -0.104 17614 6840 1 6 . 1 1 235 235 LEU N N 247 118.112 118.112 121.945 -3.833 17614 6841 1 6 . 1 1 235 235 LEU C C 247 176.723 176.723 176.826 -0.103 17614 6842 1 6 . 1 1 235 235 LEU CA C 247 54.156 54.156 54.876 -0.720 17614 6843 1 6 . 1 1 235 235 LEU CB C 247 41.215 41.215 41.817 -0.602 17614 6844 1 6 . 1 1 235 235 LEU H H 247 7.922 7.922 7.996 -0.074 17614 6845 1 6 . 1 1 236 236 GLY N N 248 107.203 107.203 109.372 -2.169 17614 6846 1 6 . 1 1 236 236 GLY CA C 248 44.558 44.558 44.403 0.155 17614 6847 1 6 . 1 1 236 236 GLY H H 248 8.318 8.318 8.294 0.024 17614 6848 1 6 . 1 1 238 238 TYR C C 250 175.942 175.942 175.199 0.743 17614 6849 1 6 . 1 1 238 238 TYR H H 250 8.134 8.134 8.662 -0.528 17614 6850 1 6 . 1 1 239 239 HIS N N 251 123.281 123.281 117.848 5.433 17614 6851 1 6 . 1 1 239 239 HIS C C 251 174.531 174.531 174.531 0.000 17614 6852 1 6 . 1 1 239 239 HIS CA C 251 58.931 58.931 58.266 0.665 17614 6853 1 6 . 1 1 239 239 HIS CB C 251 29.525 29.525 30.698 -1.173 17614 6854 1 6 . 1 1 239 239 HIS H H 251 8.184 8.184 8.506 -0.322 17614 6855 1 6 . 1 1 240 240 SER N N 252 110.038 110.038 109.414 0.624 17614 6856 1 6 . 1 1 240 240 SER C C 252 174.429 174.429 174.068 0.361 17614 6857 1 6 . 1 1 240 240 SER CA C 252 57.452 57.452 57.483 -0.032 17614 6858 1 6 . 1 1 240 240 SER CB C 252 65.022 65.022 65.643 -0.621 17614 6859 1 6 . 1 1 240 240 SER H H 252 8.010 8.010 7.793 0.217 17614 6860 1 6 . 1 1 241 241 ALA N N 253 123.034 123.034 124.408 -1.374 17614 6861 1 6 . 1 1 241 241 ALA C C 253 179.249 179.249 179.960 -0.711 17614 6862 1 6 . 1 1 241 241 ALA CA C 253 54.981 54.981 54.632 0.349 17614 6863 1 6 . 1 1 241 241 ALA CB C 253 19.069 19.069 18.691 0.379 17614 6864 1 6 . 1 1 241 241 ALA H H 253 8.034 8.034 8.596 -0.562 17614 6865 1 6 . 1 1 242 242 GLY N N 254 106.379 106.379 106.217 0.162 17614 6866 1 6 . 1 1 242 242 GLY C C 254 174.433 174.433 175.682 -1.249 17614 6867 1 6 . 1 1 242 242 GLY CA C 254 47.615 47.615 46.911 0.704 17614 6868 1 6 . 1 1 242 242 GLY H H 254 8.427 8.427 8.699 -0.272 17614 6869 1 6 . 1 1 243 243 HIS N N 255 121.119 121.119 121.359 -0.240 17614 6870 1 6 . 1 1 243 243 HIS C C 255 178.084 178.084 176.775 1.309 17614 6871 1 6 . 1 1 243 243 HIS CA C 255 60.144 60.144 58.964 1.181 17614 6872 1 6 . 1 1 243 243 HIS CB C 255 33.073 33.073 29.911 3.162 17614 6873 1 6 . 1 1 243 243 HIS H H 255 8.304 8.304 7.907 0.397 17614 6874 1 6 . 1 1 244 244 CYS N N 256 117.946 117.946 118.721 -0.775 17614 6875 1 6 . 1 1 244 244 CYS C C 256 175.453 175.453 176.874 -1.421 17614 6876 1 6 . 1 1 244 244 CYS CA C 256 58.668 58.668 62.409 -3.741 17614 6877 1 6 . 1 1 244 244 CYS CB C 256 41.434 41.434 26.355 15.079 17614 6878 1 6 . 1 1 244 244 CYS H H 256 8.168 8.168 7.796 0.372 17614 6879 1 6 . 1 1 245 245 ALA N N 257 123.138 123.138 123.516 -0.378 17614 6880 1 6 . 1 1 245 245 ALA C C 257 179.489 179.489 179.492 -0.003 17614 6881 1 6 . 1 1 245 245 ALA CA C 257 54.589 54.589 55.134 -0.545 17614 6882 1 6 . 1 1 245 245 ALA CB C 257 17.675 17.675 18.226 -0.551 17614 6883 1 6 . 1 1 245 245 ALA H H 257 7.932 7.932 7.385 0.547 17614 6884 1 6 . 1 1 246 246 LEU N N 258 119.779 119.779 118.352 1.427 17614 6885 1 6 . 1 1 246 246 LEU C C 258 178.234 178.234 179.198 -0.964 17614 6886 1 6 . 1 1 246 246 LEU CA C 258 56.967 56.967 58.025 -1.058 17614 6887 1 6 . 1 1 246 246 LEU CB C 258 41.067 41.067 41.326 -0.259 17614 6888 1 6 . 1 1 246 246 LEU H H 258 7.681 7.681 7.707 -0.026 17614 6889 1 6 . 1 1 247 247 THR N N 259 114.552 114.552 113.552 1.000 17614 6890 1 6 . 1 1 247 247 THR C C 259 176.244 176.244 176.553 -0.309 17614 6891 1 6 . 1 1 247 247 THR CA C 259 66.511 66.511 65.602 0.909 17614 6892 1 6 . 1 1 247 247 THR CB C 259 67.274 67.274 68.213 -0.939 17614 6893 1 6 . 1 1 247 247 THR H H 259 7.855 7.855 8.294 -0.439 17614 6894 1 6 . 1 1 248 248 MET N N 260 118.862 118.862 122.336 -3.474 17614 6895 1 6 . 1 1 248 248 MET C C 260 177.094 177.094 177.729 -0.635 17614 6896 1 6 . 1 1 248 248 MET CA C 260 58.532 58.532 59.094 -0.562 17614 6897 1 6 . 1 1 248 248 MET CB C 260 32.288 32.288 32.626 -0.338 17614 6898 1 6 . 1 1 248 248 MET H H 260 8.296 8.296 8.288 0.008 17614 6899 1 6 . 1 1 249 249 LEU N N 261 116.839 116.839 118.642 -1.803 17614 6900 1 6 . 1 1 249 249 LEU C C 261 178.162 178.162 179.372 -1.210 17614 6901 1 6 . 1 1 249 249 LEU CA C 261 58.167 58.167 57.419 0.748 17614 6902 1 6 . 1 1 249 249 LEU CB C 261 42.202 42.202 41.436 0.766 17614 6903 1 6 . 1 1 249 249 LEU H H 261 8.053 8.053 7.524 0.529 17614 6904 1 6 . 1 1 250 250 ARG N N 262 116.821 116.821 117.492 -0.671 17614 6905 1 6 . 1 1 250 250 ARG CA C 262 58.761 58.761 57.737 1.024 17614 6906 1 6 . 1 1 250 250 ARG CB C 262 30.825 30.825 31.142 -0.317 17614 6907 1 6 . 1 1 250 250 ARG H H 262 7.827 7.827 7.767 0.060 17614 6908 1 6 . 1 1 254 254 PRO C C 266 177.152 177.152 178.239 -1.087 17614 6909 1 6 . 1 1 254 254 PRO CA C 266 65.152 65.152 63.908 1.244 17614 6910 1 6 . 1 1 255 255 ARG N N 267 117.739 117.739 118.786 -1.047 17614 6911 1 6 . 1 1 255 255 ARG C C 267 177.463 177.463 177.880 -0.417 17614 6912 1 6 . 1 1 255 255 ARG CA C 267 59.335 59.335 58.890 0.445 17614 6913 1 6 . 1 1 255 255 ARG CB C 267 30.185 30.185 29.531 0.654 17614 6914 1 6 . 1 1 255 255 ARG H H 267 8.072 8.072 7.997 0.075 17614 6915 1 6 . 1 1 256 256 ALA N N 268 121.709 121.709 121.817 -0.108 17614 6916 1 6 . 1 1 256 256 ALA C C 268 179.251 179.251 178.036 1.215 17614 6917 1 6 . 1 1 256 256 ALA CA C 268 54.631 54.631 54.757 -0.126 17614 6918 1 6 . 1 1 256 256 ALA CB C 268 18.683 18.683 18.574 0.109 17614 6919 1 6 . 1 1 256 256 ALA H H 268 7.963 7.963 7.668 0.295 17614 6920 1 6 . 1 1 257 257 PHE N N 269 117.096 117.096 117.655 -0.559 17614 6921 1 6 . 1 1 257 257 PHE C C 269 175.987 175.987 176.827 -0.840 17614 6922 1 6 . 1 1 257 257 PHE CA C 269 61.037 61.037 61.018 0.019 17614 6923 1 6 . 1 1 257 257 PHE CB C 269 38.637 38.637 39.049 -0.412 17614 6924 1 6 . 1 1 257 257 PHE H H 269 7.832 7.832 7.638 0.194 17614 6925 1 6 . 1 1 258 258 TYR N N 270 118.496 118.496 118.664 -0.168 17614 6926 1 6 . 1 1 258 258 TYR C C 270 176.250 176.250 175.171 1.079 17614 6927 1 6 . 1 1 258 258 TYR CA C 270 60.116 60.116 60.038 0.078 17614 6928 1 6 . 1 1 258 258 TYR CB C 270 38.882 38.882 39.159 -0.277 17614 6929 1 6 . 1 1 258 258 TYR H H 270 7.813 7.813 7.460 0.353 17614 6930 1 6 . 1 1 259 259 LYS N N 271 119.458 119.458 119.708 -0.250 17614 6931 1 6 . 1 1 259 259 LYS C C 271 177.696 177.696 175.626 2.070 17614 6932 1 6 . 1 1 259 259 LYS CA C 271 57.192 57.192 56.000 1.192 17614 6933 1 6 . 1 1 259 259 LYS CB C 271 32.734 32.734 33.984 -1.250 17614 6934 1 6 . 1 1 259 259 LYS H H 271 7.864 7.864 7.809 0.055 17614 6935 1 6 . 1 1 260 260 GLY N N 272 106.217 106.217 113.549 -7.332 17614 6936 1 6 . 1 1 260 260 GLY C C 272 173.967 173.967 173.414 0.553 17614 6937 1 6 . 1 1 260 260 GLY CA C 272 46.117 46.117 45.028 1.089 17614 6938 1 6 . 1 1 260 260 GLY H H 272 7.622 7.622 8.890 -1.268 17614 6939 1 6 . 1 1 261 261 PHE N N 273 118.847 118.847 115.927 2.920 17614 6940 1 6 . 1 1 261 261 PHE C C 273 175.055 175.055 174.623 0.432 17614 6941 1 6 . 1 1 261 261 PHE CA C 273 57.721 57.721 54.644 3.077 17614 6942 1 6 . 1 1 261 261 PHE CB C 273 40.183 40.183 38.477 1.706 17614 6943 1 6 . 1 1 261 261 PHE H H 273 7.677 7.677 7.625 0.052 17614 6944 1 6 . 1 1 265 265 PHE C C 277 176.602 176.602 176.959 -0.357 17614 6945 1 6 . 1 1 265 265 PHE CA C 277 61.838 61.838 61.356 0.482 17614 6946 1 6 . 1 1 265 265 PHE CB C 277 39.537 39.537 39.150 0.387 17614 6947 1 6 . 1 1 265 265 PHE H H 277 7.695 7.695 7.848 -0.153 17614 6948 1 6 . 1 1 266 266 LEU N N 278 118.465 118.465 118.644 -0.179 17614 6949 1 6 . 1 1 266 266 LEU C C 278 177.152 177.152 179.223 -2.071 17614 6950 1 6 . 1 1 266 266 LEU CA C 278 56.115 56.115 58.085 -1.970 17614 6951 1 6 . 1 1 266 266 LEU CB C 278 42.398 42.398 40.888 1.510 17614 6952 1 6 . 1 1 266 266 LEU H H 278 8.104 8.104 7.597 0.507 17614 6953 1 6 . 1 1 267 267 ARG N N 279 118.749 118.749 118.896 -0.147 17614 6954 1 6 . 1 1 267 267 ARG C C 279 176.608 176.608 179.114 -2.506 17614 6955 1 6 . 1 1 267 267 ARG CA C 279 56.938 56.938 59.419 -2.481 17614 6956 1 6 . 1 1 267 267 ARG CB C 279 30.659 30.659 30.002 0.657 17614 6957 1 6 . 1 1 267 267 ARG H H 279 7.472 7.472 7.849 -0.377 17614 6958 1 6 . 1 1 268 268 LEU N N 280 120.305 120.305 120.730 -0.425 17614 6959 1 6 . 1 1 268 268 LEU C C 280 177.540 177.540 178.632 -1.092 17614 6960 1 6 . 1 1 268 268 LEU CA C 280 57.094 57.094 57.967 -0.873 17614 6961 1 6 . 1 1 268 268 LEU CB C 280 42.027 42.027 41.451 0.576 17614 6962 1 6 . 1 1 268 268 LEU H H 280 7.690 7.690 8.358 -0.668 17614 6963 1 6 . 1 1 269 269 GLY N N 281 106.837 106.837 105.693 1.144 17614 6964 1 6 . 1 1 269 269 GLY C C 281 174.045 174.045 175.807 -1.762 17614 6965 1 6 . 1 1 269 269 GLY CA C 281 46.967 46.967 47.312 -0.345 17614 6966 1 6 . 1 1 269 269 GLY H H 281 7.881 7.881 7.708 0.173 17614 6967 1 6 . 1 1 270 270 SER N N 282 115.531 115.531 118.141 -2.610 17614 6968 1 6 . 1 1 270 270 SER C C 282 174.123 174.123 176.518 -2.395 17614 6969 1 6 . 1 1 270 270 SER CA C 282 58.796 58.796 61.030 -2.234 17614 6970 1 6 . 1 1 270 270 SER CB C 282 58.975 58.975 63.189 -4.214 17614 6971 1 6 . 1 1 270 270 SER H H 282 7.813 7.813 7.539 0.274 17614 6972 1 6 . 1 1 271 271 TRP N N 283 122.851 122.851 124.072 -1.221 17614 6973 1 6 . 1 1 271 271 TRP C C 283 176.142 176.142 177.571 -1.429 17614 6974 1 6 . 1 1 271 271 TRP CA C 283 59.221 59.221 62.037 -2.816 17614 6975 1 6 . 1 1 271 271 TRP CB C 283 30.446 30.446 29.641 0.805 17614 6976 1 6 . 1 1 271 271 TRP H H 283 8.186 8.186 8.488 -0.302 17614 6977 1 6 . 1 1 272 272 ASN N N 284 118.459 118.459 117.887 0.572 17614 6978 1 6 . 1 1 272 272 ASN CA C 284 55.325 55.325 56.029 -0.704 17614 6979 1 6 . 1 1 272 272 ASN CB C 284 39.504 39.504 38.242 1.262 17614 6980 1 6 . 1 1 272 272 ASN H H 284 8.127 8.127 8.019 0.108 17614 6981 1 6 . 1 1 273 273 VAL C C 285 177.263 177.263 176.770 0.493 17614 6982 1 6 . 1 1 273 273 VAL H H 285 7.854 7.854 7.402 0.452 17614 6983 1 6 . 1 1 274 274 VAL N N 286 119.883 119.883 119.014 0.869 17614 6984 1 6 . 1 1 274 274 VAL C C 286 177.072 177.072 177.628 -0.556 17614 6985 1 6 . 1 1 274 274 VAL CA C 286 64.717 64.717 66.250 -1.533 17614 6986 1 6 . 1 1 274 274 VAL CB C 286 29.553 29.553 31.479 -1.926 17614 6987 1 6 . 1 1 274 274 VAL H H 286 7.483 7.483 7.133 0.350 17614 6988 1 6 . 1 1 275 275 MET N N 287 120.401 120.401 119.333 1.068 17614 6989 1 6 . 1 1 275 275 MET C C 287 177.594 177.594 177.679 -0.085 17614 6990 1 6 . 1 1 275 275 MET CA C 287 57.654 57.654 57.624 0.030 17614 6991 1 6 . 1 1 275 275 MET CB C 287 31.592 31.592 31.792 -0.200 17614 6992 1 6 . 1 1 275 275 MET H H 287 8.118 8.118 7.140 0.978 17614 6993 1 6 . 1 1 276 276 PHE N N 288 122.234 122.234 120.372 1.862 17614 6994 1 6 . 1 1 276 276 PHE C C 288 176.498 176.498 177.557 -1.059 17614 6995 1 6 . 1 1 276 276 PHE CA C 288 61.766 61.766 61.531 0.235 17614 6996 1 6 . 1 1 276 276 PHE CB C 288 39.031 39.031 39.048 -0.017 17614 6997 1 6 . 1 1 276 276 PHE H H 288 7.878 7.878 7.890 -0.012 17614 6998 1 6 . 1 1 277 277 VAL N N 289 118.907 118.907 119.021 -0.114 17614 6999 1 6 . 1 1 277 277 VAL CA C 289 64.566 64.566 65.993 -1.427 17614 7000 1 6 . 1 1 277 277 VAL CB C 289 30.544 30.544 31.514 -0.970 17614 7001 1 6 . 1 1 277 277 VAL H H 289 7.913 7.913 7.668 0.245 17614 7002 1 6 . 1 1 278 278 THR C C 290 175.376 175.376 176.470 -1.094 17614 7003 1 6 . 1 1 278 278 THR H H 290 8.095 8.095 7.596 0.499 17614 7004 1 6 . 1 1 279 279 TYR N N 291 118.029 118.029 120.034 -2.005 17614 7005 1 6 . 1 1 279 279 TYR C C 291 176.919 176.919 177.430 -0.511 17614 7006 1 6 . 1 1 279 279 TYR CA C 291 61.717 61.717 61.802 -0.085 17614 7007 1 6 . 1 1 279 279 TYR CB C 291 38.020 38.020 37.940 0.080 17614 7008 1 6 . 1 1 279 279 TYR H H 291 7.986 7.986 7.571 0.415 17614 7009 1 6 . 1 1 280 280 GLU N N 292 118.005 118.005 119.099 -1.094 17614 7010 1 6 . 1 1 280 280 GLU C C 292 176.686 176.686 178.524 -1.838 17614 7011 1 6 . 1 1 280 280 GLU CA C 292 60.084 60.084 59.535 0.549 17614 7012 1 6 . 1 1 280 280 GLU CB C 292 29.443 29.443 28.793 0.651 17614 7013 1 6 . 1 1 280 280 GLU H H 292 8.359 8.359 7.909 0.450 17614 7014 1 6 . 1 1 281 281 GLN N N 293 118.746 118.746 119.944 -1.198 17614 7015 1 6 . 1 1 281 281 GLN C C 293 176.210 176.210 178.128 -1.918 17614 7016 1 6 . 1 1 281 281 GLN CA C 293 58.986 58.986 58.477 0.509 17614 7017 1 6 . 1 1 281 281 GLN CB C 293 28.784 28.784 28.613 0.171 17614 7018 1 6 . 1 1 281 281 GLN H H 293 7.704 7.704 7.390 0.314 17614 7019 1 6 . 1 1 282 282 LEU N N 294 120.970 120.970 118.902 2.068 17614 7020 1 6 . 1 1 282 282 LEU C C 294 178.084 178.084 178.572 -0.488 17614 7021 1 6 . 1 1 282 282 LEU CA C 294 58.741 58.741 57.444 1.298 17614 7022 1 6 . 1 1 282 282 LEU CB C 294 41.451 41.451 41.701 -0.250 17614 7023 1 6 . 1 1 282 282 LEU H H 294 7.995 7.995 7.476 0.519 17614 7024 1 6 . 1 1 283 283 LYS N N 295 117.756 117.756 117.265 0.491 17614 7025 1 6 . 1 1 283 283 LYS CA C 295 59.048 59.048 57.473 1.575 17614 7026 1 6 . 1 1 283 283 LYS CB C 295 31.871 31.871 33.171 -1.300 17614 7027 1 6 . 1 1 283 283 LYS H H 295 7.731 7.731 7.848 -0.117 17614 7028 1 6 . 1 1 284 284 ARG H H 296 7.895 7.895 8.017 -0.122 17614 7029 1 6 . 1 1 285 285 ALA C C 297 176.488 176.488 176.202 0.286 17614 7030 1 6 . 1 1 285 285 ALA H H 297 8.223 8.223 8.315 -0.092 17614 7031 1 6 . 1 1 286 286 LEU N N 298 117.376 117.376 121.318 -3.942 17614 7032 1 6 . 1 1 286 286 LEU C C 298 178.628 178.628 176.880 1.748 17614 7033 1 6 . 1 1 286 286 LEU CA C 298 58.217 58.217 55.469 2.748 17614 7034 1 6 . 1 1 286 286 LEU CB C 298 41.905 41.905 41.829 0.076 17614 7035 1 6 . 1 1 286 286 LEU H H 298 7.947 7.947 8.274 -0.327 17614 7036 1 6 . 1 1 287 287 MET N N 299 127.376 127.376 128.670 -1.294 17614 7037 1 6 . 1 1 287 287 MET C C 299 178.472 178.472 174.845 3.627 17614 7038 1 6 . 1 1 287 287 MET CA C 299 58.461 58.461 55.072 3.389 17614 7039 1 6 . 1 1 287 287 MET CB C 299 32.110 32.110 31.674 0.437 17614 7040 1 6 . 1 1 287 287 MET H H 299 8.182 8.182 8.822 -0.640 17614 7041 1 6 . 1 1 288 288 ALA N N 300 121.854 121.854 124.306 -2.452 17614 7042 1 6 . 1 1 288 288 ALA C C 300 180.197 180.197 175.953 4.244 17614 7043 1 6 . 1 1 288 288 ALA CA C 300 55.617 55.617 52.373 3.244 17614 7044 1 6 . 1 1 288 288 ALA CB C 300 18.215 18.215 19.948 -1.733 17614 7045 1 6 . 1 1 288 288 ALA H H 300 7.841 7.841 7.720 0.121 17614 7046 1 6 . 1 1 289 289 ALA N N 301 121.224 121.224 128.009 -6.785 17614 7047 1 6 . 1 1 289 289 ALA C C 301 178.939 178.939 178.103 0.836 17614 7048 1 6 . 1 1 289 289 ALA CA C 301 55.186 55.186 54.513 0.673 17614 7049 1 6 . 1 1 289 289 ALA CB C 301 18.735 18.735 18.877 -0.142 17614 7050 1 6 . 1 1 289 289 ALA H H 301 7.872 7.872 8.694 -0.822 17614 7051 1 6 . 1 1 290 290 TYR N N 302 118.183 118.183 119.728 -1.545 17614 7052 1 6 . 1 1 290 290 TYR C C 302 176.841 176.841 177.650 -0.809 17614 7053 1 6 . 1 1 290 290 TYR CA C 302 60.868 60.868 61.768 -0.900 17614 7054 1 6 . 1 1 290 290 TYR CB C 302 39.344 39.344 37.866 1.478 17614 7055 1 6 . 1 1 290 290 TYR H H 302 8.100 8.100 8.566 -0.466 17614 7056 1 6 . 1 1 291 291 GLN N N 303 117.243 117.243 117.003 0.240 17614 7057 1 6 . 1 1 291 291 GLN C C 303 176.997 176.997 178.839 -1.842 17614 7058 1 6 . 1 1 291 291 GLN CA C 303 58.787 58.787 59.291 -0.504 17614 7059 1 6 . 1 1 291 291 GLN CB C 303 29.216 29.216 27.996 1.220 17614 7060 1 6 . 1 1 291 291 GLN H H 303 8.059 8.059 8.646 -0.587 17614 7061 1 6 . 1 1 292 292 SER N N 304 114.721 114.721 115.100 -0.379 17614 7062 1 6 . 1 1 292 292 SER C C 304 174.511 174.511 175.896 -1.385 17614 7063 1 6 . 1 1 292 292 SER CA C 304 59.720 59.720 61.162 -1.442 17614 7064 1 6 . 1 1 292 292 SER CB C 304 63.896 63.896 63.053 0.843 17614 7065 1 6 . 1 1 292 292 SER H H 304 7.718 7.718 7.828 -0.110 17614 7066 1 6 . 1 1 293 293 ARG N N 305 121.401 121.401 119.611 1.790 17614 7067 1 6 . 1 1 293 293 ARG C C 305 175.521 175.521 177.609 -2.088 17614 7068 1 6 . 1 1 293 293 ARG CA C 305 59.639 59.639 58.086 1.553 17614 7069 1 6 . 1 1 293 293 ARG CB C 305 30.568 30.568 30.147 0.421 17614 7070 1 6 . 1 1 293 293 ARG H H 305 7.609 7.609 7.982 -0.373 17614 7071 1 6 . 1 1 294 294 GLU N N 306 120.090 120.090 117.993 2.097 17614 7072 1 6 . 1 1 294 294 GLU C C 306 177.648 177.648 178.827 -1.179 17614 7073 1 6 . 1 1 294 294 GLU CA C 306 59.624 59.624 58.564 1.060 17614 7074 1 6 . 1 1 294 294 GLU CB C 306 30.362 30.362 29.537 0.825 17614 7075 1 6 . 1 1 294 294 GLU H H 306 7.909 7.909 7.709 0.200 17614 7076 1 6 . 1 1 295 295 ALA N N 307 121.234 121.234 124.422 -3.188 17614 7077 1 6 . 1 1 295 295 ALA C C 307 176.014 176.014 177.023 -1.009 17614 7078 1 6 . 1 1 295 295 ALA CA C 307 56.844 56.844 55.512 1.332 17614 7079 1 6 . 1 1 295 295 ALA CB C 307 17.735 17.735 16.886 0.849 17614 7080 1 6 . 1 1 295 295 ALA H H 307 7.760 7.760 7.612 0.148 17614 7081 1 7 . 1 1 3 3 VAL N N 15 123.095 123.095 125.001 -1.906 17614 7082 1 7 . 1 1 3 3 VAL C C 15 176.453 176.453 177.003 -0.550 17614 7083 1 7 . 1 1 3 3 VAL CA C 15 63.979 63.979 60.937 3.042 17614 7084 1 7 . 1 1 3 3 VAL CB C 15 32.507 32.507 33.310 -0.803 17614 7085 1 7 . 1 1 3 3 VAL H H 15 8.053 8.053 8.155 -0.102 17614 7086 1 7 . 1 1 4 4 LYS N N 16 123.075 123.075 122.560 0.515 17614 7087 1 7 . 1 1 4 4 LYS C C 16 176.841 176.841 179.120 -2.279 17614 7088 1 7 . 1 1 4 4 LYS CA C 16 59.762 59.762 59.652 0.110 17614 7089 1 7 . 1 1 4 4 LYS CB C 16 32.751 32.751 32.173 0.578 17614 7090 1 7 . 1 1 4 4 LYS H H 16 8.059 8.059 8.652 -0.593 17614 7091 1 7 . 1 1 5 5 PHE N N 17 118.838 118.838 120.609 -1.771 17614 7092 1 7 . 1 1 5 5 PHE C C 17 175.443 175.443 177.462 -2.019 17614 7093 1 7 . 1 1 5 5 PHE CA C 17 59.915 59.915 60.599 -0.684 17614 7094 1 7 . 1 1 5 5 PHE CB C 17 39.659 39.659 38.822 0.837 17614 7095 1 7 . 1 1 5 5 PHE H H 17 7.909 7.909 8.088 -0.179 17614 7096 1 7 . 1 1 6 6 LEU N N 18 119.089 119.089 120.041 -0.952 17614 7097 1 7 . 1 1 6 6 LEU C C 18 177.195 177.195 177.767 -0.572 17614 7098 1 7 . 1 1 6 6 LEU CA C 18 55.385 55.385 56.905 -1.520 17614 7099 1 7 . 1 1 6 6 LEU CB C 18 42.905 42.905 41.962 0.944 17614 7100 1 7 . 1 1 6 6 LEU H H 18 7.814 7.814 8.194 -0.380 17614 7101 1 7 . 1 1 7 7 GLY N N 19 108.484 108.484 107.773 0.711 17614 7102 1 7 . 1 1 7 7 GLY C C 19 174.967 174.967 175.529 -0.562 17614 7103 1 7 . 1 1 7 7 GLY CA C 19 45.518 45.518 47.154 -1.636 17614 7104 1 7 . 1 1 7 7 GLY H H 19 8.032 8.032 8.610 -0.578 17614 7105 1 7 . 1 1 8 8 ALA N N 20 124.208 124.208 123.812 0.396 17614 7106 1 7 . 1 1 8 8 ALA C C 20 179.405 179.405 179.390 0.015 17614 7107 1 7 . 1 1 8 8 ALA CA C 20 54.531 54.531 54.397 0.134 17614 7108 1 7 . 1 1 8 8 ALA CB C 20 18.995 18.995 18.118 0.877 17614 7109 1 7 . 1 1 8 8 ALA H H 20 8.318 8.318 8.038 0.280 17614 7110 1 7 . 1 1 9 9 GLY N N 21 108.209 108.209 107.293 0.916 17614 7111 1 7 . 1 1 9 9 GLY C C 21 175.676 175.676 176.211 -0.535 17614 7112 1 7 . 1 1 9 9 GLY CA C 21 46.742 46.742 47.219 -0.477 17614 7113 1 7 . 1 1 9 9 GLY H H 21 8.523 8.523 7.965 0.558 17614 7114 1 7 . 1 1 10 10 THR N N 22 119.542 119.542 118.637 0.905 17614 7115 1 7 . 1 1 10 10 THR C C 22 175.661 175.661 175.988 -0.327 17614 7116 1 7 . 1 1 10 10 THR CA C 22 66.401 66.401 65.839 0.562 17614 7117 1 7 . 1 1 10 10 THR CB C 22 68.866 68.866 68.633 0.233 17614 7118 1 7 . 1 1 10 10 THR H H 22 7.881 7.881 8.317 -0.436 17614 7119 1 7 . 1 1 11 11 ALA N N 23 123.431 123.431 123.924 -0.493 17614 7120 1 7 . 1 1 11 11 ALA C C 23 178.628 178.628 178.996 -0.368 17614 7121 1 7 . 1 1 11 11 ALA CA C 23 55.480 55.480 54.908 0.572 17614 7122 1 7 . 1 1 11 11 ALA CB C 23 18.218 18.218 18.056 0.162 17614 7123 1 7 . 1 1 11 11 ALA H H 23 8.263 8.263 7.496 0.767 17614 7124 1 7 . 1 1 12 12 ALA N N 24 119.939 119.939 120.292 -0.353 17614 7125 1 7 . 1 1 12 12 ALA C C 24 179.172 179.172 179.342 -0.170 17614 7126 1 7 . 1 1 12 12 ALA CA C 24 55.038 55.038 54.892 0.146 17614 7127 1 7 . 1 1 12 12 ALA CB C 24 18.385 18.385 18.089 0.296 17614 7128 1 7 . 1 1 12 12 ALA H H 24 7.827 7.827 8.119 -0.292 17614 7129 1 7 . 1 1 13 13 CYS N N 25 116.736 116.736 117.627 -0.891 17614 7130 1 7 . 1 1 13 13 CYS C C 25 176.220 176.220 176.742 -0.522 17614 7131 1 7 . 1 1 13 13 CYS CA C 25 58.596 58.596 64.223 -5.627 17614 7132 1 7 . 1 1 13 13 CYS CB C 25 41.771 41.771 27.848 13.923 17614 7133 1 7 . 1 1 13 13 CYS H H 25 7.677 7.677 7.438 0.239 17614 7134 1 7 . 1 1 14 14 ILE N N 26 119.154 119.154 119.030 0.124 17614 7135 1 7 . 1 1 14 14 ILE C C 26 176.915 176.915 177.272 -0.357 17614 7136 1 7 . 1 1 14 14 ILE CA C 26 64.858 64.858 63.955 0.903 17614 7137 1 7 . 1 1 14 14 ILE CB C 26 38.090 38.090 36.901 1.189 17614 7138 1 7 . 1 1 14 14 ILE H H 26 7.899 7.899 7.359 0.540 17614 7139 1 7 . 1 1 15 15 ALA N N 27 121.116 121.116 123.141 -2.025 17614 7140 1 7 . 1 1 15 15 ALA C C 27 179.016 179.016 179.139 -0.123 17614 7141 1 7 . 1 1 15 15 ALA CA C 27 55.367 55.367 55.049 0.318 17614 7142 1 7 . 1 1 15 15 ALA CB C 27 18.385 18.385 18.269 0.116 17614 7143 1 7 . 1 1 15 15 ALA H H 27 7.909 7.909 7.696 0.213 17614 7144 1 7 . 1 1 16 16 ASP N N 28 116.829 116.829 117.837 -1.008 17614 7145 1 7 . 1 1 16 16 ASP C C 28 177.643 177.643 178.151 -0.508 17614 7146 1 7 . 1 1 16 16 ASP CA C 28 56.453 56.453 56.248 0.205 17614 7147 1 7 . 1 1 16 16 ASP CB C 28 41.128 41.128 41.244 -0.116 17614 7148 1 7 . 1 1 16 16 ASP H H 28 7.554 7.554 7.538 0.016 17614 7149 1 7 . 1 1 17 17 LEU N N 29 119.672 119.672 120.586 -0.914 17614 7150 1 7 . 1 1 17 17 LEU C C 29 178.628 178.628 179.431 -0.803 17614 7151 1 7 . 1 1 17 17 LEU CA C 29 57.144 57.144 58.399 -1.255 17614 7152 1 7 . 1 1 17 17 LEU CB C 29 43.146 43.146 42.114 1.032 17614 7153 1 7 . 1 1 17 17 LEU H H 29 7.732 7.732 7.409 0.323 17614 7154 1 7 . 1 1 18 18 ILE N N 30 113.629 113.629 117.499 -3.870 17614 7155 1 7 . 1 1 18 18 ILE C C 30 176.456 176.456 176.730 -0.274 17614 7156 1 7 . 1 1 18 18 ILE CA C 30 60.539 60.539 63.182 -2.643 17614 7157 1 7 . 1 1 18 18 ILE CB C 30 38.506 38.506 38.201 0.305 17614 7158 1 7 . 1 1 18 18 ILE H H 30 7.977 7.977 7.638 0.339 17614 7159 1 7 . 1 1 19 19 THR N N 31 113.314 113.314 115.369 -2.055 17614 7160 1 7 . 1 1 19 19 THR C C 31 174.045 174.045 175.620 -1.575 17614 7161 1 7 . 1 1 19 19 THR CA C 31 62.495 62.495 63.021 -0.526 17614 7162 1 7 . 1 1 19 19 THR CB C 31 69.898 69.898 69.683 0.215 17614 7163 1 7 . 1 1 19 19 THR H H 31 7.738 7.738 7.248 0.490 17614 7164 1 7 . 1 1 20 20 PHE N N 32 123.409 123.409 123.599 -0.190 17614 7165 1 7 . 1 1 20 20 PHE CA C 32 56.349 56.349 61.370 -5.021 17614 7166 1 7 . 1 1 20 20 PHE CB C 32 39.148 39.148 36.870 2.278 17614 7167 1 7 . 1 1 20 20 PHE H H 32 7.609 7.609 8.331 -0.722 17614 7168 1 7 . 1 1 21 21 PRO C C 33 177.831 177.831 177.542 0.289 17614 7169 1 7 . 1 1 21 21 PRO CA C 33 62.656 62.656 64.769 -2.113 17614 7170 1 7 . 1 1 21 21 PRO CB C 33 34.762 34.762 30.877 3.885 17614 7171 1 7 . 1 1 22 22 LEU N N 34 124.503 124.503 118.163 6.340 17614 7172 1 7 . 1 1 22 22 LEU C C 34 176.298 176.298 178.548 -2.250 17614 7173 1 7 . 1 1 22 22 LEU CA C 34 55.545 55.545 57.763 -2.218 17614 7174 1 7 . 1 1 22 22 LEU CB C 34 43.287 43.287 41.440 1.847 17614 7175 1 7 . 1 1 22 22 LEU H H 34 8.659 8.659 7.136 1.523 17614 7176 1 7 . 1 1 23 23 ASP N N 35 121.663 121.663 118.568 3.095 17614 7177 1 7 . 1 1 23 23 ASP C C 35 177.152 177.152 177.856 -0.704 17614 7178 1 7 . 1 1 23 23 ASP CA C 35 54.326 54.326 57.456 -3.130 17614 7179 1 7 . 1 1 23 23 ASP CB C 35 41.154 41.154 40.974 0.180 17614 7180 1 7 . 1 1 23 23 ASP H H 35 8.236 8.236 7.624 0.612 17614 7181 1 7 . 1 1 24 24 THR N N 36 115.977 115.977 111.927 4.050 17614 7182 1 7 . 1 1 24 24 THR C C 36 177.088 177.088 176.349 0.739 17614 7183 1 7 . 1 1 24 24 THR CA C 36 64.868 64.868 65.608 -0.740 17614 7184 1 7 . 1 1 24 24 THR CB C 36 69.053 69.053 68.695 0.358 17614 7185 1 7 . 1 1 24 24 THR H H 36 8.127 8.127 7.688 0.439 17614 7186 1 7 . 1 1 25 25 ALA N N 37 125.063 125.063 123.806 1.257 17614 7187 1 7 . 1 1 25 25 ALA C C 37 179.143 179.143 179.710 -0.567 17614 7188 1 7 . 1 1 25 25 ALA CA C 37 55.234 55.234 54.870 0.364 17614 7189 1 7 . 1 1 25 25 ALA CB C 37 18.735 18.735 18.258 0.477 17614 7190 1 7 . 1 1 25 25 ALA H H 37 8.042 8.042 7.589 0.453 17614 7191 1 7 . 1 1 26 26 LYS N N 38 117.827 117.827 118.352 -0.525 17614 7192 1 7 . 1 1 26 26 LYS C C 38 178.239 178.239 178.243 -0.004 17614 7193 1 7 . 1 1 26 26 LYS CA C 38 58.861 58.861 59.078 -0.217 17614 7194 1 7 . 1 1 26 26 LYS CB C 38 32.724 32.724 32.326 0.398 17614 7195 1 7 . 1 1 26 26 LYS H H 38 7.759 7.759 7.568 0.191 17614 7196 1 7 . 1 1 27 27 VAL N N 39 118.955 118.955 116.358 2.597 17614 7197 1 7 . 1 1 27 27 VAL C C 39 177.892 177.892 177.849 0.043 17614 7198 1 7 . 1 1 27 27 VAL CA C 39 65.478 65.478 65.279 0.199 17614 7199 1 7 . 1 1 27 27 VAL CB C 39 34.675 34.675 31.706 2.969 17614 7200 1 7 . 1 1 27 27 VAL H H 39 7.554 7.554 7.418 0.136 17614 7201 1 7 . 1 1 28 28 ARG N N 40 119.922 119.922 119.097 0.825 17614 7202 1 7 . 1 1 28 28 ARG C C 40 178.391 178.391 178.709 -0.318 17614 7203 1 7 . 1 1 28 28 ARG CA C 40 59.648 59.648 57.182 2.466 17614 7204 1 7 . 1 1 28 28 ARG CB C 40 29.933 29.933 29.968 -0.035 17614 7205 1 7 . 1 1 28 28 ARG H H 40 7.794 7.794 7.540 0.254 17614 7206 1 7 . 1 1 29 29 LEU N N 41 118.720 118.720 120.125 -1.405 17614 7207 1 7 . 1 1 29 29 LEU CA C 41 54.749 54.749 55.058 -0.309 17614 7208 1 7 . 1 1 29 29 LEU CB C 41 40.429 40.429 40.597 -0.168 17614 7209 1 7 . 1 1 29 29 LEU H H 41 7.534 7.534 7.600 -0.066 17614 7210 1 7 . 1 1 37 37 GLY C C 49 174.779 174.779 174.908 -0.129 17614 7211 1 7 . 1 1 38 38 LEU N N 50 123.029 123.029 121.006 2.023 17614 7212 1 7 . 1 1 38 38 LEU C C 50 178.482 178.482 178.488 -0.006 17614 7213 1 7 . 1 1 38 38 LEU CA C 50 56.765 56.765 57.119 -0.354 17614 7214 1 7 . 1 1 38 38 LEU CB C 50 41.673 41.673 41.963 -0.290 17614 7215 1 7 . 1 1 38 38 LEU H H 50 8.113 8.113 8.015 0.098 17614 7216 1 7 . 1 1 39 39 VAL N N 51 118.714 118.714 118.932 -0.218 17614 7217 1 7 . 1 1 39 39 VAL C C 51 178.032 178.032 178.441 -0.409 17614 7218 1 7 . 1 1 39 39 VAL CA C 51 66.037 66.037 66.645 -0.608 17614 7219 1 7 . 1 1 39 39 VAL CB C 51 30.763 30.763 31.375 -0.612 17614 7220 1 7 . 1 1 39 39 VAL H H 51 7.974 7.974 7.971 0.003 17614 7221 1 7 . 1 1 40 40 ARG N N 52 121.569 121.569 117.403 4.166 17614 7222 1 7 . 1 1 40 40 ARG CA C 52 59.167 59.167 58.797 0.370 17614 7223 1 7 . 1 1 40 40 ARG CB C 52 29.437 29.437 29.967 -0.530 17614 7224 1 7 . 1 1 40 40 ARG H H 52 8.231 8.231 8.339 -0.108 17614 7225 1 7 . 1 1 41 41 THR C C 53 175.108 175.108 175.278 -0.170 17614 7226 1 7 . 1 1 41 41 THR H H 53 7.948 7.948 7.472 0.476 17614 7227 1 7 . 1 1 42 42 ALA N N 54 121.823 121.823 124.406 -2.583 17614 7228 1 7 . 1 1 42 42 ALA C C 54 174.922 174.922 176.054 -1.132 17614 7229 1 7 . 1 1 42 42 ALA CA C 54 50.101 50.101 50.939 -0.838 17614 7230 1 7 . 1 1 42 42 ALA CB C 54 18.950 18.950 19.605 -0.655 17614 7231 1 7 . 1 1 42 42 ALA H H 54 7.792 7.792 8.049 -0.257 17614 7232 1 7 . 1 1 43 43 ALA N N 55 113.986 113.986 124.710 -10.724 17614 7233 1 7 . 1 1 43 43 ALA C C 55 178.007 178.007 177.223 0.784 17614 7234 1 7 . 1 1 43 43 ALA CA C 55 53.458 53.458 54.135 -0.676 17614 7235 1 7 . 1 1 43 43 ALA CB C 55 18.809 18.809 18.783 0.026 17614 7236 1 7 . 1 1 43 43 ALA H H 55 7.333 7.333 8.631 -1.298 17614 7237 1 7 . 1 1 44 44 SER N N 56 125.425 125.425 113.397 12.028 17614 7238 1 7 . 1 1 44 44 SER C C 56 174.899 174.899 173.904 0.995 17614 7239 1 7 . 1 1 44 44 SER CA C 56 59.520 59.520 57.098 2.422 17614 7240 1 7 . 1 1 44 44 SER CB C 56 64.051 64.051 64.685 -0.634 17614 7241 1 7 . 1 1 44 44 SER H H 56 7.786 7.786 7.585 0.201 17614 7242 1 7 . 1 1 45 45 ALA N N 57 118.183 118.183 120.193 -2.010 17614 7243 1 7 . 1 1 45 45 ALA CA C 57 53.783 53.783 52.743 1.040 17614 7244 1 7 . 1 1 45 45 ALA CB C 57 17.599 17.599 17.881 -0.282 17614 7245 1 7 . 1 1 45 45 ALA H H 57 8.018 8.018 7.949 0.069 17614 7246 1 7 . 1 1 47 47 TYR C C 59 177.662 177.662 176.003 1.659 17614 7247 1 7 . 1 1 48 48 ARG N N 60 122.798 122.798 121.587 1.211 17614 7248 1 7 . 1 1 48 48 ARG C C 60 177.956 177.956 176.908 1.048 17614 7249 1 7 . 1 1 48 48 ARG CA C 60 58.711 58.711 57.682 1.029 17614 7250 1 7 . 1 1 48 48 ARG CB C 60 30.659 30.659 30.119 0.540 17614 7251 1 7 . 1 1 48 48 ARG H H 60 8.311 8.311 8.622 -0.311 17614 7252 1 7 . 1 1 49 49 GLY N N 61 109.033 109.033 108.285 0.748 17614 7253 1 7 . 1 1 49 49 GLY C C 61 176.064 176.064 175.294 0.770 17614 7254 1 7 . 1 1 49 49 GLY CA C 61 46.592 46.592 44.918 1.674 17614 7255 1 7 . 1 1 49 49 GLY H H 61 8.182 8.182 8.224 -0.042 17614 7256 1 7 . 1 1 50 50 VAL N N 62 123.218 123.218 126.189 -2.971 17614 7257 1 7 . 1 1 50 50 VAL C C 62 177.540 177.540 177.286 0.254 17614 7258 1 7 . 1 1 50 50 VAL CA C 62 66.277 66.277 64.622 1.655 17614 7259 1 7 . 1 1 50 50 VAL CB C 62 32.355 32.355 32.093 0.262 17614 7260 1 7 . 1 1 50 50 VAL H H 62 8.105 8.105 8.499 -0.394 17614 7261 1 7 . 1 1 51 51 LEU N N 63 120.295 120.295 119.270 1.025 17614 7262 1 7 . 1 1 51 51 LEU C C 63 178.628 178.628 179.411 -0.783 17614 7263 1 7 . 1 1 51 51 LEU CA C 63 58.366 58.366 57.713 0.653 17614 7264 1 7 . 1 1 51 51 LEU CB C 63 41.675 41.675 40.297 1.378 17614 7265 1 7 . 1 1 51 51 LEU H H 63 8.182 8.182 8.410 -0.228 17614 7266 1 7 . 1 1 52 52 GLY N N 64 106.013 106.013 106.384 -0.371 17614 7267 1 7 . 1 1 52 52 GLY C C 64 176.531 176.531 176.114 0.417 17614 7268 1 7 . 1 1 52 52 GLY CA C 64 47.765 47.765 47.242 0.522 17614 7269 1 7 . 1 1 52 52 GLY H H 64 8.102 8.102 7.735 0.367 17614 7270 1 7 . 1 1 53 53 THR N N 65 120.842 120.842 119.245 1.597 17614 7271 1 7 . 1 1 53 53 THR C C 65 176.453 176.453 176.487 -0.034 17614 7272 1 7 . 1 1 53 53 THR CA C 65 67.140 67.140 67.053 0.087 17614 7273 1 7 . 1 1 53 53 THR CB C 65 69.161 69.161 68.639 0.522 17614 7274 1 7 . 1 1 53 53 THR H H 65 7.854 7.854 7.417 0.437 17614 7275 1 7 . 1 1 54 54 ILE N N 66 122.676 122.676 120.612 2.064 17614 7276 1 7 . 1 1 54 54 ILE C C 66 177.307 177.307 177.355 -0.048 17614 7277 1 7 . 1 1 54 54 ILE CA C 66 65.832 65.832 62.698 3.134 17614 7278 1 7 . 1 1 54 54 ILE CB C 66 38.090 38.090 36.417 1.673 17614 7279 1 7 . 1 1 54 54 ILE H H 66 8.018 8.018 7.438 0.580 17614 7280 1 7 . 1 1 55 55 LEU N N 67 119.838 119.838 119.914 -0.076 17614 7281 1 7 . 1 1 55 55 LEU C C 67 178.706 178.706 178.290 0.416 17614 7282 1 7 . 1 1 55 55 LEU CA C 67 58.491 58.491 58.280 0.211 17614 7283 1 7 . 1 1 55 55 LEU CB C 67 41.387 41.387 41.468 -0.081 17614 7284 1 7 . 1 1 55 55 LEU H H 67 8.291 8.291 7.581 0.710 17614 7285 1 7 . 1 1 56 56 THR N N 68 115.362 115.362 115.183 0.179 17614 7286 1 7 . 1 1 56 56 THR C C 68 176.764 176.764 176.749 0.015 17614 7287 1 7 . 1 1 56 56 THR CA C 68 67.040 67.040 66.553 0.487 17614 7288 1 7 . 1 1 56 56 THR CB C 68 69.403 69.403 68.640 0.763 17614 7289 1 7 . 1 1 56 56 THR H H 68 7.963 7.963 7.216 0.747 17614 7290 1 7 . 1 1 57 57 MET N N 69 122.960 122.960 121.569 1.391 17614 7291 1 7 . 1 1 57 57 MET C C 69 177.153 177.153 177.600 -0.447 17614 7292 1 7 . 1 1 57 57 MET CA C 69 59.710 59.710 59.215 0.495 17614 7293 1 7 . 1 1 57 57 MET CB C 69 33.111 33.111 32.647 0.464 17614 7294 1 7 . 1 1 57 57 MET H H 69 7.977 7.977 7.619 0.358 17614 7295 1 7 . 1 1 58 58 VAL N N 70 119.558 119.558 118.374 1.184 17614 7296 1 7 . 1 1 58 58 VAL C C 70 176.841 176.841 177.494 -0.653 17614 7297 1 7 . 1 1 58 58 VAL CA C 70 66.277 66.277 65.330 0.947 17614 7298 1 7 . 1 1 58 58 VAL CB C 70 31.362 31.362 31.883 -0.521 17614 7299 1 7 . 1 1 58 58 VAL H H 70 7.751 7.751 7.592 0.159 17614 7300 1 7 . 1 1 59 59 ARG N N 71 118.002 118.002 117.518 0.484 17614 7301 1 7 . 1 1 59 59 ARG C C 71 177.152 177.152 178.072 -0.920 17614 7302 1 7 . 1 1 59 59 ARG CA C 71 58.761 58.761 58.181 0.580 17614 7303 1 7 . 1 1 59 59 ARG CB C 71 30.656 30.656 30.073 0.583 17614 7304 1 7 . 1 1 59 59 ARG H H 71 7.827 7.827 7.516 0.311 17614 7305 1 7 . 1 1 60 60 THR N N 72 111.410 111.410 114.996 -3.586 17614 7306 1 7 . 1 1 60 60 THR C C 72 175.288 175.288 175.667 -0.379 17614 7307 1 7 . 1 1 60 60 THR CA C 72 64.194 64.194 65.203 -1.009 17614 7308 1 7 . 1 1 60 60 THR CB C 72 70.312 70.312 69.140 1.172 17614 7309 1 7 . 1 1 60 60 THR H H 72 7.745 7.745 7.658 0.087 17614 7310 1 7 . 1 1 61 61 GLU N N 73 120.577 120.577 119.265 1.312 17614 7311 1 7 . 1 1 61 61 GLU C C 73 177.696 177.696 176.485 1.211 17614 7312 1 7 . 1 1 61 61 GLU CA C 73 57.363 57.363 56.545 0.817 17614 7313 1 7 . 1 1 61 61 GLU CB C 73 30.927 30.927 31.487 -0.560 17614 7314 1 7 . 1 1 61 61 GLU H H 73 8.263 8.263 8.017 0.246 17614 7315 1 7 . 1 1 62 62 GLY N N 74 108.209 108.209 109.275 -1.066 17614 7316 1 7 . 1 1 62 62 GLY CA C 74 45.593 45.593 44.998 0.595 17614 7317 1 7 . 1 1 62 62 GLY H H 74 7.841 7.841 7.547 0.294 17614 7318 1 7 . 1 1 63 63 PRO C C 75 177.152 177.152 178.154 -1.002 17614 7319 1 7 . 1 1 63 63 PRO CA C 75 65.652 65.652 64.480 1.172 17614 7320 1 7 . 1 1 63 63 PRO CB C 75 32.294 32.294 32.152 0.142 17614 7321 1 7 . 1 1 64 64 ARG N N 76 118.553 118.553 115.780 2.773 17614 7322 1 7 . 1 1 64 64 ARG C C 76 177.696 177.696 177.419 0.277 17614 7323 1 7 . 1 1 64 64 ARG CA C 76 59.785 59.785 57.816 1.969 17614 7324 1 7 . 1 1 64 64 ARG CB C 76 29.671 29.671 28.742 0.929 17614 7325 1 7 . 1 1 64 64 ARG H H 76 8.427 8.427 8.646 -0.219 17614 7326 1 7 . 1 1 65 65 SER N N 77 115.323 115.323 114.176 1.147 17614 7327 1 7 . 1 1 65 65 SER C C 77 177.230 177.230 175.730 1.500 17614 7328 1 7 . 1 1 65 65 SER CA C 77 61.318 61.318 60.833 0.485 17614 7329 1 7 . 1 1 65 65 SER CB C 77 63.281 63.281 63.656 -0.375 17614 7330 1 7 . 1 1 65 65 SER H H 77 7.963 7.963 7.866 0.097 17614 7331 1 7 . 1 1 66 66 LEU N N 78 122.598 122.598 121.153 1.445 17614 7332 1 7 . 1 1 66 66 LEU C C 78 177.696 177.696 178.018 -0.322 17614 7333 1 7 . 1 1 66 66 LEU CA C 78 57.792 57.792 56.634 1.158 17614 7334 1 7 . 1 1 66 66 LEU CB C 78 42.202 42.202 42.212 -0.010 17614 7335 1 7 . 1 1 66 66 LEU H H 78 7.595 7.595 7.613 -0.018 17614 7336 1 7 . 1 1 67 67 TYR N N 79 119.276 119.276 115.239 4.037 17614 7337 1 7 . 1 1 67 67 TYR C C 79 176.142 176.142 174.686 1.456 17614 7338 1 7 . 1 1 67 67 TYR CA C 79 60.792 60.792 58.588 2.204 17614 7339 1 7 . 1 1 67 67 TYR CB C 79 38.687 38.687 38.415 0.272 17614 7340 1 7 . 1 1 67 67 TYR H H 79 7.868 7.868 7.734 0.134 17614 7341 1 7 . 1 1 68 68 ASN N N 80 117.249 117.249 116.579 0.670 17614 7342 1 7 . 1 1 68 68 ASN C C 80 178.472 178.472 175.790 2.682 17614 7343 1 7 . 1 1 68 68 ASN CA C 80 53.024 53.024 52.703 0.321 17614 7344 1 7 . 1 1 68 68 ASN CB C 80 37.946 37.946 39.271 -1.325 17614 7345 1 7 . 1 1 68 68 ASN H H 80 8.374 8.374 7.274 1.100 17614 7346 1 7 . 1 1 69 69 GLY N N 81 108.575 108.575 112.958 -4.383 17614 7347 1 7 . 1 1 69 69 GLY C C 81 175.521 175.521 174.994 0.527 17614 7348 1 7 . 1 1 69 69 GLY CA C 81 46.266 46.266 45.841 0.425 17614 7349 1 7 . 1 1 69 69 GLY H H 81 8.086 8.086 8.783 -0.697 17614 7350 1 7 . 1 1 70 70 LEU N N 82 124.326 124.326 120.866 3.460 17614 7351 1 7 . 1 1 70 70 LEU C C 82 178.239 178.239 177.771 0.468 17614 7352 1 7 . 1 1 70 70 LEU CA C 82 58.217 58.217 57.510 0.707 17614 7353 1 7 . 1 1 70 70 LEU CB C 82 42.351 42.351 40.523 1.828 17614 7354 1 7 . 1 1 70 70 LEU H H 82 7.991 7.991 7.856 0.135 17614 7355 1 7 . 1 1 71 71 VAL N N 83 117.727 117.727 118.895 -1.168 17614 7356 1 7 . 1 1 71 71 VAL C C 83 177.851 177.851 176.783 1.068 17614 7357 1 7 . 1 1 71 71 VAL CA C 83 64.113 64.113 64.475 -0.362 17614 7358 1 7 . 1 1 71 71 VAL CB C 83 31.924 31.924 31.543 0.381 17614 7359 1 7 . 1 1 71 71 VAL H H 83 8.004 8.004 8.069 -0.065 17614 7360 1 7 . 1 1 72 72 ALA N N 84 121.414 121.414 121.441 -0.027 17614 7361 1 7 . 1 1 72 72 ALA C C 84 180.570 180.570 179.495 1.075 17614 7362 1 7 . 1 1 72 72 ALA CA C 84 55.031 55.031 54.348 0.683 17614 7363 1 7 . 1 1 72 72 ALA CB C 84 18.286 18.286 18.414 -0.128 17614 7364 1 7 . 1 1 72 72 ALA H H 84 7.677 7.677 7.237 0.440 17614 7365 1 7 . 1 1 73 73 GLY N N 85 106.471 106.471 107.309 -0.838 17614 7366 1 7 . 1 1 73 73 GLY C C 85 175.521 175.521 176.342 -0.821 17614 7367 1 7 . 1 1 73 73 GLY CA C 85 47.191 47.191 46.439 0.752 17614 7368 1 7 . 1 1 73 73 GLY H H 85 7.963 7.963 7.694 0.269 17614 7369 1 7 . 1 1 74 74 LEU N N 86 122.326 122.326 123.192 -0.866 17614 7370 1 7 . 1 1 74 74 LEU C C 86 178.239 178.239 178.057 0.182 17614 7371 1 7 . 1 1 74 74 LEU CA C 86 57.493 57.493 57.085 0.408 17614 7372 1 7 . 1 1 74 74 LEU CB C 86 42.202 42.202 41.981 0.221 17614 7373 1 7 . 1 1 74 74 LEU H H 86 8.100 8.100 7.450 0.650 17614 7374 1 7 . 1 1 75 75 GLN N N 87 117.736 117.736 117.405 0.331 17614 7375 1 7 . 1 1 75 75 GLN C C 87 177.340 177.340 177.697 -0.357 17614 7376 1 7 . 1 1 75 75 GLN CA C 87 57.787 57.787 58.848 -1.061 17614 7377 1 7 . 1 1 75 75 GLN CB C 87 28.942 28.942 28.175 0.766 17614 7378 1 7 . 1 1 75 75 GLN H H 87 8.004 8.004 7.908 0.096 17614 7379 1 7 . 1 1 76 76 ARG N N 88 118.107 118.107 119.331 -1.224 17614 7380 1 7 . 1 1 76 76 ARG C C 88 177.930 177.930 178.913 -0.983 17614 7381 1 7 . 1 1 76 76 ARG CA C 88 58.062 58.062 59.449 -1.387 17614 7382 1 7 . 1 1 76 76 ARG CB C 88 30.774 30.774 29.720 1.054 17614 7383 1 7 . 1 1 76 76 ARG H H 88 7.568 7.568 7.310 0.258 17614 7384 1 7 . 1 1 77 77 GLN N N 89 117.921 117.921 118.157 -0.236 17614 7385 1 7 . 1 1 77 77 GLN C C 89 177.375 177.375 178.215 -0.840 17614 7386 1 7 . 1 1 77 77 GLN CA C 89 56.838 56.838 58.175 -1.337 17614 7387 1 7 . 1 1 77 77 GLN CB C 89 29.006 29.006 28.131 0.875 17614 7388 1 7 . 1 1 77 77 GLN H H 89 7.827 7.827 7.474 0.353 17614 7389 1 7 . 1 1 78 78 MET N N 90 118.378 118.378 120.254 -1.876 17614 7390 1 7 . 1 1 78 78 MET C C 90 176.365 176.365 177.143 -0.778 17614 7391 1 7 . 1 1 78 78 MET CA C 90 56.339 56.339 57.950 -1.611 17614 7392 1 7 . 1 1 78 78 MET CB C 90 33.444 33.444 32.384 1.060 17614 7393 1 7 . 1 1 78 78 MET H H 90 7.963 7.963 8.420 -0.457 17614 7394 1 7 . 1 1 79 79 SER N N 91 115.089 115.089 114.637 0.452 17614 7395 1 7 . 1 1 79 79 SER C C 91 175.899 175.899 176.829 -0.930 17614 7396 1 7 . 1 1 79 79 SER CA C 91 58.621 58.621 61.539 -2.918 17614 7397 1 7 . 1 1 79 79 SER CB C 91 64.337 64.337 62.642 1.696 17614 7398 1 7 . 1 1 79 79 SER H H 91 7.868 7.868 7.909 -0.041 17614 7399 1 7 . 1 1 80 80 PHE N N 92 122.852 122.852 124.100 -1.248 17614 7400 1 7 . 1 1 80 80 PHE C C 92 177.375 177.375 176.331 1.044 17614 7401 1 7 . 1 1 80 80 PHE CA C 92 59.095 59.095 61.600 -2.505 17614 7402 1 7 . 1 1 80 80 PHE CB C 92 38.937 38.937 39.033 -0.096 17614 7403 1 7 . 1 1 80 80 PHE H H 92 8.332 8.332 7.576 0.756 17614 7404 1 7 . 1 1 81 81 ALA N N 93 123.258 123.258 120.085 3.173 17614 7405 1 7 . 1 1 81 81 ALA C C 93 178.628 178.628 178.821 -0.193 17614 7406 1 7 . 1 1 81 81 ALA CA C 93 54.881 54.881 54.433 0.448 17614 7407 1 7 . 1 1 81 81 ALA CB C 93 17.902 17.902 18.265 -0.362 17614 7408 1 7 . 1 1 81 81 ALA H H 93 8.223 8.223 7.692 0.531 17614 7409 1 7 . 1 1 82 82 SER N N 94 112.886 112.886 114.785 -1.899 17614 7410 1 7 . 1 1 82 82 SER C C 94 176.831 176.831 176.771 0.060 17614 7411 1 7 . 1 1 82 82 SER CA C 94 60.319 60.319 61.188 -0.869 17614 7412 1 7 . 1 1 82 82 SER CB C 94 63.611 63.611 63.214 0.397 17614 7413 1 7 . 1 1 82 82 SER H H 94 7.977 7.977 7.520 0.457 17614 7414 1 7 . 1 1 83 83 VAL N N 95 121.854 121.854 121.713 0.141 17614 7415 1 7 . 1 1 83 83 VAL C C 95 176.220 176.220 177.150 -0.930 17614 7416 1 7 . 1 1 83 83 VAL CA C 95 64.629 64.629 65.825 -1.196 17614 7417 1 7 . 1 1 83 83 VAL CB C 95 31.328 31.328 31.289 0.039 17614 7418 1 7 . 1 1 83 83 VAL H H 95 7.581 7.581 8.123 -0.542 17614 7419 1 7 . 1 1 84 84 ARG N N 96 121.329 121.329 119.060 2.269 17614 7420 1 7 . 1 1 84 84 ARG C C 96 176.814 176.814 176.921 -0.107 17614 7421 1 7 . 1 1 84 84 ARG CA C 96 58.636 58.636 57.407 1.229 17614 7422 1 7 . 1 1 84 84 ARG CB C 96 30.672 30.672 29.464 1.208 17614 7423 1 7 . 1 1 84 84 ARG H H 96 7.936 7.936 7.198 0.738 17614 7424 1 7 . 1 1 85 85 ILE N N 97 119.194 119.194 118.061 1.133 17614 7425 1 7 . 1 1 85 85 ILE C C 97 177.152 177.152 176.213 0.939 17614 7426 1 7 . 1 1 85 85 ILE CA C 97 63.296 63.296 62.117 1.179 17614 7427 1 7 . 1 1 85 85 ILE CB C 97 38.757 38.757 38.592 0.166 17614 7428 1 7 . 1 1 85 85 ILE H H 97 7.802 7.802 7.401 0.401 17614 7429 1 7 . 1 1 86 86 GLY N N 98 109.857 109.857 108.222 1.635 17614 7430 1 7 . 1 1 86 86 GLY C C 98 176.064 176.064 174.980 1.084 17614 7431 1 7 . 1 1 86 86 GLY CA C 98 46.941 46.941 46.075 0.866 17614 7432 1 7 . 1 1 86 86 GLY H H 98 8.127 8.127 7.673 0.454 17614 7433 1 7 . 1 1 87 87 LEU N N 99 123.258 123.258 120.640 2.618 17614 7434 1 7 . 1 1 87 87 LEU C C 99 177.856 177.856 177.727 0.129 17614 7435 1 7 . 1 1 87 87 LEU CA C 99 58.264 58.264 56.880 1.384 17614 7436 1 7 . 1 1 87 87 LEU CB C 99 42.488 42.488 41.134 1.354 17614 7437 1 7 . 1 1 87 87 LEU H H 99 8.223 8.223 7.476 0.747 17614 7438 1 7 . 1 1 88 88 TYR N N 100 119.770 119.770 121.018 -1.248 17614 7439 1 7 . 1 1 88 88 TYR C C 100 176.997 176.997 177.036 -0.039 17614 7440 1 7 . 1 1 88 88 TYR CA C 100 61.592 61.592 62.147 -0.555 17614 7441 1 7 . 1 1 88 88 TYR CB C 100 38.809 38.809 38.701 0.108 17614 7442 1 7 . 1 1 88 88 TYR H H 100 8.207 8.207 8.050 0.157 17614 7443 1 7 . 1 1 89 89 ASP N N 101 118.460 118.460 117.555 0.905 17614 7444 1 7 . 1 1 89 89 ASP C C 101 178.939 178.939 178.475 0.464 17614 7445 1 7 . 1 1 89 89 ASP CA C 101 57.797 57.797 56.888 0.909 17614 7446 1 7 . 1 1 89 89 ASP CB C 101 40.498 40.498 40.412 0.086 17614 7447 1 7 . 1 1 89 89 ASP H H 101 8.401 8.401 8.558 -0.157 17614 7448 1 7 . 1 1 90 90 SER N N 102 116.022 116.022 115.182 0.840 17614 7449 1 7 . 1 1 90 90 SER C C 102 176.005 176.005 176.717 -0.712 17614 7450 1 7 . 1 1 90 90 SER CA C 102 62.791 62.791 61.971 0.820 17614 7451 1 7 . 1 1 90 90 SER CB C 102 64.211 64.211 63.346 0.864 17614 7452 1 7 . 1 1 90 90 SER H H 102 7.854 7.854 7.787 0.067 17614 7453 1 7 . 1 1 91 91 VAL N N 103 120.844 120.844 117.207 3.637 17614 7454 1 7 . 1 1 91 91 VAL C C 103 177.307 177.307 177.331 -0.024 17614 7455 1 7 . 1 1 91 91 VAL CA C 103 66.510 66.510 64.953 1.557 17614 7456 1 7 . 1 1 91 91 VAL CB C 103 31.965 31.965 31.082 0.883 17614 7457 1 7 . 1 1 91 91 VAL H H 103 7.926 7.926 7.447 0.479 17614 7458 1 7 . 1 1 92 92 LYS N N 104 120.468 120.468 120.546 -0.078 17614 7459 1 7 . 1 1 92 92 LYS C C 104 178.861 178.861 179.118 -0.257 17614 7460 1 7 . 1 1 92 92 LYS CA C 104 60.184 60.184 60.036 0.148 17614 7461 1 7 . 1 1 92 92 LYS CB C 104 31.979 31.979 32.251 -0.272 17614 7462 1 7 . 1 1 92 92 LYS H H 104 8.127 8.127 7.333 0.794 17614 7463 1 7 . 1 1 93 93 GLN N N 105 118.386 118.386 117.680 0.706 17614 7464 1 7 . 1 1 93 93 GLN C C 105 177.540 177.540 178.680 -1.140 17614 7465 1 7 . 1 1 93 93 GLN CA C 105 58.786 58.786 58.074 0.712 17614 7466 1 7 . 1 1 93 93 GLN CB C 105 28.377 28.377 28.772 -0.395 17614 7467 1 7 . 1 1 93 93 GLN H H 105 7.841 7.841 8.177 -0.336 17614 7468 1 7 . 1 1 94 94 PHE N N 106 119.471 119.471 119.535 -0.064 17614 7469 1 7 . 1 1 94 94 PHE C C 106 176.531 176.531 175.963 0.568 17614 7470 1 7 . 1 1 94 94 PHE CA C 106 60.593 60.593 60.649 -0.056 17614 7471 1 7 . 1 1 94 94 PHE CB C 106 39.459 39.459 39.793 -0.334 17614 7472 1 7 . 1 1 94 94 PHE H H 106 7.772 7.772 7.708 0.064 17614 7473 1 7 . 1 1 95 95 TYR N N 107 118.288 118.288 116.240 2.048 17614 7474 1 7 . 1 1 95 95 TYR C C 107 176.220 176.220 176.508 -0.288 17614 7475 1 7 . 1 1 95 95 TYR CA C 107 60.543 60.543 60.101 0.442 17614 7476 1 7 . 1 1 95 95 TYR CB C 107 38.819 38.819 41.057 -2.238 17614 7477 1 7 . 1 1 95 95 TYR H H 107 8.045 8.045 7.588 0.457 17614 7478 1 7 . 1 1 96 96 THR N N 108 113.383 113.383 114.281 -0.898 17614 7479 1 7 . 1 1 96 96 THR C C 108 175.288 175.288 175.602 -0.314 17614 7480 1 7 . 1 1 96 96 THR CA C 108 64.094 64.094 62.756 1.338 17614 7481 1 7 . 1 1 96 96 THR CB C 108 69.986 69.986 68.808 1.179 17614 7482 1 7 . 1 1 96 96 THR H H 108 7.868 7.868 7.735 0.133 17614 7483 1 7 . 1 1 101 101 HIS C C 113 173.413 173.413 173.942 -0.529 17614 7484 1 7 . 1 1 101 101 HIS H H 113 7.968 7.968 8.739 -0.771 17614 7485 1 7 . 1 1 102 102 ALA N N 114 119.456 119.456 119.185 0.271 17614 7486 1 7 . 1 1 102 102 ALA C C 114 177.851 177.851 176.099 1.752 17614 7487 1 7 . 1 1 102 102 ALA CA C 114 53.283 53.283 52.018 1.265 17614 7488 1 7 . 1 1 102 102 ALA CB C 114 19.362 19.362 19.525 -0.163 17614 7489 1 7 . 1 1 102 102 ALA H H 114 8.433 8.433 7.664 0.769 17614 7490 1 7 . 1 1 103 103 GLY N N 115 108.484 108.484 104.554 3.930 17614 7491 1 7 . 1 1 103 103 GLY C C 115 174.822 174.822 174.884 -0.062 17614 7492 1 7 . 1 1 103 103 GLY CA C 115 45.968 45.968 45.379 0.589 17614 7493 1 7 . 1 1 103 103 GLY H H 115 8.250 8.250 8.197 0.053 17614 7494 1 7 . 1 1 104 104 ILE N N 116 121.139 121.139 122.265 -1.126 17614 7495 1 7 . 1 1 104 104 ILE C C 116 176.841 176.841 177.705 -0.864 17614 7496 1 7 . 1 1 104 104 ILE CA C 116 63.160 63.160 64.302 -1.142 17614 7497 1 7 . 1 1 104 104 ILE CB C 116 38.853 38.853 37.716 1.137 17614 7498 1 7 . 1 1 104 104 ILE H H 116 8.127 8.127 8.145 -0.018 17614 7499 1 7 . 1 1 105 105 GLY N N 117 110.863 110.863 106.794 4.069 17614 7500 1 7 . 1 1 105 105 GLY C C 117 174.588 174.588 176.447 -1.859 17614 7501 1 7 . 1 1 105 105 GLY CA C 117 46.791 46.791 47.301 -0.510 17614 7502 1 7 . 1 1 105 105 GLY H H 117 8.509 8.509 8.366 0.143 17614 7503 1 7 . 1 1 106 106 SER N N 118 116.069 116.069 117.394 -1.325 17614 7504 1 7 . 1 1 106 106 SER C C 118 175.754 175.754 176.792 -1.038 17614 7505 1 7 . 1 1 106 106 SER CA C 118 60.319 60.319 61.541 -1.222 17614 7506 1 7 . 1 1 106 106 SER CB C 118 63.864 63.864 62.930 0.934 17614 7507 1 7 . 1 1 106 106 SER H H 118 7.991 7.991 8.048 -0.057 17614 7508 1 7 . 1 1 107 107 ARG N N 119 122.134 122.134 121.266 0.868 17614 7509 1 7 . 1 1 107 107 ARG C C 119 178.228 178.228 178.465 -0.237 17614 7510 1 7 . 1 1 107 107 ARG CA C 119 57.787 57.787 59.599 -1.812 17614 7511 1 7 . 1 1 107 107 ARG CB C 119 30.549 30.549 30.110 0.438 17614 7512 1 7 . 1 1 107 107 ARG H H 119 7.963 7.963 8.512 -0.549 17614 7513 1 7 . 1 1 108 108 LEU N N 120 120.403 120.403 122.365 -1.962 17614 7514 1 7 . 1 1 108 108 LEU C C 120 177.230 177.230 178.828 -1.598 17614 7515 1 7 . 1 1 108 108 LEU CA C 120 57.967 57.967 58.129 -0.162 17614 7516 1 7 . 1 1 108 108 LEU CB C 120 42.146 42.146 42.005 0.141 17614 7517 1 7 . 1 1 108 108 LEU H H 120 7.914 7.914 7.954 -0.040 17614 7518 1 7 . 1 1 109 109 LEU N N 121 118.960 118.960 119.275 -0.315 17614 7519 1 7 . 1 1 109 109 LEU C C 121 177.152 177.152 179.118 -1.966 17614 7520 1 7 . 1 1 109 109 LEU CA C 121 55.495 55.495 58.020 -2.525 17614 7521 1 7 . 1 1 109 109 LEU CB C 121 42.238 42.238 41.455 0.784 17614 7522 1 7 . 1 1 109 109 LEU H H 121 7.718 7.718 8.420 -0.702 17614 7523 1 7 . 1 1 110 110 ALA N N 122 123.063 123.063 121.996 1.067 17614 7524 1 7 . 1 1 110 110 ALA C C 122 178.317 178.317 179.858 -1.541 17614 7525 1 7 . 1 1 110 110 ALA CA C 122 53.358 53.358 55.336 -1.978 17614 7526 1 7 . 1 1 110 110 ALA CB C 122 19.218 19.218 18.236 0.982 17614 7527 1 7 . 1 1 110 110 ALA H H 122 7.745 7.745 8.829 -1.084 17614 7528 1 7 . 1 1 111 111 GLY N N 123 107.843 107.843 106.727 1.116 17614 7529 1 7 . 1 1 111 111 GLY C C 123 176.912 176.912 176.505 0.407 17614 7530 1 7 . 1 1 111 111 GLY CA C 123 45.943 45.943 47.164 -1.221 17614 7531 1 7 . 1 1 111 111 GLY H H 123 8.113 8.113 8.968 -0.855 17614 7532 1 7 . 1 1 112 112 SER N N 124 116.105 116.105 118.323 -2.218 17614 7533 1 7 . 1 1 112 112 SER C C 124 175.574 175.574 176.863 -1.289 17614 7534 1 7 . 1 1 112 112 SER CA C 124 59.145 59.145 61.863 -2.718 17614 7535 1 7 . 1 1 112 112 SER CB C 124 64.211 64.211 63.211 1.000 17614 7536 1 7 . 1 1 112 112 SER H H 124 8.109 8.109 8.431 -0.322 17614 7537 1 7 . 1 1 113 113 THR N N 125 116.069 116.069 118.710 -2.641 17614 7538 1 7 . 1 1 113 113 THR C C 125 176.055 176.055 176.766 -0.711 17614 7539 1 7 . 1 1 113 113 THR CA C 125 66.921 66.921 66.605 0.316 17614 7540 1 7 . 1 1 113 113 THR CB C 125 69.682 69.682 68.833 0.849 17614 7541 1 7 . 1 1 113 113 THR H H 125 8.086 8.086 8.214 -0.128 17614 7542 1 7 . 1 1 114 114 THR N N 126 115.439 115.439 118.824 -3.385 17614 7543 1 7 . 1 1 114 114 THR C C 126 177.443 177.443 176.656 0.787 17614 7544 1 7 . 1 1 114 114 THR CA C 126 65.285 65.285 67.146 -1.861 17614 7545 1 7 . 1 1 114 114 THR CB C 126 68.364 68.364 68.248 0.117 17614 7546 1 7 . 1 1 114 114 THR H H 126 7.977 7.977 8.704 -0.727 17614 7547 1 7 . 1 1 115 115 GLY N N 127 115.453 115.453 108.789 6.664 17614 7548 1 7 . 1 1 115 115 GLY C C 127 174.215 174.215 175.082 -0.867 17614 7549 1 7 . 1 1 115 115 GLY CA C 127 46.117 46.117 46.780 -0.663 17614 7550 1 7 . 1 1 115 115 GLY H H 127 8.168 8.168 8.206 -0.038 17614 7551 1 7 . 1 1 116 116 ALA N N 128 123.952 123.952 124.700 -0.748 17614 7552 1 7 . 1 1 116 116 ALA C C 128 178.162 178.162 179.417 -1.255 17614 7553 1 7 . 1 1 116 116 ALA CA C 128 53.349 53.349 54.728 -1.379 17614 7554 1 7 . 1 1 116 116 ALA CB C 128 19.099 19.099 18.506 0.593 17614 7555 1 7 . 1 1 116 116 ALA H H 128 7.919 7.919 7.466 0.453 17614 7556 1 7 . 1 1 117 117 LEU N N 129 120.025 120.025 118.578 1.447 17614 7557 1 7 . 1 1 117 117 LEU C C 129 177.949 177.949 179.124 -1.175 17614 7558 1 7 . 1 1 117 117 LEU CA C 129 56.019 56.019 57.506 -1.487 17614 7559 1 7 . 1 1 117 117 LEU CB C 129 42.340 42.340 41.070 1.270 17614 7560 1 7 . 1 1 117 117 LEU H H 129 7.936 7.936 7.591 0.345 17614 7561 1 7 . 1 1 118 118 ALA N N 130 123.402 123.402 121.667 1.735 17614 7562 1 7 . 1 1 118 118 ALA C C 130 177.929 177.929 179.720 -1.791 17614 7563 1 7 . 1 1 118 118 ALA CA C 130 53.283 53.283 55.102 -1.819 17614 7564 1 7 . 1 1 118 118 ALA CB C 130 18.964 18.964 18.247 0.717 17614 7565 1 7 . 1 1 118 118 ALA H H 130 7.868 7.868 8.167 -0.299 17614 7566 1 7 . 1 1 119 119 VAL N N 131 118.111 118.111 117.978 0.133 17614 7567 1 7 . 1 1 119 119 VAL C C 131 176.025 176.025 177.757 -1.732 17614 7568 1 7 . 1 1 119 119 VAL CA C 131 63.180 63.180 65.358 -2.178 17614 7569 1 7 . 1 1 119 119 VAL CB C 131 32.898 32.898 30.957 1.941 17614 7570 1 7 . 1 1 119 119 VAL H H 131 7.636 7.636 8.035 -0.399 17614 7571 1 7 . 1 1 120 120 ALA N N 132 124.047 124.047 122.515 1.532 17614 7572 1 7 . 1 1 120 120 ALA C C 132 179.008 179.008 178.759 0.249 17614 7573 1 7 . 1 1 120 120 ALA CA C 132 53.707 53.707 54.653 -0.945 17614 7574 1 7 . 1 1 120 120 ALA CB C 132 19.150 19.150 18.825 0.325 17614 7575 1 7 . 1 1 120 120 ALA H H 132 7.911 7.911 7.546 0.365 17614 7576 1 7 . 1 1 121 121 VAL N N 133 113.349 113.349 118.586 -5.237 17614 7577 1 7 . 1 1 121 121 VAL C C 133 175.527 175.527 176.374 -0.847 17614 7578 1 7 . 1 1 121 121 VAL CA C 133 64.115 64.115 62.936 1.179 17614 7579 1 7 . 1 1 121 121 VAL CB C 133 31.832 31.832 32.439 -0.607 17614 7580 1 7 . 1 1 121 121 VAL H H 133 7.094 7.094 7.560 -0.466 17614 7581 1 7 . 1 1 122 122 ALA N N 134 123.224 123.224 120.495 2.729 17614 7582 1 7 . 1 1 122 122 ALA CA C 134 55.493 55.493 51.871 3.622 17614 7583 1 7 . 1 1 122 122 ALA H H 134 7.586 7.586 7.447 0.139 17614 7584 1 7 . 1 1 124 124 PRO C C 136 177.074 177.074 178.357 -1.283 17614 7585 1 7 . 1 1 125 125 THR N N 137 113.281 113.281 108.106 5.175 17614 7586 1 7 . 1 1 125 125 THR C C 137 174.485 174.485 176.684 -2.199 17614 7587 1 7 . 1 1 125 125 THR CA C 137 64.496 64.496 66.004 -1.508 17614 7588 1 7 . 1 1 125 125 THR CB C 137 69.997 69.997 68.352 1.645 17614 7589 1 7 . 1 1 125 125 THR H H 137 7.963 7.963 8.117 -0.154 17614 7590 1 7 . 1 1 126 126 ASP N N 138 122.770 122.770 122.252 0.518 17614 7591 1 7 . 1 1 126 126 ASP C C 138 178.458 178.458 178.467 -0.009 17614 7592 1 7 . 1 1 126 126 ASP CA C 138 56.776 56.776 56.924 -0.148 17614 7593 1 7 . 1 1 126 126 ASP CB C 138 41.023 41.023 40.815 0.208 17614 7594 1 7 . 1 1 126 126 ASP H H 138 8.094 8.094 7.619 0.475 17614 7595 1 7 . 1 1 127 127 VAL N N 139 119.931 119.931 119.937 -0.006 17614 7596 1 7 . 1 1 127 127 VAL C C 139 177.502 177.502 178.161 -0.659 17614 7597 1 7 . 1 1 127 127 VAL CA C 139 66.455 66.455 66.403 0.052 17614 7598 1 7 . 1 1 127 127 VAL CB C 139 32.804 32.804 31.460 1.343 17614 7599 1 7 . 1 1 127 127 VAL H H 139 7.753 7.753 7.870 -0.117 17614 7600 1 7 . 1 1 128 128 VAL N N 140 120.539 120.539 120.600 -0.061 17614 7601 1 7 . 1 1 128 128 VAL C C 140 176.232 176.232 177.610 -1.378 17614 7602 1 7 . 1 1 128 128 VAL CA C 140 66.770 66.770 66.134 0.636 17614 7603 1 7 . 1 1 128 128 VAL CB C 140 32.086 32.086 31.272 0.814 17614 7604 1 7 . 1 1 128 128 VAL H H 140 8.295 8.295 8.190 0.105 17614 7605 1 7 . 1 1 129 129 LYS N N 141 120.122 120.122 119.696 0.426 17614 7606 1 7 . 1 1 129 129 LYS C C 141 176.120 176.120 178.891 -2.771 17614 7607 1 7 . 1 1 129 129 LYS CA C 141 55.991 55.991 60.074 -4.083 17614 7608 1 7 . 1 1 129 129 LYS CB C 141 31.712 31.712 32.465 -0.753 17614 7609 1 7 . 1 1 129 129 LYS H H 141 7.698 7.698 7.552 0.146 17614 7610 1 7 . 1 1 130 130 VAL N N 142 120.104 120.104 115.396 4.708 17614 7611 1 7 . 1 1 130 130 VAL CA C 142 63.230 63.230 65.648 -2.418 17614 7612 1 7 . 1 1 130 130 VAL H H 142 7.772 7.772 7.399 0.373 17614 7613 1 7 . 1 1 131 131 ARG C C 143 178.401 178.401 178.835 -0.434 17614 7614 1 7 . 1 1 131 131 ARG H H 143 7.999 7.999 7.827 0.172 17614 7615 1 7 . 1 1 132 132 PHE N N 144 120.445 120.445 120.737 -0.292 17614 7616 1 7 . 1 1 132 132 PHE C C 144 177.856 177.856 176.247 1.609 17614 7617 1 7 . 1 1 132 132 PHE CA C 144 61.438 61.438 60.754 0.684 17614 7618 1 7 . 1 1 132 132 PHE H H 144 8.395 8.395 8.668 -0.273 17614 7619 1 7 . 1 1 133 133 GLN N N 145 124.180 124.180 116.709 7.471 17614 7620 1 7 . 1 1 133 133 GLN C C 145 174.844 174.844 177.556 -2.712 17614 7621 1 7 . 1 1 133 133 GLN CA C 145 56.414 56.414 57.783 -1.369 17614 7622 1 7 . 1 1 133 133 GLN CB C 145 30.721 30.721 29.160 1.561 17614 7623 1 7 . 1 1 133 133 GLN H H 145 8.094 8.094 7.725 0.369 17614 7624 1 7 . 1 1 134 134 ALA N N 146 120.452 120.452 120.153 0.299 17614 7625 1 7 . 1 1 134 134 ALA C C 146 177.929 177.929 177.594 0.335 17614 7626 1 7 . 1 1 134 134 ALA CA C 146 53.483 53.483 53.178 0.305 17614 7627 1 7 . 1 1 134 134 ALA CB C 146 18.431 18.431 19.053 -0.622 17614 7628 1 7 . 1 1 134 134 ALA H H 146 7.939 7.939 7.446 0.493 17614 7629 1 7 . 1 1 135 135 GLN N N 147 119.388 119.388 118.746 0.642 17614 7630 1 7 . 1 1 135 135 GLN C C 147 176.029 176.029 175.150 0.879 17614 7631 1 7 . 1 1 135 135 GLN CA C 147 56.339 56.339 56.727 -0.388 17614 7632 1 7 . 1 1 135 135 GLN CB C 147 29.444 29.444 28.595 0.849 17614 7633 1 7 . 1 1 135 135 GLN H H 147 8.072 8.072 7.591 0.481 17614 7634 1 7 . 1 1 136 136 ALA N N 148 125.199 125.199 129.249 -4.050 17614 7635 1 7 . 1 1 136 136 ALA C C 148 177.766 177.766 178.563 -0.797 17614 7636 1 7 . 1 1 136 136 ALA CA C 148 53.108 53.108 53.043 0.065 17614 7637 1 7 . 1 1 136 136 ALA CB C 148 19.151 19.151 19.090 0.061 17614 7638 1 7 . 1 1 136 136 ALA H H 148 8.055 8.055 8.336 -0.281 17614 7639 1 7 . 1 1 137 137 ARG N N 149 120.208 120.208 120.947 -0.739 17614 7640 1 7 . 1 1 137 137 ARG CA C 149 56.414 56.414 54.451 1.963 17614 7641 1 7 . 1 1 137 137 ARG CB C 149 30.749 30.749 28.418 2.331 17614 7642 1 7 . 1 1 137 137 ARG H H 149 8.018 8.018 8.180 -0.162 17614 7643 1 7 . 1 1 147 147 THR C C 159 175.928 175.928 176.161 -0.233 17614 7644 1 7 . 1 1 148 148 VAL N N 160 118.321 118.321 120.890 -2.569 17614 7645 1 7 . 1 1 148 148 VAL C C 160 177.749 177.749 177.191 0.558 17614 7646 1 7 . 1 1 148 148 VAL CA C 160 64.126 64.126 65.474 -1.348 17614 7647 1 7 . 1 1 148 148 VAL CB C 160 31.343 31.343 31.523 -0.180 17614 7648 1 7 . 1 1 148 148 VAL H H 160 8.073 8.073 8.028 0.045 17614 7649 1 7 . 1 1 149 149 GLU N N 161 122.379 122.379 120.180 2.199 17614 7650 1 7 . 1 1 149 149 GLU C C 161 178.783 178.783 178.599 0.184 17614 7651 1 7 . 1 1 149 149 GLU CA C 161 59.550 59.550 59.612 -0.062 17614 7652 1 7 . 1 1 149 149 GLU CB C 161 29.597 29.597 29.248 0.349 17614 7653 1 7 . 1 1 149 149 GLU H H 161 8.204 8.204 8.448 -0.244 17614 7654 1 7 . 1 1 150 150 ALA N N 162 122.845 122.845 123.253 -0.408 17614 7655 1 7 . 1 1 150 150 ALA C C 162 179.948 179.948 179.347 0.601 17614 7656 1 7 . 1 1 150 150 ALA CA C 162 55.181 55.181 55.367 -0.186 17614 7657 1 7 . 1 1 150 150 ALA CB C 162 18.154 18.154 18.609 -0.455 17614 7658 1 7 . 1 1 150 150 ALA H H 162 7.786 7.786 8.759 -0.973 17614 7659 1 7 . 1 1 151 151 TYR N N 163 118.902 118.902 119.678 -0.776 17614 7660 1 7 . 1 1 151 151 TYR C C 163 177.273 177.273 177.764 -0.491 17614 7661 1 7 . 1 1 151 151 TYR CA C 163 61.068 61.068 60.174 0.894 17614 7662 1 7 . 1 1 151 151 TYR CB C 163 37.898 37.898 38.325 -0.427 17614 7663 1 7 . 1 1 151 151 TYR H H 163 7.922 7.922 7.969 -0.047 17614 7664 1 7 . 1 1 152 152 LYS N N 164 119.939 119.939 118.214 1.725 17614 7665 1 7 . 1 1 152 152 LYS C C 164 178.239 178.239 179.158 -0.919 17614 7666 1 7 . 1 1 152 152 LYS CA C 164 60.309 60.309 58.740 1.569 17614 7667 1 7 . 1 1 152 152 LYS CB C 164 32.504 32.504 31.884 0.620 17614 7668 1 7 . 1 1 152 152 LYS H H 164 8.223 8.223 7.343 0.880 17614 7669 1 7 . 1 1 153 153 THR N N 165 115.262 115.262 116.875 -1.613 17614 7670 1 7 . 1 1 153 153 THR C C 165 175.676 175.676 176.748 -1.072 17614 7671 1 7 . 1 1 153 153 THR CA C 165 66.516 66.516 66.346 0.170 17614 7672 1 7 . 1 1 153 153 THR CB C 165 69.367 69.367 68.759 0.608 17614 7673 1 7 . 1 1 153 153 THR H H 165 7.745 7.745 7.993 -0.248 17614 7674 1 7 . 1 1 154 154 ILE N N 166 121.571 121.571 120.804 0.767 17614 7675 1 7 . 1 1 154 154 ILE C C 166 177.307 177.307 177.328 -0.021 17614 7676 1 7 . 1 1 154 154 ILE CA C 166 64.634 64.634 63.446 1.188 17614 7677 1 7 . 1 1 154 154 ILE CB C 166 38.896 38.896 37.252 1.643 17614 7678 1 7 . 1 1 154 154 ILE H H 166 7.540 7.540 7.489 0.051 17614 7679 1 7 . 1 1 155 155 ALA N N 167 121.983 121.983 122.636 -0.653 17614 7680 1 7 . 1 1 155 155 ALA C C 167 178.395 178.395 180.190 -1.795 17614 7681 1 7 . 1 1 155 155 ALA CA C 167 54.656 54.656 54.793 -0.137 17614 7682 1 7 . 1 1 155 155 ALA CB C 167 18.486 18.486 18.113 0.373 17614 7683 1 7 . 1 1 155 155 ALA H H 167 8.059 8.059 7.822 0.237 17614 7684 1 7 . 1 1 156 156 ARG N N 168 116.369 116.369 119.319 -2.950 17614 7685 1 7 . 1 1 156 156 ARG C C 168 177.307 177.307 178.365 -1.058 17614 7686 1 7 . 1 1 156 156 ARG CA C 168 58.486 58.486 58.697 -0.211 17614 7687 1 7 . 1 1 156 156 ARG CB C 168 30.930 30.930 30.128 0.802 17614 7688 1 7 . 1 1 156 156 ARG H H 168 7.690 7.690 7.860 -0.170 17614 7689 1 7 . 1 1 157 157 GLU N N 169 118.667 118.667 117.446 1.221 17614 7690 1 7 . 1 1 157 157 GLU C C 169 177.696 177.696 178.132 -0.436 17614 7691 1 7 . 1 1 157 157 GLU CA C 169 58.212 58.212 58.445 -0.233 17614 7692 1 7 . 1 1 157 157 GLU CB C 169 30.357 30.357 29.880 0.477 17614 7693 1 7 . 1 1 157 157 GLU H H 169 8.045 8.045 7.695 0.350 17614 7694 1 7 . 1 1 158 158 GLU N N 170 118.202 118.202 117.112 1.090 17614 7695 1 7 . 1 1 158 158 GLU C C 170 177.878 177.878 176.909 0.969 17614 7696 1 7 . 1 1 158 158 GLU CA C 170 57.363 57.363 56.679 0.684 17614 7697 1 7 . 1 1 158 158 GLU CB C 170 31.277 31.277 31.052 0.225 17614 7698 1 7 . 1 1 158 158 GLU H H 170 8.550 8.550 8.365 0.185 17614 7699 1 7 . 1 1 159 159 GLY N N 171 108.941 108.941 107.246 1.695 17614 7700 1 7 . 1 1 159 159 GLY C C 171 174.433 174.433 174.973 -0.540 17614 7701 1 7 . 1 1 159 159 GLY CA C 171 45.193 45.193 44.560 0.633 17614 7702 1 7 . 1 1 159 159 GLY H H 171 7.881 7.881 7.657 0.224 17614 7703 1 7 . 1 1 160 160 ILE N N 172 120.842 120.842 121.583 -0.741 17614 7704 1 7 . 1 1 160 160 ILE C C 172 176.997 176.997 176.906 0.091 17614 7705 1 7 . 1 1 160 160 ILE CA C 172 63.810 63.810 62.640 1.170 17614 7706 1 7 . 1 1 160 160 ILE CB C 172 38.516 38.516 37.967 0.549 17614 7707 1 7 . 1 1 160 160 ILE H H 172 8.550 8.550 8.362 0.188 17614 7708 1 7 . 1 1 161 161 ARG N N 173 119.480 119.480 119.991 -0.511 17614 7709 1 7 . 1 1 161 161 ARG C C 173 178.084 178.084 178.126 -0.042 17614 7710 1 7 . 1 1 161 161 ARG CA C 173 58.711 58.711 59.106 -0.395 17614 7711 1 7 . 1 1 161 161 ARG CB C 173 29.796 29.796 29.577 0.219 17614 7712 1 7 . 1 1 161 161 ARG H H 173 8.277 8.277 8.639 -0.362 17614 7713 1 7 . 1 1 162 162 GLY N N 174 106.379 106.379 106.412 -0.033 17614 7714 1 7 . 1 1 162 162 GLY C C 174 175.210 175.210 176.253 -1.043 17614 7715 1 7 . 1 1 162 162 GLY CA C 174 46.767 46.767 46.611 0.156 17614 7716 1 7 . 1 1 162 162 GLY H H 174 7.690 7.690 8.080 -0.390 17614 7717 1 7 . 1 1 163 163 LEU N N 175 120.664 120.664 122.608 -1.944 17614 7718 1 7 . 1 1 163 163 LEU C C 175 177.971 177.971 178.536 -0.565 17614 7719 1 7 . 1 1 163 163 LEU CA C 175 57.104 57.104 57.357 -0.253 17614 7720 1 7 . 1 1 163 163 LEU CB C 175 42.559 42.559 42.445 0.114 17614 7721 1 7 . 1 1 163 163 LEU H H 175 7.554 7.554 7.350 0.204 17614 7722 1 7 . 1 1 164 164 TRP N N 176 117.031 117.031 118.425 -1.394 17614 7723 1 7 . 1 1 164 164 TRP C C 176 176.987 176.987 177.591 -0.604 17614 7724 1 7 . 1 1 164 164 TRP CA C 176 57.672 57.672 58.478 -0.806 17614 7725 1 7 . 1 1 164 164 TRP CB C 176 29.796 29.796 28.629 1.167 17614 7726 1 7 . 1 1 164 164 TRP H H 176 7.499 7.499 8.106 -0.607 17614 7727 1 7 . 1 1 165 165 LYS N N 177 120.567 120.567 120.274 0.293 17614 7728 1 7 . 1 1 165 165 LYS C C 177 177.152 177.152 178.209 -1.057 17614 7729 1 7 . 1 1 165 165 LYS CA C 177 57.712 57.712 59.617 -1.905 17614 7730 1 7 . 1 1 165 165 LYS CB C 177 32.890 32.890 32.058 0.832 17614 7731 1 7 . 1 1 165 165 LYS H H 177 7.595 7.595 7.522 0.073 17614 7732 1 7 . 1 1 166 166 GLY N N 178 108.667 108.667 104.147 4.520 17614 7733 1 7 . 1 1 166 166 GLY C C 178 174.045 174.045 175.488 -1.443 17614 7734 1 7 . 1 1 166 166 GLY CA C 178 45.893 45.893 45.578 0.315 17614 7735 1 7 . 1 1 166 166 GLY H H 178 7.881 7.881 8.178 -0.297 17614 7736 1 7 . 1 1 167 167 THR N N 179 115.080 115.080 118.290 -3.210 17614 7737 1 7 . 1 1 167 167 THR C C 179 175.192 175.192 176.270 -1.078 17614 7738 1 7 . 1 1 167 167 THR CA C 179 66.521 66.521 67.034 -0.513 17614 7739 1 7 . 1 1 167 167 THR CB C 179 70.079 70.079 68.492 1.587 17614 7740 1 7 . 1 1 167 167 THR H H 179 7.622 7.622 7.820 -0.198 17614 7741 1 7 . 1 1 168 168 SER N N 180 117.754 117.754 115.446 2.308 17614 7742 1 7 . 1 1 168 168 SER CA C 180 63.123 63.123 63.979 -0.856 17614 7743 1 7 . 1 1 168 168 SER CB C 180 62.045 62.045 61.883 0.161 17614 7744 1 7 . 1 1 168 168 SER H H 180 8.195 8.195 7.720 0.475 17614 7745 1 7 . 1 1 170 170 ASN C C 182 177.348 177.348 177.716 -0.368 17614 7746 1 7 . 1 1 171 171 VAL N N 183 118.118 118.118 119.876 -1.758 17614 7747 1 7 . 1 1 171 171 VAL C C 183 176.944 176.944 177.497 -0.553 17614 7748 1 7 . 1 1 171 171 VAL CA C 183 65.244 65.244 66.307 -1.063 17614 7749 1 7 . 1 1 171 171 VAL CB C 183 32.508 32.508 31.558 0.950 17614 7750 1 7 . 1 1 171 171 VAL H H 183 7.861 7.861 7.502 0.359 17614 7751 1 7 . 1 1 172 172 ALA N N 184 122.284 122.284 121.435 0.849 17614 7752 1 7 . 1 1 172 172 ALA C C 184 178.317 178.317 179.124 -0.807 17614 7753 1 7 . 1 1 172 172 ALA CA C 184 55.339 55.339 55.123 0.215 17614 7754 1 7 . 1 1 172 172 ALA CB C 184 28.230 28.230 18.096 10.134 17614 7755 1 7 . 1 1 172 172 ALA H H 184 8.097 8.097 7.451 0.646 17614 7756 1 7 . 1 1 173 173 ARG N N 185 117.321 117.321 119.269 -1.948 17614 7757 1 7 . 1 1 173 173 ARG C C 185 177.527 177.527 178.067 -0.540 17614 7758 1 7 . 1 1 173 173 ARG CA C 185 59.543 59.543 59.599 -0.056 17614 7759 1 7 . 1 1 173 173 ARG CB C 185 29.767 29.767 30.024 -0.257 17614 7760 1 7 . 1 1 173 173 ARG H H 185 7.611 7.611 8.138 -0.527 17614 7761 1 7 . 1 1 174 174 ASN N N 186 117.294 117.294 117.617 -0.323 17614 7762 1 7 . 1 1 174 174 ASN C C 186 176.599 176.599 177.281 -0.682 17614 7763 1 7 . 1 1 174 174 ASN CA C 186 56.659 56.659 55.967 0.692 17614 7764 1 7 . 1 1 174 174 ASN CB C 186 39.454 39.454 38.514 0.940 17614 7765 1 7 . 1 1 174 174 ASN H H 186 8.048 8.048 7.779 0.269 17614 7766 1 7 . 1 1 175 175 ALA N N 187 121.003 121.003 122.825 -1.822 17614 7767 1 7 . 1 1 175 175 ALA C C 187 178.713 178.713 179.573 -0.860 17614 7768 1 7 . 1 1 175 175 ALA CA C 187 55.520 55.520 55.023 0.497 17614 7769 1 7 . 1 1 175 175 ALA CB C 187 18.097 18.097 18.656 -0.559 17614 7770 1 7 . 1 1 175 175 ALA H H 187 7.322 7.322 7.475 -0.153 17614 7771 1 7 . 1 1 176 176 ILE N N 188 119.319 119.319 118.992 0.327 17614 7772 1 7 . 1 1 176 176 ILE C C 188 176.634 176.634 178.229 -1.595 17614 7773 1 7 . 1 1 176 176 ILE CA C 188 64.225 64.225 63.840 0.385 17614 7774 1 7 . 1 1 176 176 ILE CB C 188 37.658 37.658 36.940 0.718 17614 7775 1 7 . 1 1 176 176 ILE H H 188 7.779 7.779 7.879 -0.100 17614 7776 1 7 . 1 1 177 177 VAL N N 189 117.265 117.265 118.327 -1.062 17614 7777 1 7 . 1 1 177 177 VAL C C 189 177.529 177.529 177.809 -0.280 17614 7778 1 7 . 1 1 177 177 VAL CA C 189 65.562 65.562 67.293 -1.731 17614 7779 1 7 . 1 1 177 177 VAL CB C 189 31.407 31.407 31.114 0.293 17614 7780 1 7 . 1 1 177 177 VAL H H 189 7.776 7.776 8.262 -0.486 17614 7781 1 7 . 1 1 178 178 ASN N N 190 118.736 118.736 119.846 -1.110 17614 7782 1 7 . 1 1 178 178 ASN C C 190 176.476 176.476 177.543 -1.067 17614 7783 1 7 . 1 1 178 178 ASN CA C 190 56.813 56.813 55.969 0.844 17614 7784 1 7 . 1 1 178 178 ASN CB C 190 38.268 38.268 38.293 -0.025 17614 7785 1 7 . 1 1 178 178 ASN H H 190 7.800 7.800 7.773 0.027 17614 7786 1 7 . 1 1 179 179 CYS N N 191 120.152 120.152 119.729 0.423 17614 7787 1 7 . 1 1 179 179 CYS C C 191 175.831 175.831 176.157 -0.326 17614 7788 1 7 . 1 1 179 179 CYS CA C 191 60.293 60.293 62.672 -2.379 17614 7789 1 7 . 1 1 179 179 CYS CB C 191 41.566 41.566 26.671 14.895 17614 7790 1 7 . 1 1 179 179 CYS H H 191 7.784 7.784 8.114 -0.330 17614 7791 1 7 . 1 1 180 180 ALA N N 192 121.963 121.963 122.119 -0.156 17614 7792 1 7 . 1 1 180 180 ALA C C 192 178.395 178.395 179.340 -0.945 17614 7793 1 7 . 1 1 180 180 ALA CA C 192 55.280 55.280 55.225 0.055 17614 7794 1 7 . 1 1 180 180 ALA CB C 192 18.008 18.008 18.007 0.001 17614 7795 1 7 . 1 1 180 180 ALA H H 192 8.141 8.141 8.632 -0.491 17614 7796 1 7 . 1 1 181 181 GLU N N 193 114.548 114.548 120.578 -6.030 17614 7797 1 7 . 1 1 181 181 GLU C C 193 176.764 176.764 179.016 -2.252 17614 7798 1 7 . 1 1 181 181 GLU CA C 193 58.262 58.262 58.912 -0.650 17614 7799 1 7 . 1 1 181 181 GLU CB C 193 29.342 29.342 29.402 -0.060 17614 7800 1 7 . 1 1 181 181 GLU H H 193 7.595 7.595 8.533 -0.938 17614 7801 1 7 . 1 1 182 182 LEU N N 194 117.659 117.659 120.119 -2.460 17614 7802 1 7 . 1 1 182 182 LEU C C 194 176.904 176.904 179.328 -2.424 17614 7803 1 7 . 1 1 182 182 LEU CA C 194 55.695 55.695 58.184 -2.489 17614 7804 1 7 . 1 1 182 182 LEU CB C 194 41.655 41.655 41.312 0.343 17614 7805 1 7 . 1 1 182 182 LEU H H 194 7.459 7.459 8.048 -0.589 17614 7806 1 7 . 1 1 183 183 VAL N N 195 117.842 117.842 119.144 -1.302 17614 7807 1 7 . 1 1 183 183 VAL C C 195 177.150 177.150 177.883 -0.733 17614 7808 1 7 . 1 1 183 183 VAL CA C 195 64.054 64.054 66.531 -2.477 17614 7809 1 7 . 1 1 183 183 VAL CB C 195 31.079 31.079 31.829 -0.750 17614 7810 1 7 . 1 1 183 183 VAL H H 195 7.363 7.363 7.488 -0.125 17614 7811 1 7 . 1 1 184 184 THR N N 196 122.439 122.439 115.205 7.234 17614 7812 1 7 . 1 1 184 184 THR C C 196 175.055 175.055 176.594 -1.539 17614 7813 1 7 . 1 1 184 184 THR CA C 196 65.500 65.500 66.159 -0.659 17614 7814 1 7 . 1 1 184 184 THR CB C 196 69.490 69.490 68.577 0.913 17614 7815 1 7 . 1 1 184 184 THR H H 196 7.940 7.940 7.927 0.013 17614 7816 1 7 . 1 1 185 185 TYR N N 197 122.430 122.430 123.493 -1.063 17614 7817 1 7 . 1 1 185 185 TYR C C 197 177.152 177.152 177.041 0.111 17614 7818 1 7 . 1 1 185 185 TYR CA C 197 61.892 61.892 61.858 0.034 17614 7819 1 7 . 1 1 185 185 TYR CB C 197 38.085 38.085 38.369 -0.284 17614 7820 1 7 . 1 1 185 185 TYR H H 197 9.123 9.123 8.928 0.195 17614 7821 1 7 . 1 1 186 186 ASP N N 198 117.750 117.750 118.975 -1.225 17614 7822 1 7 . 1 1 186 186 ASP C C 198 177.696 177.696 178.244 -0.548 17614 7823 1 7 . 1 1 186 186 ASP CA C 198 57.822 57.822 57.417 0.405 17614 7824 1 7 . 1 1 186 186 ASP CB C 198 40.500 40.500 40.592 -0.092 17614 7825 1 7 . 1 1 186 186 ASP H H 198 8.263 8.263 7.963 0.300 17614 7826 1 7 . 1 1 187 187 LEU N N 199 120.698 120.698 118.519 2.179 17614 7827 1 7 . 1 1 187 187 LEU C C 199 180.104 180.104 179.086 1.018 17614 7828 1 7 . 1 1 187 187 LEU CA C 199 58.092 58.092 57.397 0.695 17614 7829 1 7 . 1 1 187 187 LEU CB C 199 42.559 42.559 41.183 1.376 17614 7830 1 7 . 1 1 187 187 LEU H H 199 7.636 7.636 7.432 0.204 17614 7831 1 7 . 1 1 188 188 ILE N N 200 121.136 121.136 118.969 2.167 17614 7832 1 7 . 1 1 188 188 ILE C C 200 176.919 176.919 177.493 -0.574 17614 7833 1 7 . 1 1 188 188 ILE CA C 200 65.482 65.482 64.781 0.702 17614 7834 1 7 . 1 1 188 188 ILE CB C 200 37.949 37.949 37.545 0.404 17614 7835 1 7 . 1 1 188 188 ILE H H 200 7.718 7.718 7.241 0.477 17614 7836 1 7 . 1 1 189 189 LYS N N 201 120.587 120.587 117.289 3.298 17614 7837 1 7 . 1 1 189 189 LYS C C 201 177.696 177.696 178.789 -1.093 17614 7838 1 7 . 1 1 189 189 LYS CA C 201 60.683 60.683 58.459 2.224 17614 7839 1 7 . 1 1 189 189 LYS CB C 201 31.809 31.809 32.023 -0.214 17614 7840 1 7 . 1 1 189 189 LYS H H 201 8.291 8.291 7.493 0.798 17614 7841 1 7 . 1 1 190 190 ASP N N 202 117.936 117.936 117.064 0.872 17614 7842 1 7 . 1 1 190 190 ASP C C 202 178.395 178.395 176.748 1.647 17614 7843 1 7 . 1 1 190 190 ASP CA C 202 57.672 57.672 55.928 1.744 17614 7844 1 7 . 1 1 190 190 ASP CB C 202 41.355 41.355 41.204 0.151 17614 7845 1 7 . 1 1 190 190 ASP H H 202 8.182 8.182 7.833 0.349 17614 7846 1 7 . 1 1 191 191 THR N N 203 115.914 115.914 114.726 1.188 17614 7847 1 7 . 1 1 191 191 THR CA C 203 61.190 61.190 61.895 -0.705 17614 7848 1 7 . 1 1 191 191 THR CB C 203 68.738 68.738 69.682 -0.944 17614 7849 1 7 . 1 1 191 191 THR H H 203 7.690 7.690 7.910 -0.220 17614 7850 1 7 . 1 1 192 192 LEU C C 204 176.047 176.047 175.878 0.169 17614 7851 1 7 . 1 1 192 192 LEU H H 204 8.051 8.051 8.918 -0.867 17614 7852 1 7 . 1 1 193 193 LEU N N 205 118.768 118.768 116.902 1.866 17614 7853 1 7 . 1 1 193 193 LEU C C 205 179.871 179.871 176.847 3.024 17614 7854 1 7 . 1 1 193 193 LEU CA C 205 55.867 55.867 53.958 1.909 17614 7855 1 7 . 1 1 193 193 LEU CB C 205 41.887 41.887 41.849 0.038 17614 7856 1 7 . 1 1 193 193 LEU H H 205 7.977 7.977 7.784 0.193 17614 7857 1 7 . 1 1 194 194 LYS N N 206 119.775 119.775 119.938 -0.163 17614 7858 1 7 . 1 1 194 194 LYS C C 206 177.318 177.318 176.738 0.580 17614 7859 1 7 . 1 1 194 194 LYS CA C 206 58.461 58.461 58.410 0.051 17614 7860 1 7 . 1 1 194 194 LYS CB C 206 32.734 32.734 32.320 0.414 17614 7861 1 7 . 1 1 194 194 LYS H H 206 7.677 7.677 8.133 -0.456 17614 7862 1 7 . 1 1 195 195 ALA N N 207 120.757 120.757 120.053 0.704 17614 7863 1 7 . 1 1 195 195 ALA C C 207 176.531 176.531 177.498 -0.967 17614 7864 1 7 . 1 1 195 195 ALA CA C 207 53.083 53.083 52.545 0.538 17614 7865 1 7 . 1 1 195 195 ALA CB C 207 18.960 18.960 19.585 -0.626 17614 7866 1 7 . 1 1 195 195 ALA H H 207 7.565 7.565 7.915 -0.350 17614 7867 1 7 . 1 1 196 196 ASN N N 208 115.463 115.463 114.383 1.080 17614 7868 1 7 . 1 1 196 196 ASN C C 208 174.822 174.822 174.078 0.744 17614 7869 1 7 . 1 1 196 196 ASN CA C 208 54.351 54.351 53.218 1.133 17614 7870 1 7 . 1 1 196 196 ASN CB C 208 38.160 38.160 37.970 0.190 17614 7871 1 7 . 1 1 196 196 ASN H H 208 7.936 7.936 8.387 -0.451 17614 7872 1 7 . 1 1 200 200 ASP C C 212 174.735 174.735 174.585 0.150 17614 7873 1 7 . 1 1 201 201 ASP N N 213 116.363 116.363 120.218 -3.855 17614 7874 1 7 . 1 1 201 201 ASP C C 213 175.553 175.553 177.416 -1.863 17614 7875 1 7 . 1 1 201 201 ASP CA C 213 54.890 54.890 54.419 0.471 17614 7876 1 7 . 1 1 201 201 ASP CB C 213 38.846 38.846 39.957 -1.111 17614 7877 1 7 . 1 1 201 201 ASP H H 213 8.129 8.129 8.460 -0.331 17614 7878 1 7 . 1 1 202 202 LEU N N 214 119.486 119.486 120.524 -1.038 17614 7879 1 7 . 1 1 202 202 LEU CA C 214 59.766 59.766 59.048 0.718 17614 7880 1 7 . 1 1 202 202 LEU CB C 214 39.579 39.579 39.988 -0.409 17614 7881 1 7 . 1 1 202 202 LEU H H 214 7.821 7.821 8.294 -0.473 17614 7882 1 7 . 1 1 203 203 PRO C C 215 177.971 177.971 178.598 -0.627 17614 7883 1 7 . 1 1 203 203 PRO CA C 215 65.938 65.938 65.763 0.175 17614 7884 1 7 . 1 1 203 203 PRO CB C 215 30.006 30.006 30.965 -0.959 17614 7885 1 7 . 1 1 204 204 CYS N N 216 114.211 114.211 115.274 -1.063 17614 7886 1 7 . 1 1 204 204 CYS C C 216 176.142 176.142 177.211 -1.069 17614 7887 1 7 . 1 1 204 204 CYS CA C 216 58.773 58.773 62.109 -3.336 17614 7888 1 7 . 1 1 204 204 CYS CB C 216 40.906 40.906 26.564 14.342 17614 7889 1 7 . 1 1 204 204 CYS H H 216 8.269 8.269 8.350 -0.081 17614 7890 1 7 . 1 1 205 205 HIS N N 217 120.491 120.491 120.610 -0.119 17614 7891 1 7 . 1 1 205 205 HIS C C 217 176.747 176.747 177.333 -0.586 17614 7892 1 7 . 1 1 205 205 HIS CA C 217 57.198 57.198 58.852 -1.654 17614 7893 1 7 . 1 1 205 205 HIS CB C 217 29.886 29.886 29.244 0.642 17614 7894 1 7 . 1 1 205 205 HIS H H 217 7.301 7.301 7.576 -0.275 17614 7895 1 7 . 1 1 206 206 PHE N N 218 120.501 120.501 118.171 2.330 17614 7896 1 7 . 1 1 206 206 PHE C C 218 176.187 176.187 177.757 -1.570 17614 7897 1 7 . 1 1 206 206 PHE CA C 218 59.045 59.045 61.671 -2.626 17614 7898 1 7 . 1 1 206 206 PHE CB C 218 38.901 38.901 38.574 0.327 17614 7899 1 7 . 1 1 206 206 PHE H H 218 8.127 8.127 7.758 0.369 17614 7900 1 7 . 1 1 207 207 THR N N 219 112.682 112.682 112.426 0.256 17614 7901 1 7 . 1 1 207 207 THR C C 219 175.997 175.997 177.054 -1.057 17614 7902 1 7 . 1 1 207 207 THR CA C 219 64.319 64.319 66.374 -2.055 17614 7903 1 7 . 1 1 207 207 THR CB C 219 63.282 63.282 68.360 -5.078 17614 7904 1 7 . 1 1 207 207 THR H H 219 7.977 7.977 7.821 0.156 17614 7905 1 7 . 1 1 208 208 SER N N 220 117.589 117.589 118.196 -0.607 17614 7906 1 7 . 1 1 208 208 SER C C 220 175.055 175.055 176.407 -1.352 17614 7907 1 7 . 1 1 208 208 SER CA C 220 61.344 61.344 61.246 0.098 17614 7908 1 7 . 1 1 208 208 SER CB C 220 63.440 63.440 62.792 0.647 17614 7909 1 7 . 1 1 208 208 SER H H 220 8.004 8.004 7.699 0.305 17614 7910 1 7 . 1 1 209 209 ALA N N 221 123.860 123.860 124.295 -0.435 17614 7911 1 7 . 1 1 209 209 ALA C C 221 177.618 177.618 178.974 -1.356 17614 7912 1 7 . 1 1 209 209 ALA CA C 221 53.932 53.932 55.055 -1.123 17614 7913 1 7 . 1 1 209 209 ALA CB C 221 18.891 18.891 18.103 0.788 17614 7914 1 7 . 1 1 209 209 ALA H H 221 7.704 7.704 7.476 0.228 17614 7915 1 7 . 1 1 210 210 PHE N N 222 116.073 116.073 119.622 -3.549 17614 7916 1 7 . 1 1 210 210 PHE C C 222 176.142 176.142 177.517 -1.375 17614 7917 1 7 . 1 1 210 210 PHE CA C 222 58.271 58.271 61.197 -2.926 17614 7918 1 7 . 1 1 210 210 PHE CB C 222 39.554 39.554 39.053 0.501 17614 7919 1 7 . 1 1 210 210 PHE H H 222 7.718 7.718 8.021 -0.303 17614 7920 1 7 . 1 1 211 211 GLY N N 223 108.578 108.578 106.460 2.118 17614 7921 1 7 . 1 1 211 211 GLY C C 223 173.889 173.889 175.514 -1.625 17614 7922 1 7 . 1 1 211 211 GLY CA C 223 45.993 45.993 47.036 -1.043 17614 7923 1 7 . 1 1 211 211 GLY H H 223 7.909 7.909 8.117 -0.208 17614 7924 1 7 . 1 1 212 212 ALA N N 224 123.322 123.322 124.768 -1.446 17614 7925 1 7 . 1 1 212 212 ALA C C 224 178.550 178.550 179.686 -1.136 17614 7926 1 7 . 1 1 212 212 ALA CA C 224 53.608 53.608 54.642 -1.034 17614 7927 1 7 . 1 1 212 212 ALA CB C 224 19.069 19.069 18.353 0.716 17614 7928 1 7 . 1 1 212 212 ALA H H 224 8.018 8.018 7.938 0.080 17614 7929 1 7 . 1 1 213 213 GLY N N 225 107.935 107.935 107.585 0.350 17614 7930 1 7 . 1 1 213 213 GLY C C 225 175.389 175.389 175.715 -0.326 17614 7931 1 7 . 1 1 213 213 GLY CA C 225 46.967 46.967 46.908 0.059 17614 7932 1 7 . 1 1 213 213 GLY H H 225 8.304 8.304 8.629 -0.325 17614 7933 1 7 . 1 1 214 214 PHE N N 226 122.440 122.440 122.959 -0.519 17614 7934 1 7 . 1 1 214 214 PHE C C 226 176.998 176.998 177.214 -0.216 17614 7935 1 7 . 1 1 214 214 PHE CA C 226 60.673 60.673 60.286 0.387 17614 7936 1 7 . 1 1 214 214 PHE CB C 226 38.319 38.319 39.435 -1.116 17614 7937 1 7 . 1 1 214 214 PHE H H 226 8.045 8.045 7.904 0.141 17614 7938 1 7 . 1 1 215 215 CYS N N 227 116.562 116.562 117.296 -0.734 17614 7939 1 7 . 1 1 215 215 CYS CA C 227 61.301 61.301 62.135 -0.834 17614 7940 1 7 . 1 1 215 215 CYS CB C 227 41.286 41.286 27.609 13.677 17614 7941 1 7 . 1 1 215 215 CYS H H 227 8.016 8.016 7.919 0.097 17614 7942 1 7 . 1 1 216 216 THR C C 228 176.437 176.437 176.475 -0.038 17614 7943 1 7 . 1 1 216 216 THR H H 228 8.410 8.410 8.419 -0.009 17614 7944 1 7 . 1 1 217 217 THR N N 229 115.234 115.234 117.640 -2.406 17614 7945 1 7 . 1 1 217 217 THR C C 229 176.749 176.749 176.293 0.456 17614 7946 1 7 . 1 1 217 217 THR CA C 229 65.980 65.980 67.048 -1.068 17614 7947 1 7 . 1 1 217 217 THR CB C 229 67.443 67.443 68.201 -0.758 17614 7948 1 7 . 1 1 217 217 THR H H 229 8.188 8.188 7.991 0.197 17614 7949 1 7 . 1 1 218 218 VAL N N 230 120.723 120.723 120.711 0.012 17614 7950 1 7 . 1 1 218 218 VAL C C 230 177.983 177.983 177.519 0.464 17614 7951 1 7 . 1 1 218 218 VAL CA C 230 66.832 66.832 65.595 1.237 17614 7952 1 7 . 1 1 218 218 VAL CB C 230 31.168 31.168 31.381 -0.213 17614 7953 1 7 . 1 1 218 218 VAL H H 230 8.027 8.027 7.120 0.907 17614 7954 1 7 . 1 1 219 219 ILE N N 231 120.541 120.541 118.419 2.122 17614 7955 1 7 . 1 1 219 219 ILE C C 231 177.368 177.368 177.624 -0.256 17614 7956 1 7 . 1 1 219 219 ILE CA C 231 65.575 65.575 62.351 3.224 17614 7957 1 7 . 1 1 219 219 ILE CB C 231 37.722 37.722 36.724 0.998 17614 7958 1 7 . 1 1 219 219 ILE H H 231 8.458 8.458 7.270 1.188 17614 7959 1 7 . 1 1 220 220 ALA N N 232 122.766 122.766 121.474 1.292 17614 7960 1 7 . 1 1 220 220 ALA C C 232 178.847 178.847 179.833 -0.986 17614 7961 1 7 . 1 1 220 220 ALA CA C 232 55.252 55.252 54.794 0.458 17614 7962 1 7 . 1 1 220 220 ALA CB C 232 17.874 17.874 18.390 -0.516 17614 7963 1 7 . 1 1 220 220 ALA H H 232 8.589 8.589 8.166 0.423 17614 7964 1 7 . 1 1 221 221 SER N N 233 113.387 113.387 114.529 -1.142 17614 7965 1 7 . 1 1 221 221 SER CA C 233 62.348 62.348 62.946 -0.598 17614 7966 1 7 . 1 1 221 221 SER CB C 233 61.630 61.630 61.822 -0.192 17614 7967 1 7 . 1 1 221 221 SER H H 233 8.218 8.218 8.045 0.173 17614 7968 1 7 . 1 1 222 222 PRO C C 234 178.221 178.221 178.317 -0.096 17614 7969 1 7 . 1 1 223 223 VAL N N 235 116.087 116.087 115.033 1.054 17614 7970 1 7 . 1 1 223 223 VAL C C 235 177.089 177.089 177.552 -0.463 17614 7971 1 7 . 1 1 223 223 VAL CA C 235 65.072 65.072 65.533 -0.461 17614 7972 1 7 . 1 1 223 223 VAL CB C 235 31.084 31.084 31.154 -0.070 17614 7973 1 7 . 1 1 223 223 VAL H H 235 8.142 8.142 7.357 0.785 17614 7974 1 7 . 1 1 224 224 ASP N N 236 121.556 121.556 119.674 1.882 17614 7975 1 7 . 1 1 224 224 ASP C C 236 177.422 177.422 178.253 -0.831 17614 7976 1 7 . 1 1 224 224 ASP CA C 236 57.135 57.135 57.197 -0.062 17614 7977 1 7 . 1 1 224 224 ASP CB C 236 40.065 40.065 40.769 -0.704 17614 7978 1 7 . 1 1 224 224 ASP H H 236 7.932 7.932 7.400 0.532 17614 7979 1 7 . 1 1 225 225 VAL N N 237 117.233 117.233 117.577 -0.344 17614 7980 1 7 . 1 1 225 225 VAL CA C 237 64.977 64.977 65.511 -0.534 17614 7981 1 7 . 1 1 225 225 VAL CB C 237 31.013 31.013 30.606 0.407 17614 7982 1 7 . 1 1 225 225 VAL H H 237 7.710 7.710 7.461 0.249 17614 7983 1 7 . 1 1 226 226 VAL C C 238 177.584 177.584 177.611 -0.027 17614 7984 1 7 . 1 1 226 226 VAL H H 238 7.607 7.607 7.399 0.208 17614 7985 1 7 . 1 1 227 227 LYS N N 239 120.095 120.095 118.293 1.802 17614 7986 1 7 . 1 1 227 227 LYS C C 239 178.678 178.678 179.363 -0.685 17614 7987 1 7 . 1 1 227 227 LYS CA C 239 58.483 58.483 58.939 -0.456 17614 7988 1 7 . 1 1 227 227 LYS CB C 239 31.863 31.863 32.061 -0.198 17614 7989 1 7 . 1 1 227 227 LYS H H 239 7.761 7.761 7.559 0.202 17614 7990 1 7 . 1 1 228 228 THR N N 240 115.247 115.247 114.402 0.845 17614 7991 1 7 . 1 1 228 228 THR C C 240 175.093 175.093 175.427 -0.334 17614 7992 1 7 . 1 1 228 228 THR CA C 240 66.458 66.458 65.065 1.393 17614 7993 1 7 . 1 1 228 228 THR CB C 240 68.011 68.011 68.945 -0.934 17614 7994 1 7 . 1 1 228 228 THR H H 240 7.761 7.761 7.584 0.177 17614 7995 1 7 . 1 1 229 229 ARG N N 241 119.633 119.633 120.561 -0.928 17614 7996 1 7 . 1 1 229 229 ARG CA C 241 57.133 57.133 57.723 -0.590 17614 7997 1 7 . 1 1 229 229 ARG CB C 241 31.218 31.218 30.526 0.692 17614 7998 1 7 . 1 1 229 229 ARG H H 241 7.383 7.383 7.467 -0.084 17614 7999 1 7 . 1 1 230 230 TYR C C 242 174.956 174.956 173.871 1.085 17614 8000 1 7 . 1 1 230 230 TYR H H 242 8.699 8.699 8.497 0.202 17614 8001 1 7 . 1 1 231 231 MET N N 243 118.458 118.458 121.152 -2.694 17614 8002 1 7 . 1 1 231 231 MET C C 243 175.676 175.676 175.114 0.562 17614 8003 1 7 . 1 1 231 231 MET CA C 243 54.417 54.417 55.245 -0.827 17614 8004 1 7 . 1 1 231 231 MET H H 243 7.442 7.442 7.946 -0.504 17614 8005 1 7 . 1 1 232 232 ASN N N 244 116.369 116.369 118.561 -2.192 17614 8006 1 7 . 1 1 232 232 ASN C C 244 174.919 174.919 173.868 1.051 17614 8007 1 7 . 1 1 232 232 ASN CA C 244 59.470 59.470 53.280 6.190 17614 8008 1 7 . 1 1 232 232 ASN CB C 244 39.079 39.079 38.121 0.958 17614 8009 1 7 . 1 1 232 232 ASN H H 244 7.772 7.772 8.425 -0.653 17614 8010 1 7 . 1 1 233 233 SER N N 245 114.568 114.568 110.630 3.938 17614 8011 1 7 . 1 1 233 233 SER C C 245 175.695 175.695 172.694 3.001 17614 8012 1 7 . 1 1 233 233 SER CA C 245 53.852 53.852 58.643 -4.791 17614 8013 1 7 . 1 1 233 233 SER CB C 245 61.232 61.232 62.432 -1.200 17614 8014 1 7 . 1 1 233 233 SER H H 245 8.475 8.475 8.512 -0.037 17614 8015 1 7 . 1 1 234 234 ALA N N 246 127.283 127.283 122.359 4.924 17614 8016 1 7 . 1 1 234 234 ALA C C 246 177.128 177.128 177.007 0.121 17614 8017 1 7 . 1 1 234 234 ALA CA C 246 56.803 56.803 51.790 5.013 17614 8018 1 7 . 1 1 234 234 ALA CB C 246 18.901 18.901 19.134 -0.233 17614 8019 1 7 . 1 1 234 234 ALA H H 246 7.929 7.929 7.997 -0.068 17614 8020 1 7 . 1 1 235 235 LEU N N 247 118.112 118.112 119.386 -1.274 17614 8021 1 7 . 1 1 235 235 LEU C C 247 176.723 176.723 177.676 -0.953 17614 8022 1 7 . 1 1 235 235 LEU CA C 247 54.156 54.156 55.291 -1.135 17614 8023 1 7 . 1 1 235 235 LEU CB C 247 41.215 41.215 42.552 -1.337 17614 8024 1 7 . 1 1 235 235 LEU H H 247 7.922 7.922 7.831 0.091 17614 8025 1 7 . 1 1 236 236 GLY N N 248 107.203 107.203 104.243 2.960 17614 8026 1 7 . 1 1 236 236 GLY CA C 248 44.558 44.558 44.902 -0.344 17614 8027 1 7 . 1 1 236 236 GLY H H 248 8.318 8.318 8.026 0.292 17614 8028 1 7 . 1 1 238 238 TYR C C 250 175.942 175.942 175.180 0.762 17614 8029 1 7 . 1 1 238 238 TYR H H 250 8.134 8.134 8.163 -0.029 17614 8030 1 7 . 1 1 239 239 HIS N N 251 123.281 123.281 122.686 0.595 17614 8031 1 7 . 1 1 239 239 HIS C C 251 174.531 174.531 175.205 -0.674 17614 8032 1 7 . 1 1 239 239 HIS CA C 251 58.931 58.931 57.912 1.019 17614 8033 1 7 . 1 1 239 239 HIS CB C 251 29.525 29.525 30.322 -0.797 17614 8034 1 7 . 1 1 239 239 HIS H H 251 8.184 8.184 8.907 -0.723 17614 8035 1 7 . 1 1 240 240 SER N N 252 110.038 110.038 110.843 -0.805 17614 8036 1 7 . 1 1 240 240 SER C C 252 174.429 174.429 173.676 0.753 17614 8037 1 7 . 1 1 240 240 SER CA C 252 57.452 57.452 57.535 -0.083 17614 8038 1 7 . 1 1 240 240 SER CB C 252 65.022 65.022 65.911 -0.889 17614 8039 1 7 . 1 1 240 240 SER H H 252 8.010 8.010 7.814 0.196 17614 8040 1 7 . 1 1 241 241 ALA N N 253 123.034 123.034 124.512 -1.478 17614 8041 1 7 . 1 1 241 241 ALA C C 253 179.249 179.249 179.684 -0.435 17614 8042 1 7 . 1 1 241 241 ALA CA C 253 54.981 54.981 55.258 -0.277 17614 8043 1 7 . 1 1 241 241 ALA CB C 253 19.069 19.069 18.359 0.710 17614 8044 1 7 . 1 1 241 241 ALA H H 253 8.034 8.034 8.639 -0.605 17614 8045 1 7 . 1 1 242 242 GLY N N 254 106.379 106.379 105.973 0.406 17614 8046 1 7 . 1 1 242 242 GLY C C 254 174.433 174.433 175.644 -1.211 17614 8047 1 7 . 1 1 242 242 GLY CA C 254 47.615 47.615 46.799 0.816 17614 8048 1 7 . 1 1 242 242 GLY H H 254 8.427 8.427 8.689 -0.262 17614 8049 1 7 . 1 1 243 243 HIS N N 255 121.119 121.119 121.520 -0.401 17614 8050 1 7 . 1 1 243 243 HIS C C 255 178.084 178.084 177.246 0.838 17614 8051 1 7 . 1 1 243 243 HIS CA C 255 60.144 60.144 58.918 1.226 17614 8052 1 7 . 1 1 243 243 HIS CB C 255 33.073 33.073 30.055 3.018 17614 8053 1 7 . 1 1 243 243 HIS H H 255 8.304 8.304 8.455 -0.151 17614 8054 1 7 . 1 1 244 244 CYS N N 256 117.946 117.946 118.566 -0.620 17614 8055 1 7 . 1 1 244 244 CYS C C 256 175.453 175.453 176.335 -0.882 17614 8056 1 7 . 1 1 244 244 CYS CA C 256 58.668 58.668 61.907 -3.239 17614 8057 1 7 . 1 1 244 244 CYS CB C 256 41.434 41.434 26.179 15.255 17614 8058 1 7 . 1 1 244 244 CYS H H 256 8.168 8.168 8.145 0.023 17614 8059 1 7 . 1 1 245 245 ALA N N 257 123.138 123.138 123.131 0.007 17614 8060 1 7 . 1 1 245 245 ALA C C 257 179.489 179.489 179.747 -0.258 17614 8061 1 7 . 1 1 245 245 ALA CA C 257 54.589 54.589 55.434 -0.845 17614 8062 1 7 . 1 1 245 245 ALA CB C 257 17.675 17.675 18.003 -0.328 17614 8063 1 7 . 1 1 245 245 ALA H H 257 7.932 7.932 7.656 0.276 17614 8064 1 7 . 1 1 246 246 LEU N N 258 119.779 119.779 118.455 1.324 17614 8065 1 7 . 1 1 246 246 LEU C C 258 178.234 178.234 179.495 -1.261 17614 8066 1 7 . 1 1 246 246 LEU CA C 258 56.967 56.967 57.995 -1.028 17614 8067 1 7 . 1 1 246 246 LEU CB C 258 41.067 41.067 40.731 0.336 17614 8068 1 7 . 1 1 246 246 LEU H H 258 7.681 7.681 7.743 -0.062 17614 8069 1 7 . 1 1 247 247 THR N N 259 114.552 114.552 116.649 -2.097 17614 8070 1 7 . 1 1 247 247 THR C C 259 176.244 176.244 176.699 -0.455 17614 8071 1 7 . 1 1 247 247 THR CA C 259 66.511 66.511 66.832 -0.321 17614 8072 1 7 . 1 1 247 247 THR CB C 259 67.274 67.274 68.726 -1.452 17614 8073 1 7 . 1 1 247 247 THR H H 259 7.855 7.855 7.692 0.163 17614 8074 1 7 . 1 1 248 248 MET N N 260 118.862 118.862 122.199 -3.337 17614 8075 1 7 . 1 1 248 248 MET C C 260 177.094 177.094 178.149 -1.055 17614 8076 1 7 . 1 1 248 248 MET CA C 260 58.532 58.532 58.374 0.158 17614 8077 1 7 . 1 1 248 248 MET CB C 260 32.288 32.288 31.622 0.665 17614 8078 1 7 . 1 1 248 248 MET H H 260 8.296 8.296 8.783 -0.487 17614 8079 1 7 . 1 1 249 249 LEU N N 261 116.839 116.839 121.568 -4.729 17614 8080 1 7 . 1 1 249 249 LEU C C 261 178.162 178.162 178.561 -0.399 17614 8081 1 7 . 1 1 249 249 LEU CA C 261 58.167 58.167 58.445 -0.278 17614 8082 1 7 . 1 1 249 249 LEU CB C 261 42.202 42.202 41.845 0.357 17614 8083 1 7 . 1 1 249 249 LEU H H 261 8.053 8.053 8.461 -0.408 17614 8084 1 7 . 1 1 250 250 ARG N N 262 116.821 116.821 117.498 -0.677 17614 8085 1 7 . 1 1 250 250 ARG CA C 262 58.761 58.761 59.059 -0.298 17614 8086 1 7 . 1 1 250 250 ARG CB C 262 30.825 30.825 30.228 0.597 17614 8087 1 7 . 1 1 250 250 ARG H H 262 7.827 7.827 7.562 0.265 17614 8088 1 7 . 1 1 254 254 PRO C C 266 177.152 177.152 178.115 -0.963 17614 8089 1 7 . 1 1 254 254 PRO CA C 266 65.152 65.152 64.325 0.827 17614 8090 1 7 . 1 1 255 255 ARG N N 267 117.739 117.739 118.074 -0.335 17614 8091 1 7 . 1 1 255 255 ARG C C 267 177.463 177.463 177.841 -0.378 17614 8092 1 7 . 1 1 255 255 ARG CA C 267 59.335 59.335 59.157 0.178 17614 8093 1 7 . 1 1 255 255 ARG CB C 267 30.185 30.185 29.545 0.640 17614 8094 1 7 . 1 1 255 255 ARG H H 267 8.072 8.072 8.052 0.020 17614 8095 1 7 . 1 1 256 256 ALA N N 268 121.709 121.709 121.284 0.425 17614 8096 1 7 . 1 1 256 256 ALA C C 268 179.251 179.251 178.207 1.044 17614 8097 1 7 . 1 1 256 256 ALA CA C 268 54.631 54.631 54.489 0.142 17614 8098 1 7 . 1 1 256 256 ALA CB C 268 18.683 18.683 18.355 0.328 17614 8099 1 7 . 1 1 256 256 ALA H H 268 7.963 7.963 7.629 0.334 17614 8100 1 7 . 1 1 257 257 PHE N N 269 117.096 117.096 116.214 0.882 17614 8101 1 7 . 1 1 257 257 PHE C C 269 175.987 175.987 177.866 -1.879 17614 8102 1 7 . 1 1 257 257 PHE CA C 269 61.037 61.037 61.106 -0.069 17614 8103 1 7 . 1 1 257 257 PHE CB C 269 38.637 38.637 38.939 -0.302 17614 8104 1 7 . 1 1 257 257 PHE H H 269 7.832 7.832 7.525 0.307 17614 8105 1 7 . 1 1 258 258 TYR N N 270 118.496 118.496 119.182 -0.686 17614 8106 1 7 . 1 1 258 258 TYR C C 270 176.250 176.250 176.067 0.183 17614 8107 1 7 . 1 1 258 258 TYR CA C 270 60.116 60.116 59.987 0.129 17614 8108 1 7 . 1 1 258 258 TYR CB C 270 38.882 38.882 38.839 0.043 17614 8109 1 7 . 1 1 258 258 TYR H H 270 7.813 7.813 7.632 0.181 17614 8110 1 7 . 1 1 259 259 LYS N N 271 119.458 119.458 119.254 0.204 17614 8111 1 7 . 1 1 259 259 LYS C C 271 177.696 177.696 175.885 1.811 17614 8112 1 7 . 1 1 259 259 LYS CA C 271 57.192 57.192 56.097 1.095 17614 8113 1 7 . 1 1 259 259 LYS CB C 271 32.734 32.734 33.175 -0.441 17614 8114 1 7 . 1 1 259 259 LYS H H 271 7.864 7.864 7.869 -0.005 17614 8115 1 7 . 1 1 260 260 GLY N N 272 106.217 106.217 107.589 -1.372 17614 8116 1 7 . 1 1 260 260 GLY C C 272 173.967 173.967 173.225 0.742 17614 8117 1 7 . 1 1 260 260 GLY CA C 272 46.117 46.117 45.578 0.539 17614 8118 1 7 . 1 1 260 260 GLY H H 272 7.622 7.622 8.375 -0.753 17614 8119 1 7 . 1 1 261 261 PHE N N 273 118.847 118.847 117.441 1.406 17614 8120 1 7 . 1 1 261 261 PHE C C 273 175.055 175.055 174.895 0.160 17614 8121 1 7 . 1 1 261 261 PHE CA C 273 57.721 57.721 57.464 0.258 17614 8122 1 7 . 1 1 261 261 PHE CB C 273 40.183 40.183 39.055 1.128 17614 8123 1 7 . 1 1 261 261 PHE H H 273 7.677 7.677 7.563 0.114 17614 8124 1 7 . 1 1 265 265 PHE C C 277 176.602 176.602 177.124 -0.522 17614 8125 1 7 . 1 1 265 265 PHE CA C 277 61.838 61.838 61.526 0.312 17614 8126 1 7 . 1 1 265 265 PHE CB C 277 39.537 39.537 39.276 0.261 17614 8127 1 7 . 1 1 265 265 PHE H H 277 7.695 7.695 8.278 -0.583 17614 8128 1 7 . 1 1 266 266 LEU N N 278 118.465 118.465 120.148 -1.683 17614 8129 1 7 . 1 1 266 266 LEU C C 278 177.152 177.152 178.533 -1.381 17614 8130 1 7 . 1 1 266 266 LEU CA C 278 56.115 56.115 58.373 -2.258 17614 8131 1 7 . 1 1 266 266 LEU CB C 278 42.398 42.398 41.890 0.508 17614 8132 1 7 . 1 1 266 266 LEU H H 278 8.104 8.104 8.212 -0.108 17614 8133 1 7 . 1 1 267 267 ARG N N 279 118.749 118.749 118.932 -0.183 17614 8134 1 7 . 1 1 267 267 ARG C C 279 176.608 176.608 178.832 -2.224 17614 8135 1 7 . 1 1 267 267 ARG CA C 279 56.938 56.938 59.692 -2.754 17614 8136 1 7 . 1 1 267 267 ARG CB C 279 30.659 30.659 30.038 0.621 17614 8137 1 7 . 1 1 267 267 ARG H H 279 7.472 7.472 7.972 -0.500 17614 8138 1 7 . 1 1 268 268 LEU N N 280 120.305 120.305 120.224 0.081 17614 8139 1 7 . 1 1 268 268 LEU C C 280 177.540 177.540 178.523 -0.983 17614 8140 1 7 . 1 1 268 268 LEU CA C 280 57.094 57.094 58.172 -1.078 17614 8141 1 7 . 1 1 268 268 LEU CB C 280 42.027 42.027 40.959 1.068 17614 8142 1 7 . 1 1 268 268 LEU H H 280 7.690 7.690 8.176 -0.486 17614 8143 1 7 . 1 1 269 269 GLY N N 281 106.837 106.837 107.171 -0.334 17614 8144 1 7 . 1 1 269 269 GLY C C 281 174.045 174.045 176.006 -1.961 17614 8145 1 7 . 1 1 269 269 GLY CA C 281 46.967 46.967 47.240 -0.273 17614 8146 1 7 . 1 1 269 269 GLY H H 281 7.881 7.881 7.773 0.108 17614 8147 1 7 . 1 1 270 270 SER N N 282 115.531 115.531 118.658 -3.127 17614 8148 1 7 . 1 1 270 270 SER C C 282 174.123 174.123 176.309 -2.186 17614 8149 1 7 . 1 1 270 270 SER CA C 282 58.796 58.796 62.238 -3.442 17614 8150 1 7 . 1 1 270 270 SER CB C 282 58.975 58.975 63.193 -4.218 17614 8151 1 7 . 1 1 270 270 SER H H 282 7.813 7.813 7.532 0.281 17614 8152 1 7 . 1 1 271 271 TRP N N 283 122.851 122.851 123.143 -0.292 17614 8153 1 7 . 1 1 271 271 TRP C C 283 176.142 176.142 177.532 -1.390 17614 8154 1 7 . 1 1 271 271 TRP CA C 283 59.221 59.221 60.984 -1.763 17614 8155 1 7 . 1 1 271 271 TRP CB C 283 30.446 30.446 29.483 0.963 17614 8156 1 7 . 1 1 271 271 TRP H H 283 8.186 8.186 8.644 -0.458 17614 8157 1 7 . 1 1 272 272 ASN N N 284 118.459 118.459 117.735 0.724 17614 8158 1 7 . 1 1 272 272 ASN CA C 284 55.325 55.325 56.028 -0.703 17614 8159 1 7 . 1 1 272 272 ASN CB C 284 39.504 39.504 37.857 1.647 17614 8160 1 7 . 1 1 272 272 ASN H H 284 8.127 8.127 8.018 0.109 17614 8161 1 7 . 1 1 273 273 VAL C C 285 177.263 177.263 177.374 -0.111 17614 8162 1 7 . 1 1 273 273 VAL H H 285 7.854 7.854 7.402 0.452 17614 8163 1 7 . 1 1 274 274 VAL N N 286 119.883 119.883 116.156 3.727 17614 8164 1 7 . 1 1 274 274 VAL C C 286 177.072 177.072 177.470 -0.398 17614 8165 1 7 . 1 1 274 274 VAL CA C 286 64.717 64.717 65.449 -0.732 17614 8166 1 7 . 1 1 274 274 VAL CB C 286 29.553 29.553 31.212 -1.659 17614 8167 1 7 . 1 1 274 274 VAL H H 286 7.483 7.483 7.007 0.476 17614 8168 1 7 . 1 1 275 275 MET N N 287 120.401 120.401 119.495 0.906 17614 8169 1 7 . 1 1 275 275 MET C C 287 177.594 177.594 177.591 0.003 17614 8170 1 7 . 1 1 275 275 MET CA C 287 57.654 57.654 57.568 0.086 17614 8171 1 7 . 1 1 275 275 MET CB C 287 31.592 31.592 31.932 -0.340 17614 8172 1 7 . 1 1 275 275 MET H H 287 8.118 8.118 7.097 1.021 17614 8173 1 7 . 1 1 276 276 PHE N N 288 122.234 122.234 119.230 3.004 17614 8174 1 7 . 1 1 276 276 PHE C C 288 176.498 176.498 177.504 -1.006 17614 8175 1 7 . 1 1 276 276 PHE CA C 288 61.766 61.766 61.712 0.055 17614 8176 1 7 . 1 1 276 276 PHE CB C 288 39.031 39.031 38.976 0.055 17614 8177 1 7 . 1 1 276 276 PHE H H 288 7.878 7.878 7.541 0.337 17614 8178 1 7 . 1 1 277 277 VAL N N 289 118.907 118.907 118.049 0.858 17614 8179 1 7 . 1 1 277 277 VAL CA C 289 64.566 64.566 66.906 -2.340 17614 8180 1 7 . 1 1 277 277 VAL CB C 289 30.544 30.544 31.389 -0.845 17614 8181 1 7 . 1 1 277 277 VAL H H 289 7.913 7.913 7.703 0.210 17614 8182 1 7 . 1 1 278 278 THR C C 290 175.376 175.376 176.560 -1.184 17614 8183 1 7 . 1 1 278 278 THR H H 290 8.095 8.095 7.508 0.587 17614 8184 1 7 . 1 1 279 279 TYR N N 291 118.029 118.029 121.371 -3.342 17614 8185 1 7 . 1 1 279 279 TYR C C 291 176.919 176.919 177.775 -0.856 17614 8186 1 7 . 1 1 279 279 TYR CA C 291 61.717 61.717 59.845 1.872 17614 8187 1 7 . 1 1 279 279 TYR CB C 291 38.020 38.020 37.414 0.606 17614 8188 1 7 . 1 1 279 279 TYR H H 291 7.986 7.986 7.619 0.367 17614 8189 1 7 . 1 1 280 280 GLU N N 292 118.005 118.005 119.137 -1.132 17614 8190 1 7 . 1 1 280 280 GLU C C 292 176.686 176.686 178.703 -2.017 17614 8191 1 7 . 1 1 280 280 GLU CA C 292 60.084 60.084 59.629 0.455 17614 8192 1 7 . 1 1 280 280 GLU CB C 292 29.443 29.443 29.102 0.341 17614 8193 1 7 . 1 1 280 280 GLU H H 292 8.359 8.359 7.973 0.386 17614 8194 1 7 . 1 1 281 281 GLN N N 293 118.746 118.746 118.503 0.243 17614 8195 1 7 . 1 1 281 281 GLN C C 293 176.210 176.210 178.198 -1.988 17614 8196 1 7 . 1 1 281 281 GLN CA C 293 58.986 58.986 58.523 0.463 17614 8197 1 7 . 1 1 281 281 GLN CB C 293 28.784 28.784 28.159 0.625 17614 8198 1 7 . 1 1 281 281 GLN H H 293 7.704 7.704 7.542 0.162 17614 8199 1 7 . 1 1 282 282 LEU N N 294 120.970 120.970 118.970 2.000 17614 8200 1 7 . 1 1 282 282 LEU C C 294 178.084 178.084 178.487 -0.403 17614 8201 1 7 . 1 1 282 282 LEU CA C 294 58.741 58.741 56.753 1.988 17614 8202 1 7 . 1 1 282 282 LEU CB C 294 41.451 41.451 41.568 -0.117 17614 8203 1 7 . 1 1 282 282 LEU H H 294 7.995 7.995 7.400 0.595 17614 8204 1 7 . 1 1 283 283 LYS N N 295 117.756 117.756 117.711 0.045 17614 8205 1 7 . 1 1 283 283 LYS CA C 295 59.048 59.048 58.171 0.877 17614 8206 1 7 . 1 1 283 283 LYS CB C 295 31.871 31.871 33.017 -1.146 17614 8207 1 7 . 1 1 283 283 LYS H H 295 7.731 7.731 7.725 0.006 17614 8208 1 7 . 1 1 284 284 ARG H H 296 7.895 7.895 7.684 0.211 17614 8209 1 7 . 1 1 285 285 ALA C C 297 176.488 176.488 177.709 -1.221 17614 8210 1 7 . 1 1 285 285 ALA H H 297 8.223 8.223 8.342 -0.119 17614 8211 1 7 . 1 1 286 286 LEU N N 298 117.376 117.376 119.402 -2.026 17614 8212 1 7 . 1 1 286 286 LEU C C 298 178.628 178.628 177.087 1.541 17614 8213 1 7 . 1 1 286 286 LEU CA C 298 58.217 58.217 56.008 2.209 17614 8214 1 7 . 1 1 286 286 LEU CB C 298 41.905 41.905 41.640 0.265 17614 8215 1 7 . 1 1 286 286 LEU H H 298 7.947 7.947 8.358 -0.411 17614 8216 1 7 . 1 1 287 287 MET N N 299 127.376 127.376 116.325 11.051 17614 8217 1 7 . 1 1 287 287 MET C C 299 178.472 178.472 175.315 3.157 17614 8218 1 7 . 1 1 287 287 MET CA C 299 58.461 58.461 55.826 2.635 17614 8219 1 7 . 1 1 287 287 MET CB C 299 32.110 32.110 31.612 0.498 17614 8220 1 7 . 1 1 287 287 MET H H 299 8.182 8.182 7.688 0.494 17614 8221 1 7 . 1 1 288 288 ALA N N 300 121.854 121.854 122.036 -0.182 17614 8222 1 7 . 1 1 288 288 ALA C C 300 180.197 180.197 176.556 3.641 17614 8223 1 7 . 1 1 288 288 ALA CA C 300 55.617 55.617 51.519 4.098 17614 8224 1 7 . 1 1 288 288 ALA CB C 300 18.215 18.215 20.241 -2.026 17614 8225 1 7 . 1 1 288 288 ALA H H 300 7.841 7.841 7.953 -0.112 17614 8226 1 7 . 1 1 289 289 ALA N N 301 121.224 121.224 128.821 -7.597 17614 8227 1 7 . 1 1 289 289 ALA C C 301 178.939 178.939 178.534 0.405 17614 8228 1 7 . 1 1 289 289 ALA CA C 301 55.186 55.186 54.299 0.887 17614 8229 1 7 . 1 1 289 289 ALA CB C 301 18.735 18.735 19.139 -0.404 17614 8230 1 7 . 1 1 289 289 ALA H H 301 7.872 7.872 8.754 -0.882 17614 8231 1 7 . 1 1 290 290 TYR N N 302 118.183 118.183 119.779 -1.596 17614 8232 1 7 . 1 1 290 290 TYR C C 302 176.841 176.841 177.571 -0.730 17614 8233 1 7 . 1 1 290 290 TYR CA C 302 60.868 60.868 61.544 -0.676 17614 8234 1 7 . 1 1 290 290 TYR CB C 302 39.344 39.344 37.935 1.409 17614 8235 1 7 . 1 1 290 290 TYR H H 302 8.100 8.100 8.584 -0.484 17614 8236 1 7 . 1 1 291 291 GLN N N 303 117.243 117.243 117.656 -0.413 17614 8237 1 7 . 1 1 291 291 GLN C C 303 176.997 176.997 178.698 -1.701 17614 8238 1 7 . 1 1 291 291 GLN CA C 303 58.787 58.787 58.876 -0.089 17614 8239 1 7 . 1 1 291 291 GLN CB C 303 29.216 29.216 28.091 1.125 17614 8240 1 7 . 1 1 291 291 GLN H H 303 8.059 8.059 8.590 -0.531 17614 8241 1 7 . 1 1 292 292 SER N N 304 114.721 114.721 115.087 -0.366 17614 8242 1 7 . 1 1 292 292 SER C C 304 174.511 174.511 175.828 -1.317 17614 8243 1 7 . 1 1 292 292 SER CA C 304 59.720 59.720 61.420 -1.700 17614 8244 1 7 . 1 1 292 292 SER CB C 304 63.896 63.896 63.005 0.891 17614 8245 1 7 . 1 1 292 292 SER H H 304 7.718 7.718 7.962 -0.244 17614 8246 1 7 . 1 1 293 293 ARG N N 305 121.401 121.401 121.579 -0.178 17614 8247 1 7 . 1 1 293 293 ARG C C 305 175.521 175.521 177.890 -2.369 17614 8248 1 7 . 1 1 293 293 ARG CA C 305 59.639 59.639 58.549 1.090 17614 8249 1 7 . 1 1 293 293 ARG CB C 305 30.568 30.568 30.464 0.104 17614 8250 1 7 . 1 1 293 293 ARG H H 305 7.609 7.609 8.178 -0.569 17614 8251 1 7 . 1 1 294 294 GLU N N 306 120.090 120.090 117.211 2.879 17614 8252 1 7 . 1 1 294 294 GLU C C 306 177.648 177.648 179.039 -1.391 17614 8253 1 7 . 1 1 294 294 GLU CA C 306 59.624 59.624 58.670 0.954 17614 8254 1 7 . 1 1 294 294 GLU CB C 306 30.362 30.362 29.514 0.848 17614 8255 1 7 . 1 1 294 294 GLU H H 306 7.909 7.909 7.630 0.279 17614 8256 1 7 . 1 1 295 295 ALA N N 307 121.234 121.234 123.833 -2.599 17614 8257 1 7 . 1 1 295 295 ALA C C 307 176.014 176.014 177.103 -1.089 17614 8258 1 7 . 1 1 295 295 ALA CA C 307 56.844 56.844 55.656 1.188 17614 8259 1 7 . 1 1 295 295 ALA CB C 307 17.735 17.735 16.929 0.806 17614 8260 1 7 . 1 1 295 295 ALA H H 307 7.760 7.760 7.656 0.104 17614 8261 1 8 . 1 1 3 3 VAL N N 15 123.095 123.095 125.105 -2.010 17614 8262 1 8 . 1 1 3 3 VAL C C 15 176.453 176.453 176.338 0.115 17614 8263 1 8 . 1 1 3 3 VAL CA C 15 63.979 63.979 60.866 3.113 17614 8264 1 8 . 1 1 3 3 VAL CB C 15 32.507 32.507 35.568 -3.061 17614 8265 1 8 . 1 1 3 3 VAL H H 15 8.053 8.053 8.465 -0.412 17614 8266 1 8 . 1 1 4 4 LYS N N 16 123.075 123.075 125.721 -2.646 17614 8267 1 8 . 1 1 4 4 LYS C C 16 176.841 176.841 179.027 -2.186 17614 8268 1 8 . 1 1 4 4 LYS CA C 16 59.762 59.762 59.608 0.154 17614 8269 1 8 . 1 1 4 4 LYS CB C 16 32.751 32.751 32.521 0.230 17614 8270 1 8 . 1 1 4 4 LYS H H 16 8.059 8.059 8.801 -0.742 17614 8271 1 8 . 1 1 5 5 PHE N N 17 118.838 118.838 120.592 -1.754 17614 8272 1 8 . 1 1 5 5 PHE C C 17 175.443 175.443 177.274 -1.831 17614 8273 1 8 . 1 1 5 5 PHE CA C 17 59.915 59.915 60.478 -0.563 17614 8274 1 8 . 1 1 5 5 PHE CB C 17 39.659 39.659 38.819 0.840 17614 8275 1 8 . 1 1 5 5 PHE H H 17 7.909 7.909 8.072 -0.163 17614 8276 1 8 . 1 1 6 6 LEU N N 18 119.089 119.089 120.241 -1.152 17614 8277 1 8 . 1 1 6 6 LEU C C 18 177.195 177.195 177.577 -0.382 17614 8278 1 8 . 1 1 6 6 LEU CA C 18 55.385 55.385 56.577 -1.192 17614 8279 1 8 . 1 1 6 6 LEU CB C 18 42.905 42.905 41.712 1.193 17614 8280 1 8 . 1 1 6 6 LEU H H 18 7.814 7.814 8.127 -0.313 17614 8281 1 8 . 1 1 7 7 GLY N N 19 108.484 108.484 107.790 0.694 17614 8282 1 8 . 1 1 7 7 GLY C C 19 174.967 174.967 175.506 -0.539 17614 8283 1 8 . 1 1 7 7 GLY CA C 19 45.518 45.518 47.096 -1.579 17614 8284 1 8 . 1 1 7 7 GLY H H 19 8.032 8.032 8.295 -0.263 17614 8285 1 8 . 1 1 8 8 ALA N N 20 124.208 124.208 123.796 0.412 17614 8286 1 8 . 1 1 8 8 ALA C C 20 179.405 179.405 179.360 0.045 17614 8287 1 8 . 1 1 8 8 ALA CA C 20 54.531 54.531 54.380 0.151 17614 8288 1 8 . 1 1 8 8 ALA CB C 20 18.995 18.995 18.109 0.886 17614 8289 1 8 . 1 1 8 8 ALA H H 20 8.318 8.318 7.961 0.357 17614 8290 1 8 . 1 1 9 9 GLY N N 21 108.209 108.209 107.052 1.157 17614 8291 1 8 . 1 1 9 9 GLY C C 21 175.676 175.676 176.204 -0.528 17614 8292 1 8 . 1 1 9 9 GLY CA C 21 46.742 46.742 47.244 -0.502 17614 8293 1 8 . 1 1 9 9 GLY H H 21 8.523 8.523 8.008 0.515 17614 8294 1 8 . 1 1 10 10 THR N N 22 119.542 119.542 115.070 4.472 17614 8295 1 8 . 1 1 10 10 THR C C 22 175.661 175.661 176.063 -0.402 17614 8296 1 8 . 1 1 10 10 THR CA C 22 66.401 66.401 65.621 0.780 17614 8297 1 8 . 1 1 10 10 THR CB C 22 68.866 68.866 68.445 0.421 17614 8298 1 8 . 1 1 10 10 THR H H 22 7.881 7.881 8.202 -0.321 17614 8299 1 8 . 1 1 11 11 ALA N N 23 123.431 123.431 124.203 -0.772 17614 8300 1 8 . 1 1 11 11 ALA C C 23 178.628 178.628 179.040 -0.412 17614 8301 1 8 . 1 1 11 11 ALA CA C 23 55.480 55.480 54.861 0.619 17614 8302 1 8 . 1 1 11 11 ALA CB C 23 18.218 18.218 17.998 0.220 17614 8303 1 8 . 1 1 11 11 ALA H H 23 8.263 8.263 7.503 0.760 17614 8304 1 8 . 1 1 12 12 ALA N N 24 119.939 119.939 120.454 -0.515 17614 8305 1 8 . 1 1 12 12 ALA C C 24 179.172 179.172 179.148 0.024 17614 8306 1 8 . 1 1 12 12 ALA CA C 24 55.038 55.038 54.929 0.109 17614 8307 1 8 . 1 1 12 12 ALA CB C 24 18.385 18.385 18.179 0.206 17614 8308 1 8 . 1 1 12 12 ALA H H 24 7.827 7.827 8.259 -0.432 17614 8309 1 8 . 1 1 13 13 CYS N N 25 116.736 116.736 117.749 -1.013 17614 8310 1 8 . 1 1 13 13 CYS C C 25 176.220 176.220 176.874 -0.654 17614 8311 1 8 . 1 1 13 13 CYS CA C 25 58.596 58.596 62.778 -4.182 17614 8312 1 8 . 1 1 13 13 CYS CB C 25 41.771 41.771 27.069 14.702 17614 8313 1 8 . 1 1 13 13 CYS H H 25 7.677 7.677 7.433 0.244 17614 8314 1 8 . 1 1 14 14 ILE N N 26 119.154 119.154 118.323 0.831 17614 8315 1 8 . 1 1 14 14 ILE C C 26 176.915 176.915 177.434 -0.519 17614 8316 1 8 . 1 1 14 14 ILE CA C 26 64.858 64.858 64.789 0.069 17614 8317 1 8 . 1 1 14 14 ILE CB C 26 38.090 38.090 37.114 0.976 17614 8318 1 8 . 1 1 14 14 ILE H H 26 7.899 7.899 7.561 0.338 17614 8319 1 8 . 1 1 15 15 ALA N N 27 121.116 121.116 122.107 -0.991 17614 8320 1 8 . 1 1 15 15 ALA C C 27 179.016 179.016 178.817 0.199 17614 8321 1 8 . 1 1 15 15 ALA CA C 27 55.367 55.367 55.019 0.348 17614 8322 1 8 . 1 1 15 15 ALA CB C 27 18.385 18.385 18.426 -0.041 17614 8323 1 8 . 1 1 15 15 ALA H H 27 7.909 7.909 7.876 0.033 17614 8324 1 8 . 1 1 16 16 ASP N N 28 116.829 116.829 118.274 -1.445 17614 8325 1 8 . 1 1 16 16 ASP C C 28 177.643 177.643 178.124 -0.481 17614 8326 1 8 . 1 1 16 16 ASP CA C 28 56.453 56.453 56.040 0.413 17614 8327 1 8 . 1 1 16 16 ASP CB C 28 41.128 41.128 41.325 -0.197 17614 8328 1 8 . 1 1 16 16 ASP H H 28 7.554 7.554 7.497 0.057 17614 8329 1 8 . 1 1 17 17 LEU N N 29 119.672 119.672 121.086 -1.414 17614 8330 1 8 . 1 1 17 17 LEU C C 29 178.628 178.628 179.239 -0.611 17614 8331 1 8 . 1 1 17 17 LEU CA C 29 57.144 57.144 58.211 -1.067 17614 8332 1 8 . 1 1 17 17 LEU CB C 29 43.146 43.146 42.391 0.755 17614 8333 1 8 . 1 1 17 17 LEU H H 29 7.732 7.732 7.364 0.368 17614 8334 1 8 . 1 1 18 18 ILE N N 30 113.629 113.629 113.098 0.531 17614 8335 1 8 . 1 1 18 18 ILE C C 30 176.456 176.456 176.939 -0.483 17614 8336 1 8 . 1 1 18 18 ILE CA C 30 60.539 60.539 63.939 -3.400 17614 8337 1 8 . 1 1 18 18 ILE CB C 30 38.506 38.506 37.560 0.946 17614 8338 1 8 . 1 1 18 18 ILE H H 30 7.977 7.977 7.598 0.379 17614 8339 1 8 . 1 1 19 19 THR N N 31 113.314 113.314 115.991 -2.677 17614 8340 1 8 . 1 1 19 19 THR C C 31 174.045 174.045 175.211 -1.166 17614 8341 1 8 . 1 1 19 19 THR CA C 31 62.495 62.495 64.406 -1.911 17614 8342 1 8 . 1 1 19 19 THR CB C 31 69.898 69.898 70.108 -0.210 17614 8343 1 8 . 1 1 19 19 THR H H 31 7.738 7.738 7.447 0.291 17614 8344 1 8 . 1 1 20 20 PHE N N 32 123.409 123.409 123.964 -0.555 17614 8345 1 8 . 1 1 20 20 PHE CA C 32 56.349 56.349 62.113 -5.764 17614 8346 1 8 . 1 1 20 20 PHE CB C 32 39.148 39.148 37.279 1.869 17614 8347 1 8 . 1 1 20 20 PHE H H 32 7.609 7.609 8.428 -0.819 17614 8348 1 8 . 1 1 21 21 PRO C C 33 177.831 177.831 177.436 0.395 17614 8349 1 8 . 1 1 21 21 PRO CA C 33 62.656 62.656 64.893 -2.237 17614 8350 1 8 . 1 1 21 21 PRO CB C 33 34.762 34.762 31.027 3.735 17614 8351 1 8 . 1 1 22 22 LEU N N 34 124.503 124.503 117.298 7.205 17614 8352 1 8 . 1 1 22 22 LEU C C 34 176.298 176.298 178.478 -2.180 17614 8353 1 8 . 1 1 22 22 LEU CA C 34 55.545 55.545 57.273 -1.728 17614 8354 1 8 . 1 1 22 22 LEU CB C 34 43.287 43.287 41.425 1.862 17614 8355 1 8 . 1 1 22 22 LEU H H 34 8.659 8.659 7.154 1.505 17614 8356 1 8 . 1 1 23 23 ASP N N 35 121.663 121.663 119.222 2.441 17614 8357 1 8 . 1 1 23 23 ASP C C 35 177.152 177.152 178.304 -1.152 17614 8358 1 8 . 1 1 23 23 ASP CA C 35 54.326 54.326 57.527 -3.201 17614 8359 1 8 . 1 1 23 23 ASP CB C 35 41.154 41.154 40.141 1.013 17614 8360 1 8 . 1 1 23 23 ASP H H 35 8.236 8.236 7.623 0.613 17614 8361 1 8 . 1 1 24 24 THR N N 36 115.977 115.977 115.590 0.387 17614 8362 1 8 . 1 1 24 24 THR C C 36 177.088 177.088 176.037 1.051 17614 8363 1 8 . 1 1 24 24 THR CA C 36 64.868 64.868 66.211 -1.343 17614 8364 1 8 . 1 1 24 24 THR CB C 36 69.053 69.053 68.798 0.255 17614 8365 1 8 . 1 1 24 24 THR H H 36 8.127 8.127 7.789 0.338 17614 8366 1 8 . 1 1 25 25 ALA N N 37 125.063 125.063 122.598 2.465 17614 8367 1 8 . 1 1 25 25 ALA C C 37 179.143 179.143 178.998 0.145 17614 8368 1 8 . 1 1 25 25 ALA CA C 37 55.234 55.234 54.960 0.274 17614 8369 1 8 . 1 1 25 25 ALA CB C 37 18.735 18.735 18.386 0.349 17614 8370 1 8 . 1 1 25 25 ALA H H 37 8.042 8.042 7.732 0.310 17614 8371 1 8 . 1 1 26 26 LYS N N 38 117.827 117.827 117.443 0.384 17614 8372 1 8 . 1 1 26 26 LYS C C 38 178.239 178.239 178.323 -0.084 17614 8373 1 8 . 1 1 26 26 LYS CA C 38 58.861 58.861 58.972 -0.111 17614 8374 1 8 . 1 1 26 26 LYS CB C 38 32.724 32.724 31.862 0.862 17614 8375 1 8 . 1 1 26 26 LYS H H 38 7.759 7.759 7.465 0.294 17614 8376 1 8 . 1 1 27 27 VAL N N 39 118.955 118.955 117.064 1.891 17614 8377 1 8 . 1 1 27 27 VAL C C 39 177.892 177.892 178.249 -0.357 17614 8378 1 8 . 1 1 27 27 VAL CA C 39 65.478 65.478 64.849 0.629 17614 8379 1 8 . 1 1 27 27 VAL CB C 39 34.675 34.675 31.470 3.205 17614 8380 1 8 . 1 1 27 27 VAL H H 39 7.554 7.554 7.456 0.098 17614 8381 1 8 . 1 1 28 28 ARG N N 40 119.922 119.922 120.334 -0.412 17614 8382 1 8 . 1 1 28 28 ARG C C 40 178.391 178.391 179.006 -0.615 17614 8383 1 8 . 1 1 28 28 ARG CA C 40 59.648 59.648 58.110 1.538 17614 8384 1 8 . 1 1 28 28 ARG CB C 40 29.933 29.933 30.019 -0.086 17614 8385 1 8 . 1 1 28 28 ARG H H 40 7.794 7.794 7.395 0.399 17614 8386 1 8 . 1 1 29 29 LEU N N 41 118.720 118.720 121.799 -3.079 17614 8387 1 8 . 1 1 29 29 LEU CA C 41 54.749 54.749 55.585 -0.836 17614 8388 1 8 . 1 1 29 29 LEU CB C 41 40.429 40.429 40.121 0.308 17614 8389 1 8 . 1 1 29 29 LEU H H 41 7.534 7.534 7.800 -0.266 17614 8390 1 8 . 1 1 37 37 GLY C C 49 174.779 174.779 175.102 -0.323 17614 8391 1 8 . 1 1 38 38 LEU N N 50 123.029 123.029 121.695 1.334 17614 8392 1 8 . 1 1 38 38 LEU C C 50 178.482 178.482 178.315 0.167 17614 8393 1 8 . 1 1 38 38 LEU CA C 50 56.765 56.765 56.692 0.073 17614 8394 1 8 . 1 1 38 38 LEU CB C 50 41.673 41.673 41.360 0.313 17614 8395 1 8 . 1 1 38 38 LEU H H 50 8.113 8.113 7.968 0.145 17614 8396 1 8 . 1 1 39 39 VAL N N 51 118.714 118.714 119.320 -0.606 17614 8397 1 8 . 1 1 39 39 VAL C C 51 178.032 178.032 176.928 1.104 17614 8398 1 8 . 1 1 39 39 VAL CA C 51 66.037 66.037 65.801 0.236 17614 8399 1 8 . 1 1 39 39 VAL CB C 51 30.763 30.763 31.424 -0.661 17614 8400 1 8 . 1 1 39 39 VAL H H 51 7.974 7.974 8.038 -0.064 17614 8401 1 8 . 1 1 40 40 ARG N N 52 121.569 121.569 116.940 4.629 17614 8402 1 8 . 1 1 40 40 ARG CA C 52 59.167 59.167 58.322 0.845 17614 8403 1 8 . 1 1 40 40 ARG CB C 52 29.437 29.437 29.519 -0.082 17614 8404 1 8 . 1 1 40 40 ARG H H 52 8.231 8.231 8.037 0.194 17614 8405 1 8 . 1 1 41 41 THR C C 53 175.108 175.108 174.862 0.246 17614 8406 1 8 . 1 1 41 41 THR H H 53 7.948 7.948 7.549 0.399 17614 8407 1 8 . 1 1 42 42 ALA N N 54 121.823 121.823 122.877 -1.054 17614 8408 1 8 . 1 1 42 42 ALA C C 54 174.922 174.922 176.188 -1.266 17614 8409 1 8 . 1 1 42 42 ALA CA C 54 50.101 50.101 51.968 -1.867 17614 8410 1 8 . 1 1 42 42 ALA CB C 54 18.950 18.950 19.975 -1.025 17614 8411 1 8 . 1 1 42 42 ALA H H 54 7.792 7.792 7.460 0.332 17614 8412 1 8 . 1 1 43 43 ALA N N 55 113.986 113.986 117.098 -3.112 17614 8413 1 8 . 1 1 43 43 ALA C C 55 178.007 178.007 176.739 1.268 17614 8414 1 8 . 1 1 43 43 ALA CA C 55 53.458 53.458 52.263 1.195 17614 8415 1 8 . 1 1 43 43 ALA CB C 55 18.809 18.809 19.447 -0.638 17614 8416 1 8 . 1 1 43 43 ALA H H 55 7.333 7.333 8.230 -0.897 17614 8417 1 8 . 1 1 44 44 SER N N 56 125.425 125.425 114.684 10.741 17614 8418 1 8 . 1 1 44 44 SER C C 56 174.899 174.899 174.374 0.525 17614 8419 1 8 . 1 1 44 44 SER CA C 56 59.520 59.520 57.365 2.155 17614 8420 1 8 . 1 1 44 44 SER CB C 56 64.051 64.051 63.714 0.337 17614 8421 1 8 . 1 1 44 44 SER H H 56 7.786 7.786 7.766 0.020 17614 8422 1 8 . 1 1 45 45 ALA N N 57 118.183 118.183 122.145 -3.962 17614 8423 1 8 . 1 1 45 45 ALA CA C 57 53.783 53.783 52.452 1.331 17614 8424 1 8 . 1 1 45 45 ALA CB C 57 17.599 17.599 17.772 -0.173 17614 8425 1 8 . 1 1 45 45 ALA H H 57 8.018 8.018 8.119 -0.101 17614 8426 1 8 . 1 1 47 47 TYR C C 59 177.662 177.662 177.213 0.449 17614 8427 1 8 . 1 1 48 48 ARG N N 60 122.798 122.798 122.059 0.739 17614 8428 1 8 . 1 1 48 48 ARG C C 60 177.956 177.956 176.456 1.500 17614 8429 1 8 . 1 1 48 48 ARG CA C 60 58.711 58.711 57.143 1.568 17614 8430 1 8 . 1 1 48 48 ARG CB C 60 30.659 30.659 30.134 0.524 17614 8431 1 8 . 1 1 48 48 ARG H H 60 8.311 8.311 8.710 -0.399 17614 8432 1 8 . 1 1 49 49 GLY N N 61 109.033 109.033 107.399 1.634 17614 8433 1 8 . 1 1 49 49 GLY C C 61 176.064 176.064 175.309 0.755 17614 8434 1 8 . 1 1 49 49 GLY CA C 61 46.592 46.592 44.972 1.620 17614 8435 1 8 . 1 1 49 49 GLY H H 61 8.182 8.182 7.928 0.254 17614 8436 1 8 . 1 1 50 50 VAL N N 62 123.218 123.218 125.669 -2.451 17614 8437 1 8 . 1 1 50 50 VAL C C 62 177.540 177.540 177.213 0.327 17614 8438 1 8 . 1 1 50 50 VAL CA C 62 66.277 66.277 64.839 1.438 17614 8439 1 8 . 1 1 50 50 VAL CB C 62 32.355 32.355 32.303 0.052 17614 8440 1 8 . 1 1 50 50 VAL H H 62 8.105 8.105 8.458 -0.353 17614 8441 1 8 . 1 1 51 51 LEU N N 63 120.295 120.295 118.697 1.598 17614 8442 1 8 . 1 1 51 51 LEU C C 63 178.628 178.628 179.337 -0.709 17614 8443 1 8 . 1 1 51 51 LEU CA C 63 58.366 58.366 57.723 0.643 17614 8444 1 8 . 1 1 51 51 LEU CB C 63 41.675 41.675 40.409 1.266 17614 8445 1 8 . 1 1 51 51 LEU H H 63 8.182 8.182 8.348 -0.166 17614 8446 1 8 . 1 1 52 52 GLY N N 64 106.013 106.013 106.288 -0.275 17614 8447 1 8 . 1 1 52 52 GLY C C 64 176.531 176.531 176.135 0.396 17614 8448 1 8 . 1 1 52 52 GLY CA C 64 47.765 47.765 47.238 0.527 17614 8449 1 8 . 1 1 52 52 GLY H H 64 8.102 8.102 7.723 0.379 17614 8450 1 8 . 1 1 53 53 THR N N 65 120.842 120.842 117.460 3.382 17614 8451 1 8 . 1 1 53 53 THR C C 65 176.453 176.453 176.450 0.003 17614 8452 1 8 . 1 1 53 53 THR CA C 65 67.140 67.140 65.166 1.974 17614 8453 1 8 . 1 1 53 53 THR CB C 65 69.161 69.161 68.860 0.301 17614 8454 1 8 . 1 1 53 53 THR H H 65 7.854 7.854 7.432 0.422 17614 8455 1 8 . 1 1 54 54 ILE N N 66 122.676 122.676 120.779 1.897 17614 8456 1 8 . 1 1 54 54 ILE C C 66 177.307 177.307 177.859 -0.552 17614 8457 1 8 . 1 1 54 54 ILE CA C 66 65.832 65.832 63.668 2.164 17614 8458 1 8 . 1 1 54 54 ILE CB C 66 38.090 38.090 36.703 1.387 17614 8459 1 8 . 1 1 54 54 ILE H H 66 8.018 8.018 7.537 0.481 17614 8460 1 8 . 1 1 55 55 LEU N N 67 119.838 119.838 118.812 1.026 17614 8461 1 8 . 1 1 55 55 LEU C C 67 178.706 178.706 179.132 -0.426 17614 8462 1 8 . 1 1 55 55 LEU CA C 67 58.491 58.491 58.540 -0.049 17614 8463 1 8 . 1 1 55 55 LEU CB C 67 41.387 41.387 40.796 0.591 17614 8464 1 8 . 1 1 55 55 LEU H H 67 8.291 8.291 7.566 0.725 17614 8465 1 8 . 1 1 56 56 THR N N 68 115.362 115.362 115.507 -0.145 17614 8466 1 8 . 1 1 56 56 THR C C 68 176.764 176.764 176.504 0.260 17614 8467 1 8 . 1 1 56 56 THR CA C 68 67.040 67.040 66.510 0.530 17614 8468 1 8 . 1 1 56 56 THR CB C 68 69.403 69.403 68.905 0.498 17614 8469 1 8 . 1 1 56 56 THR H H 68 7.963 7.963 7.265 0.698 17614 8470 1 8 . 1 1 57 57 MET N N 69 122.960 122.960 119.268 3.692 17614 8471 1 8 . 1 1 57 57 MET C C 69 177.153 177.153 178.548 -1.395 17614 8472 1 8 . 1 1 57 57 MET CA C 69 59.710 59.710 58.865 0.845 17614 8473 1 8 . 1 1 57 57 MET CB C 69 33.111 33.111 32.137 0.974 17614 8474 1 8 . 1 1 57 57 MET H H 69 7.977 7.977 7.686 0.291 17614 8475 1 8 . 1 1 58 58 VAL N N 70 119.558 119.558 120.218 -0.660 17614 8476 1 8 . 1 1 58 58 VAL C C 70 176.841 176.841 176.589 0.252 17614 8477 1 8 . 1 1 58 58 VAL CA C 70 66.277 66.277 65.119 1.158 17614 8478 1 8 . 1 1 58 58 VAL CB C 70 31.362 31.362 31.629 -0.267 17614 8479 1 8 . 1 1 58 58 VAL H H 70 7.751 7.751 7.597 0.154 17614 8480 1 8 . 1 1 59 59 ARG N N 71 118.002 118.002 117.549 0.453 17614 8481 1 8 . 1 1 59 59 ARG C C 71 177.152 177.152 178.404 -1.252 17614 8482 1 8 . 1 1 59 59 ARG CA C 71 58.761 58.761 57.474 1.287 17614 8483 1 8 . 1 1 59 59 ARG CB C 71 30.656 30.656 30.005 0.651 17614 8484 1 8 . 1 1 59 59 ARG H H 71 7.827 7.827 7.634 0.193 17614 8485 1 8 . 1 1 60 60 THR N N 72 111.410 111.410 113.618 -2.208 17614 8486 1 8 . 1 1 60 60 THR C C 72 175.288 175.288 175.896 -0.608 17614 8487 1 8 . 1 1 60 60 THR CA C 72 64.194 64.194 65.133 -0.939 17614 8488 1 8 . 1 1 60 60 THR CB C 72 70.312 70.312 69.031 1.280 17614 8489 1 8 . 1 1 60 60 THR H H 72 7.745 7.745 7.683 0.062 17614 8490 1 8 . 1 1 61 61 GLU N N 73 120.577 120.577 119.957 0.620 17614 8491 1 8 . 1 1 61 61 GLU C C 73 177.696 177.696 176.603 1.093 17614 8492 1 8 . 1 1 61 61 GLU CA C 73 57.363 57.363 56.556 0.807 17614 8493 1 8 . 1 1 61 61 GLU CB C 73 30.927 30.927 31.682 -0.755 17614 8494 1 8 . 1 1 61 61 GLU H H 73 8.263 8.263 8.005 0.258 17614 8495 1 8 . 1 1 62 62 GLY N N 74 108.209 108.209 107.115 1.094 17614 8496 1 8 . 1 1 62 62 GLY CA C 74 45.593 45.593 44.921 0.672 17614 8497 1 8 . 1 1 62 62 GLY H H 74 7.841 7.841 7.464 0.377 17614 8498 1 8 . 1 1 63 63 PRO C C 75 177.152 177.152 178.437 -1.285 17614 8499 1 8 . 1 1 63 63 PRO CA C 75 65.652 65.652 64.660 0.992 17614 8500 1 8 . 1 1 63 63 PRO CB C 75 32.294 32.294 32.176 0.118 17614 8501 1 8 . 1 1 64 64 ARG N N 76 118.553 118.553 117.222 1.331 17614 8502 1 8 . 1 1 64 64 ARG C C 76 177.696 177.696 177.867 -0.171 17614 8503 1 8 . 1 1 64 64 ARG CA C 76 59.785 59.785 58.307 1.478 17614 8504 1 8 . 1 1 64 64 ARG CB C 76 29.671 29.671 29.492 0.179 17614 8505 1 8 . 1 1 64 64 ARG H H 76 8.427 8.427 8.624 -0.197 17614 8506 1 8 . 1 1 65 65 SER N N 77 115.323 115.323 113.830 1.493 17614 8507 1 8 . 1 1 65 65 SER C C 77 177.230 177.230 175.440 1.790 17614 8508 1 8 . 1 1 65 65 SER CA C 77 61.318 61.318 60.344 0.974 17614 8509 1 8 . 1 1 65 65 SER CB C 77 63.281 63.281 63.527 -0.246 17614 8510 1 8 . 1 1 65 65 SER H H 77 7.963 7.963 8.164 -0.201 17614 8511 1 8 . 1 1 66 66 LEU N N 78 122.598 122.598 119.921 2.677 17614 8512 1 8 . 1 1 66 66 LEU C C 78 177.696 177.696 177.717 -0.021 17614 8513 1 8 . 1 1 66 66 LEU CA C 78 57.792 57.792 56.554 1.238 17614 8514 1 8 . 1 1 66 66 LEU CB C 78 42.202 42.202 42.132 0.070 17614 8515 1 8 . 1 1 66 66 LEU H H 78 7.595 7.595 7.547 0.048 17614 8516 1 8 . 1 1 67 67 TYR N N 79 119.276 119.276 113.186 6.090 17614 8517 1 8 . 1 1 67 67 TYR C C 79 176.142 176.142 175.615 0.527 17614 8518 1 8 . 1 1 67 67 TYR CA C 79 60.792 60.792 59.026 1.766 17614 8519 1 8 . 1 1 67 67 TYR CB C 79 38.687 38.687 38.744 -0.057 17614 8520 1 8 . 1 1 67 67 TYR H H 79 7.868 7.868 7.417 0.451 17614 8521 1 8 . 1 1 68 68 ASN N N 80 117.249 117.249 118.472 -1.223 17614 8522 1 8 . 1 1 68 68 ASN C C 80 178.472 178.472 175.461 3.011 17614 8523 1 8 . 1 1 68 68 ASN CA C 80 53.024 53.024 53.478 -0.454 17614 8524 1 8 . 1 1 68 68 ASN CB C 80 37.946 37.946 39.328 -1.382 17614 8525 1 8 . 1 1 68 68 ASN H H 80 8.374 8.374 7.382 0.992 17614 8526 1 8 . 1 1 69 69 GLY N N 81 108.575 108.575 111.881 -3.306 17614 8527 1 8 . 1 1 69 69 GLY C C 81 175.521 175.521 175.387 0.134 17614 8528 1 8 . 1 1 69 69 GLY CA C 81 46.266 46.266 45.589 0.677 17614 8529 1 8 . 1 1 69 69 GLY H H 81 8.086 8.086 8.701 -0.615 17614 8530 1 8 . 1 1 70 70 LEU N N 82 124.326 124.326 121.860 2.466 17614 8531 1 8 . 1 1 70 70 LEU C C 82 178.239 178.239 177.884 0.355 17614 8532 1 8 . 1 1 70 70 LEU CA C 82 58.217 58.217 57.494 0.723 17614 8533 1 8 . 1 1 70 70 LEU CB C 82 42.351 42.351 42.012 0.339 17614 8534 1 8 . 1 1 70 70 LEU H H 82 7.991 7.991 7.533 0.458 17614 8535 1 8 . 1 1 71 71 VAL N N 83 117.727 117.727 117.505 0.222 17614 8536 1 8 . 1 1 71 71 VAL C C 83 177.851 177.851 176.953 0.898 17614 8537 1 8 . 1 1 71 71 VAL CA C 83 64.113 64.113 64.766 -0.653 17614 8538 1 8 . 1 1 71 71 VAL CB C 83 31.924 31.924 31.143 0.780 17614 8539 1 8 . 1 1 71 71 VAL H H 83 8.004 8.004 8.255 -0.251 17614 8540 1 8 . 1 1 72 72 ALA N N 84 121.414 121.414 121.850 -0.436 17614 8541 1 8 . 1 1 72 72 ALA C C 84 180.570 180.570 179.690 0.880 17614 8542 1 8 . 1 1 72 72 ALA CA C 84 55.031 55.031 54.642 0.389 17614 8543 1 8 . 1 1 72 72 ALA CB C 84 18.286 18.286 18.408 -0.122 17614 8544 1 8 . 1 1 72 72 ALA H H 84 7.677 7.677 7.607 0.070 17614 8545 1 8 . 1 1 73 73 GLY N N 85 106.471 106.471 107.630 -1.159 17614 8546 1 8 . 1 1 73 73 GLY C C 85 175.521 175.521 176.068 -0.547 17614 8547 1 8 . 1 1 73 73 GLY CA C 85 47.191 47.191 46.734 0.457 17614 8548 1 8 . 1 1 73 73 GLY H H 85 7.963 7.963 7.684 0.279 17614 8549 1 8 . 1 1 74 74 LEU N N 86 122.326 122.326 122.114 0.212 17614 8550 1 8 . 1 1 74 74 LEU C C 86 178.239 178.239 178.654 -0.415 17614 8551 1 8 . 1 1 74 74 LEU CA C 86 57.493 57.493 57.719 -0.226 17614 8552 1 8 . 1 1 74 74 LEU CB C 86 42.202 42.202 41.678 0.524 17614 8553 1 8 . 1 1 74 74 LEU H H 86 8.100 8.100 7.485 0.615 17614 8554 1 8 . 1 1 75 75 GLN N N 87 117.736 117.736 117.925 -0.189 17614 8555 1 8 . 1 1 75 75 GLN C C 87 177.340 177.340 178.036 -0.696 17614 8556 1 8 . 1 1 75 75 GLN CA C 87 57.787 57.787 59.082 -1.295 17614 8557 1 8 . 1 1 75 75 GLN CB C 87 28.942 28.942 28.521 0.420 17614 8558 1 8 . 1 1 75 75 GLN H H 87 8.004 8.004 7.803 0.201 17614 8559 1 8 . 1 1 76 76 ARG N N 88 118.107 118.107 119.507 -1.400 17614 8560 1 8 . 1 1 76 76 ARG C C 88 177.930 177.930 178.818 -0.888 17614 8561 1 8 . 1 1 76 76 ARG CA C 88 58.062 58.062 59.817 -1.755 17614 8562 1 8 . 1 1 76 76 ARG CB C 88 30.774 30.774 29.926 0.848 17614 8563 1 8 . 1 1 76 76 ARG H H 88 7.568 7.568 7.385 0.183 17614 8564 1 8 . 1 1 77 77 GLN N N 89 117.921 117.921 118.313 -0.392 17614 8565 1 8 . 1 1 77 77 GLN C C 89 177.375 177.375 178.217 -0.842 17614 8566 1 8 . 1 1 77 77 GLN CA C 89 56.838 56.838 58.118 -1.280 17614 8567 1 8 . 1 1 77 77 GLN CB C 89 29.006 29.006 28.140 0.866 17614 8568 1 8 . 1 1 77 77 GLN H H 89 7.827 7.827 7.604 0.223 17614 8569 1 8 . 1 1 78 78 MET N N 90 118.378 118.378 120.080 -1.702 17614 8570 1 8 . 1 1 78 78 MET C C 90 176.365 176.365 177.770 -1.405 17614 8571 1 8 . 1 1 78 78 MET CA C 90 56.339 56.339 58.013 -1.674 17614 8572 1 8 . 1 1 78 78 MET CB C 90 33.444 33.444 32.349 1.095 17614 8573 1 8 . 1 1 78 78 MET H H 90 7.963 7.963 8.515 -0.552 17614 8574 1 8 . 1 1 79 79 SER N N 91 115.089 115.089 115.977 -0.888 17614 8575 1 8 . 1 1 79 79 SER C C 91 175.899 175.899 176.575 -0.676 17614 8576 1 8 . 1 1 79 79 SER CA C 91 58.621 58.621 61.281 -2.660 17614 8577 1 8 . 1 1 79 79 SER CB C 91 64.337 64.337 62.228 2.109 17614 8578 1 8 . 1 1 79 79 SER H H 91 7.868 7.868 7.956 -0.088 17614 8579 1 8 . 1 1 80 80 PHE N N 92 122.852 122.852 124.021 -1.169 17614 8580 1 8 . 1 1 80 80 PHE C C 92 177.375 177.375 176.491 0.884 17614 8581 1 8 . 1 1 80 80 PHE CA C 92 59.095 59.095 61.733 -2.639 17614 8582 1 8 . 1 1 80 80 PHE CB C 92 38.937 38.937 38.998 -0.061 17614 8583 1 8 . 1 1 80 80 PHE H H 92 8.332 8.332 7.567 0.765 17614 8584 1 8 . 1 1 81 81 ALA N N 93 123.258 123.258 119.682 3.576 17614 8585 1 8 . 1 1 81 81 ALA C C 93 178.628 178.628 178.759 -0.131 17614 8586 1 8 . 1 1 81 81 ALA CA C 93 54.881 54.881 54.383 0.498 17614 8587 1 8 . 1 1 81 81 ALA CB C 93 17.902 17.902 18.064 -0.162 17614 8588 1 8 . 1 1 81 81 ALA H H 93 8.223 8.223 7.638 0.585 17614 8589 1 8 . 1 1 82 82 SER N N 94 112.886 112.886 113.995 -1.109 17614 8590 1 8 . 1 1 82 82 SER C C 94 176.831 176.831 176.994 -0.163 17614 8591 1 8 . 1 1 82 82 SER CA C 94 60.319 60.319 60.864 -0.545 17614 8592 1 8 . 1 1 82 82 SER CB C 94 63.611 63.611 63.519 0.092 17614 8593 1 8 . 1 1 82 82 SER H H 94 7.977 7.977 7.491 0.486 17614 8594 1 8 . 1 1 83 83 VAL N N 95 121.854 121.854 122.062 -0.208 17614 8595 1 8 . 1 1 83 83 VAL C C 95 176.220 176.220 176.589 -0.369 17614 8596 1 8 . 1 1 83 83 VAL CA C 95 64.629 64.629 65.787 -1.158 17614 8597 1 8 . 1 1 83 83 VAL CB C 95 31.328 31.328 31.133 0.195 17614 8598 1 8 . 1 1 83 83 VAL H H 95 7.581 7.581 8.448 -0.867 17614 8599 1 8 . 1 1 84 84 ARG N N 96 121.329 121.329 118.771 2.558 17614 8600 1 8 . 1 1 84 84 ARG C C 96 176.814 176.814 177.181 -0.367 17614 8601 1 8 . 1 1 84 84 ARG CA C 96 58.636 58.636 57.751 0.885 17614 8602 1 8 . 1 1 84 84 ARG CB C 96 30.672 30.672 29.430 1.242 17614 8603 1 8 . 1 1 84 84 ARG H H 96 7.936 7.936 7.299 0.637 17614 8604 1 8 . 1 1 85 85 ILE N N 97 119.194 119.194 118.468 0.726 17614 8605 1 8 . 1 1 85 85 ILE C C 97 177.152 177.152 176.104 1.048 17614 8606 1 8 . 1 1 85 85 ILE CA C 97 63.296 63.296 61.699 1.597 17614 8607 1 8 . 1 1 85 85 ILE CB C 97 38.757 38.757 38.361 0.397 17614 8608 1 8 . 1 1 85 85 ILE H H 97 7.802 7.802 7.507 0.295 17614 8609 1 8 . 1 1 86 86 GLY N N 98 109.857 109.857 108.022 1.835 17614 8610 1 8 . 1 1 86 86 GLY C C 98 176.064 176.064 174.818 1.246 17614 8611 1 8 . 1 1 86 86 GLY CA C 98 46.941 46.941 46.169 0.772 17614 8612 1 8 . 1 1 86 86 GLY H H 98 8.127 8.127 7.609 0.518 17614 8613 1 8 . 1 1 87 87 LEU N N 99 123.258 123.258 123.038 0.220 17614 8614 1 8 . 1 1 87 87 LEU C C 99 177.856 177.856 177.787 0.069 17614 8615 1 8 . 1 1 87 87 LEU CA C 99 58.264 58.264 57.134 1.130 17614 8616 1 8 . 1 1 87 87 LEU CB C 99 42.488 42.488 42.177 0.311 17614 8617 1 8 . 1 1 87 87 LEU H H 99 8.223 8.223 8.118 0.105 17614 8618 1 8 . 1 1 88 88 TYR N N 100 119.770 119.770 120.050 -0.280 17614 8619 1 8 . 1 1 88 88 TYR C C 100 176.997 176.997 177.176 -0.179 17614 8620 1 8 . 1 1 88 88 TYR CA C 100 61.592 61.592 62.317 -0.725 17614 8621 1 8 . 1 1 88 88 TYR CB C 100 38.809 38.809 38.416 0.392 17614 8622 1 8 . 1 1 88 88 TYR H H 100 8.207 8.207 7.968 0.239 17614 8623 1 8 . 1 1 89 89 ASP N N 101 118.460 118.460 117.765 0.695 17614 8624 1 8 . 1 1 89 89 ASP C C 101 178.939 178.939 178.621 0.318 17614 8625 1 8 . 1 1 89 89 ASP CA C 101 57.797 57.797 57.154 0.644 17614 8626 1 8 . 1 1 89 89 ASP CB C 101 40.498 40.498 40.406 0.092 17614 8627 1 8 . 1 1 89 89 ASP H H 101 8.401 8.401 8.570 -0.169 17614 8628 1 8 . 1 1 90 90 SER N N 102 116.022 116.022 116.041 -0.019 17614 8629 1 8 . 1 1 90 90 SER C C 102 176.005 176.005 176.603 -0.598 17614 8630 1 8 . 1 1 90 90 SER CA C 102 62.791 62.791 62.059 0.732 17614 8631 1 8 . 1 1 90 90 SER CB C 102 64.211 64.211 63.153 1.058 17614 8632 1 8 . 1 1 90 90 SER H H 102 7.854 7.854 7.782 0.072 17614 8633 1 8 . 1 1 91 91 VAL N N 103 120.844 120.844 121.172 -0.328 17614 8634 1 8 . 1 1 91 91 VAL C C 103 177.307 177.307 176.677 0.630 17614 8635 1 8 . 1 1 91 91 VAL CA C 103 66.510 66.510 64.571 1.939 17614 8636 1 8 . 1 1 91 91 VAL CB C 103 31.965 31.965 32.034 -0.069 17614 8637 1 8 . 1 1 91 91 VAL H H 103 7.926 7.926 7.760 0.166 17614 8638 1 8 . 1 1 92 92 LYS N N 104 120.468 120.468 119.538 0.930 17614 8639 1 8 . 1 1 92 92 LYS C C 104 178.861 178.861 178.692 0.169 17614 8640 1 8 . 1 1 92 92 LYS CA C 104 60.184 60.184 59.325 0.859 17614 8641 1 8 . 1 1 92 92 LYS CB C 104 31.979 31.979 32.155 -0.176 17614 8642 1 8 . 1 1 92 92 LYS H H 104 8.127 8.127 7.731 0.396 17614 8643 1 8 . 1 1 93 93 GLN N N 105 118.386 118.386 116.784 1.602 17614 8644 1 8 . 1 1 93 93 GLN C C 105 177.540 177.540 177.521 0.019 17614 8645 1 8 . 1 1 93 93 GLN CA C 105 58.786 58.786 57.508 1.278 17614 8646 1 8 . 1 1 93 93 GLN CB C 105 28.377 28.377 28.677 -0.300 17614 8647 1 8 . 1 1 93 93 GLN H H 105 7.841 7.841 7.739 0.102 17614 8648 1 8 . 1 1 94 94 PHE N N 106 119.471 119.471 118.108 1.363 17614 8649 1 8 . 1 1 94 94 PHE C C 106 176.531 176.531 175.682 0.849 17614 8650 1 8 . 1 1 94 94 PHE CA C 106 60.593 60.593 59.994 0.599 17614 8651 1 8 . 1 1 94 94 PHE CB C 106 39.459 39.459 39.179 0.280 17614 8652 1 8 . 1 1 94 94 PHE H H 106 7.772 7.772 7.421 0.351 17614 8653 1 8 . 1 1 95 95 TYR N N 107 118.288 118.288 114.340 3.948 17614 8654 1 8 . 1 1 95 95 TYR C C 107 176.220 176.220 176.589 -0.369 17614 8655 1 8 . 1 1 95 95 TYR CA C 107 60.543 60.543 58.809 1.734 17614 8656 1 8 . 1 1 95 95 TYR CB C 107 38.819 38.819 39.690 -0.871 17614 8657 1 8 . 1 1 95 95 TYR H H 107 8.045 8.045 7.282 0.763 17614 8658 1 8 . 1 1 96 96 THR N N 108 113.383 113.383 109.523 3.860 17614 8659 1 8 . 1 1 96 96 THR C C 108 175.288 175.288 174.838 0.450 17614 8660 1 8 . 1 1 96 96 THR CA C 108 64.094 64.094 61.958 2.136 17614 8661 1 8 . 1 1 96 96 THR CB C 108 69.986 69.986 69.381 0.605 17614 8662 1 8 . 1 1 96 96 THR H H 108 7.868 7.868 7.477 0.391 17614 8663 1 8 . 1 1 101 101 HIS C C 113 173.413 173.413 173.581 -0.168 17614 8664 1 8 . 1 1 101 101 HIS H H 113 7.968 7.968 8.781 -0.813 17614 8665 1 8 . 1 1 102 102 ALA N N 114 119.456 119.456 124.932 -5.476 17614 8666 1 8 . 1 1 102 102 ALA C C 114 177.851 177.851 175.800 2.051 17614 8667 1 8 . 1 1 102 102 ALA CA C 114 53.283 53.283 52.178 1.105 17614 8668 1 8 . 1 1 102 102 ALA CB C 114 19.362 19.362 19.101 0.261 17614 8669 1 8 . 1 1 102 102 ALA H H 114 8.433 8.433 7.782 0.651 17614 8670 1 8 . 1 1 103 103 GLY N N 115 108.484 108.484 105.859 2.625 17614 8671 1 8 . 1 1 103 103 GLY C C 115 174.822 174.822 175.245 -0.423 17614 8672 1 8 . 1 1 103 103 GLY CA C 115 45.968 45.968 45.123 0.844 17614 8673 1 8 . 1 1 103 103 GLY H H 115 8.250 8.250 8.062 0.188 17614 8674 1 8 . 1 1 104 104 ILE N N 116 121.139 121.139 121.235 -0.096 17614 8675 1 8 . 1 1 104 104 ILE C C 116 176.841 176.841 176.808 0.033 17614 8676 1 8 . 1 1 104 104 ILE CA C 116 63.160 63.160 63.966 -0.806 17614 8677 1 8 . 1 1 104 104 ILE CB C 116 38.853 38.853 38.067 0.786 17614 8678 1 8 . 1 1 104 104 ILE H H 116 8.127 8.127 8.151 -0.024 17614 8679 1 8 . 1 1 105 105 GLY N N 117 110.863 110.863 107.487 3.376 17614 8680 1 8 . 1 1 105 105 GLY C C 117 174.588 174.588 175.894 -1.306 17614 8681 1 8 . 1 1 105 105 GLY CA C 117 46.791 46.791 47.022 -0.231 17614 8682 1 8 . 1 1 105 105 GLY H H 117 8.509 8.509 8.525 -0.016 17614 8683 1 8 . 1 1 106 106 SER N N 118 116.069 116.069 117.699 -1.630 17614 8684 1 8 . 1 1 106 106 SER C C 118 175.754 175.754 176.839 -1.085 17614 8685 1 8 . 1 1 106 106 SER CA C 118 60.319 60.319 61.495 -1.175 17614 8686 1 8 . 1 1 106 106 SER CB C 118 63.864 63.864 62.795 1.069 17614 8687 1 8 . 1 1 106 106 SER H H 118 7.991 7.991 8.013 -0.022 17614 8688 1 8 . 1 1 107 107 ARG N N 119 122.134 122.134 122.558 -0.424 17614 8689 1 8 . 1 1 107 107 ARG C C 119 178.228 178.228 178.782 -0.554 17614 8690 1 8 . 1 1 107 107 ARG CA C 119 57.787 57.787 58.911 -1.124 17614 8691 1 8 . 1 1 107 107 ARG CB C 119 30.549 30.549 29.724 0.825 17614 8692 1 8 . 1 1 107 107 ARG H H 119 7.963 7.963 8.210 -0.247 17614 8693 1 8 . 1 1 108 108 LEU N N 120 120.403 120.403 121.120 -0.717 17614 8694 1 8 . 1 1 108 108 LEU C C 120 177.230 177.230 179.113 -1.883 17614 8695 1 8 . 1 1 108 108 LEU CA C 120 57.967 57.967 58.320 -0.353 17614 8696 1 8 . 1 1 108 108 LEU CB C 120 42.146 42.146 41.354 0.792 17614 8697 1 8 . 1 1 108 108 LEU H H 120 7.914 7.914 7.662 0.252 17614 8698 1 8 . 1 1 109 109 LEU N N 121 118.960 118.960 119.701 -0.741 17614 8699 1 8 . 1 1 109 109 LEU C C 121 177.152 177.152 179.152 -2.000 17614 8700 1 8 . 1 1 109 109 LEU CA C 121 55.495 55.495 58.317 -2.822 17614 8701 1 8 . 1 1 109 109 LEU CB C 121 42.238 42.238 41.249 0.989 17614 8702 1 8 . 1 1 109 109 LEU H H 121 7.718 7.718 8.301 -0.583 17614 8703 1 8 . 1 1 110 110 ALA N N 122 123.063 123.063 121.412 1.651 17614 8704 1 8 . 1 1 110 110 ALA C C 122 178.317 178.317 179.551 -1.234 17614 8705 1 8 . 1 1 110 110 ALA CA C 122 53.358 53.358 55.323 -1.965 17614 8706 1 8 . 1 1 110 110 ALA CB C 122 19.218 19.218 17.905 1.313 17614 8707 1 8 . 1 1 110 110 ALA H H 122 7.745 7.745 8.723 -0.978 17614 8708 1 8 . 1 1 111 111 GLY N N 123 107.843 107.843 106.421 1.422 17614 8709 1 8 . 1 1 111 111 GLY C C 123 176.912 176.912 176.373 0.539 17614 8710 1 8 . 1 1 111 111 GLY CA C 123 45.943 45.943 46.932 -0.989 17614 8711 1 8 . 1 1 111 111 GLY H H 123 8.113 8.113 8.775 -0.662 17614 8712 1 8 . 1 1 112 112 SER N N 124 116.105 116.105 118.496 -2.391 17614 8713 1 8 . 1 1 112 112 SER C C 124 175.574 175.574 176.751 -1.177 17614 8714 1 8 . 1 1 112 112 SER CA C 124 59.145 59.145 61.873 -2.728 17614 8715 1 8 . 1 1 112 112 SER CB C 124 64.211 64.211 63.253 0.958 17614 8716 1 8 . 1 1 112 112 SER H H 124 8.109 8.109 8.445 -0.336 17614 8717 1 8 . 1 1 113 113 THR N N 125 116.069 116.069 118.879 -2.810 17614 8718 1 8 . 1 1 113 113 THR C C 125 176.055 176.055 176.463 -0.408 17614 8719 1 8 . 1 1 113 113 THR CA C 125 66.921 66.921 66.660 0.261 17614 8720 1 8 . 1 1 113 113 THR CB C 125 69.682 69.682 68.822 0.860 17614 8721 1 8 . 1 1 113 113 THR H H 125 8.086 8.086 8.152 -0.066 17614 8722 1 8 . 1 1 114 114 THR N N 126 115.439 115.439 116.925 -1.486 17614 8723 1 8 . 1 1 114 114 THR C C 126 177.443 177.443 176.615 0.828 17614 8724 1 8 . 1 1 114 114 THR CA C 126 65.285 65.285 66.253 -0.968 17614 8725 1 8 . 1 1 114 114 THR CB C 126 68.364 68.364 68.429 -0.065 17614 8726 1 8 . 1 1 114 114 THR H H 126 7.977 7.977 8.224 -0.247 17614 8727 1 8 . 1 1 115 115 GLY N N 127 115.453 115.453 108.233 7.220 17614 8728 1 8 . 1 1 115 115 GLY C C 127 174.215 174.215 175.064 -0.849 17614 8729 1 8 . 1 1 115 115 GLY CA C 127 46.117 46.117 46.889 -0.771 17614 8730 1 8 . 1 1 115 115 GLY H H 127 8.168 8.168 7.979 0.189 17614 8731 1 8 . 1 1 116 116 ALA N N 128 123.952 123.952 125.295 -1.343 17614 8732 1 8 . 1 1 116 116 ALA C C 128 178.162 178.162 179.236 -1.074 17614 8733 1 8 . 1 1 116 116 ALA CA C 128 53.349 53.349 54.509 -1.160 17614 8734 1 8 . 1 1 116 116 ALA CB C 128 19.099 19.099 18.487 0.612 17614 8735 1 8 . 1 1 116 116 ALA H H 128 7.919 7.919 7.456 0.463 17614 8736 1 8 . 1 1 117 117 LEU N N 129 120.025 120.025 119.550 0.475 17614 8737 1 8 . 1 1 117 117 LEU C C 129 177.949 177.949 178.525 -0.576 17614 8738 1 8 . 1 1 117 117 LEU CA C 129 56.019 56.019 57.201 -1.182 17614 8739 1 8 . 1 1 117 117 LEU CB C 129 42.340 42.340 41.578 0.762 17614 8740 1 8 . 1 1 117 117 LEU H H 129 7.936 7.936 7.505 0.431 17614 8741 1 8 . 1 1 118 118 ALA N N 130 123.402 123.402 120.941 2.461 17614 8742 1 8 . 1 1 118 118 ALA C C 130 177.929 177.929 179.482 -1.553 17614 8743 1 8 . 1 1 118 118 ALA CA C 130 53.283 53.283 55.232 -1.949 17614 8744 1 8 . 1 1 118 118 ALA CB C 130 18.964 18.964 18.266 0.698 17614 8745 1 8 . 1 1 118 118 ALA H H 130 7.868 7.868 8.255 -0.387 17614 8746 1 8 . 1 1 119 119 VAL N N 131 118.111 118.111 115.916 2.195 17614 8747 1 8 . 1 1 119 119 VAL C C 131 176.025 176.025 177.770 -1.745 17614 8748 1 8 . 1 1 119 119 VAL CA C 131 63.180 63.180 64.524 -1.344 17614 8749 1 8 . 1 1 119 119 VAL CB C 131 32.898 32.898 30.974 1.924 17614 8750 1 8 . 1 1 119 119 VAL H H 131 7.636 7.636 7.888 -0.252 17614 8751 1 8 . 1 1 120 120 ALA N N 132 124.047 124.047 122.625 1.422 17614 8752 1 8 . 1 1 120 120 ALA C C 132 179.008 179.008 178.620 0.388 17614 8753 1 8 . 1 1 120 120 ALA CA C 132 53.707 53.707 54.596 -0.888 17614 8754 1 8 . 1 1 120 120 ALA CB C 132 19.150 19.150 18.559 0.591 17614 8755 1 8 . 1 1 120 120 ALA H H 132 7.911 7.911 7.647 0.264 17614 8756 1 8 . 1 1 121 121 VAL N N 133 113.349 113.349 118.789 -5.440 17614 8757 1 8 . 1 1 121 121 VAL C C 133 175.527 175.527 175.872 -0.345 17614 8758 1 8 . 1 1 121 121 VAL CA C 133 64.115 64.115 63.223 0.892 17614 8759 1 8 . 1 1 121 121 VAL CB C 133 31.832 31.832 32.939 -1.107 17614 8760 1 8 . 1 1 121 121 VAL H H 133 7.094 7.094 7.497 -0.403 17614 8761 1 8 . 1 1 122 122 ALA N N 134 123.224 123.224 121.197 2.027 17614 8762 1 8 . 1 1 122 122 ALA CA C 134 55.493 55.493 51.203 4.290 17614 8763 1 8 . 1 1 122 122 ALA H H 134 7.586 7.586 7.515 0.071 17614 8764 1 8 . 1 1 124 124 PRO C C 136 177.074 177.074 179.065 -1.991 17614 8765 1 8 . 1 1 125 125 THR N N 137 113.281 113.281 110.298 2.983 17614 8766 1 8 . 1 1 125 125 THR C C 137 174.485 174.485 176.312 -1.827 17614 8767 1 8 . 1 1 125 125 THR CA C 137 64.496 64.496 66.048 -1.552 17614 8768 1 8 . 1 1 125 125 THR CB C 137 69.997 69.997 68.371 1.626 17614 8769 1 8 . 1 1 125 125 THR H H 137 7.963 7.963 8.204 -0.241 17614 8770 1 8 . 1 1 126 126 ASP N N 138 122.770 122.770 121.105 1.665 17614 8771 1 8 . 1 1 126 126 ASP C C 138 178.458 178.458 178.508 -0.050 17614 8772 1 8 . 1 1 126 126 ASP CA C 138 56.776 56.776 57.305 -0.529 17614 8773 1 8 . 1 1 126 126 ASP CB C 138 41.023 41.023 40.287 0.736 17614 8774 1 8 . 1 1 126 126 ASP H H 138 8.094 8.094 7.544 0.550 17614 8775 1 8 . 1 1 127 127 VAL N N 139 119.931 119.931 118.900 1.031 17614 8776 1 8 . 1 1 127 127 VAL C C 139 177.502 177.502 178.368 -0.866 17614 8777 1 8 . 1 1 127 127 VAL CA C 139 66.455 66.455 66.183 0.272 17614 8778 1 8 . 1 1 127 127 VAL CB C 139 32.804 32.804 31.511 1.294 17614 8779 1 8 . 1 1 127 127 VAL H H 139 7.753 7.753 7.993 -0.240 17614 8780 1 8 . 1 1 128 128 VAL N N 140 120.539 120.539 116.893 3.646 17614 8781 1 8 . 1 1 128 128 VAL C C 140 176.232 176.232 177.862 -1.630 17614 8782 1 8 . 1 1 128 128 VAL CA C 140 66.770 66.770 66.449 0.321 17614 8783 1 8 . 1 1 128 128 VAL CB C 140 32.086 32.086 31.015 1.071 17614 8784 1 8 . 1 1 128 128 VAL H H 140 8.295 8.295 7.946 0.349 17614 8785 1 8 . 1 1 129 129 LYS N N 141 120.122 120.122 119.693 0.429 17614 8786 1 8 . 1 1 129 129 LYS C C 141 176.120 176.120 179.108 -2.988 17614 8787 1 8 . 1 1 129 129 LYS CA C 141 55.991 55.991 59.301 -3.310 17614 8788 1 8 . 1 1 129 129 LYS CB C 141 31.712 31.712 32.048 -0.336 17614 8789 1 8 . 1 1 129 129 LYS H H 141 7.698 7.698 7.624 0.074 17614 8790 1 8 . 1 1 130 130 VAL N N 142 120.104 120.104 116.740 3.364 17614 8791 1 8 . 1 1 130 130 VAL CA C 142 63.230 63.230 65.746 -2.516 17614 8792 1 8 . 1 1 130 130 VAL H H 142 7.772 7.772 7.395 0.377 17614 8793 1 8 . 1 1 131 131 ARG C C 143 178.401 178.401 178.859 -0.458 17614 8794 1 8 . 1 1 131 131 ARG H H 143 7.999 7.999 7.440 0.559 17614 8795 1 8 . 1 1 132 132 PHE N N 144 120.445 120.445 120.430 0.015 17614 8796 1 8 . 1 1 132 132 PHE C C 144 177.856 177.856 176.268 1.588 17614 8797 1 8 . 1 1 132 132 PHE CA C 144 61.438 61.438 60.912 0.526 17614 8798 1 8 . 1 1 132 132 PHE H H 144 8.395 8.395 8.453 -0.058 17614 8799 1 8 . 1 1 133 133 GLN N N 145 124.180 124.180 118.263 5.917 17614 8800 1 8 . 1 1 133 133 GLN C C 145 174.844 174.844 177.241 -2.397 17614 8801 1 8 . 1 1 133 133 GLN CA C 145 56.414 56.414 58.109 -1.695 17614 8802 1 8 . 1 1 133 133 GLN CB C 145 30.721 30.721 29.283 1.438 17614 8803 1 8 . 1 1 133 133 GLN H H 145 8.094 8.094 7.846 0.248 17614 8804 1 8 . 1 1 134 134 ALA N N 146 120.452 120.452 120.716 -0.264 17614 8805 1 8 . 1 1 134 134 ALA C C 146 177.929 177.929 178.358 -0.429 17614 8806 1 8 . 1 1 134 134 ALA CA C 146 53.483 53.483 53.353 0.130 17614 8807 1 8 . 1 1 134 134 ALA CB C 146 18.431 18.431 18.673 -0.242 17614 8808 1 8 . 1 1 134 134 ALA H H 146 7.939 7.939 7.332 0.607 17614 8809 1 8 . 1 1 135 135 GLN N N 147 119.388 119.388 118.916 0.472 17614 8810 1 8 . 1 1 135 135 GLN C C 147 176.029 176.029 175.280 0.749 17614 8811 1 8 . 1 1 135 135 GLN CA C 147 56.339 56.339 55.923 0.416 17614 8812 1 8 . 1 1 135 135 GLN CB C 147 29.444 29.444 28.074 1.370 17614 8813 1 8 . 1 1 135 135 GLN H H 147 8.072 8.072 7.429 0.643 17614 8814 1 8 . 1 1 136 136 ALA N N 148 125.199 125.199 128.950 -3.751 17614 8815 1 8 . 1 1 136 136 ALA C C 148 177.766 177.766 178.063 -0.297 17614 8816 1 8 . 1 1 136 136 ALA CA C 148 53.108 53.108 52.624 0.484 17614 8817 1 8 . 1 1 136 136 ALA CB C 148 19.151 19.151 19.792 -0.641 17614 8818 1 8 . 1 1 136 136 ALA H H 148 8.055 8.055 8.107 -0.052 17614 8819 1 8 . 1 1 137 137 ARG N N 149 120.208 120.208 119.986 0.222 17614 8820 1 8 . 1 1 137 137 ARG CA C 149 56.414 56.414 55.313 1.101 17614 8821 1 8 . 1 1 137 137 ARG CB C 149 30.749 30.749 30.642 0.107 17614 8822 1 8 . 1 1 137 137 ARG H H 149 8.018 8.018 8.150 -0.132 17614 8823 1 8 . 1 1 147 147 THR C C 159 175.928 175.928 176.645 -0.717 17614 8824 1 8 . 1 1 148 148 VAL N N 160 118.321 118.321 119.479 -1.158 17614 8825 1 8 . 1 1 148 148 VAL C C 160 177.749 177.749 177.851 -0.102 17614 8826 1 8 . 1 1 148 148 VAL CA C 160 64.126 64.126 65.919 -1.793 17614 8827 1 8 . 1 1 148 148 VAL CB C 160 31.343 31.343 30.709 0.634 17614 8828 1 8 . 1 1 148 148 VAL H H 160 8.073 8.073 8.068 0.005 17614 8829 1 8 . 1 1 149 149 GLU N N 161 122.379 122.379 120.826 1.553 17614 8830 1 8 . 1 1 149 149 GLU C C 161 178.783 178.783 178.792 -0.009 17614 8831 1 8 . 1 1 149 149 GLU CA C 161 59.550 59.550 59.596 -0.046 17614 8832 1 8 . 1 1 149 149 GLU CB C 161 29.597 29.597 29.277 0.320 17614 8833 1 8 . 1 1 149 149 GLU H H 161 8.204 8.204 8.630 -0.426 17614 8834 1 8 . 1 1 150 150 ALA N N 162 122.845 122.845 123.893 -1.048 17614 8835 1 8 . 1 1 150 150 ALA C C 162 179.948 179.948 179.402 0.546 17614 8836 1 8 . 1 1 150 150 ALA CA C 162 55.181 55.181 55.067 0.114 17614 8837 1 8 . 1 1 150 150 ALA CB C 162 18.154 18.154 18.759 -0.605 17614 8838 1 8 . 1 1 150 150 ALA H H 162 7.786 7.786 8.655 -0.869 17614 8839 1 8 . 1 1 151 151 TYR N N 163 118.902 118.902 119.639 -0.737 17614 8840 1 8 . 1 1 151 151 TYR C C 163 177.273 177.273 177.932 -0.659 17614 8841 1 8 . 1 1 151 151 TYR CA C 163 61.068 61.068 61.944 -0.876 17614 8842 1 8 . 1 1 151 151 TYR CB C 163 37.898 37.898 38.785 -0.887 17614 8843 1 8 . 1 1 151 151 TYR H H 163 7.922 7.922 8.108 -0.186 17614 8844 1 8 . 1 1 152 152 LYS N N 164 119.939 119.939 117.731 2.208 17614 8845 1 8 . 1 1 152 152 LYS C C 164 178.239 178.239 179.323 -1.084 17614 8846 1 8 . 1 1 152 152 LYS CA C 164 60.309 60.309 59.195 1.114 17614 8847 1 8 . 1 1 152 152 LYS CB C 164 32.504 32.504 32.332 0.172 17614 8848 1 8 . 1 1 152 152 LYS H H 164 8.223 8.223 7.704 0.519 17614 8849 1 8 . 1 1 153 153 THR N N 165 115.262 115.262 113.274 1.988 17614 8850 1 8 . 1 1 153 153 THR C C 165 175.676 175.676 176.629 -0.953 17614 8851 1 8 . 1 1 153 153 THR CA C 165 66.516 66.516 65.920 0.596 17614 8852 1 8 . 1 1 153 153 THR CB C 165 69.367 69.367 68.687 0.680 17614 8853 1 8 . 1 1 153 153 THR H H 165 7.745 7.745 8.136 -0.391 17614 8854 1 8 . 1 1 154 154 ILE N N 166 121.571 121.571 118.534 3.037 17614 8855 1 8 . 1 1 154 154 ILE C C 166 177.307 177.307 177.384 -0.077 17614 8856 1 8 . 1 1 154 154 ILE CA C 166 64.634 64.634 64.192 0.442 17614 8857 1 8 . 1 1 154 154 ILE CB C 166 38.896 38.896 36.443 2.453 17614 8858 1 8 . 1 1 154 154 ILE H H 166 7.540 7.540 7.332 0.208 17614 8859 1 8 . 1 1 155 155 ALA N N 167 121.983 121.983 123.248 -1.265 17614 8860 1 8 . 1 1 155 155 ALA C C 167 178.395 178.395 179.865 -1.470 17614 8861 1 8 . 1 1 155 155 ALA CA C 167 54.656 54.656 54.626 0.030 17614 8862 1 8 . 1 1 155 155 ALA CB C 167 18.486 18.486 18.002 0.484 17614 8863 1 8 . 1 1 155 155 ALA H H 167 8.059 8.059 7.654 0.405 17614 8864 1 8 . 1 1 156 156 ARG N N 168 116.369 116.369 119.053 -2.684 17614 8865 1 8 . 1 1 156 156 ARG C C 168 177.307 177.307 178.393 -1.086 17614 8866 1 8 . 1 1 156 156 ARG CA C 168 58.486 58.486 58.660 -0.174 17614 8867 1 8 . 1 1 156 156 ARG CB C 168 30.930 30.930 30.015 0.915 17614 8868 1 8 . 1 1 156 156 ARG H H 168 7.690 7.690 7.749 -0.059 17614 8869 1 8 . 1 1 157 157 GLU N N 169 118.667 118.667 117.366 1.301 17614 8870 1 8 . 1 1 157 157 GLU C C 169 177.696 177.696 178.149 -0.453 17614 8871 1 8 . 1 1 157 157 GLU CA C 169 58.212 58.212 58.433 -0.221 17614 8872 1 8 . 1 1 157 157 GLU CB C 169 30.357 30.357 30.113 0.244 17614 8873 1 8 . 1 1 157 157 GLU H H 169 8.045 8.045 7.900 0.145 17614 8874 1 8 . 1 1 158 158 GLU N N 170 118.202 118.202 117.503 0.699 17614 8875 1 8 . 1 1 158 158 GLU C C 170 177.878 177.878 177.525 0.353 17614 8876 1 8 . 1 1 158 158 GLU CA C 170 57.363 57.363 56.946 0.417 17614 8877 1 8 . 1 1 158 158 GLU CB C 170 31.277 31.277 31.015 0.262 17614 8878 1 8 . 1 1 158 158 GLU H H 170 8.550 8.550 8.075 0.475 17614 8879 1 8 . 1 1 159 159 GLY N N 171 108.941 108.941 108.827 0.114 17614 8880 1 8 . 1 1 159 159 GLY C C 171 174.433 174.433 175.066 -0.633 17614 8881 1 8 . 1 1 159 159 GLY CA C 171 45.193 45.193 44.508 0.685 17614 8882 1 8 . 1 1 159 159 GLY H H 171 7.881 7.881 7.585 0.296 17614 8883 1 8 . 1 1 160 160 ILE N N 172 120.842 120.842 117.264 3.578 17614 8884 1 8 . 1 1 160 160 ILE C C 172 176.997 176.997 177.609 -0.612 17614 8885 1 8 . 1 1 160 160 ILE CA C 172 63.810 63.810 63.781 0.029 17614 8886 1 8 . 1 1 160 160 ILE CB C 172 38.516 38.516 37.490 1.026 17614 8887 1 8 . 1 1 160 160 ILE H H 172 8.550 8.550 8.329 0.221 17614 8888 1 8 . 1 1 161 161 ARG N N 173 119.480 119.480 120.702 -1.222 17614 8889 1 8 . 1 1 161 161 ARG C C 173 178.084 178.084 178.805 -0.721 17614 8890 1 8 . 1 1 161 161 ARG CA C 173 58.711 58.711 59.128 -0.417 17614 8891 1 8 . 1 1 161 161 ARG CB C 173 29.796 29.796 29.465 0.331 17614 8892 1 8 . 1 1 161 161 ARG H H 173 8.277 8.277 8.486 -0.209 17614 8893 1 8 . 1 1 162 162 GLY N N 174 106.379 106.379 107.047 -0.668 17614 8894 1 8 . 1 1 162 162 GLY C C 174 175.210 175.210 175.607 -0.397 17614 8895 1 8 . 1 1 162 162 GLY CA C 174 46.767 46.767 46.558 0.209 17614 8896 1 8 . 1 1 162 162 GLY H H 174 7.690 7.690 7.882 -0.192 17614 8897 1 8 . 1 1 163 163 LEU N N 175 120.664 120.664 122.013 -1.349 17614 8898 1 8 . 1 1 163 163 LEU C C 175 177.971 177.971 179.696 -1.725 17614 8899 1 8 . 1 1 163 163 LEU CA C 175 57.104 57.104 57.687 -0.583 17614 8900 1 8 . 1 1 163 163 LEU CB C 175 42.559 42.559 42.392 0.167 17614 8901 1 8 . 1 1 163 163 LEU H H 175 7.554 7.554 7.339 0.215 17614 8902 1 8 . 1 1 164 164 TRP N N 176 117.031 117.031 118.882 -1.851 17614 8903 1 8 . 1 1 164 164 TRP C C 176 176.987 176.987 177.799 -0.812 17614 8904 1 8 . 1 1 164 164 TRP CA C 176 57.672 57.672 58.243 -0.571 17614 8905 1 8 . 1 1 164 164 TRP CB C 176 29.796 29.796 28.227 1.569 17614 8906 1 8 . 1 1 164 164 TRP H H 176 7.499 7.499 8.284 -0.785 17614 8907 1 8 . 1 1 165 165 LYS N N 177 120.567 120.567 119.170 1.397 17614 8908 1 8 . 1 1 165 165 LYS C C 177 177.152 177.152 177.504 -0.352 17614 8909 1 8 . 1 1 165 165 LYS CA C 177 57.712 57.712 59.817 -2.105 17614 8910 1 8 . 1 1 165 165 LYS CB C 177 32.890 32.890 32.146 0.744 17614 8911 1 8 . 1 1 165 165 LYS H H 177 7.595 7.595 7.407 0.188 17614 8912 1 8 . 1 1 166 166 GLY N N 178 108.667 108.667 103.934 4.733 17614 8913 1 8 . 1 1 166 166 GLY C C 178 174.045 174.045 175.408 -1.363 17614 8914 1 8 . 1 1 166 166 GLY CA C 178 45.893 45.893 45.512 0.381 17614 8915 1 8 . 1 1 166 166 GLY H H 178 7.881 7.881 7.843 0.038 17614 8916 1 8 . 1 1 167 167 THR N N 179 115.080 115.080 115.726 -0.646 17614 8917 1 8 . 1 1 167 167 THR C C 179 175.192 175.192 176.631 -1.439 17614 8918 1 8 . 1 1 167 167 THR CA C 179 66.521 66.521 66.072 0.449 17614 8919 1 8 . 1 1 167 167 THR CB C 179 70.079 70.079 68.300 1.779 17614 8920 1 8 . 1 1 167 167 THR H H 179 7.622 7.622 7.602 0.020 17614 8921 1 8 . 1 1 168 168 SER N N 180 117.754 117.754 116.899 0.855 17614 8922 1 8 . 1 1 168 168 SER CA C 180 63.123 63.123 63.449 -0.326 17614 8923 1 8 . 1 1 168 168 SER CB C 180 62.045 62.045 61.534 0.511 17614 8924 1 8 . 1 1 168 168 SER H H 180 8.195 8.195 7.811 0.384 17614 8925 1 8 . 1 1 170 170 ASN C C 182 177.348 177.348 177.751 -0.403 17614 8926 1 8 . 1 1 171 171 VAL N N 183 118.118 118.118 120.177 -2.059 17614 8927 1 8 . 1 1 171 171 VAL C C 183 176.944 176.944 177.708 -0.764 17614 8928 1 8 . 1 1 171 171 VAL CA C 183 65.244 65.244 66.242 -0.998 17614 8929 1 8 . 1 1 171 171 VAL CB C 183 32.508 32.508 31.632 0.876 17614 8930 1 8 . 1 1 171 171 VAL H H 183 7.861 7.861 7.473 0.388 17614 8931 1 8 . 1 1 172 172 ALA N N 184 122.284 122.284 121.355 0.929 17614 8932 1 8 . 1 1 172 172 ALA C C 184 178.317 178.317 179.220 -0.903 17614 8933 1 8 . 1 1 172 172 ALA CA C 184 55.339 55.339 55.105 0.234 17614 8934 1 8 . 1 1 172 172 ALA CB C 184 28.230 28.230 18.112 10.118 17614 8935 1 8 . 1 1 172 172 ALA H H 184 8.097 8.097 7.402 0.695 17614 8936 1 8 . 1 1 173 173 ARG N N 185 117.321 117.321 119.294 -1.973 17614 8937 1 8 . 1 1 173 173 ARG C C 185 177.527 177.527 178.165 -0.638 17614 8938 1 8 . 1 1 173 173 ARG CA C 185 59.543 59.543 59.544 -0.001 17614 8939 1 8 . 1 1 173 173 ARG CB C 185 29.767 29.767 30.114 -0.347 17614 8940 1 8 . 1 1 173 173 ARG H H 185 7.611 7.611 8.038 -0.427 17614 8941 1 8 . 1 1 174 174 ASN N N 186 117.294 117.294 117.199 0.095 17614 8942 1 8 . 1 1 174 174 ASN C C 186 176.599 176.599 177.196 -0.597 17614 8943 1 8 . 1 1 174 174 ASN CA C 186 56.659 56.659 56.234 0.425 17614 8944 1 8 . 1 1 174 174 ASN CB C 186 39.454 39.454 38.240 1.214 17614 8945 1 8 . 1 1 174 174 ASN H H 186 8.048 8.048 7.840 0.208 17614 8946 1 8 . 1 1 175 175 ALA N N 187 121.003 121.003 123.247 -2.244 17614 8947 1 8 . 1 1 175 175 ALA C C 187 178.713 178.713 179.650 -0.937 17614 8948 1 8 . 1 1 175 175 ALA CA C 187 55.520 55.520 54.891 0.629 17614 8949 1 8 . 1 1 175 175 ALA CB C 187 18.097 18.097 18.731 -0.634 17614 8950 1 8 . 1 1 175 175 ALA H H 187 7.322 7.322 7.356 -0.034 17614 8951 1 8 . 1 1 176 176 ILE N N 188 119.319 119.319 118.948 0.371 17614 8952 1 8 . 1 1 176 176 ILE C C 188 176.634 176.634 178.213 -1.579 17614 8953 1 8 . 1 1 176 176 ILE CA C 188 64.225 64.225 62.967 1.258 17614 8954 1 8 . 1 1 176 176 ILE CB C 188 37.658 37.658 36.294 1.364 17614 8955 1 8 . 1 1 176 176 ILE H H 188 7.779 7.779 7.710 0.069 17614 8956 1 8 . 1 1 177 177 VAL N N 189 117.265 117.265 118.197 -0.932 17614 8957 1 8 . 1 1 177 177 VAL C C 189 177.529 177.529 177.776 -0.247 17614 8958 1 8 . 1 1 177 177 VAL CA C 189 65.562 65.562 66.820 -1.258 17614 8959 1 8 . 1 1 177 177 VAL CB C 189 31.407 31.407 30.290 1.117 17614 8960 1 8 . 1 1 177 177 VAL H H 189 7.776 7.776 7.842 -0.066 17614 8961 1 8 . 1 1 178 178 ASN N N 190 118.736 118.736 119.710 -0.974 17614 8962 1 8 . 1 1 178 178 ASN C C 190 176.476 176.476 177.681 -1.205 17614 8963 1 8 . 1 1 178 178 ASN CA C 190 56.813 56.813 55.771 1.042 17614 8964 1 8 . 1 1 178 178 ASN CB C 190 38.268 38.268 37.939 0.329 17614 8965 1 8 . 1 1 178 178 ASN H H 190 7.800 7.800 7.828 -0.028 17614 8966 1 8 . 1 1 179 179 CYS N N 191 120.152 120.152 118.840 1.312 17614 8967 1 8 . 1 1 179 179 CYS C C 191 175.831 175.831 176.868 -1.037 17614 8968 1 8 . 1 1 179 179 CYS CA C 191 60.293 60.293 62.169 -1.876 17614 8969 1 8 . 1 1 179 179 CYS CB C 191 41.566 41.566 27.582 13.984 17614 8970 1 8 . 1 1 179 179 CYS H H 191 7.784 7.784 7.805 -0.021 17614 8971 1 8 . 1 1 180 180 ALA N N 192 121.963 121.963 123.537 -1.574 17614 8972 1 8 . 1 1 180 180 ALA C C 192 178.395 178.395 179.402 -1.007 17614 8973 1 8 . 1 1 180 180 ALA CA C 192 55.280 55.280 54.955 0.326 17614 8974 1 8 . 1 1 180 180 ALA CB C 192 18.008 18.008 18.099 -0.091 17614 8975 1 8 . 1 1 180 180 ALA H H 192 8.141 8.141 8.648 -0.507 17614 8976 1 8 . 1 1 181 181 GLU N N 193 114.548 114.548 119.219 -4.671 17614 8977 1 8 . 1 1 181 181 GLU C C 193 176.764 176.764 178.902 -2.138 17614 8978 1 8 . 1 1 181 181 GLU CA C 193 58.262 58.262 59.437 -1.175 17614 8979 1 8 . 1 1 181 181 GLU CB C 193 29.342 29.342 29.587 -0.246 17614 8980 1 8 . 1 1 181 181 GLU H H 193 7.595 7.595 8.149 -0.554 17614 8981 1 8 . 1 1 182 182 LEU N N 194 117.659 117.659 117.948 -0.289 17614 8982 1 8 . 1 1 182 182 LEU C C 194 176.904 176.904 178.640 -1.736 17614 8983 1 8 . 1 1 182 182 LEU CA C 194 55.695 55.695 58.478 -2.783 17614 8984 1 8 . 1 1 182 182 LEU CB C 194 41.655 41.655 41.203 0.452 17614 8985 1 8 . 1 1 182 182 LEU H H 194 7.459 7.459 7.923 -0.464 17614 8986 1 8 . 1 1 183 183 VAL N N 195 117.842 117.842 117.320 0.522 17614 8987 1 8 . 1 1 183 183 VAL C C 195 177.150 177.150 177.712 -0.562 17614 8988 1 8 . 1 1 183 183 VAL CA C 195 64.054 64.054 66.059 -2.005 17614 8989 1 8 . 1 1 183 183 VAL CB C 195 31.079 31.079 31.542 -0.463 17614 8990 1 8 . 1 1 183 183 VAL H H 195 7.363 7.363 7.328 0.035 17614 8991 1 8 . 1 1 184 184 THR N N 196 122.439 122.439 117.275 5.164 17614 8992 1 8 . 1 1 184 184 THR C C 196 175.055 175.055 176.661 -1.606 17614 8993 1 8 . 1 1 184 184 THR CA C 196 65.500 65.500 66.741 -1.241 17614 8994 1 8 . 1 1 184 184 THR CB C 196 69.490 69.490 68.703 0.787 17614 8995 1 8 . 1 1 184 184 THR H H 196 7.940 7.940 7.534 0.406 17614 8996 1 8 . 1 1 185 185 TYR N N 197 122.430 122.430 122.379 0.051 17614 8997 1 8 . 1 1 185 185 TYR C C 197 177.152 177.152 177.207 -0.055 17614 8998 1 8 . 1 1 185 185 TYR CA C 197 61.892 61.892 62.021 -0.129 17614 8999 1 8 . 1 1 185 185 TYR CB C 197 38.085 38.085 38.430 -0.345 17614 9000 1 8 . 1 1 185 185 TYR H H 197 9.123 9.123 8.814 0.309 17614 9001 1 8 . 1 1 186 186 ASP N N 198 117.750 117.750 119.470 -1.720 17614 9002 1 8 . 1 1 186 186 ASP C C 198 177.696 177.696 178.385 -0.689 17614 9003 1 8 . 1 1 186 186 ASP CA C 198 57.822 57.822 57.330 0.492 17614 9004 1 8 . 1 1 186 186 ASP CB C 198 40.500 40.500 40.433 0.067 17614 9005 1 8 . 1 1 186 186 ASP H H 198 8.263 8.263 7.828 0.435 17614 9006 1 8 . 1 1 187 187 LEU N N 199 120.698 120.698 118.064 2.634 17614 9007 1 8 . 1 1 187 187 LEU C C 199 180.104 180.104 179.089 1.015 17614 9008 1 8 . 1 1 187 187 LEU CA C 199 58.092 58.092 57.359 0.733 17614 9009 1 8 . 1 1 187 187 LEU CB C 199 42.559 42.559 41.761 0.798 17614 9010 1 8 . 1 1 187 187 LEU H H 199 7.636 7.636 7.207 0.429 17614 9011 1 8 . 1 1 188 188 ILE N N 200 121.136 121.136 118.046 3.090 17614 9012 1 8 . 1 1 188 188 ILE C C 200 176.919 176.919 177.563 -0.644 17614 9013 1 8 . 1 1 188 188 ILE CA C 200 65.482 65.482 63.526 1.956 17614 9014 1 8 . 1 1 188 188 ILE CB C 200 37.949 37.949 36.703 1.246 17614 9015 1 8 . 1 1 188 188 ILE H H 200 7.718 7.718 7.497 0.221 17614 9016 1 8 . 1 1 189 189 LYS N N 201 120.587 120.587 117.938 2.649 17614 9017 1 8 . 1 1 189 189 LYS C C 201 177.696 177.696 178.971 -1.275 17614 9018 1 8 . 1 1 189 189 LYS CA C 201 60.683 60.683 58.631 2.052 17614 9019 1 8 . 1 1 189 189 LYS CB C 201 31.809 31.809 32.217 -0.408 17614 9020 1 8 . 1 1 189 189 LYS H H 201 8.291 8.291 7.850 0.441 17614 9021 1 8 . 1 1 190 190 ASP N N 202 117.936 117.936 116.799 1.137 17614 9022 1 8 . 1 1 190 190 ASP C C 202 178.395 178.395 176.394 2.001 17614 9023 1 8 . 1 1 190 190 ASP CA C 202 57.672 57.672 56.054 1.618 17614 9024 1 8 . 1 1 190 190 ASP CB C 202 41.355 41.355 41.071 0.284 17614 9025 1 8 . 1 1 190 190 ASP H H 202 8.182 8.182 7.806 0.376 17614 9026 1 8 . 1 1 191 191 THR N N 203 115.914 115.914 115.153 0.761 17614 9027 1 8 . 1 1 191 191 THR CA C 203 61.190 61.190 61.804 -0.614 17614 9028 1 8 . 1 1 191 191 THR CB C 203 68.738 68.738 70.047 -1.309 17614 9029 1 8 . 1 1 191 191 THR H H 203 7.690 7.690 7.404 0.286 17614 9030 1 8 . 1 1 192 192 LEU C C 204 176.047 176.047 175.766 0.281 17614 9031 1 8 . 1 1 192 192 LEU H H 204 8.051 8.051 8.762 -0.711 17614 9032 1 8 . 1 1 193 193 LEU N N 205 118.768 118.768 116.704 2.064 17614 9033 1 8 . 1 1 193 193 LEU C C 205 179.871 179.871 177.433 2.438 17614 9034 1 8 . 1 1 193 193 LEU CA C 205 55.867 55.867 53.859 2.008 17614 9035 1 8 . 1 1 193 193 LEU CB C 205 41.887 41.887 41.310 0.577 17614 9036 1 8 . 1 1 193 193 LEU H H 205 7.977 7.977 7.879 0.098 17614 9037 1 8 . 1 1 194 194 LYS N N 206 119.775 119.775 119.081 0.694 17614 9038 1 8 . 1 1 194 194 LYS C C 206 177.318 177.318 176.876 0.442 17614 9039 1 8 . 1 1 194 194 LYS CA C 206 58.461 58.461 57.803 0.657 17614 9040 1 8 . 1 1 194 194 LYS CB C 206 32.734 32.734 32.950 -0.216 17614 9041 1 8 . 1 1 194 194 LYS H H 206 7.677 7.677 8.231 -0.554 17614 9042 1 8 . 1 1 195 195 ALA N N 207 120.757 120.757 119.796 0.961 17614 9043 1 8 . 1 1 195 195 ALA C C 207 176.531 176.531 176.064 0.467 17614 9044 1 8 . 1 1 195 195 ALA CA C 207 53.083 53.083 51.850 1.232 17614 9045 1 8 . 1 1 195 195 ALA CB C 207 18.960 18.960 18.828 0.131 17614 9046 1 8 . 1 1 195 195 ALA H H 207 7.565 7.565 7.685 -0.120 17614 9047 1 8 . 1 1 196 196 ASN N N 208 115.463 115.463 116.275 -0.812 17614 9048 1 8 . 1 1 196 196 ASN C C 208 174.822 174.822 173.663 1.159 17614 9049 1 8 . 1 1 196 196 ASN CA C 208 54.351 54.351 53.614 0.737 17614 9050 1 8 . 1 1 196 196 ASN CB C 208 38.160 38.160 37.631 0.529 17614 9051 1 8 . 1 1 196 196 ASN H H 208 7.936 7.936 8.128 -0.192 17614 9052 1 8 . 1 1 200 200 ASP C C 212 174.735 174.735 174.636 0.099 17614 9053 1 8 . 1 1 201 201 ASP N N 213 116.363 116.363 120.697 -4.334 17614 9054 1 8 . 1 1 201 201 ASP C C 213 175.553 175.553 176.965 -1.412 17614 9055 1 8 . 1 1 201 201 ASP CA C 213 54.890 54.890 53.326 1.564 17614 9056 1 8 . 1 1 201 201 ASP CB C 213 38.846 38.846 40.087 -1.240 17614 9057 1 8 . 1 1 201 201 ASP H H 213 8.129 8.129 8.259 -0.130 17614 9058 1 8 . 1 1 202 202 LEU N N 214 119.486 119.486 120.202 -0.716 17614 9059 1 8 . 1 1 202 202 LEU CA C 214 59.766 59.766 58.300 1.466 17614 9060 1 8 . 1 1 202 202 LEU CB C 214 39.579 39.579 39.923 -0.344 17614 9061 1 8 . 1 1 202 202 LEU H H 214 7.821 7.821 8.290 -0.469 17614 9062 1 8 . 1 1 203 203 PRO C C 215 177.971 177.971 179.174 -1.203 17614 9063 1 8 . 1 1 203 203 PRO CA C 215 65.938 65.938 65.685 0.253 17614 9064 1 8 . 1 1 203 203 PRO CB C 215 30.006 30.006 30.771 -0.765 17614 9065 1 8 . 1 1 204 204 CYS N N 216 114.211 114.211 116.713 -2.502 17614 9066 1 8 . 1 1 204 204 CYS C C 216 176.142 176.142 176.790 -0.648 17614 9067 1 8 . 1 1 204 204 CYS CA C 216 58.773 58.773 62.918 -4.145 17614 9068 1 8 . 1 1 204 204 CYS CB C 216 40.906 40.906 26.681 14.225 17614 9069 1 8 . 1 1 204 204 CYS H H 216 8.269 8.269 8.028 0.241 17614 9070 1 8 . 1 1 205 205 HIS N N 217 120.491 120.491 120.332 0.159 17614 9071 1 8 . 1 1 205 205 HIS C C 217 176.747 176.747 177.313 -0.566 17614 9072 1 8 . 1 1 205 205 HIS CA C 217 57.198 57.198 59.471 -2.273 17614 9073 1 8 . 1 1 205 205 HIS CB C 217 29.886 29.886 29.402 0.484 17614 9074 1 8 . 1 1 205 205 HIS H H 217 7.301 7.301 7.650 -0.349 17614 9075 1 8 . 1 1 206 206 PHE N N 218 120.501 120.501 118.071 2.430 17614 9076 1 8 . 1 1 206 206 PHE C C 218 176.187 176.187 177.780 -1.593 17614 9077 1 8 . 1 1 206 206 PHE CA C 218 59.045 59.045 62.206 -3.161 17614 9078 1 8 . 1 1 206 206 PHE CB C 218 38.901 38.901 38.795 0.106 17614 9079 1 8 . 1 1 206 206 PHE H H 218 8.127 8.127 7.891 0.236 17614 9080 1 8 . 1 1 207 207 THR N N 219 112.682 112.682 113.875 -1.193 17614 9081 1 8 . 1 1 207 207 THR C C 219 175.997 175.997 176.837 -0.840 17614 9082 1 8 . 1 1 207 207 THR CA C 219 64.319 64.319 66.454 -2.135 17614 9083 1 8 . 1 1 207 207 THR CB C 219 63.282 63.282 68.666 -5.384 17614 9084 1 8 . 1 1 207 207 THR H H 219 7.977 7.977 7.937 0.040 17614 9085 1 8 . 1 1 208 208 SER N N 220 117.589 117.589 117.575 0.014 17614 9086 1 8 . 1 1 208 208 SER C C 220 175.055 175.055 176.471 -1.416 17614 9087 1 8 . 1 1 208 208 SER CA C 220 61.344 61.344 61.441 -0.097 17614 9088 1 8 . 1 1 208 208 SER CB C 220 63.440 63.440 62.323 1.117 17614 9089 1 8 . 1 1 208 208 SER H H 220 8.004 8.004 7.698 0.306 17614 9090 1 8 . 1 1 209 209 ALA N N 221 123.860 123.860 124.534 -0.674 17614 9091 1 8 . 1 1 209 209 ALA C C 221 177.618 177.618 179.135 -1.517 17614 9092 1 8 . 1 1 209 209 ALA CA C 221 53.932 53.932 54.819 -0.887 17614 9093 1 8 . 1 1 209 209 ALA CB C 221 18.891 18.891 18.321 0.570 17614 9094 1 8 . 1 1 209 209 ALA H H 221 7.704 7.704 7.336 0.368 17614 9095 1 8 . 1 1 210 210 PHE N N 222 116.073 116.073 120.075 -4.002 17614 9096 1 8 . 1 1 210 210 PHE C C 222 176.142 176.142 177.787 -1.645 17614 9097 1 8 . 1 1 210 210 PHE CA C 222 58.271 58.271 60.961 -2.690 17614 9098 1 8 . 1 1 210 210 PHE CB C 222 39.554 39.554 39.021 0.533 17614 9099 1 8 . 1 1 210 210 PHE H H 222 7.718 7.718 8.150 -0.432 17614 9100 1 8 . 1 1 211 211 GLY N N 223 108.578 108.578 106.318 2.260 17614 9101 1 8 . 1 1 211 211 GLY C C 223 173.889 173.889 175.490 -1.601 17614 9102 1 8 . 1 1 211 211 GLY CA C 223 45.993 45.993 47.016 -1.023 17614 9103 1 8 . 1 1 211 211 GLY H H 223 7.909 7.909 8.098 -0.189 17614 9104 1 8 . 1 1 212 212 ALA N N 224 123.322 123.322 124.461 -1.139 17614 9105 1 8 . 1 1 212 212 ALA C C 224 178.550 178.550 179.826 -1.276 17614 9106 1 8 . 1 1 212 212 ALA CA C 224 53.608 53.608 54.710 -1.102 17614 9107 1 8 . 1 1 212 212 ALA CB C 224 19.069 19.069 18.273 0.796 17614 9108 1 8 . 1 1 212 212 ALA H H 224 8.018 8.018 7.858 0.160 17614 9109 1 8 . 1 1 213 213 GLY N N 225 107.935 107.935 107.577 0.358 17614 9110 1 8 . 1 1 213 213 GLY C C 225 175.389 175.389 175.606 -0.217 17614 9111 1 8 . 1 1 213 213 GLY CA C 225 46.967 46.967 46.812 0.155 17614 9112 1 8 . 1 1 213 213 GLY H H 225 8.304 8.304 8.622 -0.318 17614 9113 1 8 . 1 1 214 214 PHE N N 226 122.440 122.440 122.971 -0.531 17614 9114 1 8 . 1 1 214 214 PHE C C 226 176.998 176.998 177.070 -0.072 17614 9115 1 8 . 1 1 214 214 PHE CA C 226 60.673 60.673 60.658 0.015 17614 9116 1 8 . 1 1 214 214 PHE CB C 226 38.319 38.319 39.239 -0.919 17614 9117 1 8 . 1 1 214 214 PHE H H 226 8.045 8.045 8.052 -0.007 17614 9118 1 8 . 1 1 215 215 CYS N N 227 116.562 116.562 117.648 -1.086 17614 9119 1 8 . 1 1 215 215 CYS CA C 227 61.301 61.301 62.892 -1.591 17614 9120 1 8 . 1 1 215 215 CYS CB C 227 41.286 41.286 26.615 14.671 17614 9121 1 8 . 1 1 215 215 CYS H H 227 8.016 8.016 7.806 0.210 17614 9122 1 8 . 1 1 216 216 THR C C 228 176.437 176.437 176.327 0.110 17614 9123 1 8 . 1 1 216 216 THR H H 228 8.410 8.410 8.403 0.007 17614 9124 1 8 . 1 1 217 217 THR N N 229 115.234 115.234 118.685 -3.451 17614 9125 1 8 . 1 1 217 217 THR C C 229 176.749 176.749 176.075 0.674 17614 9126 1 8 . 1 1 217 217 THR CA C 229 65.980 65.980 67.063 -1.083 17614 9127 1 8 . 1 1 217 217 THR CB C 229 67.443 67.443 68.129 -0.686 17614 9128 1 8 . 1 1 217 217 THR H H 229 8.188 8.188 8.181 0.007 17614 9129 1 8 . 1 1 218 218 VAL N N 230 120.723 120.723 120.456 0.267 17614 9130 1 8 . 1 1 218 218 VAL C C 230 177.983 177.983 177.239 0.744 17614 9131 1 8 . 1 1 218 218 VAL CA C 230 66.832 66.832 66.576 0.257 17614 9132 1 8 . 1 1 218 218 VAL CB C 230 31.168 31.168 31.133 0.035 17614 9133 1 8 . 1 1 218 218 VAL H H 230 8.027 8.027 7.194 0.833 17614 9134 1 8 . 1 1 219 219 ILE N N 231 120.541 120.541 117.870 2.671 17614 9135 1 8 . 1 1 219 219 ILE C C 231 177.368 177.368 177.976 -0.608 17614 9136 1 8 . 1 1 219 219 ILE CA C 231 65.575 65.575 62.699 2.876 17614 9137 1 8 . 1 1 219 219 ILE CB C 231 37.722 37.722 36.332 1.390 17614 9138 1 8 . 1 1 219 219 ILE H H 231 8.458 8.458 7.052 1.406 17614 9139 1 8 . 1 1 220 220 ALA N N 232 122.766 122.766 121.371 1.395 17614 9140 1 8 . 1 1 220 220 ALA C C 232 178.847 178.847 179.726 -0.879 17614 9141 1 8 . 1 1 220 220 ALA CA C 232 55.252 55.252 54.962 0.289 17614 9142 1 8 . 1 1 220 220 ALA CB C 232 17.874 17.874 18.303 -0.429 17614 9143 1 8 . 1 1 220 220 ALA H H 232 8.589 8.589 7.938 0.651 17614 9144 1 8 . 1 1 221 221 SER N N 233 113.387 113.387 114.903 -1.516 17614 9145 1 8 . 1 1 221 221 SER CA C 233 62.348 62.348 62.448 -0.100 17614 9146 1 8 . 1 1 221 221 SER CB C 233 61.630 61.630 61.378 0.252 17614 9147 1 8 . 1 1 221 221 SER H H 233 8.218 8.218 8.038 0.180 17614 9148 1 8 . 1 1 222 222 PRO C C 234 178.221 178.221 178.580 -0.359 17614 9149 1 8 . 1 1 223 223 VAL N N 235 116.087 116.087 116.636 -0.549 17614 9150 1 8 . 1 1 223 223 VAL C C 235 177.089 177.089 177.163 -0.074 17614 9151 1 8 . 1 1 223 223 VAL CA C 235 65.072 65.072 66.272 -1.200 17614 9152 1 8 . 1 1 223 223 VAL CB C 235 31.084 31.084 31.276 -0.192 17614 9153 1 8 . 1 1 223 223 VAL H H 235 8.142 8.142 7.403 0.739 17614 9154 1 8 . 1 1 224 224 ASP N N 236 121.556 121.556 119.613 1.943 17614 9155 1 8 . 1 1 224 224 ASP C C 236 177.422 177.422 178.185 -0.763 17614 9156 1 8 . 1 1 224 224 ASP CA C 236 57.135 57.135 56.873 0.262 17614 9157 1 8 . 1 1 224 224 ASP CB C 236 40.065 40.065 39.929 0.136 17614 9158 1 8 . 1 1 224 224 ASP H H 236 7.932 7.932 7.376 0.556 17614 9159 1 8 . 1 1 225 225 VAL N N 237 117.233 117.233 119.988 -2.755 17614 9160 1 8 . 1 1 225 225 VAL CA C 237 64.977 64.977 66.159 -1.182 17614 9161 1 8 . 1 1 225 225 VAL CB C 237 31.013 31.013 31.803 -0.790 17614 9162 1 8 . 1 1 225 225 VAL H H 237 7.710 7.710 7.583 0.127 17614 9163 1 8 . 1 1 226 226 VAL C C 238 177.584 177.584 177.376 0.208 17614 9164 1 8 . 1 1 226 226 VAL H H 238 7.607 7.607 7.468 0.139 17614 9165 1 8 . 1 1 227 227 LYS N N 239 120.095 120.095 119.834 0.261 17614 9166 1 8 . 1 1 227 227 LYS C C 239 178.678 178.678 178.274 0.404 17614 9167 1 8 . 1 1 227 227 LYS CA C 239 58.483 58.483 58.433 0.050 17614 9168 1 8 . 1 1 227 227 LYS CB C 239 31.863 31.863 31.908 -0.045 17614 9169 1 8 . 1 1 227 227 LYS H H 239 7.761 7.761 7.430 0.331 17614 9170 1 8 . 1 1 228 228 THR N N 240 115.247 115.247 113.940 1.307 17614 9171 1 8 . 1 1 228 228 THR C C 240 175.093 175.093 174.726 0.367 17614 9172 1 8 . 1 1 228 228 THR CA C 240 66.458 66.458 64.687 1.771 17614 9173 1 8 . 1 1 228 228 THR CB C 240 68.011 68.011 69.059 -1.048 17614 9174 1 8 . 1 1 228 228 THR H H 240 7.761 7.761 7.680 0.081 17614 9175 1 8 . 1 1 229 229 ARG N N 241 119.633 119.633 122.024 -2.391 17614 9176 1 8 . 1 1 229 229 ARG CA C 241 57.133 57.133 57.159 -0.026 17614 9177 1 8 . 1 1 229 229 ARG CB C 241 31.218 31.218 30.177 1.040 17614 9178 1 8 . 1 1 229 229 ARG H H 241 7.383 7.383 7.477 -0.094 17614 9179 1 8 . 1 1 230 230 TYR C C 242 174.956 174.956 174.085 0.871 17614 9180 1 8 . 1 1 230 230 TYR H H 242 8.699 8.699 8.735 -0.036 17614 9181 1 8 . 1 1 231 231 MET N N 243 118.458 118.458 122.327 -3.869 17614 9182 1 8 . 1 1 231 231 MET C C 243 175.676 175.676 175.321 0.355 17614 9183 1 8 . 1 1 231 231 MET CA C 243 54.417 54.417 54.329 0.088 17614 9184 1 8 . 1 1 231 231 MET H H 243 7.442 7.442 8.367 -0.925 17614 9185 1 8 . 1 1 232 232 ASN N N 244 116.369 116.369 119.390 -3.021 17614 9186 1 8 . 1 1 232 232 ASN C C 244 174.919 174.919 175.156 -0.237 17614 9187 1 8 . 1 1 232 232 ASN CA C 244 59.470 59.470 53.020 6.450 17614 9188 1 8 . 1 1 232 232 ASN CB C 244 39.079 39.079 39.757 -0.678 17614 9189 1 8 . 1 1 232 232 ASN H H 244 7.772 7.772 8.946 -1.174 17614 9190 1 8 . 1 1 233 233 SER N N 245 114.568 114.568 114.056 0.512 17614 9191 1 8 . 1 1 233 233 SER C C 245 175.695 175.695 172.264 3.431 17614 9192 1 8 . 1 1 233 233 SER CA C 245 53.852 53.852 57.959 -4.107 17614 9193 1 8 . 1 1 233 233 SER CB C 245 61.232 61.232 65.123 -3.891 17614 9194 1 8 . 1 1 233 233 SER H H 245 8.475 8.475 7.898 0.577 17614 9195 1 8 . 1 1 234 234 ALA N N 246 127.283 127.283 122.492 4.791 17614 9196 1 8 . 1 1 234 234 ALA C C 246 177.128 177.128 175.935 1.193 17614 9197 1 8 . 1 1 234 234 ALA CA C 246 56.803 56.803 51.960 4.843 17614 9198 1 8 . 1 1 234 234 ALA CB C 246 18.901 18.901 20.157 -1.256 17614 9199 1 8 . 1 1 234 234 ALA H H 246 7.929 7.929 8.128 -0.199 17614 9200 1 8 . 1 1 235 235 LEU N N 247 118.112 118.112 120.378 -2.266 17614 9201 1 8 . 1 1 235 235 LEU C C 247 176.723 176.723 175.960 0.763 17614 9202 1 8 . 1 1 235 235 LEU CA C 247 54.156 54.156 54.987 -0.831 17614 9203 1 8 . 1 1 235 235 LEU CB C 247 41.215 41.215 40.006 1.209 17614 9204 1 8 . 1 1 235 235 LEU H H 247 7.922 7.922 8.529 -0.607 17614 9205 1 8 . 1 1 236 236 GLY N N 248 107.203 107.203 109.191 -1.988 17614 9206 1 8 . 1 1 236 236 GLY CA C 248 44.558 44.558 44.877 -0.320 17614 9207 1 8 . 1 1 236 236 GLY H H 248 8.318 8.318 8.127 0.191 17614 9208 1 8 . 1 1 238 238 TYR C C 250 175.942 175.942 175.408 0.534 17614 9209 1 8 . 1 1 238 238 TYR H H 250 8.134 8.134 8.834 -0.700 17614 9210 1 8 . 1 1 239 239 HIS N N 251 123.281 123.281 118.326 4.955 17614 9211 1 8 . 1 1 239 239 HIS C C 251 174.531 174.531 175.249 -0.718 17614 9212 1 8 . 1 1 239 239 HIS CA C 251 58.931 58.931 58.042 0.889 17614 9213 1 8 . 1 1 239 239 HIS CB C 251 29.525 29.525 30.799 -1.274 17614 9214 1 8 . 1 1 239 239 HIS H H 251 8.184 8.184 8.342 -0.158 17614 9215 1 8 . 1 1 240 240 SER N N 252 110.038 110.038 111.397 -1.359 17614 9216 1 8 . 1 1 240 240 SER C C 252 174.429 174.429 173.862 0.567 17614 9217 1 8 . 1 1 240 240 SER CA C 252 57.452 57.452 57.701 -0.249 17614 9218 1 8 . 1 1 240 240 SER CB C 252 65.022 65.022 65.041 -0.019 17614 9219 1 8 . 1 1 240 240 SER H H 252 8.010 8.010 7.886 0.124 17614 9220 1 8 . 1 1 241 241 ALA N N 253 123.034 123.034 124.531 -1.497 17614 9221 1 8 . 1 1 241 241 ALA C C 253 179.249 179.249 179.461 -0.212 17614 9222 1 8 . 1 1 241 241 ALA CA C 253 54.981 54.981 54.818 0.163 17614 9223 1 8 . 1 1 241 241 ALA CB C 253 19.069 19.069 18.677 0.392 17614 9224 1 8 . 1 1 241 241 ALA H H 253 8.034 8.034 8.694 -0.660 17614 9225 1 8 . 1 1 242 242 GLY N N 254 106.379 106.379 105.796 0.583 17614 9226 1 8 . 1 1 242 242 GLY C C 254 174.433 174.433 175.663 -1.230 17614 9227 1 8 . 1 1 242 242 GLY CA C 254 47.615 47.615 47.031 0.584 17614 9228 1 8 . 1 1 242 242 GLY H H 254 8.427 8.427 8.699 -0.272 17614 9229 1 8 . 1 1 243 243 HIS N N 255 121.119 121.119 120.939 0.180 17614 9230 1 8 . 1 1 243 243 HIS C C 255 178.084 178.084 176.928 1.156 17614 9231 1 8 . 1 1 243 243 HIS CA C 255 60.144 60.144 59.643 0.501 17614 9232 1 8 . 1 1 243 243 HIS CB C 255 33.073 33.073 29.864 3.209 17614 9233 1 8 . 1 1 243 243 HIS H H 255 8.304 8.304 7.848 0.456 17614 9234 1 8 . 1 1 244 244 CYS N N 256 117.946 117.946 118.246 -0.300 17614 9235 1 8 . 1 1 244 244 CYS C C 256 175.453 175.453 176.200 -0.747 17614 9236 1 8 . 1 1 244 244 CYS CA C 256 58.668 58.668 63.788 -5.120 17614 9237 1 8 . 1 1 244 244 CYS CB C 256 41.434 41.434 27.142 14.292 17614 9238 1 8 . 1 1 244 244 CYS H H 256 8.168 8.168 7.745 0.423 17614 9239 1 8 . 1 1 245 245 ALA N N 257 123.138 123.138 122.510 0.628 17614 9240 1 8 . 1 1 245 245 ALA C C 257 179.489 179.489 179.175 0.314 17614 9241 1 8 . 1 1 245 245 ALA CA C 257 54.589 54.589 55.383 -0.793 17614 9242 1 8 . 1 1 245 245 ALA CB C 257 17.675 17.675 18.169 -0.494 17614 9243 1 8 . 1 1 245 245 ALA H H 257 7.932 7.932 7.579 0.353 17614 9244 1 8 . 1 1 246 246 LEU N N 258 119.779 119.779 118.842 0.937 17614 9245 1 8 . 1 1 246 246 LEU C C 258 178.234 178.234 179.146 -0.912 17614 9246 1 8 . 1 1 246 246 LEU CA C 258 56.967 56.967 57.777 -0.810 17614 9247 1 8 . 1 1 246 246 LEU CB C 258 41.067 41.067 40.948 0.119 17614 9248 1 8 . 1 1 246 246 LEU H H 258 7.681 7.681 7.910 -0.229 17614 9249 1 8 . 1 1 247 247 THR N N 259 114.552 114.552 116.191 -1.639 17614 9250 1 8 . 1 1 247 247 THR C C 259 176.244 176.244 176.944 -0.700 17614 9251 1 8 . 1 1 247 247 THR CA C 259 66.511 66.511 66.985 -0.474 17614 9252 1 8 . 1 1 247 247 THR CB C 259 67.274 67.274 68.499 -1.225 17614 9253 1 8 . 1 1 247 247 THR H H 259 7.855 7.855 7.778 0.077 17614 9254 1 8 . 1 1 248 248 MET N N 260 118.862 118.862 119.982 -1.120 17614 9255 1 8 . 1 1 248 248 MET C C 260 177.094 177.094 177.891 -0.797 17614 9256 1 8 . 1 1 248 248 MET CA C 260 58.532 58.532 59.400 -0.868 17614 9257 1 8 . 1 1 248 248 MET CB C 260 32.288 32.288 32.578 -0.290 17614 9258 1 8 . 1 1 248 248 MET H H 260 8.296 8.296 8.309 -0.013 17614 9259 1 8 . 1 1 249 249 LEU N N 261 116.839 116.839 117.966 -1.127 17614 9260 1 8 . 1 1 249 249 LEU C C 261 178.162 178.162 178.831 -0.669 17614 9261 1 8 . 1 1 249 249 LEU CA C 261 58.167 58.167 57.718 0.450 17614 9262 1 8 . 1 1 249 249 LEU CB C 261 42.202 42.202 41.945 0.257 17614 9263 1 8 . 1 1 249 249 LEU H H 261 8.053 8.053 8.032 0.021 17614 9264 1 8 . 1 1 250 250 ARG N N 262 116.821 116.821 118.224 -1.403 17614 9265 1 8 . 1 1 250 250 ARG CA C 262 58.761 58.761 58.674 0.087 17614 9266 1 8 . 1 1 250 250 ARG CB C 262 30.825 30.825 30.732 0.093 17614 9267 1 8 . 1 1 250 250 ARG H H 262 7.827 7.827 7.783 0.044 17614 9268 1 8 . 1 1 254 254 PRO C C 266 177.152 177.152 178.323 -1.171 17614 9269 1 8 . 1 1 254 254 PRO CA C 266 65.152 65.152 64.082 1.070 17614 9270 1 8 . 1 1 255 255 ARG N N 267 117.739 117.739 118.904 -1.165 17614 9271 1 8 . 1 1 255 255 ARG C C 267 177.463 177.463 177.519 -0.056 17614 9272 1 8 . 1 1 255 255 ARG CA C 267 59.335 59.335 59.014 0.320 17614 9273 1 8 . 1 1 255 255 ARG CB C 267 30.185 30.185 29.479 0.706 17614 9274 1 8 . 1 1 255 255 ARG H H 267 8.072 8.072 8.001 0.071 17614 9275 1 8 . 1 1 256 256 ALA N N 268 121.709 121.709 121.932 -0.223 17614 9276 1 8 . 1 1 256 256 ALA C C 268 179.251 179.251 179.730 -0.479 17614 9277 1 8 . 1 1 256 256 ALA CA C 268 54.631 54.631 54.662 -0.031 17614 9278 1 8 . 1 1 256 256 ALA CB C 268 18.683 18.683 18.242 0.441 17614 9279 1 8 . 1 1 256 256 ALA H H 268 7.963 7.963 7.510 0.453 17614 9280 1 8 . 1 1 257 257 PHE N N 269 117.096 117.096 117.731 -0.635 17614 9281 1 8 . 1 1 257 257 PHE C C 269 175.987 175.987 177.572 -1.585 17614 9282 1 8 . 1 1 257 257 PHE CA C 269 61.037 61.037 60.838 0.199 17614 9283 1 8 . 1 1 257 257 PHE CB C 269 38.637 38.637 38.053 0.584 17614 9284 1 8 . 1 1 257 257 PHE H H 269 7.832 7.832 7.332 0.500 17614 9285 1 8 . 1 1 258 258 TYR N N 270 118.496 118.496 120.081 -1.585 17614 9286 1 8 . 1 1 258 258 TYR C C 270 176.250 176.250 176.678 -0.428 17614 9287 1 8 . 1 1 258 258 TYR CA C 270 60.116 60.116 59.593 0.523 17614 9288 1 8 . 1 1 258 258 TYR CB C 270 38.882 38.882 38.933 -0.051 17614 9289 1 8 . 1 1 258 258 TYR H H 270 7.813 7.813 7.777 0.036 17614 9290 1 8 . 1 1 259 259 LYS N N 271 119.458 119.458 119.782 -0.324 17614 9291 1 8 . 1 1 259 259 LYS C C 271 177.696 177.696 176.626 1.070 17614 9292 1 8 . 1 1 259 259 LYS CA C 271 57.192 57.192 56.367 0.825 17614 9293 1 8 . 1 1 259 259 LYS CB C 271 32.734 32.734 33.206 -0.472 17614 9294 1 8 . 1 1 259 259 LYS H H 271 7.864 7.864 7.814 0.050 17614 9295 1 8 . 1 1 260 260 GLY N N 272 106.217 106.217 106.986 -0.769 17614 9296 1 8 . 1 1 260 260 GLY C C 272 173.967 173.967 173.539 0.428 17614 9297 1 8 . 1 1 260 260 GLY CA C 272 46.117 46.117 45.554 0.563 17614 9298 1 8 . 1 1 260 260 GLY H H 272 7.622 7.622 8.373 -0.751 17614 9299 1 8 . 1 1 261 261 PHE N N 273 118.847 118.847 117.928 0.919 17614 9300 1 8 . 1 1 261 261 PHE C C 273 175.055 175.055 175.088 -0.033 17614 9301 1 8 . 1 1 261 261 PHE CA C 273 57.721 57.721 57.157 0.564 17614 9302 1 8 . 1 1 261 261 PHE CB C 273 40.183 40.183 39.044 1.139 17614 9303 1 8 . 1 1 261 261 PHE H H 273 7.677 7.677 7.634 0.043 17614 9304 1 8 . 1 1 265 265 PHE C C 277 176.602 176.602 176.801 -0.199 17614 9305 1 8 . 1 1 265 265 PHE CA C 277 61.838 61.838 61.649 0.189 17614 9306 1 8 . 1 1 265 265 PHE CB C 277 39.537 39.537 39.420 0.117 17614 9307 1 8 . 1 1 265 265 PHE H H 277 7.695 7.695 8.557 -0.862 17614 9308 1 8 . 1 1 266 266 LEU N N 278 118.465 118.465 118.743 -0.278 17614 9309 1 8 . 1 1 266 266 LEU C C 278 177.152 177.152 179.304 -2.152 17614 9310 1 8 . 1 1 266 266 LEU CA C 278 56.115 56.115 58.106 -1.991 17614 9311 1 8 . 1 1 266 266 LEU CB C 278 42.398 42.398 40.987 1.411 17614 9312 1 8 . 1 1 266 266 LEU H H 278 8.104 8.104 7.886 0.218 17614 9313 1 8 . 1 1 267 267 ARG N N 279 118.749 118.749 119.113 -0.364 17614 9314 1 8 . 1 1 267 267 ARG C C 279 176.608 176.608 178.919 -2.311 17614 9315 1 8 . 1 1 267 267 ARG CA C 279 56.938 56.938 59.225 -2.287 17614 9316 1 8 . 1 1 267 267 ARG CB C 279 30.659 30.659 30.034 0.625 17614 9317 1 8 . 1 1 267 267 ARG H H 279 7.472 7.472 7.913 -0.441 17614 9318 1 8 . 1 1 268 268 LEU N N 280 120.305 120.305 117.983 2.322 17614 9319 1 8 . 1 1 268 268 LEU C C 280 177.540 177.540 178.965 -1.425 17614 9320 1 8 . 1 1 268 268 LEU CA C 280 57.094 57.094 58.115 -1.021 17614 9321 1 8 . 1 1 268 268 LEU CB C 280 42.027 42.027 40.379 1.648 17614 9322 1 8 . 1 1 268 268 LEU H H 280 7.690 7.690 8.108 -0.418 17614 9323 1 8 . 1 1 269 269 GLY N N 281 106.837 106.837 107.516 -0.679 17614 9324 1 8 . 1 1 269 269 GLY C C 281 174.045 174.045 176.086 -2.041 17614 9325 1 8 . 1 1 269 269 GLY CA C 281 46.967 46.967 47.041 -0.074 17614 9326 1 8 . 1 1 269 269 GLY H H 281 7.881 7.881 7.687 0.194 17614 9327 1 8 . 1 1 270 270 SER N N 282 115.531 115.531 118.291 -2.760 17614 9328 1 8 . 1 1 270 270 SER C C 282 174.123 174.123 176.160 -2.037 17614 9329 1 8 . 1 1 270 270 SER CA C 282 58.796 58.796 61.865 -3.069 17614 9330 1 8 . 1 1 270 270 SER CB C 282 58.975 58.975 63.264 -4.289 17614 9331 1 8 . 1 1 270 270 SER H H 282 7.813 7.813 7.495 0.318 17614 9332 1 8 . 1 1 271 271 TRP N N 283 122.851 122.851 122.559 0.292 17614 9333 1 8 . 1 1 271 271 TRP C C 283 176.142 176.142 177.394 -1.252 17614 9334 1 8 . 1 1 271 271 TRP CA C 283 59.221 59.221 61.065 -1.844 17614 9335 1 8 . 1 1 271 271 TRP CB C 283 30.446 30.446 29.625 0.821 17614 9336 1 8 . 1 1 271 271 TRP H H 283 8.186 8.186 8.419 -0.233 17614 9337 1 8 . 1 1 272 272 ASN N N 284 118.459 118.459 117.099 1.360 17614 9338 1 8 . 1 1 272 272 ASN CA C 284 55.325 55.325 56.159 -0.834 17614 9339 1 8 . 1 1 272 272 ASN CB C 284 39.504 39.504 37.792 1.712 17614 9340 1 8 . 1 1 272 272 ASN H H 284 8.127 8.127 8.073 0.054 17614 9341 1 8 . 1 1 273 273 VAL C C 285 177.263 177.263 177.643 -0.380 17614 9342 1 8 . 1 1 273 273 VAL H H 285 7.854 7.854 7.415 0.439 17614 9343 1 8 . 1 1 274 274 VAL N N 286 119.883 119.883 117.831 2.052 17614 9344 1 8 . 1 1 274 274 VAL C C 286 177.072 177.072 177.392 -0.320 17614 9345 1 8 . 1 1 274 274 VAL CA C 286 64.717 64.717 65.705 -0.988 17614 9346 1 8 . 1 1 274 274 VAL CB C 286 29.553 29.553 30.912 -1.359 17614 9347 1 8 . 1 1 274 274 VAL H H 286 7.483 7.483 7.237 0.246 17614 9348 1 8 . 1 1 275 275 MET N N 287 120.401 120.401 116.917 3.484 17614 9349 1 8 . 1 1 275 275 MET C C 287 177.594 177.594 178.545 -0.951 17614 9350 1 8 . 1 1 275 275 MET CA C 287 57.654 57.654 58.532 -0.878 17614 9351 1 8 . 1 1 275 275 MET CB C 287 31.592 31.592 31.634 -0.042 17614 9352 1 8 . 1 1 275 275 MET H H 287 8.118 8.118 7.016 1.101 17614 9353 1 8 . 1 1 276 276 PHE N N 288 122.234 122.234 121.683 0.551 17614 9354 1 8 . 1 1 276 276 PHE C C 288 176.498 176.498 177.350 -0.852 17614 9355 1 8 . 1 1 276 276 PHE CA C 288 61.766 61.766 62.270 -0.504 17614 9356 1 8 . 1 1 276 276 PHE CB C 288 39.031 39.031 39.284 -0.253 17614 9357 1 8 . 1 1 276 276 PHE H H 288 7.878 7.878 7.879 -0.001 17614 9358 1 8 . 1 1 277 277 VAL N N 289 118.907 118.907 118.416 0.491 17614 9359 1 8 . 1 1 277 277 VAL CA C 289 64.566 64.566 66.747 -2.181 17614 9360 1 8 . 1 1 277 277 VAL CB C 289 30.544 30.544 30.852 -0.308 17614 9361 1 8 . 1 1 277 277 VAL H H 289 7.913 7.913 7.702 0.211 17614 9362 1 8 . 1 1 278 278 THR C C 290 175.376 175.376 176.880 -1.504 17614 9363 1 8 . 1 1 278 278 THR H H 290 8.095 8.095 7.293 0.802 17614 9364 1 8 . 1 1 279 279 TYR N N 291 118.029 118.029 121.065 -3.036 17614 9365 1 8 . 1 1 279 279 TYR C C 291 176.919 176.919 177.556 -0.637 17614 9366 1 8 . 1 1 279 279 TYR CA C 291 61.717 61.717 61.448 0.269 17614 9367 1 8 . 1 1 279 279 TYR CB C 291 38.020 38.020 37.515 0.505 17614 9368 1 8 . 1 1 279 279 TYR H H 291 7.986 7.986 7.801 0.185 17614 9369 1 8 . 1 1 280 280 GLU N N 292 118.005 118.005 119.401 -1.396 17614 9370 1 8 . 1 1 280 280 GLU C C 292 176.686 176.686 178.890 -2.204 17614 9371 1 8 . 1 1 280 280 GLU CA C 292 60.084 60.084 59.830 0.254 17614 9372 1 8 . 1 1 280 280 GLU CB C 292 29.443 29.443 29.183 0.260 17614 9373 1 8 . 1 1 280 280 GLU H H 292 8.359 8.359 8.144 0.215 17614 9374 1 8 . 1 1 281 281 GLN N N 293 118.746 118.746 118.409 0.337 17614 9375 1 8 . 1 1 281 281 GLN C C 293 176.210 176.210 178.491 -2.281 17614 9376 1 8 . 1 1 281 281 GLN CA C 293 58.986 58.986 58.418 0.568 17614 9377 1 8 . 1 1 281 281 GLN CB C 293 28.784 28.784 28.731 0.053 17614 9378 1 8 . 1 1 281 281 GLN H H 293 7.704 7.704 7.440 0.264 17614 9379 1 8 . 1 1 282 282 LEU N N 294 120.970 120.970 118.793 2.177 17614 9380 1 8 . 1 1 282 282 LEU C C 294 178.084 178.084 178.057 0.027 17614 9381 1 8 . 1 1 282 282 LEU CA C 294 58.741 58.741 56.877 1.864 17614 9382 1 8 . 1 1 282 282 LEU CB C 294 41.451 41.451 41.927 -0.476 17614 9383 1 8 . 1 1 282 282 LEU H H 294 7.995 7.995 7.489 0.506 17614 9384 1 8 . 1 1 283 283 LYS N N 295 117.756 117.756 117.155 0.601 17614 9385 1 8 . 1 1 283 283 LYS CA C 295 59.048 59.048 58.194 0.854 17614 9386 1 8 . 1 1 283 283 LYS CB C 295 31.871 31.871 33.008 -1.137 17614 9387 1 8 . 1 1 283 283 LYS H H 295 7.731 7.731 7.826 -0.095 17614 9388 1 8 . 1 1 284 284 ARG H H 296 7.895 7.895 7.828 0.067 17614 9389 1 8 . 1 1 285 285 ALA C C 297 176.488 176.488 176.702 -0.214 17614 9390 1 8 . 1 1 285 285 ALA H H 297 8.223 8.223 8.310 -0.087 17614 9391 1 8 . 1 1 286 286 LEU N N 298 117.376 117.376 121.480 -4.104 17614 9392 1 8 . 1 1 286 286 LEU C C 298 178.628 178.628 177.086 1.542 17614 9393 1 8 . 1 1 286 286 LEU CA C 298 58.217 58.217 55.569 2.648 17614 9394 1 8 . 1 1 286 286 LEU CB C 298 41.905 41.905 42.154 -0.249 17614 9395 1 8 . 1 1 286 286 LEU H H 298 7.947 7.947 8.355 -0.408 17614 9396 1 8 . 1 1 287 287 MET N N 299 127.376 127.376 126.536 0.840 17614 9397 1 8 . 1 1 287 287 MET C C 299 178.472 178.472 175.117 3.355 17614 9398 1 8 . 1 1 287 287 MET CA C 299 58.461 58.461 54.786 3.675 17614 9399 1 8 . 1 1 287 287 MET CB C 299 32.110 32.110 30.298 1.812 17614 9400 1 8 . 1 1 287 287 MET H H 299 8.182 8.182 8.858 -0.676 17614 9401 1 8 . 1 1 288 288 ALA N N 300 121.854 121.854 123.272 -1.418 17614 9402 1 8 . 1 1 288 288 ALA C C 300 180.197 180.197 176.481 3.716 17614 9403 1 8 . 1 1 288 288 ALA CA C 300 55.617 55.617 52.613 3.004 17614 9404 1 8 . 1 1 288 288 ALA CB C 300 18.215 18.215 20.164 -1.949 17614 9405 1 8 . 1 1 288 288 ALA H H 300 7.841 7.841 7.707 0.134 17614 9406 1 8 . 1 1 289 289 ALA N N 301 121.224 121.224 128.394 -7.170 17614 9407 1 8 . 1 1 289 289 ALA C C 301 178.939 178.939 178.085 0.854 17614 9408 1 8 . 1 1 289 289 ALA CA C 301 55.186 55.186 54.468 0.718 17614 9409 1 8 . 1 1 289 289 ALA CB C 301 18.735 18.735 18.988 -0.253 17614 9410 1 8 . 1 1 289 289 ALA H H 301 7.872 7.872 8.696 -0.824 17614 9411 1 8 . 1 1 290 290 TYR N N 302 118.183 118.183 119.568 -1.385 17614 9412 1 8 . 1 1 290 290 TYR C C 302 176.841 176.841 177.560 -0.719 17614 9413 1 8 . 1 1 290 290 TYR CA C 302 60.868 60.868 61.648 -0.780 17614 9414 1 8 . 1 1 290 290 TYR CB C 302 39.344 39.344 37.958 1.387 17614 9415 1 8 . 1 1 290 290 TYR H H 302 8.100 8.100 8.517 -0.417 17614 9416 1 8 . 1 1 291 291 GLN N N 303 117.243 117.243 117.815 -0.572 17614 9417 1 8 . 1 1 291 291 GLN C C 303 176.997 176.997 178.936 -1.939 17614 9418 1 8 . 1 1 291 291 GLN CA C 303 58.787 58.787 59.101 -0.314 17614 9419 1 8 . 1 1 291 291 GLN CB C 303 29.216 29.216 27.880 1.336 17614 9420 1 8 . 1 1 291 291 GLN H H 303 8.059 8.059 8.531 -0.472 17614 9421 1 8 . 1 1 292 292 SER N N 304 114.721 114.721 115.033 -0.312 17614 9422 1 8 . 1 1 292 292 SER C C 304 174.511 174.511 176.035 -1.524 17614 9423 1 8 . 1 1 292 292 SER CA C 304 59.720 59.720 60.781 -1.061 17614 9424 1 8 . 1 1 292 292 SER CB C 304 63.896 63.896 63.202 0.694 17614 9425 1 8 . 1 1 292 292 SER H H 304 7.718 7.718 7.814 -0.096 17614 9426 1 8 . 1 1 293 293 ARG N N 305 121.401 121.401 119.313 2.088 17614 9427 1 8 . 1 1 293 293 ARG C C 305 175.521 175.521 177.928 -2.407 17614 9428 1 8 . 1 1 293 293 ARG CA C 305 59.639 59.639 58.844 0.794 17614 9429 1 8 . 1 1 293 293 ARG CB C 305 30.568 30.568 30.607 -0.039 17614 9430 1 8 . 1 1 293 293 ARG H H 305 7.609 7.609 7.997 -0.388 17614 9431 1 8 . 1 1 294 294 GLU N N 306 120.090 120.090 117.060 3.030 17614 9432 1 8 . 1 1 294 294 GLU C C 306 177.648 177.648 178.936 -1.288 17614 9433 1 8 . 1 1 294 294 GLU CA C 306 59.624 59.624 58.501 1.123 17614 9434 1 8 . 1 1 294 294 GLU CB C 306 30.362 30.362 29.196 1.166 17614 9435 1 8 . 1 1 294 294 GLU H H 306 7.909 7.909 7.576 0.333 17614 9436 1 8 . 1 1 295 295 ALA N N 307 121.234 121.234 124.941 -3.707 17614 9437 1 8 . 1 1 295 295 ALA C C 307 176.014 176.014 177.210 -1.196 17614 9438 1 8 . 1 1 295 295 ALA CA C 307 56.844 56.844 55.311 1.533 17614 9439 1 8 . 1 1 295 295 ALA CB C 307 17.735 17.735 16.826 0.909 17614 9440 1 8 . 1 1 295 295 ALA H H 307 7.760 7.760 7.802 -0.042 17614 9441 1 9 . 1 1 3 3 VAL N N 15 123.095 123.095 120.259 2.836 17614 9442 1 9 . 1 1 3 3 VAL C C 15 176.453 176.453 176.928 -0.475 17614 9443 1 9 . 1 1 3 3 VAL CA C 15 63.979 63.979 61.097 2.882 17614 9444 1 9 . 1 1 3 3 VAL CB C 15 32.507 32.507 32.946 -0.439 17614 9445 1 9 . 1 1 3 3 VAL H H 15 8.053 8.053 7.685 0.368 17614 9446 1 9 . 1 1 4 4 LYS N N 16 123.075 123.075 124.407 -1.332 17614 9447 1 9 . 1 1 4 4 LYS C C 16 176.841 176.841 178.957 -2.116 17614 9448 1 9 . 1 1 4 4 LYS CA C 16 59.762 59.762 59.374 0.388 17614 9449 1 9 . 1 1 4 4 LYS CB C 16 32.751 32.751 31.999 0.752 17614 9450 1 9 . 1 1 4 4 LYS H H 16 8.059 8.059 8.784 -0.725 17614 9451 1 9 . 1 1 5 5 PHE N N 17 118.838 118.838 119.772 -0.934 17614 9452 1 9 . 1 1 5 5 PHE C C 17 175.443 175.443 177.030 -1.587 17614 9453 1 9 . 1 1 5 5 PHE CA C 17 59.915 59.915 61.352 -1.437 17614 9454 1 9 . 1 1 5 5 PHE CB C 17 39.659 39.659 39.045 0.614 17614 9455 1 9 . 1 1 5 5 PHE H H 17 7.909 7.909 8.282 -0.373 17614 9456 1 9 . 1 1 6 6 LEU N N 18 119.089 119.089 118.651 0.438 17614 9457 1 9 . 1 1 6 6 LEU C C 18 177.195 177.195 177.654 -0.459 17614 9458 1 9 . 1 1 6 6 LEU CA C 18 55.385 55.385 56.975 -1.590 17614 9459 1 9 . 1 1 6 6 LEU CB C 18 42.905 42.905 41.369 1.536 17614 9460 1 9 . 1 1 6 6 LEU H H 18 7.814 7.814 8.027 -0.213 17614 9461 1 9 . 1 1 7 7 GLY N N 19 108.484 108.484 108.340 0.144 17614 9462 1 9 . 1 1 7 7 GLY C C 19 174.967 174.967 175.492 -0.525 17614 9463 1 9 . 1 1 7 7 GLY CA C 19 45.518 45.518 46.999 -1.481 17614 9464 1 9 . 1 1 7 7 GLY H H 19 8.032 8.032 8.045 -0.013 17614 9465 1 9 . 1 1 8 8 ALA N N 20 124.208 124.208 123.858 0.350 17614 9466 1 9 . 1 1 8 8 ALA C C 20 179.405 179.405 179.379 0.026 17614 9467 1 9 . 1 1 8 8 ALA CA C 20 54.531 54.531 54.357 0.174 17614 9468 1 9 . 1 1 8 8 ALA CB C 20 18.995 18.995 18.080 0.915 17614 9469 1 9 . 1 1 8 8 ALA H H 20 8.318 8.318 8.034 0.284 17614 9470 1 9 . 1 1 9 9 GLY N N 21 108.209 108.209 107.220 0.989 17614 9471 1 9 . 1 1 9 9 GLY C C 21 175.676 175.676 176.252 -0.576 17614 9472 1 9 . 1 1 9 9 GLY CA C 21 46.742 46.742 47.226 -0.484 17614 9473 1 9 . 1 1 9 9 GLY H H 21 8.523 8.523 8.057 0.466 17614 9474 1 9 . 1 1 10 10 THR N N 22 119.542 119.542 118.619 0.923 17614 9475 1 9 . 1 1 10 10 THR C C 22 175.661 175.661 176.018 -0.357 17614 9476 1 9 . 1 1 10 10 THR CA C 22 66.401 66.401 65.809 0.592 17614 9477 1 9 . 1 1 10 10 THR CB C 22 68.866 68.866 68.605 0.261 17614 9478 1 9 . 1 1 10 10 THR H H 22 7.881 7.881 8.312 -0.431 17614 9479 1 9 . 1 1 11 11 ALA N N 23 123.431 123.431 124.126 -0.695 17614 9480 1 9 . 1 1 11 11 ALA C C 23 178.628 178.628 178.996 -0.368 17614 9481 1 9 . 1 1 11 11 ALA CA C 23 55.480 55.480 54.948 0.532 17614 9482 1 9 . 1 1 11 11 ALA CB C 23 18.218 18.218 17.998 0.220 17614 9483 1 9 . 1 1 11 11 ALA H H 23 8.263 8.263 7.490 0.772 17614 9484 1 9 . 1 1 12 12 ALA N N 24 119.939 119.939 120.741 -0.802 17614 9485 1 9 . 1 1 12 12 ALA C C 24 179.172 179.172 179.434 -0.262 17614 9486 1 9 . 1 1 12 12 ALA CA C 24 55.038 55.038 55.030 0.008 17614 9487 1 9 . 1 1 12 12 ALA CB C 24 18.385 18.385 18.267 0.117 17614 9488 1 9 . 1 1 12 12 ALA H H 24 7.827 7.827 8.373 -0.546 17614 9489 1 9 . 1 1 13 13 CYS N N 25 116.736 116.736 117.739 -1.003 17614 9490 1 9 . 1 1 13 13 CYS C C 25 176.220 176.220 176.770 -0.550 17614 9491 1 9 . 1 1 13 13 CYS CA C 25 58.596 58.596 62.537 -3.941 17614 9492 1 9 . 1 1 13 13 CYS CB C 25 41.771 41.771 26.984 14.787 17614 9493 1 9 . 1 1 13 13 CYS H H 25 7.677 7.677 7.478 0.199 17614 9494 1 9 . 1 1 14 14 ILE N N 26 119.154 119.154 119.142 0.012 17614 9495 1 9 . 1 1 14 14 ILE C C 26 176.915 176.915 177.327 -0.412 17614 9496 1 9 . 1 1 14 14 ILE CA C 26 64.858 64.858 64.557 0.301 17614 9497 1 9 . 1 1 14 14 ILE CB C 26 38.090 38.090 37.102 0.988 17614 9498 1 9 . 1 1 14 14 ILE H H 26 7.899 7.899 7.588 0.311 17614 9499 1 9 . 1 1 15 15 ALA N N 27 121.116 121.116 121.832 -0.716 17614 9500 1 9 . 1 1 15 15 ALA C C 27 179.016 179.016 178.829 0.187 17614 9501 1 9 . 1 1 15 15 ALA CA C 27 55.367 55.367 55.076 0.291 17614 9502 1 9 . 1 1 15 15 ALA CB C 27 18.385 18.385 18.262 0.123 17614 9503 1 9 . 1 1 15 15 ALA H H 27 7.909 7.909 7.835 0.074 17614 9504 1 9 . 1 1 16 16 ASP N N 28 116.829 116.829 118.373 -1.544 17614 9505 1 9 . 1 1 16 16 ASP C C 28 177.643 177.643 178.238 -0.595 17614 9506 1 9 . 1 1 16 16 ASP CA C 28 56.453 56.453 56.262 0.191 17614 9507 1 9 . 1 1 16 16 ASP CB C 28 41.128 41.128 41.254 -0.126 17614 9508 1 9 . 1 1 16 16 ASP H H 28 7.554 7.554 7.473 0.081 17614 9509 1 9 . 1 1 17 17 LEU N N 29 119.672 119.672 120.302 -0.630 17614 9510 1 9 . 1 1 17 17 LEU C C 29 178.628 178.628 179.440 -0.812 17614 9511 1 9 . 1 1 17 17 LEU CA C 29 57.144 57.144 58.112 -0.968 17614 9512 1 9 . 1 1 17 17 LEU CB C 29 43.146 43.146 41.943 1.203 17614 9513 1 9 . 1 1 17 17 LEU H H 29 7.732 7.732 7.293 0.439 17614 9514 1 9 . 1 1 18 18 ILE N N 30 113.629 113.629 117.804 -4.175 17614 9515 1 9 . 1 1 18 18 ILE C C 30 176.456 176.456 176.554 -0.098 17614 9516 1 9 . 1 1 18 18 ILE CA C 30 60.539 60.539 63.360 -2.821 17614 9517 1 9 . 1 1 18 18 ILE CB C 30 38.506 38.506 38.185 0.321 17614 9518 1 9 . 1 1 18 18 ILE H H 30 7.977 7.977 7.595 0.382 17614 9519 1 9 . 1 1 19 19 THR N N 31 113.314 113.314 115.216 -1.902 17614 9520 1 9 . 1 1 19 19 THR C C 31 174.045 174.045 175.567 -1.522 17614 9521 1 9 . 1 1 19 19 THR CA C 31 62.495 62.495 63.892 -1.397 17614 9522 1 9 . 1 1 19 19 THR CB C 31 69.898 69.898 70.048 -0.150 17614 9523 1 9 . 1 1 19 19 THR H H 31 7.738 7.738 7.120 0.618 17614 9524 1 9 . 1 1 20 20 PHE N N 32 123.409 123.409 123.909 -0.500 17614 9525 1 9 . 1 1 20 20 PHE CA C 32 56.349 56.349 62.293 -5.944 17614 9526 1 9 . 1 1 20 20 PHE CB C 32 39.148 39.148 37.080 2.068 17614 9527 1 9 . 1 1 20 20 PHE H H 32 7.609 7.609 8.326 -0.717 17614 9528 1 9 . 1 1 21 21 PRO C C 33 177.831 177.831 177.777 0.054 17614 9529 1 9 . 1 1 21 21 PRO CA C 33 62.656 62.656 65.271 -2.615 17614 9530 1 9 . 1 1 21 21 PRO CB C 33 34.762 34.762 31.046 3.716 17614 9531 1 9 . 1 1 22 22 LEU N N 34 124.503 124.503 118.084 6.419 17614 9532 1 9 . 1 1 22 22 LEU C C 34 176.298 176.298 178.156 -1.858 17614 9533 1 9 . 1 1 22 22 LEU CA C 34 55.545 55.545 58.120 -2.575 17614 9534 1 9 . 1 1 22 22 LEU CB C 34 43.287 43.287 41.477 1.810 17614 9535 1 9 . 1 1 22 22 LEU H H 34 8.659 8.659 7.309 1.350 17614 9536 1 9 . 1 1 23 23 ASP N N 35 121.663 121.663 118.086 3.577 17614 9537 1 9 . 1 1 23 23 ASP C C 35 177.152 177.152 178.079 -0.927 17614 9538 1 9 . 1 1 23 23 ASP CA C 35 54.326 54.326 56.950 -2.624 17614 9539 1 9 . 1 1 23 23 ASP CB C 35 41.154 41.154 39.486 1.668 17614 9540 1 9 . 1 1 23 23 ASP H H 35 8.236 8.236 7.704 0.532 17614 9541 1 9 . 1 1 24 24 THR N N 36 115.977 115.977 111.858 4.119 17614 9542 1 9 . 1 1 24 24 THR C C 36 177.088 177.088 176.178 0.910 17614 9543 1 9 . 1 1 24 24 THR CA C 36 64.868 64.868 65.416 -0.548 17614 9544 1 9 . 1 1 24 24 THR CB C 36 69.053 69.053 68.512 0.541 17614 9545 1 9 . 1 1 24 24 THR H H 36 8.127 8.127 7.633 0.494 17614 9546 1 9 . 1 1 25 25 ALA N N 37 125.063 125.063 124.066 0.997 17614 9547 1 9 . 1 1 25 25 ALA C C 37 179.143 179.143 179.579 -0.436 17614 9548 1 9 . 1 1 25 25 ALA CA C 37 55.234 55.234 54.839 0.395 17614 9549 1 9 . 1 1 25 25 ALA CB C 37 18.735 18.735 18.154 0.581 17614 9550 1 9 . 1 1 25 25 ALA H H 37 8.042 8.042 8.431 -0.389 17614 9551 1 9 . 1 1 26 26 LYS N N 38 117.827 117.827 118.014 -0.187 17614 9552 1 9 . 1 1 26 26 LYS C C 38 178.239 178.239 178.348 -0.109 17614 9553 1 9 . 1 1 26 26 LYS CA C 38 58.861 58.861 59.150 -0.289 17614 9554 1 9 . 1 1 26 26 LYS CB C 38 32.724 32.724 32.385 0.339 17614 9555 1 9 . 1 1 26 26 LYS H H 38 7.759 7.759 7.506 0.253 17614 9556 1 9 . 1 1 27 27 VAL N N 39 118.955 118.955 113.894 5.061 17614 9557 1 9 . 1 1 27 27 VAL C C 39 177.892 177.892 178.127 -0.235 17614 9558 1 9 . 1 1 27 27 VAL CA C 39 65.478 65.478 64.864 0.614 17614 9559 1 9 . 1 1 27 27 VAL CB C 39 34.675 34.675 31.779 2.896 17614 9560 1 9 . 1 1 27 27 VAL H H 39 7.554 7.554 7.433 0.121 17614 9561 1 9 . 1 1 28 28 ARG N N 40 119.922 119.922 119.624 0.298 17614 9562 1 9 . 1 1 28 28 ARG C C 40 178.391 178.391 178.787 -0.396 17614 9563 1 9 . 1 1 28 28 ARG CA C 40 59.648 59.648 57.801 1.847 17614 9564 1 9 . 1 1 28 28 ARG CB C 40 29.933 29.933 29.940 -0.007 17614 9565 1 9 . 1 1 28 28 ARG H H 40 7.794 7.794 7.433 0.361 17614 9566 1 9 . 1 1 29 29 LEU N N 41 118.720 118.720 121.720 -3.000 17614 9567 1 9 . 1 1 29 29 LEU CA C 41 54.749 54.749 54.672 0.077 17614 9568 1 9 . 1 1 29 29 LEU CB C 41 40.429 40.429 39.703 0.726 17614 9569 1 9 . 1 1 29 29 LEU H H 41 7.534 7.534 7.829 -0.295 17614 9570 1 9 . 1 1 37 37 GLY C C 49 174.779 174.779 175.590 -0.811 17614 9571 1 9 . 1 1 38 38 LEU N N 50 123.029 123.029 122.135 0.894 17614 9572 1 9 . 1 1 38 38 LEU C C 50 178.482 178.482 178.630 -0.148 17614 9573 1 9 . 1 1 38 38 LEU CA C 50 56.765 56.765 57.189 -0.424 17614 9574 1 9 . 1 1 38 38 LEU CB C 50 41.673 41.673 41.522 0.151 17614 9575 1 9 . 1 1 38 38 LEU H H 50 8.113 8.113 7.957 0.156 17614 9576 1 9 . 1 1 39 39 VAL N N 51 118.714 118.714 118.778 -0.064 17614 9577 1 9 . 1 1 39 39 VAL C C 51 178.032 178.032 178.372 -0.340 17614 9578 1 9 . 1 1 39 39 VAL CA C 51 66.037 66.037 66.594 -0.557 17614 9579 1 9 . 1 1 39 39 VAL CB C 51 30.763 30.763 30.943 -0.180 17614 9580 1 9 . 1 1 39 39 VAL H H 51 7.974 7.974 8.139 -0.165 17614 9581 1 9 . 1 1 40 40 ARG N N 52 121.569 121.569 117.775 3.794 17614 9582 1 9 . 1 1 40 40 ARG CA C 52 59.167 59.167 58.738 0.429 17614 9583 1 9 . 1 1 40 40 ARG CB C 52 29.437 29.437 29.587 -0.150 17614 9584 1 9 . 1 1 40 40 ARG H H 52 8.231 8.231 8.320 -0.089 17614 9585 1 9 . 1 1 41 41 THR C C 53 175.108 175.108 174.941 0.167 17614 9586 1 9 . 1 1 41 41 THR H H 53 7.948 7.948 7.398 0.550 17614 9587 1 9 . 1 1 42 42 ALA N N 54 121.823 121.823 123.675 -1.852 17614 9588 1 9 . 1 1 42 42 ALA C C 54 174.922 174.922 176.164 -1.242 17614 9589 1 9 . 1 1 42 42 ALA CA C 54 50.101 50.101 50.452 -0.351 17614 9590 1 9 . 1 1 42 42 ALA CB C 54 18.950 18.950 18.892 0.058 17614 9591 1 9 . 1 1 42 42 ALA H H 54 7.792 7.792 7.679 0.113 17614 9592 1 9 . 1 1 43 43 ALA N N 55 113.986 113.986 124.088 -10.102 17614 9593 1 9 . 1 1 43 43 ALA C C 55 178.007 178.007 177.239 0.768 17614 9594 1 9 . 1 1 43 43 ALA CA C 55 53.458 53.458 53.996 -0.538 17614 9595 1 9 . 1 1 43 43 ALA CB C 55 18.809 18.809 18.627 0.182 17614 9596 1 9 . 1 1 43 43 ALA H H 55 7.333 7.333 8.622 -1.289 17614 9597 1 9 . 1 1 44 44 SER N N 56 125.425 125.425 112.918 12.507 17614 9598 1 9 . 1 1 44 44 SER C C 56 174.899 174.899 174.127 0.772 17614 9599 1 9 . 1 1 44 44 SER CA C 56 59.520 59.520 57.207 2.313 17614 9600 1 9 . 1 1 44 44 SER CB C 56 64.051 64.051 64.722 -0.671 17614 9601 1 9 . 1 1 44 44 SER H H 56 7.786 7.786 7.399 0.387 17614 9602 1 9 . 1 1 45 45 ALA N N 57 118.183 118.183 121.221 -3.038 17614 9603 1 9 . 1 1 45 45 ALA CA C 57 53.783 53.783 52.734 1.049 17614 9604 1 9 . 1 1 45 45 ALA CB C 57 17.599 17.599 17.633 -0.034 17614 9605 1 9 . 1 1 45 45 ALA H H 57 8.018 8.018 8.012 0.006 17614 9606 1 9 . 1 1 47 47 TYR C C 59 177.662 177.662 176.332 1.330 17614 9607 1 9 . 1 1 48 48 ARG N N 60 122.798 122.798 118.206 4.592 17614 9608 1 9 . 1 1 48 48 ARG C C 60 177.956 177.956 175.566 2.390 17614 9609 1 9 . 1 1 48 48 ARG CA C 60 58.711 58.711 55.827 2.884 17614 9610 1 9 . 1 1 48 48 ARG CB C 60 30.659 30.659 31.832 -1.173 17614 9611 1 9 . 1 1 48 48 ARG H H 60 8.311 8.311 8.101 0.210 17614 9612 1 9 . 1 1 49 49 GLY N N 61 109.033 109.033 112.152 -3.119 17614 9613 1 9 . 1 1 49 49 GLY C C 61 176.064 176.064 175.342 0.722 17614 9614 1 9 . 1 1 49 49 GLY CA C 61 46.592 46.592 45.292 1.300 17614 9615 1 9 . 1 1 49 49 GLY H H 61 8.182 8.182 8.358 -0.176 17614 9616 1 9 . 1 1 50 50 VAL N N 62 123.218 123.218 126.390 -3.172 17614 9617 1 9 . 1 1 50 50 VAL C C 62 177.540 177.540 177.719 -0.179 17614 9618 1 9 . 1 1 50 50 VAL CA C 62 66.277 66.277 64.918 1.359 17614 9619 1 9 . 1 1 50 50 VAL CB C 62 32.355 32.355 31.712 0.643 17614 9620 1 9 . 1 1 50 50 VAL H H 62 8.105 8.105 8.520 -0.415 17614 9621 1 9 . 1 1 51 51 LEU N N 63 120.295 120.295 120.487 -0.192 17614 9622 1 9 . 1 1 51 51 LEU C C 63 178.628 178.628 179.338 -0.710 17614 9623 1 9 . 1 1 51 51 LEU CA C 63 58.366 58.366 57.745 0.621 17614 9624 1 9 . 1 1 51 51 LEU CB C 63 41.675 41.675 39.936 1.739 17614 9625 1 9 . 1 1 51 51 LEU H H 63 8.182 8.182 8.351 -0.169 17614 9626 1 9 . 1 1 52 52 GLY N N 64 106.013 106.013 106.322 -0.309 17614 9627 1 9 . 1 1 52 52 GLY C C 64 176.531 176.531 176.304 0.227 17614 9628 1 9 . 1 1 52 52 GLY CA C 64 47.765 47.765 47.365 0.400 17614 9629 1 9 . 1 1 52 52 GLY H H 64 8.102 8.102 8.388 -0.286 17614 9630 1 9 . 1 1 53 53 THR N N 65 120.842 120.842 119.314 1.528 17614 9631 1 9 . 1 1 53 53 THR C C 65 176.453 176.453 176.540 -0.087 17614 9632 1 9 . 1 1 53 53 THR CA C 65 67.140 67.140 67.361 -0.221 17614 9633 1 9 . 1 1 53 53 THR CB C 65 69.161 69.161 68.621 0.540 17614 9634 1 9 . 1 1 53 53 THR H H 65 7.854 7.854 7.468 0.386 17614 9635 1 9 . 1 1 54 54 ILE N N 66 122.676 122.676 121.001 1.675 17614 9636 1 9 . 1 1 54 54 ILE C C 66 177.307 177.307 177.508 -0.201 17614 9637 1 9 . 1 1 54 54 ILE CA C 66 65.832 65.832 65.013 0.819 17614 9638 1 9 . 1 1 54 54 ILE CB C 66 38.090 38.090 37.614 0.476 17614 9639 1 9 . 1 1 54 54 ILE H H 66 8.018 8.018 7.459 0.559 17614 9640 1 9 . 1 1 55 55 LEU N N 67 119.838 119.838 119.416 0.422 17614 9641 1 9 . 1 1 55 55 LEU C C 67 178.706 178.706 178.603 0.103 17614 9642 1 9 . 1 1 55 55 LEU CA C 67 58.491 58.491 58.053 0.438 17614 9643 1 9 . 1 1 55 55 LEU CB C 67 41.387 41.387 40.876 0.511 17614 9644 1 9 . 1 1 55 55 LEU H H 67 8.291 8.291 7.614 0.676 17614 9645 1 9 . 1 1 56 56 THR N N 68 115.362 115.362 115.473 -0.111 17614 9646 1 9 . 1 1 56 56 THR C C 68 176.764 176.764 176.492 0.272 17614 9647 1 9 . 1 1 56 56 THR CA C 68 67.040 67.040 66.543 0.497 17614 9648 1 9 . 1 1 56 56 THR CB C 68 69.403 69.403 68.867 0.536 17614 9649 1 9 . 1 1 56 56 THR H H 68 7.963 7.963 7.325 0.638 17614 9650 1 9 . 1 1 57 57 MET N N 69 122.960 122.960 119.556 3.404 17614 9651 1 9 . 1 1 57 57 MET C C 69 177.153 177.153 177.866 -0.713 17614 9652 1 9 . 1 1 57 57 MET CA C 69 59.710 59.710 58.731 0.979 17614 9653 1 9 . 1 1 57 57 MET CB C 69 33.111 33.111 31.795 1.316 17614 9654 1 9 . 1 1 57 57 MET H H 69 7.977 7.977 7.625 0.352 17614 9655 1 9 . 1 1 58 58 VAL N N 70 119.558 119.558 120.273 -0.715 17614 9656 1 9 . 1 1 58 58 VAL C C 70 176.841 176.841 177.347 -0.506 17614 9657 1 9 . 1 1 58 58 VAL CA C 70 66.277 66.277 64.549 1.728 17614 9658 1 9 . 1 1 58 58 VAL CB C 70 31.362 31.362 31.873 -0.511 17614 9659 1 9 . 1 1 58 58 VAL H H 70 7.751 7.751 7.543 0.208 17614 9660 1 9 . 1 1 59 59 ARG N N 71 118.002 118.002 118.400 -0.398 17614 9661 1 9 . 1 1 59 59 ARG C C 71 177.152 177.152 177.788 -0.636 17614 9662 1 9 . 1 1 59 59 ARG CA C 71 58.761 58.761 58.310 0.451 17614 9663 1 9 . 1 1 59 59 ARG CB C 71 30.656 30.656 30.089 0.567 17614 9664 1 9 . 1 1 59 59 ARG H H 71 7.827 7.827 7.545 0.282 17614 9665 1 9 . 1 1 60 60 THR N N 72 111.410 111.410 114.887 -3.477 17614 9666 1 9 . 1 1 60 60 THR C C 72 175.288 175.288 175.419 -0.131 17614 9667 1 9 . 1 1 60 60 THR CA C 72 64.194 64.194 66.115 -1.921 17614 9668 1 9 . 1 1 60 60 THR CB C 72 70.312 70.312 69.000 1.312 17614 9669 1 9 . 1 1 60 60 THR H H 72 7.745 7.745 7.666 0.079 17614 9670 1 9 . 1 1 61 61 GLU N N 73 120.577 120.577 119.137 1.440 17614 9671 1 9 . 1 1 61 61 GLU C C 73 177.696 177.696 176.061 1.635 17614 9672 1 9 . 1 1 61 61 GLU CA C 73 57.363 57.363 55.926 1.437 17614 9673 1 9 . 1 1 61 61 GLU CB C 73 30.927 30.927 31.731 -0.804 17614 9674 1 9 . 1 1 61 61 GLU H H 73 8.263 8.263 8.000 0.263 17614 9675 1 9 . 1 1 62 62 GLY N N 74 108.209 108.209 106.977 1.232 17614 9676 1 9 . 1 1 62 62 GLY CA C 74 45.593 45.593 44.615 0.978 17614 9677 1 9 . 1 1 62 62 GLY H H 74 7.841 7.841 7.383 0.458 17614 9678 1 9 . 1 1 63 63 PRO C C 75 177.152 177.152 178.514 -1.362 17614 9679 1 9 . 1 1 63 63 PRO CA C 75 65.652 65.652 64.420 1.232 17614 9680 1 9 . 1 1 63 63 PRO CB C 75 32.294 32.294 32.267 0.027 17614 9681 1 9 . 1 1 64 64 ARG N N 76 118.553 118.553 117.446 1.107 17614 9682 1 9 . 1 1 64 64 ARG C C 76 177.696 177.696 177.402 0.294 17614 9683 1 9 . 1 1 64 64 ARG CA C 76 59.785 59.785 58.292 1.493 17614 9684 1 9 . 1 1 64 64 ARG CB C 76 29.671 29.671 29.614 0.056 17614 9685 1 9 . 1 1 64 64 ARG H H 76 8.427 8.427 8.582 -0.155 17614 9686 1 9 . 1 1 65 65 SER N N 77 115.323 115.323 114.447 0.876 17614 9687 1 9 . 1 1 65 65 SER C C 77 177.230 177.230 175.677 1.553 17614 9688 1 9 . 1 1 65 65 SER CA C 77 61.318 61.318 60.812 0.506 17614 9689 1 9 . 1 1 65 65 SER CB C 77 63.281 63.281 63.274 0.007 17614 9690 1 9 . 1 1 65 65 SER H H 77 7.963 7.963 8.136 -0.173 17614 9691 1 9 . 1 1 66 66 LEU N N 78 122.598 122.598 120.774 1.824 17614 9692 1 9 . 1 1 66 66 LEU C C 78 177.696 177.696 177.162 0.534 17614 9693 1 9 . 1 1 66 66 LEU CA C 78 57.792 57.792 56.593 1.199 17614 9694 1 9 . 1 1 66 66 LEU CB C 78 42.202 42.202 42.492 -0.290 17614 9695 1 9 . 1 1 66 66 LEU H H 78 7.595 7.595 7.516 0.079 17614 9696 1 9 . 1 1 67 67 TYR N N 79 119.276 119.276 113.103 6.173 17614 9697 1 9 . 1 1 67 67 TYR C C 79 176.142 176.142 175.663 0.479 17614 9698 1 9 . 1 1 67 67 TYR CA C 79 60.792 60.792 58.262 2.530 17614 9699 1 9 . 1 1 67 67 TYR CB C 79 38.687 38.687 38.908 -0.221 17614 9700 1 9 . 1 1 67 67 TYR H H 79 7.868 7.868 7.548 0.320 17614 9701 1 9 . 1 1 68 68 ASN N N 80 117.249 117.249 118.548 -1.299 17614 9702 1 9 . 1 1 68 68 ASN C C 80 178.472 178.472 175.558 2.914 17614 9703 1 9 . 1 1 68 68 ASN CA C 80 53.024 53.024 53.484 -0.460 17614 9704 1 9 . 1 1 68 68 ASN CB C 80 37.946 37.946 38.611 -0.665 17614 9705 1 9 . 1 1 68 68 ASN H H 80 8.374 8.374 7.368 1.006 17614 9706 1 9 . 1 1 69 69 GLY N N 81 108.575 108.575 114.601 -6.026 17614 9707 1 9 . 1 1 69 69 GLY C C 81 175.521 175.521 175.471 0.050 17614 9708 1 9 . 1 1 69 69 GLY CA C 81 46.266 46.266 45.440 0.826 17614 9709 1 9 . 1 1 69 69 GLY H H 81 8.086 8.086 8.663 -0.577 17614 9710 1 9 . 1 1 70 70 LEU N N 82 124.326 124.326 121.445 2.881 17614 9711 1 9 . 1 1 70 70 LEU C C 82 178.239 178.239 177.544 0.695 17614 9712 1 9 . 1 1 70 70 LEU CA C 82 58.217 58.217 57.987 0.230 17614 9713 1 9 . 1 1 70 70 LEU CB C 82 42.351 42.351 40.579 1.772 17614 9714 1 9 . 1 1 70 70 LEU H H 82 7.991 7.991 7.211 0.780 17614 9715 1 9 . 1 1 71 71 VAL N N 83 117.727 117.727 119.167 -1.440 17614 9716 1 9 . 1 1 71 71 VAL C C 83 177.851 177.851 176.820 1.031 17614 9717 1 9 . 1 1 71 71 VAL CA C 83 64.113 64.113 64.230 -0.117 17614 9718 1 9 . 1 1 71 71 VAL CB C 83 31.924 31.924 31.420 0.504 17614 9719 1 9 . 1 1 71 71 VAL H H 83 8.004 8.004 8.139 -0.135 17614 9720 1 9 . 1 1 72 72 ALA N N 84 121.414 121.414 121.585 -0.171 17614 9721 1 9 . 1 1 72 72 ALA C C 84 180.570 180.570 179.681 0.889 17614 9722 1 9 . 1 1 72 72 ALA CA C 84 55.031 55.031 54.709 0.322 17614 9723 1 9 . 1 1 72 72 ALA CB C 84 18.286 18.286 18.183 0.103 17614 9724 1 9 . 1 1 72 72 ALA H H 84 7.677 7.677 7.300 0.377 17614 9725 1 9 . 1 1 73 73 GLY N N 85 106.471 106.471 107.577 -1.106 17614 9726 1 9 . 1 1 73 73 GLY C C 85 175.521 175.521 176.030 -0.509 17614 9727 1 9 . 1 1 73 73 GLY CA C 85 47.191 47.191 46.718 0.473 17614 9728 1 9 . 1 1 73 73 GLY H H 85 7.963 7.963 7.679 0.284 17614 9729 1 9 . 1 1 74 74 LEU N N 86 122.326 122.326 122.242 0.084 17614 9730 1 9 . 1 1 74 74 LEU C C 86 178.239 178.239 178.690 -0.451 17614 9731 1 9 . 1 1 74 74 LEU CA C 86 57.493 57.493 57.982 -0.489 17614 9732 1 9 . 1 1 74 74 LEU CB C 86 42.202 42.202 41.617 0.585 17614 9733 1 9 . 1 1 74 74 LEU H H 86 8.100 8.100 7.463 0.637 17614 9734 1 9 . 1 1 75 75 GLN N N 87 117.736 117.736 118.029 -0.293 17614 9735 1 9 . 1 1 75 75 GLN C C 87 177.340 177.340 178.050 -0.710 17614 9736 1 9 . 1 1 75 75 GLN CA C 87 57.787 57.787 59.015 -1.228 17614 9737 1 9 . 1 1 75 75 GLN CB C 87 28.942 28.942 28.161 0.781 17614 9738 1 9 . 1 1 75 75 GLN H H 87 8.004 8.004 7.851 0.153 17614 9739 1 9 . 1 1 76 76 ARG N N 88 118.107 118.107 120.457 -2.350 17614 9740 1 9 . 1 1 76 76 ARG C C 88 177.930 177.930 178.788 -0.858 17614 9741 1 9 . 1 1 76 76 ARG CA C 88 58.062 58.062 59.866 -1.804 17614 9742 1 9 . 1 1 76 76 ARG CB C 88 30.774 30.774 29.982 0.792 17614 9743 1 9 . 1 1 76 76 ARG H H 88 7.568 7.568 7.326 0.242 17614 9744 1 9 . 1 1 77 77 GLN N N 89 117.921 117.921 117.458 0.463 17614 9745 1 9 . 1 1 77 77 GLN C C 89 177.375 177.375 178.500 -1.125 17614 9746 1 9 . 1 1 77 77 GLN CA C 89 56.838 56.838 58.227 -1.389 17614 9747 1 9 . 1 1 77 77 GLN CB C 89 29.006 29.006 28.141 0.865 17614 9748 1 9 . 1 1 77 77 GLN H H 89 7.827 7.827 7.591 0.236 17614 9749 1 9 . 1 1 78 78 MET N N 90 118.378 118.378 120.621 -2.243 17614 9750 1 9 . 1 1 78 78 MET C C 90 176.365 176.365 177.939 -1.574 17614 9751 1 9 . 1 1 78 78 MET CA C 90 56.339 56.339 57.908 -1.569 17614 9752 1 9 . 1 1 78 78 MET CB C 90 33.444 33.444 32.213 1.231 17614 9753 1 9 . 1 1 78 78 MET H H 90 7.963 7.963 8.533 -0.570 17614 9754 1 9 . 1 1 79 79 SER N N 91 115.089 115.089 115.560 -0.471 17614 9755 1 9 . 1 1 79 79 SER C C 91 175.899 175.899 176.728 -0.829 17614 9756 1 9 . 1 1 79 79 SER CA C 91 58.621 58.621 61.147 -2.526 17614 9757 1 9 . 1 1 79 79 SER CB C 91 64.337 64.337 62.777 1.560 17614 9758 1 9 . 1 1 79 79 SER H H 91 7.868 7.868 7.871 -0.003 17614 9759 1 9 . 1 1 80 80 PHE N N 92 122.852 122.852 123.077 -0.225 17614 9760 1 9 . 1 1 80 80 PHE C C 92 177.375 177.375 176.542 0.833 17614 9761 1 9 . 1 1 80 80 PHE CA C 92 59.095 59.095 61.432 -2.337 17614 9762 1 9 . 1 1 80 80 PHE CB C 92 38.937 38.937 39.018 -0.081 17614 9763 1 9 . 1 1 80 80 PHE H H 92 8.332 8.332 7.601 0.731 17614 9764 1 9 . 1 1 81 81 ALA N N 93 123.258 123.258 119.068 4.190 17614 9765 1 9 . 1 1 81 81 ALA C C 93 178.628 178.628 178.397 0.231 17614 9766 1 9 . 1 1 81 81 ALA CA C 93 54.881 54.881 54.383 0.498 17614 9767 1 9 . 1 1 81 81 ALA CB C 93 17.902 17.902 18.172 -0.270 17614 9768 1 9 . 1 1 81 81 ALA H H 93 8.223 8.223 7.623 0.600 17614 9769 1 9 . 1 1 82 82 SER N N 94 112.886 112.886 114.386 -1.500 17614 9770 1 9 . 1 1 82 82 SER C C 94 176.831 176.831 176.917 -0.086 17614 9771 1 9 . 1 1 82 82 SER CA C 94 60.319 60.319 60.714 -0.395 17614 9772 1 9 . 1 1 82 82 SER CB C 94 63.611 63.611 63.561 0.050 17614 9773 1 9 . 1 1 82 82 SER H H 94 7.977 7.977 7.444 0.533 17614 9774 1 9 . 1 1 83 83 VAL N N 95 121.854 121.854 122.861 -1.007 17614 9775 1 9 . 1 1 83 83 VAL C C 95 176.220 176.220 175.926 0.294 17614 9776 1 9 . 1 1 83 83 VAL CA C 95 64.629 64.629 64.508 0.121 17614 9777 1 9 . 1 1 83 83 VAL CB C 95 31.328 31.328 31.337 -0.009 17614 9778 1 9 . 1 1 83 83 VAL H H 95 7.581 7.581 8.080 -0.499 17614 9779 1 9 . 1 1 84 84 ARG N N 96 121.329 121.329 118.531 2.798 17614 9780 1 9 . 1 1 84 84 ARG C C 96 176.814 176.814 177.237 -0.423 17614 9781 1 9 . 1 1 84 84 ARG CA C 96 58.636 58.636 57.646 0.990 17614 9782 1 9 . 1 1 84 84 ARG CB C 96 30.672 30.672 29.337 1.335 17614 9783 1 9 . 1 1 84 84 ARG H H 96 7.936 7.936 7.213 0.723 17614 9784 1 9 . 1 1 85 85 ILE N N 97 119.194 119.194 118.454 0.740 17614 9785 1 9 . 1 1 85 85 ILE C C 97 177.152 177.152 176.125 1.027 17614 9786 1 9 . 1 1 85 85 ILE CA C 97 63.296 63.296 61.778 1.518 17614 9787 1 9 . 1 1 85 85 ILE CB C 97 38.757 38.757 38.389 0.368 17614 9788 1 9 . 1 1 85 85 ILE H H 97 7.802 7.802 7.487 0.315 17614 9789 1 9 . 1 1 86 86 GLY N N 98 109.857 109.857 108.024 1.833 17614 9790 1 9 . 1 1 86 86 GLY C C 98 176.064 176.064 175.208 0.856 17614 9791 1 9 . 1 1 86 86 GLY CA C 98 46.941 46.941 46.112 0.829 17614 9792 1 9 . 1 1 86 86 GLY H H 98 8.127 8.127 7.678 0.449 17614 9793 1 9 . 1 1 87 87 LEU N N 99 123.258 123.258 122.613 0.645 17614 9794 1 9 . 1 1 87 87 LEU C C 99 177.856 177.856 178.042 -0.186 17614 9795 1 9 . 1 1 87 87 LEU CA C 99 58.264 58.264 57.157 1.107 17614 9796 1 9 . 1 1 87 87 LEU CB C 99 42.488 42.488 41.675 0.813 17614 9797 1 9 . 1 1 87 87 LEU H H 99 8.223 8.223 7.996 0.227 17614 9798 1 9 . 1 1 88 88 TYR N N 100 119.770 119.770 120.666 -0.896 17614 9799 1 9 . 1 1 88 88 TYR C C 100 176.997 176.997 177.020 -0.023 17614 9800 1 9 . 1 1 88 88 TYR CA C 100 61.592 61.592 62.544 -0.952 17614 9801 1 9 . 1 1 88 88 TYR CB C 100 38.809 38.809 38.511 0.298 17614 9802 1 9 . 1 1 88 88 TYR H H 100 8.207 8.207 8.055 0.152 17614 9803 1 9 . 1 1 89 89 ASP N N 101 118.460 118.460 118.008 0.452 17614 9804 1 9 . 1 1 89 89 ASP C C 101 178.939 178.939 178.520 0.419 17614 9805 1 9 . 1 1 89 89 ASP CA C 101 57.797 57.797 57.408 0.389 17614 9806 1 9 . 1 1 89 89 ASP CB C 101 40.498 40.498 40.615 -0.117 17614 9807 1 9 . 1 1 89 89 ASP H H 101 8.401 8.401 8.537 -0.136 17614 9808 1 9 . 1 1 90 90 SER N N 102 116.022 116.022 115.237 0.785 17614 9809 1 9 . 1 1 90 90 SER C C 102 176.005 176.005 176.273 -0.268 17614 9810 1 9 . 1 1 90 90 SER CA C 102 62.791 62.791 61.424 1.367 17614 9811 1 9 . 1 1 90 90 SER CB C 102 64.211 64.211 63.194 1.017 17614 9812 1 9 . 1 1 90 90 SER H H 102 7.854 7.854 7.683 0.171 17614 9813 1 9 . 1 1 91 91 VAL N N 103 120.844 120.844 121.188 -0.344 17614 9814 1 9 . 1 1 91 91 VAL C C 103 177.307 177.307 177.460 -0.153 17614 9815 1 9 . 1 1 91 91 VAL CA C 103 66.510 66.510 65.560 0.950 17614 9816 1 9 . 1 1 91 91 VAL CB C 103 31.965 31.965 31.495 0.470 17614 9817 1 9 . 1 1 91 91 VAL H H 103 7.926 7.926 7.671 0.255 17614 9818 1 9 . 1 1 92 92 LYS N N 104 120.468 120.468 119.427 1.041 17614 9819 1 9 . 1 1 92 92 LYS C C 104 178.861 178.861 179.001 -0.140 17614 9820 1 9 . 1 1 92 92 LYS CA C 104 60.184 60.184 59.346 0.838 17614 9821 1 9 . 1 1 92 92 LYS CB C 104 31.979 31.979 31.792 0.187 17614 9822 1 9 . 1 1 92 92 LYS H H 104 8.127 8.127 8.020 0.107 17614 9823 1 9 . 1 1 93 93 GLN N N 105 118.386 118.386 116.939 1.447 17614 9824 1 9 . 1 1 93 93 GLN C C 105 177.540 177.540 177.757 -0.217 17614 9825 1 9 . 1 1 93 93 GLN CA C 105 58.786 58.786 57.385 1.401 17614 9826 1 9 . 1 1 93 93 GLN CB C 105 28.377 28.377 28.649 -0.272 17614 9827 1 9 . 1 1 93 93 GLN H H 105 7.841 7.841 7.728 0.113 17614 9828 1 9 . 1 1 94 94 PHE N N 106 119.471 119.471 117.906 1.565 17614 9829 1 9 . 1 1 94 94 PHE C C 106 176.531 176.531 175.457 1.074 17614 9830 1 9 . 1 1 94 94 PHE CA C 106 60.593 60.593 60.241 0.352 17614 9831 1 9 . 1 1 94 94 PHE CB C 106 39.459 39.459 39.286 0.173 17614 9832 1 9 . 1 1 94 94 PHE H H 106 7.772 7.772 7.471 0.301 17614 9833 1 9 . 1 1 95 95 TYR N N 107 118.288 118.288 113.099 5.189 17614 9834 1 9 . 1 1 95 95 TYR C C 107 176.220 176.220 176.647 -0.427 17614 9835 1 9 . 1 1 95 95 TYR CA C 107 60.543 60.543 57.953 2.591 17614 9836 1 9 . 1 1 95 95 TYR CB C 107 38.819 38.819 40.413 -1.594 17614 9837 1 9 . 1 1 95 95 TYR H H 107 8.045 8.045 7.372 0.673 17614 9838 1 9 . 1 1 96 96 THR N N 108 113.383 113.383 112.104 1.279 17614 9839 1 9 . 1 1 96 96 THR C C 108 175.288 175.288 175.212 0.076 17614 9840 1 9 . 1 1 96 96 THR CA C 108 64.094 64.094 62.035 2.059 17614 9841 1 9 . 1 1 96 96 THR CB C 108 69.986 69.986 68.777 1.209 17614 9842 1 9 . 1 1 96 96 THR H H 108 7.868 7.868 7.577 0.291 17614 9843 1 9 . 1 1 101 101 HIS C C 113 173.413 173.413 174.303 -0.890 17614 9844 1 9 . 1 1 101 101 HIS H H 113 7.968 7.968 8.642 -0.674 17614 9845 1 9 . 1 1 102 102 ALA N N 114 119.456 119.456 124.715 -5.259 17614 9846 1 9 . 1 1 102 102 ALA C C 114 177.851 177.851 176.306 1.545 17614 9847 1 9 . 1 1 102 102 ALA CA C 114 53.283 53.283 52.303 0.980 17614 9848 1 9 . 1 1 102 102 ALA CB C 114 19.362 19.362 19.275 0.087 17614 9849 1 9 . 1 1 102 102 ALA H H 114 8.433 8.433 7.907 0.526 17614 9850 1 9 . 1 1 103 103 GLY N N 115 108.484 108.484 106.116 2.368 17614 9851 1 9 . 1 1 103 103 GLY C C 115 174.822 174.822 175.011 -0.189 17614 9852 1 9 . 1 1 103 103 GLY CA C 115 45.968 45.968 44.940 1.028 17614 9853 1 9 . 1 1 103 103 GLY H H 115 8.250 8.250 8.154 0.096 17614 9854 1 9 . 1 1 104 104 ILE N N 116 121.139 121.139 121.782 -0.643 17614 9855 1 9 . 1 1 104 104 ILE C C 116 176.841 176.841 177.774 -0.933 17614 9856 1 9 . 1 1 104 104 ILE CA C 116 63.160 63.160 63.230 -0.070 17614 9857 1 9 . 1 1 104 104 ILE CB C 116 38.853 38.853 37.311 1.542 17614 9858 1 9 . 1 1 104 104 ILE H H 116 8.127 8.127 8.133 -0.006 17614 9859 1 9 . 1 1 105 105 GLY N N 117 110.863 110.863 107.301 3.562 17614 9860 1 9 . 1 1 105 105 GLY C C 117 174.588 174.588 176.569 -1.981 17614 9861 1 9 . 1 1 105 105 GLY CA C 117 46.791 46.791 47.316 -0.525 17614 9862 1 9 . 1 1 105 105 GLY H H 117 8.509 8.509 8.385 0.124 17614 9863 1 9 . 1 1 106 106 SER N N 118 116.069 116.069 117.414 -1.345 17614 9864 1 9 . 1 1 106 106 SER C C 118 175.754 175.754 176.870 -1.116 17614 9865 1 9 . 1 1 106 106 SER CA C 118 60.319 60.319 61.700 -1.381 17614 9866 1 9 . 1 1 106 106 SER CB C 118 63.864 63.864 62.945 0.919 17614 9867 1 9 . 1 1 106 106 SER H H 118 7.991 7.991 8.090 -0.099 17614 9868 1 9 . 1 1 107 107 ARG N N 119 122.134 122.134 121.046 1.088 17614 9869 1 9 . 1 1 107 107 ARG C C 119 178.228 178.228 178.772 -0.544 17614 9870 1 9 . 1 1 107 107 ARG CA C 119 57.787 57.787 59.764 -1.977 17614 9871 1 9 . 1 1 107 107 ARG CB C 119 30.549 30.549 30.201 0.348 17614 9872 1 9 . 1 1 107 107 ARG H H 119 7.963 7.963 8.368 -0.405 17614 9873 1 9 . 1 1 108 108 LEU N N 120 120.403 120.403 121.231 -0.828 17614 9874 1 9 . 1 1 108 108 LEU C C 120 177.230 177.230 179.245 -2.015 17614 9875 1 9 . 1 1 108 108 LEU CA C 120 57.967 57.967 58.825 -0.858 17614 9876 1 9 . 1 1 108 108 LEU CB C 120 42.146 42.146 41.768 0.378 17614 9877 1 9 . 1 1 108 108 LEU H H 120 7.914 7.914 7.662 0.252 17614 9878 1 9 . 1 1 109 109 LEU N N 121 118.960 118.960 119.518 -0.558 17614 9879 1 9 . 1 1 109 109 LEU C C 121 177.152 177.152 179.050 -1.898 17614 9880 1 9 . 1 1 109 109 LEU CA C 121 55.495 55.495 58.230 -2.735 17614 9881 1 9 . 1 1 109 109 LEU CB C 121 42.238 42.238 41.149 1.089 17614 9882 1 9 . 1 1 109 109 LEU H H 121 7.718 7.718 8.299 -0.581 17614 9883 1 9 . 1 1 110 110 ALA N N 122 123.063 123.063 122.186 0.877 17614 9884 1 9 . 1 1 110 110 ALA C C 122 178.317 178.317 180.195 -1.878 17614 9885 1 9 . 1 1 110 110 ALA CA C 122 53.358 53.358 55.175 -1.817 17614 9886 1 9 . 1 1 110 110 ALA CB C 122 19.218 19.218 18.526 0.692 17614 9887 1 9 . 1 1 110 110 ALA H H 122 7.745 7.745 8.972 -1.227 17614 9888 1 9 . 1 1 111 111 GLY N N 123 107.843 107.843 106.833 1.010 17614 9889 1 9 . 1 1 111 111 GLY C C 123 176.912 176.912 176.675 0.237 17614 9890 1 9 . 1 1 111 111 GLY CA C 123 45.943 45.943 47.347 -1.404 17614 9891 1 9 . 1 1 111 111 GLY H H 123 8.113 8.113 8.986 -0.873 17614 9892 1 9 . 1 1 112 112 SER N N 124 116.105 116.105 118.101 -1.996 17614 9893 1 9 . 1 1 112 112 SER C C 124 175.574 175.574 176.964 -1.390 17614 9894 1 9 . 1 1 112 112 SER CA C 124 59.145 59.145 62.214 -3.069 17614 9895 1 9 . 1 1 112 112 SER CB C 124 64.211 64.211 63.014 1.197 17614 9896 1 9 . 1 1 112 112 SER H H 124 8.109 8.109 8.596 -0.487 17614 9897 1 9 . 1 1 113 113 THR N N 125 116.069 116.069 115.009 1.060 17614 9898 1 9 . 1 1 113 113 THR C C 125 176.055 176.055 176.884 -0.829 17614 9899 1 9 . 1 1 113 113 THR CA C 125 66.921 66.921 65.959 0.962 17614 9900 1 9 . 1 1 113 113 THR CB C 125 69.682 69.682 68.750 0.932 17614 9901 1 9 . 1 1 113 113 THR H H 125 8.086 8.086 8.480 -0.394 17614 9902 1 9 . 1 1 114 114 THR N N 126 115.439 115.439 115.697 -0.258 17614 9903 1 9 . 1 1 114 114 THR C C 126 177.443 177.443 176.738 0.705 17614 9904 1 9 . 1 1 114 114 THR CA C 126 65.285 65.285 66.217 -0.932 17614 9905 1 9 . 1 1 114 114 THR CB C 126 68.364 68.364 67.984 0.380 17614 9906 1 9 . 1 1 114 114 THR H H 126 7.977 7.977 8.445 -0.468 17614 9907 1 9 . 1 1 115 115 GLY N N 127 115.453 115.453 109.587 5.866 17614 9908 1 9 . 1 1 115 115 GLY C C 127 174.215 174.215 175.101 -0.886 17614 9909 1 9 . 1 1 115 115 GLY CA C 127 46.117 46.117 46.776 -0.659 17614 9910 1 9 . 1 1 115 115 GLY H H 127 8.168 8.168 8.179 -0.011 17614 9911 1 9 . 1 1 116 116 ALA N N 128 123.952 123.952 124.580 -0.628 17614 9912 1 9 . 1 1 116 116 ALA C C 128 178.162 178.162 179.822 -1.660 17614 9913 1 9 . 1 1 116 116 ALA CA C 128 53.349 53.349 54.680 -1.331 17614 9914 1 9 . 1 1 116 116 ALA CB C 128 19.099 19.099 18.290 0.809 17614 9915 1 9 . 1 1 116 116 ALA H H 128 7.919 7.919 7.468 0.451 17614 9916 1 9 . 1 1 117 117 LEU N N 129 120.025 120.025 118.730 1.295 17614 9917 1 9 . 1 1 117 117 LEU C C 129 177.949 177.949 178.968 -1.019 17614 9918 1 9 . 1 1 117 117 LEU CA C 129 56.019 56.019 57.453 -1.434 17614 9919 1 9 . 1 1 117 117 LEU CB C 129 42.340 42.340 41.876 0.464 17614 9920 1 9 . 1 1 117 117 LEU H H 129 7.936 7.936 7.603 0.333 17614 9921 1 9 . 1 1 118 118 ALA N N 130 123.402 123.402 121.263 2.139 17614 9922 1 9 . 1 1 118 118 ALA C C 130 177.929 177.929 179.441 -1.512 17614 9923 1 9 . 1 1 118 118 ALA CA C 130 53.283 53.283 55.225 -1.942 17614 9924 1 9 . 1 1 118 118 ALA CB C 130 18.964 18.964 18.317 0.647 17614 9925 1 9 . 1 1 118 118 ALA H H 130 7.868 7.868 8.097 -0.229 17614 9926 1 9 . 1 1 119 119 VAL N N 131 118.111 118.111 115.786 2.325 17614 9927 1 9 . 1 1 119 119 VAL C C 131 176.025 176.025 177.650 -1.625 17614 9928 1 9 . 1 1 119 119 VAL CA C 131 63.180 63.180 64.722 -1.542 17614 9929 1 9 . 1 1 119 119 VAL CB C 131 32.898 32.898 31.057 1.841 17614 9930 1 9 . 1 1 119 119 VAL H H 131 7.636 7.636 7.866 -0.230 17614 9931 1 9 . 1 1 120 120 ALA N N 132 124.047 124.047 122.418 1.629 17614 9932 1 9 . 1 1 120 120 ALA C C 132 179.008 179.008 178.837 0.171 17614 9933 1 9 . 1 1 120 120 ALA CA C 132 53.707 53.707 54.676 -0.969 17614 9934 1 9 . 1 1 120 120 ALA CB C 132 19.150 19.150 18.740 0.410 17614 9935 1 9 . 1 1 120 120 ALA H H 132 7.911 7.911 7.598 0.313 17614 9936 1 9 . 1 1 121 121 VAL N N 133 113.349 113.349 116.357 -3.008 17614 9937 1 9 . 1 1 121 121 VAL C C 133 175.527 175.527 176.470 -0.943 17614 9938 1 9 . 1 1 121 121 VAL CA C 133 64.115 64.115 63.302 0.813 17614 9939 1 9 . 1 1 121 121 VAL CB C 133 31.832 31.832 32.322 -0.490 17614 9940 1 9 . 1 1 121 121 VAL H H 133 7.094 7.094 7.386 -0.292 17614 9941 1 9 . 1 1 122 122 ALA N N 134 123.224 123.224 121.906 1.318 17614 9942 1 9 . 1 1 122 122 ALA CA C 134 55.493 55.493 51.205 4.288 17614 9943 1 9 . 1 1 122 122 ALA H H 134 7.586 7.586 7.601 -0.015 17614 9944 1 9 . 1 1 124 124 PRO C C 136 177.074 177.074 178.820 -1.746 17614 9945 1 9 . 1 1 125 125 THR N N 137 113.281 113.281 110.277 3.004 17614 9946 1 9 . 1 1 125 125 THR C C 137 174.485 174.485 176.306 -1.821 17614 9947 1 9 . 1 1 125 125 THR CA C 137 64.496 64.496 66.144 -1.647 17614 9948 1 9 . 1 1 125 125 THR CB C 137 69.997 69.997 68.569 1.428 17614 9949 1 9 . 1 1 125 125 THR H H 137 7.963 7.963 8.125 -0.162 17614 9950 1 9 . 1 1 126 126 ASP N N 138 122.770 122.770 121.023 1.747 17614 9951 1 9 . 1 1 126 126 ASP C C 138 178.458 178.458 178.409 0.049 17614 9952 1 9 . 1 1 126 126 ASP CA C 138 56.776 56.776 57.236 -0.460 17614 9953 1 9 . 1 1 126 126 ASP CB C 138 41.023 41.023 40.893 0.130 17614 9954 1 9 . 1 1 126 126 ASP H H 138 8.094 8.094 7.800 0.294 17614 9955 1 9 . 1 1 127 127 VAL N N 139 119.931 119.931 117.509 2.422 17614 9956 1 9 . 1 1 127 127 VAL C C 139 177.502 177.502 178.013 -0.511 17614 9957 1 9 . 1 1 127 127 VAL CA C 139 66.455 66.455 66.080 0.375 17614 9958 1 9 . 1 1 127 127 VAL CB C 139 32.804 32.804 30.936 1.868 17614 9959 1 9 . 1 1 127 127 VAL H H 139 7.753 7.753 7.533 0.220 17614 9960 1 9 . 1 1 128 128 VAL N N 140 120.539 120.539 121.683 -1.144 17614 9961 1 9 . 1 1 128 128 VAL C C 140 176.232 176.232 178.202 -1.970 17614 9962 1 9 . 1 1 128 128 VAL CA C 140 66.770 66.770 66.781 -0.011 17614 9963 1 9 . 1 1 128 128 VAL CB C 140 32.086 32.086 31.389 0.697 17614 9964 1 9 . 1 1 128 128 VAL H H 140 8.295 8.295 7.863 0.432 17614 9965 1 9 . 1 1 129 129 LYS N N 141 120.122 120.122 119.868 0.254 17614 9966 1 9 . 1 1 129 129 LYS C C 141 176.120 176.120 179.020 -2.900 17614 9967 1 9 . 1 1 129 129 LYS CA C 141 55.991 55.991 59.924 -3.933 17614 9968 1 9 . 1 1 129 129 LYS CB C 141 31.712 31.712 32.210 -0.498 17614 9969 1 9 . 1 1 129 129 LYS H H 141 7.698 7.698 7.789 -0.091 17614 9970 1 9 . 1 1 130 130 VAL N N 142 120.104 120.104 119.729 0.375 17614 9971 1 9 . 1 1 130 130 VAL CA C 142 63.230 63.230 65.550 -2.320 17614 9972 1 9 . 1 1 130 130 VAL H H 142 7.772 7.772 7.425 0.347 17614 9973 1 9 . 1 1 131 131 ARG C C 143 178.401 178.401 178.469 -0.068 17614 9974 1 9 . 1 1 131 131 ARG H H 143 7.999 7.999 7.735 0.264 17614 9975 1 9 . 1 1 132 132 PHE N N 144 120.445 120.445 119.437 1.008 17614 9976 1 9 . 1 1 132 132 PHE C C 144 177.856 177.856 176.349 1.507 17614 9977 1 9 . 1 1 132 132 PHE CA C 144 61.438 61.438 60.891 0.547 17614 9978 1 9 . 1 1 132 132 PHE H H 144 8.395 8.395 8.534 -0.139 17614 9979 1 9 . 1 1 133 133 GLN N N 145 124.180 124.180 116.604 7.576 17614 9980 1 9 . 1 1 133 133 GLN C C 145 174.844 174.844 177.455 -2.611 17614 9981 1 9 . 1 1 133 133 GLN CA C 145 56.414 56.414 57.692 -1.278 17614 9982 1 9 . 1 1 133 133 GLN CB C 145 30.721 30.721 28.979 1.742 17614 9983 1 9 . 1 1 133 133 GLN H H 145 8.094 8.094 7.771 0.323 17614 9984 1 9 . 1 1 134 134 ALA N N 146 120.452 120.452 119.989 0.463 17614 9985 1 9 . 1 1 134 134 ALA C C 146 177.929 177.929 177.700 0.229 17614 9986 1 9 . 1 1 134 134 ALA CA C 146 53.483 53.483 53.248 0.235 17614 9987 1 9 . 1 1 134 134 ALA CB C 146 18.431 18.431 19.066 -0.635 17614 9988 1 9 . 1 1 134 134 ALA H H 146 7.939 7.939 7.384 0.555 17614 9989 1 9 . 1 1 135 135 GLN N N 147 119.388 119.388 118.431 0.957 17614 9990 1 9 . 1 1 135 135 GLN C C 147 176.029 176.029 175.045 0.984 17614 9991 1 9 . 1 1 135 135 GLN CA C 147 56.339 56.339 55.785 0.554 17614 9992 1 9 . 1 1 135 135 GLN CB C 147 29.444 29.444 28.119 1.325 17614 9993 1 9 . 1 1 135 135 GLN H H 147 8.072 8.072 7.465 0.607 17614 9994 1 9 . 1 1 136 136 ALA N N 148 125.199 125.199 128.512 -3.313 17614 9995 1 9 . 1 1 136 136 ALA C C 148 177.766 177.766 177.609 0.157 17614 9996 1 9 . 1 1 136 136 ALA CA C 148 53.108 53.108 52.790 0.318 17614 9997 1 9 . 1 1 136 136 ALA CB C 148 19.151 19.151 19.204 -0.053 17614 9998 1 9 . 1 1 136 136 ALA H H 148 8.055 8.055 8.136 -0.081 17614 9999 1 9 . 1 1 137 137 ARG N N 149 120.208 120.208 120.823 -0.615 17614 10000 1 9 . 1 1 137 137 ARG CA C 149 56.414 56.414 55.772 0.642 17614 10001 1 9 . 1 1 137 137 ARG CB C 149 30.749 30.749 29.866 0.883 17614 10002 1 9 . 1 1 137 137 ARG H H 149 8.018 8.018 8.157 -0.139 17614 10003 1 9 . 1 1 147 147 THR C C 159 175.928 175.928 176.445 -0.517 17614 10004 1 9 . 1 1 148 148 VAL N N 160 118.321 118.321 120.553 -2.232 17614 10005 1 9 . 1 1 148 148 VAL C C 160 177.749 177.749 177.903 -0.154 17614 10006 1 9 . 1 1 148 148 VAL CA C 160 64.126 64.126 65.830 -1.704 17614 10007 1 9 . 1 1 148 148 VAL CB C 160 31.343 31.343 30.946 0.397 17614 10008 1 9 . 1 1 148 148 VAL H H 160 8.073 8.073 7.928 0.145 17614 10009 1 9 . 1 1 149 149 GLU N N 161 122.379 122.379 120.228 2.151 17614 10010 1 9 . 1 1 149 149 GLU C C 161 178.783 178.783 178.335 0.448 17614 10011 1 9 . 1 1 149 149 GLU CA C 161 59.550 59.550 59.097 0.453 17614 10012 1 9 . 1 1 149 149 GLU CB C 161 29.597 29.597 28.899 0.698 17614 10013 1 9 . 1 1 149 149 GLU H H 161 8.204 8.204 7.732 0.472 17614 10014 1 9 . 1 1 150 150 ALA N N 162 122.845 122.845 123.718 -0.873 17614 10015 1 9 . 1 1 150 150 ALA C C 162 179.948 179.948 179.500 0.448 17614 10016 1 9 . 1 1 150 150 ALA CA C 162 55.181 55.181 55.008 0.173 17614 10017 1 9 . 1 1 150 150 ALA CB C 162 18.154 18.154 18.438 -0.284 17614 10018 1 9 . 1 1 150 150 ALA H H 162 7.786 7.786 7.734 0.052 17614 10019 1 9 . 1 1 151 151 TYR N N 163 118.902 118.902 119.528 -0.626 17614 10020 1 9 . 1 1 151 151 TYR C C 163 177.273 177.273 177.791 -0.518 17614 10021 1 9 . 1 1 151 151 TYR CA C 163 61.068 61.068 61.686 -0.618 17614 10022 1 9 . 1 1 151 151 TYR CB C 163 37.898 37.898 38.620 -0.722 17614 10023 1 9 . 1 1 151 151 TYR H H 163 7.922 7.922 8.022 -0.100 17614 10024 1 9 . 1 1 152 152 LYS N N 164 119.939 119.939 118.301 1.638 17614 10025 1 9 . 1 1 152 152 LYS C C 164 178.239 178.239 179.106 -0.867 17614 10026 1 9 . 1 1 152 152 LYS CA C 164 60.309 60.309 59.642 0.667 17614 10027 1 9 . 1 1 152 152 LYS CB C 164 32.504 32.504 32.698 -0.194 17614 10028 1 9 . 1 1 152 152 LYS H H 164 8.223 8.223 7.682 0.541 17614 10029 1 9 . 1 1 153 153 THR N N 165 115.262 115.262 112.634 2.628 17614 10030 1 9 . 1 1 153 153 THR C C 165 175.676 175.676 176.614 -0.938 17614 10031 1 9 . 1 1 153 153 THR CA C 165 66.516 66.516 65.899 0.617 17614 10032 1 9 . 1 1 153 153 THR CB C 165 69.367 69.367 68.758 0.609 17614 10033 1 9 . 1 1 153 153 THR H H 165 7.745 7.745 7.795 -0.050 17614 10034 1 9 . 1 1 154 154 ILE N N 166 121.571 121.571 117.712 3.859 17614 10035 1 9 . 1 1 154 154 ILE C C 166 177.307 177.307 177.063 0.244 17614 10036 1 9 . 1 1 154 154 ILE CA C 166 64.634 64.634 64.188 0.446 17614 10037 1 9 . 1 1 154 154 ILE CB C 166 38.896 38.896 37.086 1.810 17614 10038 1 9 . 1 1 154 154 ILE H H 166 7.540 7.540 7.270 0.270 17614 10039 1 9 . 1 1 155 155 ALA N N 167 121.983 121.983 123.525 -1.542 17614 10040 1 9 . 1 1 155 155 ALA C C 167 178.395 178.395 180.194 -1.799 17614 10041 1 9 . 1 1 155 155 ALA CA C 167 54.656 54.656 54.623 0.033 17614 10042 1 9 . 1 1 155 155 ALA CB C 167 18.486 18.486 18.100 0.386 17614 10043 1 9 . 1 1 155 155 ALA H H 167 8.059 8.059 7.559 0.500 17614 10044 1 9 . 1 1 156 156 ARG N N 168 116.369 116.369 118.604 -2.235 17614 10045 1 9 . 1 1 156 156 ARG C C 168 177.307 177.307 178.445 -1.138 17614 10046 1 9 . 1 1 156 156 ARG CA C 168 58.486 58.486 59.246 -0.760 17614 10047 1 9 . 1 1 156 156 ARG CB C 168 30.930 30.930 30.170 0.760 17614 10048 1 9 . 1 1 156 156 ARG H H 168 7.690 7.690 7.721 -0.031 17614 10049 1 9 . 1 1 157 157 GLU N N 169 118.667 118.667 117.623 1.044 17614 10050 1 9 . 1 1 157 157 GLU C C 169 177.696 177.696 178.446 -0.750 17614 10051 1 9 . 1 1 157 157 GLU CA C 169 58.212 58.212 58.068 0.144 17614 10052 1 9 . 1 1 157 157 GLU CB C 169 30.357 30.357 29.605 0.752 17614 10053 1 9 . 1 1 157 157 GLU H H 169 8.045 8.045 7.654 0.391 17614 10054 1 9 . 1 1 158 158 GLU N N 170 118.202 118.202 118.978 -0.776 17614 10055 1 9 . 1 1 158 158 GLU C C 170 177.878 177.878 177.396 0.482 17614 10056 1 9 . 1 1 158 158 GLU CA C 170 57.363 57.363 56.756 0.607 17614 10057 1 9 . 1 1 158 158 GLU CB C 170 31.277 31.277 30.803 0.474 17614 10058 1 9 . 1 1 158 158 GLU H H 170 8.550 8.550 8.440 0.110 17614 10059 1 9 . 1 1 159 159 GLY N N 171 108.941 108.941 107.745 1.196 17614 10060 1 9 . 1 1 159 159 GLY C C 171 174.433 174.433 175.318 -0.885 17614 10061 1 9 . 1 1 159 159 GLY CA C 171 45.193 45.193 44.611 0.582 17614 10062 1 9 . 1 1 159 159 GLY H H 171 7.881 7.881 7.715 0.166 17614 10063 1 9 . 1 1 160 160 ILE N N 172 120.842 120.842 117.304 3.538 17614 10064 1 9 . 1 1 160 160 ILE C C 172 176.997 176.997 177.595 -0.598 17614 10065 1 9 . 1 1 160 160 ILE CA C 172 63.810 63.810 63.579 0.231 17614 10066 1 9 . 1 1 160 160 ILE CB C 172 38.516 38.516 37.746 0.770 17614 10067 1 9 . 1 1 160 160 ILE H H 172 8.550 8.550 8.398 0.152 17614 10068 1 9 . 1 1 161 161 ARG N N 173 119.480 119.480 121.136 -1.656 17614 10069 1 9 . 1 1 161 161 ARG C C 173 178.084 178.084 178.868 -0.784 17614 10070 1 9 . 1 1 161 161 ARG CA C 173 58.711 58.711 59.154 -0.443 17614 10071 1 9 . 1 1 161 161 ARG CB C 173 29.796 29.796 29.581 0.215 17614 10072 1 9 . 1 1 161 161 ARG H H 173 8.277 8.277 8.604 -0.327 17614 10073 1 9 . 1 1 162 162 GLY N N 174 106.379 106.379 106.816 -0.437 17614 10074 1 9 . 1 1 162 162 GLY C C 174 175.210 175.210 175.780 -0.570 17614 10075 1 9 . 1 1 162 162 GLY CA C 174 46.767 46.767 46.541 0.226 17614 10076 1 9 . 1 1 162 162 GLY H H 174 7.690 7.690 7.892 -0.202 17614 10077 1 9 . 1 1 163 163 LEU N N 175 120.664 120.664 120.645 0.019 17614 10078 1 9 . 1 1 163 163 LEU C C 175 177.971 177.971 178.190 -0.219 17614 10079 1 9 . 1 1 163 163 LEU CA C 175 57.104 57.104 56.590 0.514 17614 10080 1 9 . 1 1 163 163 LEU CB C 175 42.559 42.559 41.441 1.117 17614 10081 1 9 . 1 1 163 163 LEU H H 175 7.554 7.554 7.124 0.430 17614 10082 1 9 . 1 1 164 164 TRP N N 176 117.031 117.031 116.504 0.527 17614 10083 1 9 . 1 1 164 164 TRP C C 176 176.987 176.987 177.989 -1.002 17614 10084 1 9 . 1 1 164 164 TRP CA C 176 57.672 57.672 57.134 0.538 17614 10085 1 9 . 1 1 164 164 TRP CB C 176 29.796 29.796 28.824 0.972 17614 10086 1 9 . 1 1 164 164 TRP H H 176 7.499 7.499 7.675 -0.176 17614 10087 1 9 . 1 1 165 165 LYS N N 177 120.567 120.567 119.980 0.587 17614 10088 1 9 . 1 1 165 165 LYS C C 177 177.152 177.152 177.747 -0.595 17614 10089 1 9 . 1 1 165 165 LYS CA C 177 57.712 57.712 59.439 -1.727 17614 10090 1 9 . 1 1 165 165 LYS CB C 177 32.890 32.890 32.146 0.744 17614 10091 1 9 . 1 1 165 165 LYS H H 177 7.595 7.595 7.484 0.111 17614 10092 1 9 . 1 1 166 166 GLY N N 178 108.667 108.667 103.195 5.472 17614 10093 1 9 . 1 1 166 166 GLY C C 178 174.045 174.045 176.080 -2.035 17614 10094 1 9 . 1 1 166 166 GLY CA C 178 45.893 45.893 45.686 0.207 17614 10095 1 9 . 1 1 166 166 GLY H H 178 7.881 7.881 8.048 -0.167 17614 10096 1 9 . 1 1 167 167 THR N N 179 115.080 115.080 118.891 -3.811 17614 10097 1 9 . 1 1 167 167 THR C C 179 175.192 175.192 176.635 -1.443 17614 10098 1 9 . 1 1 167 167 THR CA C 179 66.521 66.521 67.589 -1.068 17614 10099 1 9 . 1 1 167 167 THR CB C 179 70.079 70.079 68.709 1.370 17614 10100 1 9 . 1 1 167 167 THR H H 179 7.622 7.622 8.087 -0.465 17614 10101 1 9 . 1 1 168 168 SER N N 180 117.754 117.754 116.070 1.684 17614 10102 1 9 . 1 1 168 168 SER CA C 180 63.123 63.123 62.819 0.304 17614 10103 1 9 . 1 1 168 168 SER CB C 180 62.045 62.045 61.530 0.515 17614 10104 1 9 . 1 1 168 168 SER H H 180 8.195 8.195 7.941 0.254 17614 10105 1 9 . 1 1 170 170 ASN C C 182 177.348 177.348 177.679 -0.331 17614 10106 1 9 . 1 1 171 171 VAL N N 183 118.118 118.118 120.403 -2.285 17614 10107 1 9 . 1 1 171 171 VAL C C 183 176.944 176.944 176.923 0.021 17614 10108 1 9 . 1 1 171 171 VAL CA C 183 65.244 65.244 65.839 -0.595 17614 10109 1 9 . 1 1 171 171 VAL CB C 183 32.508 32.508 31.681 0.827 17614 10110 1 9 . 1 1 171 171 VAL H H 183 7.861 7.861 7.700 0.161 17614 10111 1 9 . 1 1 172 172 ALA N N 184 122.284 122.284 121.434 0.850 17614 10112 1 9 . 1 1 172 172 ALA C C 184 178.317 178.317 179.099 -0.782 17614 10113 1 9 . 1 1 172 172 ALA CA C 184 55.339 55.339 55.217 0.122 17614 10114 1 9 . 1 1 172 172 ALA CB C 184 28.230 28.230 18.059 10.171 17614 10115 1 9 . 1 1 172 172 ALA H H 184 8.097 8.097 7.589 0.508 17614 10116 1 9 . 1 1 173 173 ARG N N 185 117.321 117.321 119.184 -1.863 17614 10117 1 9 . 1 1 173 173 ARG C C 185 177.527 177.527 178.130 -0.603 17614 10118 1 9 . 1 1 173 173 ARG CA C 185 59.543 59.543 59.770 -0.227 17614 10119 1 9 . 1 1 173 173 ARG CB C 185 29.767 29.767 30.182 -0.415 17614 10120 1 9 . 1 1 173 173 ARG H H 185 7.611 7.611 7.898 -0.287 17614 10121 1 9 . 1 1 174 174 ASN N N 186 117.294 117.294 117.727 -0.433 17614 10122 1 9 . 1 1 174 174 ASN C C 186 176.599 176.599 177.374 -0.775 17614 10123 1 9 . 1 1 174 174 ASN CA C 186 56.659 56.659 56.328 0.331 17614 10124 1 9 . 1 1 174 174 ASN CB C 186 39.454 39.454 38.305 1.149 17614 10125 1 9 . 1 1 174 174 ASN H H 186 8.048 8.048 7.809 0.239 17614 10126 1 9 . 1 1 175 175 ALA N N 187 121.003 121.003 122.571 -1.568 17614 10127 1 9 . 1 1 175 175 ALA C C 187 178.713 178.713 179.684 -0.971 17614 10128 1 9 . 1 1 175 175 ALA CA C 187 55.520 55.520 55.021 0.499 17614 10129 1 9 . 1 1 175 175 ALA CB C 187 18.097 18.097 18.619 -0.522 17614 10130 1 9 . 1 1 175 175 ALA H H 187 7.322 7.322 7.724 -0.402 17614 10131 1 9 . 1 1 176 176 ILE N N 188 119.319 119.319 119.544 -0.225 17614 10132 1 9 . 1 1 176 176 ILE C C 188 176.634 176.634 178.170 -1.536 17614 10133 1 9 . 1 1 176 176 ILE CA C 188 64.225 64.225 63.949 0.276 17614 10134 1 9 . 1 1 176 176 ILE CB C 188 37.658 37.658 36.698 0.960 17614 10135 1 9 . 1 1 176 176 ILE H H 188 7.779 7.779 8.517 -0.738 17614 10136 1 9 . 1 1 177 177 VAL N N 189 117.265 117.265 121.418 -4.153 17614 10137 1 9 . 1 1 177 177 VAL C C 189 177.529 177.529 177.601 -0.072 17614 10138 1 9 . 1 1 177 177 VAL CA C 189 65.562 65.562 66.538 -0.976 17614 10139 1 9 . 1 1 177 177 VAL CB C 189 31.407 31.407 31.366 0.041 17614 10140 1 9 . 1 1 177 177 VAL H H 189 7.776 7.776 8.231 -0.455 17614 10141 1 9 . 1 1 178 178 ASN N N 190 118.736 118.736 118.209 0.527 17614 10142 1 9 . 1 1 178 178 ASN C C 190 176.476 176.476 177.089 -0.613 17614 10143 1 9 . 1 1 178 178 ASN CA C 190 56.813 56.813 56.880 -0.067 17614 10144 1 9 . 1 1 178 178 ASN CB C 190 38.268 38.268 38.387 -0.119 17614 10145 1 9 . 1 1 178 178 ASN H H 190 7.800 7.800 7.684 0.116 17614 10146 1 9 . 1 1 179 179 CYS N N 191 120.152 120.152 118.593 1.559 17614 10147 1 9 . 1 1 179 179 CYS C C 191 175.831 175.831 176.769 -0.938 17614 10148 1 9 . 1 1 179 179 CYS CA C 191 60.293 60.293 63.806 -3.513 17614 10149 1 9 . 1 1 179 179 CYS CB C 191 41.566 41.566 26.365 15.201 17614 10150 1 9 . 1 1 179 179 CYS H H 191 7.784 7.784 8.156 -0.372 17614 10151 1 9 . 1 1 180 180 ALA N N 192 121.963 121.963 122.106 -0.143 17614 10152 1 9 . 1 1 180 180 ALA C C 192 178.395 178.395 179.587 -1.192 17614 10153 1 9 . 1 1 180 180 ALA CA C 192 55.280 55.280 55.359 -0.079 17614 10154 1 9 . 1 1 180 180 ALA CB C 192 18.008 18.008 18.074 -0.066 17614 10155 1 9 . 1 1 180 180 ALA H H 192 8.141 8.141 8.655 -0.514 17614 10156 1 9 . 1 1 181 181 GLU N N 193 114.548 114.548 120.179 -5.631 17614 10157 1 9 . 1 1 181 181 GLU C C 193 176.764 176.764 179.136 -2.372 17614 10158 1 9 . 1 1 181 181 GLU CA C 193 58.262 58.262 58.941 -0.678 17614 10159 1 9 . 1 1 181 181 GLU CB C 193 29.342 29.342 29.609 -0.267 17614 10160 1 9 . 1 1 181 181 GLU H H 193 7.595 7.595 8.334 -0.739 17614 10161 1 9 . 1 1 182 182 LEU N N 194 117.659 117.659 117.355 0.304 17614 10162 1 9 . 1 1 182 182 LEU C C 194 176.904 176.904 178.910 -2.006 17614 10163 1 9 . 1 1 182 182 LEU CA C 194 55.695 55.695 58.343 -2.648 17614 10164 1 9 . 1 1 182 182 LEU CB C 194 41.655 41.655 41.188 0.467 17614 10165 1 9 . 1 1 182 182 LEU H H 194 7.459 7.459 8.052 -0.593 17614 10166 1 9 . 1 1 183 183 VAL N N 195 117.842 117.842 117.827 0.015 17614 10167 1 9 . 1 1 183 183 VAL C C 195 177.150 177.150 177.509 -0.359 17614 10168 1 9 . 1 1 183 183 VAL CA C 195 64.054 64.054 66.081 -2.027 17614 10169 1 9 . 1 1 183 183 VAL CB C 195 31.079 31.079 31.655 -0.576 17614 10170 1 9 . 1 1 183 183 VAL H H 195 7.363 7.363 7.340 0.023 17614 10171 1 9 . 1 1 184 184 THR N N 196 122.439 122.439 115.311 7.128 17614 10172 1 9 . 1 1 184 184 THR C C 196 175.055 175.055 176.452 -1.397 17614 10173 1 9 . 1 1 184 184 THR CA C 196 65.500 65.500 65.929 -0.429 17614 10174 1 9 . 1 1 184 184 THR CB C 196 69.490 69.490 68.573 0.916 17614 10175 1 9 . 1 1 184 184 THR H H 196 7.940 7.940 7.711 0.229 17614 10176 1 9 . 1 1 185 185 TYR N N 197 122.430 122.430 122.665 -0.235 17614 10177 1 9 . 1 1 185 185 TYR C C 197 177.152 177.152 177.238 -0.086 17614 10178 1 9 . 1 1 185 185 TYR CA C 197 61.892 61.892 62.415 -0.523 17614 10179 1 9 . 1 1 185 185 TYR CB C 197 38.085 38.085 38.621 -0.536 17614 10180 1 9 . 1 1 185 185 TYR H H 197 9.123 9.123 8.725 0.398 17614 10181 1 9 . 1 1 186 186 ASP N N 198 117.750 117.750 119.182 -1.432 17614 10182 1 9 . 1 1 186 186 ASP C C 198 177.696 177.696 178.365 -0.669 17614 10183 1 9 . 1 1 186 186 ASP CA C 198 57.822 57.822 57.810 0.012 17614 10184 1 9 . 1 1 186 186 ASP CB C 198 40.500 40.500 40.688 -0.188 17614 10185 1 9 . 1 1 186 186 ASP H H 198 8.263 8.263 7.860 0.403 17614 10186 1 9 . 1 1 187 187 LEU N N 199 120.698 120.698 118.189 2.509 17614 10187 1 9 . 1 1 187 187 LEU C C 199 180.104 180.104 179.189 0.915 17614 10188 1 9 . 1 1 187 187 LEU CA C 199 58.092 58.092 57.467 0.625 17614 10189 1 9 . 1 1 187 187 LEU CB C 199 42.559 42.559 41.734 0.824 17614 10190 1 9 . 1 1 187 187 LEU H H 199 7.636 7.636 7.359 0.277 17614 10191 1 9 . 1 1 188 188 ILE N N 200 121.136 121.136 118.538 2.598 17614 10192 1 9 . 1 1 188 188 ILE C C 200 176.919 176.919 177.214 -0.295 17614 10193 1 9 . 1 1 188 188 ILE CA C 200 65.482 65.482 64.490 0.992 17614 10194 1 9 . 1 1 188 188 ILE CB C 200 37.949 37.949 37.481 0.468 17614 10195 1 9 . 1 1 188 188 ILE H H 200 7.718 7.718 7.400 0.318 17614 10196 1 9 . 1 1 189 189 LYS N N 201 120.587 120.587 118.214 2.373 17614 10197 1 9 . 1 1 189 189 LYS C C 201 177.696 177.696 178.429 -0.733 17614 10198 1 9 . 1 1 189 189 LYS CA C 201 60.683 60.683 59.159 1.524 17614 10199 1 9 . 1 1 189 189 LYS CB C 201 31.809 31.809 32.495 -0.686 17614 10200 1 9 . 1 1 189 189 LYS H H 201 8.291 8.291 7.620 0.671 17614 10201 1 9 . 1 1 190 190 ASP N N 202 117.936 117.936 116.916 1.020 17614 10202 1 9 . 1 1 190 190 ASP C C 202 178.395 178.395 176.608 1.787 17614 10203 1 9 . 1 1 190 190 ASP CA C 202 57.672 57.672 56.306 1.366 17614 10204 1 9 . 1 1 190 190 ASP CB C 202 41.355 41.355 41.276 0.079 17614 10205 1 9 . 1 1 190 190 ASP H H 202 8.182 8.182 7.794 0.388 17614 10206 1 9 . 1 1 191 191 THR N N 203 115.914 115.914 114.920 0.994 17614 10207 1 9 . 1 1 191 191 THR CA C 203 61.190 61.190 62.438 -1.248 17614 10208 1 9 . 1 1 191 191 THR CB C 203 68.738 68.738 69.384 -0.646 17614 10209 1 9 . 1 1 191 191 THR H H 203 7.690 7.690 7.670 0.020 17614 10210 1 9 . 1 1 192 192 LEU C C 204 176.047 176.047 175.158 0.889 17614 10211 1 9 . 1 1 192 192 LEU H H 204 8.051 8.051 8.896 -0.845 17614 10212 1 9 . 1 1 193 193 LEU N N 205 118.768 118.768 116.963 1.805 17614 10213 1 9 . 1 1 193 193 LEU C C 205 179.871 179.871 176.538 3.333 17614 10214 1 9 . 1 1 193 193 LEU CA C 205 55.867 55.867 54.318 1.549 17614 10215 1 9 . 1 1 193 193 LEU CB C 205 41.887 41.887 41.664 0.223 17614 10216 1 9 . 1 1 193 193 LEU H H 205 7.977 7.977 7.754 0.223 17614 10217 1 9 . 1 1 194 194 LYS N N 206 119.775 119.775 119.386 0.389 17614 10218 1 9 . 1 1 194 194 LYS C C 206 177.318 177.318 177.077 0.241 17614 10219 1 9 . 1 1 194 194 LYS CA C 206 58.461 58.461 57.909 0.552 17614 10220 1 9 . 1 1 194 194 LYS CB C 206 32.734 32.734 32.706 0.028 17614 10221 1 9 . 1 1 194 194 LYS H H 206 7.677 7.677 8.146 -0.469 17614 10222 1 9 . 1 1 195 195 ALA N N 207 120.757 120.757 120.930 -0.173 17614 10223 1 9 . 1 1 195 195 ALA C C 207 176.531 176.531 176.167 0.364 17614 10224 1 9 . 1 1 195 195 ALA CA C 207 53.083 53.083 52.655 0.428 17614 10225 1 9 . 1 1 195 195 ALA CB C 207 18.960 18.960 19.621 -0.661 17614 10226 1 9 . 1 1 195 195 ALA H H 207 7.565 7.565 8.081 -0.516 17614 10227 1 9 . 1 1 196 196 ASN N N 208 115.463 115.463 113.268 2.195 17614 10228 1 9 . 1 1 196 196 ASN C C 208 174.822 174.822 174.411 0.411 17614 10229 1 9 . 1 1 196 196 ASN CA C 208 54.351 54.351 52.588 1.763 17614 10230 1 9 . 1 1 196 196 ASN CB C 208 38.160 38.160 38.345 -0.185 17614 10231 1 9 . 1 1 196 196 ASN H H 208 7.936 7.936 7.644 0.292 17614 10232 1 9 . 1 1 200 200 ASP C C 212 174.735 174.735 175.533 -0.798 17614 10233 1 9 . 1 1 201 201 ASP N N 213 116.363 116.363 122.899 -6.536 17614 10234 1 9 . 1 1 201 201 ASP C C 213 175.553 175.553 175.679 -0.126 17614 10235 1 9 . 1 1 201 201 ASP CA C 213 54.890 54.890 53.359 1.531 17614 10236 1 9 . 1 1 201 201 ASP CB C 213 38.846 38.846 39.795 -0.949 17614 10237 1 9 . 1 1 201 201 ASP H H 213 8.129 8.129 7.831 0.298 17614 10238 1 9 . 1 1 202 202 LEU N N 214 119.486 119.486 122.951 -3.465 17614 10239 1 9 . 1 1 202 202 LEU CA C 214 59.766 59.766 59.342 0.424 17614 10240 1 9 . 1 1 202 202 LEU CB C 214 39.579 39.579 39.351 0.228 17614 10241 1 9 . 1 1 202 202 LEU H H 214 7.821 7.821 8.148 -0.327 17614 10242 1 9 . 1 1 203 203 PRO C C 215 177.971 177.971 179.098 -1.127 17614 10243 1 9 . 1 1 203 203 PRO CA C 215 65.938 65.938 65.783 0.155 17614 10244 1 9 . 1 1 203 203 PRO CB C 215 30.006 30.006 31.028 -1.022 17614 10245 1 9 . 1 1 204 204 CYS N N 216 114.211 114.211 115.161 -0.950 17614 10246 1 9 . 1 1 204 204 CYS C C 216 176.142 176.142 177.357 -1.215 17614 10247 1 9 . 1 1 204 204 CYS CA C 216 58.773 58.773 63.271 -4.498 17614 10248 1 9 . 1 1 204 204 CYS CB C 216 40.906 40.906 27.111 13.795 17614 10249 1 9 . 1 1 204 204 CYS H H 216 8.269 8.269 8.333 -0.064 17614 10250 1 9 . 1 1 205 205 HIS N N 217 120.491 120.491 120.739 -0.248 17614 10251 1 9 . 1 1 205 205 HIS C C 217 176.747 176.747 177.207 -0.460 17614 10252 1 9 . 1 1 205 205 HIS CA C 217 57.198 57.198 58.761 -1.563 17614 10253 1 9 . 1 1 205 205 HIS CB C 217 29.886 29.886 29.217 0.669 17614 10254 1 9 . 1 1 205 205 HIS H H 217 7.301 7.301 7.722 -0.421 17614 10255 1 9 . 1 1 206 206 PHE N N 218 120.501 120.501 118.050 2.451 17614 10256 1 9 . 1 1 206 206 PHE C C 218 176.187 176.187 177.740 -1.553 17614 10257 1 9 . 1 1 206 206 PHE CA C 218 59.045 59.045 62.140 -3.095 17614 10258 1 9 . 1 1 206 206 PHE CB C 218 38.901 38.901 38.509 0.392 17614 10259 1 9 . 1 1 206 206 PHE H H 218 8.127 8.127 7.862 0.265 17614 10260 1 9 . 1 1 207 207 THR N N 219 112.682 112.682 112.532 0.150 17614 10261 1 9 . 1 1 207 207 THR C C 219 175.997 175.997 176.775 -0.778 17614 10262 1 9 . 1 1 207 207 THR CA C 219 64.319 64.319 66.353 -2.034 17614 10263 1 9 . 1 1 207 207 THR CB C 219 63.282 63.282 68.256 -4.974 17614 10264 1 9 . 1 1 207 207 THR H H 219 7.977 7.977 7.989 -0.012 17614 10265 1 9 . 1 1 208 208 SER N N 220 117.589 117.589 118.263 -0.674 17614 10266 1 9 . 1 1 208 208 SER C C 220 175.055 175.055 176.577 -1.522 17614 10267 1 9 . 1 1 208 208 SER CA C 220 61.344 61.344 61.536 -0.192 17614 10268 1 9 . 1 1 208 208 SER CB C 220 63.440 63.440 62.747 0.693 17614 10269 1 9 . 1 1 208 208 SER H H 220 8.004 8.004 7.771 0.233 17614 10270 1 9 . 1 1 209 209 ALA N N 221 123.860 123.860 124.177 -0.317 17614 10271 1 9 . 1 1 209 209 ALA C C 221 177.618 177.618 179.553 -1.935 17614 10272 1 9 . 1 1 209 209 ALA CA C 221 53.932 53.932 54.760 -0.827 17614 10273 1 9 . 1 1 209 209 ALA CB C 221 18.891 18.891 18.162 0.729 17614 10274 1 9 . 1 1 209 209 ALA H H 221 7.704 7.704 7.689 0.015 17614 10275 1 9 . 1 1 210 210 PHE N N 222 116.073 116.073 119.866 -3.793 17614 10276 1 9 . 1 1 210 210 PHE C C 222 176.142 176.142 177.610 -1.468 17614 10277 1 9 . 1 1 210 210 PHE CA C 222 58.271 58.271 61.169 -2.897 17614 10278 1 9 . 1 1 210 210 PHE CB C 222 39.554 39.554 39.037 0.517 17614 10279 1 9 . 1 1 210 210 PHE H H 222 7.718 7.718 8.329 -0.611 17614 10280 1 9 . 1 1 211 211 GLY N N 223 108.578 108.578 106.302 2.276 17614 10281 1 9 . 1 1 211 211 GLY C C 223 173.889 173.889 175.550 -1.661 17614 10282 1 9 . 1 1 211 211 GLY CA C 223 45.993 45.993 47.090 -1.097 17614 10283 1 9 . 1 1 211 211 GLY H H 223 7.909 7.909 8.137 -0.228 17614 10284 1 9 . 1 1 212 212 ALA N N 224 123.322 123.322 124.526 -1.204 17614 10285 1 9 . 1 1 212 212 ALA C C 224 178.550 178.550 179.781 -1.231 17614 10286 1 9 . 1 1 212 212 ALA CA C 224 53.608 53.608 54.768 -1.160 17614 10287 1 9 . 1 1 212 212 ALA CB C 224 19.069 19.069 18.308 0.761 17614 10288 1 9 . 1 1 212 212 ALA H H 224 8.018 8.018 7.908 0.110 17614 10289 1 9 . 1 1 213 213 GLY N N 225 107.935 107.935 107.644 0.291 17614 10290 1 9 . 1 1 213 213 GLY C C 225 175.389 175.389 175.648 -0.259 17614 10291 1 9 . 1 1 213 213 GLY CA C 225 46.967 46.967 46.879 0.088 17614 10292 1 9 . 1 1 213 213 GLY H H 225 8.304 8.304 8.660 -0.356 17614 10293 1 9 . 1 1 214 214 PHE N N 226 122.440 122.440 122.627 -0.187 17614 10294 1 9 . 1 1 214 214 PHE C C 226 176.998 176.998 177.043 -0.045 17614 10295 1 9 . 1 1 214 214 PHE CA C 226 60.673 60.673 61.018 -0.345 17614 10296 1 9 . 1 1 214 214 PHE CB C 226 38.319 38.319 39.352 -1.033 17614 10297 1 9 . 1 1 214 214 PHE H H 226 8.045 8.045 8.018 0.027 17614 10298 1 9 . 1 1 215 215 CYS N N 227 116.562 116.562 117.376 -0.814 17614 10299 1 9 . 1 1 215 215 CYS CA C 227 61.301 61.301 62.750 -1.449 17614 10300 1 9 . 1 1 215 215 CYS CB C 227 41.286 41.286 26.966 14.320 17614 10301 1 9 . 1 1 215 215 CYS H H 227 8.016 8.016 7.795 0.221 17614 10302 1 9 . 1 1 216 216 THR C C 228 176.437 176.437 176.704 -0.267 17614 10303 1 9 . 1 1 216 216 THR H H 228 8.410 8.410 8.408 0.002 17614 10304 1 9 . 1 1 217 217 THR N N 229 115.234 115.234 117.624 -2.390 17614 10305 1 9 . 1 1 217 217 THR C C 229 176.749 176.749 176.295 0.454 17614 10306 1 9 . 1 1 217 217 THR CA C 229 65.980 65.980 66.118 -0.138 17614 10307 1 9 . 1 1 217 217 THR CB C 229 67.443 67.443 68.319 -0.876 17614 10308 1 9 . 1 1 217 217 THR H H 229 8.188 8.188 7.862 0.326 17614 10309 1 9 . 1 1 218 218 VAL N N 230 120.723 120.723 120.836 -0.113 17614 10310 1 9 . 1 1 218 218 VAL C C 230 177.983 177.983 177.135 0.848 17614 10311 1 9 . 1 1 218 218 VAL CA C 230 66.832 66.832 65.452 1.380 17614 10312 1 9 . 1 1 218 218 VAL CB C 230 31.168 31.168 31.640 -0.472 17614 10313 1 9 . 1 1 218 218 VAL H H 230 8.027 8.027 7.359 0.668 17614 10314 1 9 . 1 1 219 219 ILE N N 231 120.541 120.541 118.635 1.906 17614 10315 1 9 . 1 1 219 219 ILE C C 231 177.368 177.368 177.105 0.263 17614 10316 1 9 . 1 1 219 219 ILE CA C 231 65.575 65.575 63.468 2.107 17614 10317 1 9 . 1 1 219 219 ILE CB C 231 37.722 37.722 37.527 0.195 17614 10318 1 9 . 1 1 219 219 ILE H H 231 8.458 8.458 7.363 1.095 17614 10319 1 9 . 1 1 220 220 ALA N N 232 122.766 122.766 121.848 0.918 17614 10320 1 9 . 1 1 220 220 ALA C C 232 178.847 178.847 179.910 -1.063 17614 10321 1 9 . 1 1 220 220 ALA CA C 232 55.252 55.252 54.828 0.424 17614 10322 1 9 . 1 1 220 220 ALA CB C 232 17.874 17.874 18.024 -0.150 17614 10323 1 9 . 1 1 220 220 ALA H H 232 8.589 8.589 7.619 0.970 17614 10324 1 9 . 1 1 221 221 SER N N 233 113.387 113.387 114.372 -0.985 17614 10325 1 9 . 1 1 221 221 SER CA C 233 62.348 62.348 63.166 -0.818 17614 10326 1 9 . 1 1 221 221 SER CB C 233 61.630 61.630 61.498 0.132 17614 10327 1 9 . 1 1 221 221 SER H H 233 8.218 8.218 8.020 0.198 17614 10328 1 9 . 1 1 222 222 PRO C C 234 178.221 178.221 178.386 -0.165 17614 10329 1 9 . 1 1 223 223 VAL N N 235 116.087 116.087 117.631 -1.544 17614 10330 1 9 . 1 1 223 223 VAL C C 235 177.089 177.089 177.979 -0.890 17614 10331 1 9 . 1 1 223 223 VAL CA C 235 65.072 65.072 66.267 -1.195 17614 10332 1 9 . 1 1 223 223 VAL CB C 235 31.084 31.084 31.090 -0.006 17614 10333 1 9 . 1 1 223 223 VAL H H 235 8.142 8.142 7.477 0.665 17614 10334 1 9 . 1 1 224 224 ASP N N 236 121.556 121.556 120.071 1.485 17614 10335 1 9 . 1 1 224 224 ASP C C 236 177.422 177.422 178.837 -1.415 17614 10336 1 9 . 1 1 224 224 ASP CA C 236 57.135 57.135 56.850 0.285 17614 10337 1 9 . 1 1 224 224 ASP CB C 236 40.065 40.065 40.424 -0.359 17614 10338 1 9 . 1 1 224 224 ASP H H 236 7.932 7.932 7.354 0.578 17614 10339 1 9 . 1 1 225 225 VAL N N 237 117.233 117.233 120.172 -2.939 17614 10340 1 9 . 1 1 225 225 VAL CA C 237 64.977 64.977 66.249 -1.272 17614 10341 1 9 . 1 1 225 225 VAL CB C 237 31.013 31.013 31.592 -0.579 17614 10342 1 9 . 1 1 225 225 VAL H H 237 7.710 7.710 8.083 -0.373 17614 10343 1 9 . 1 1 226 226 VAL C C 238 177.584 177.584 178.337 -0.753 17614 10344 1 9 . 1 1 226 226 VAL H H 238 7.607 7.607 7.795 -0.188 17614 10345 1 9 . 1 1 227 227 LYS N N 239 120.095 120.095 119.014 1.081 17614 10346 1 9 . 1 1 227 227 LYS C C 239 178.678 178.678 179.611 -0.933 17614 10347 1 9 . 1 1 227 227 LYS CA C 239 58.483 58.483 59.119 -0.636 17614 10348 1 9 . 1 1 227 227 LYS CB C 239 31.863 31.863 31.772 0.091 17614 10349 1 9 . 1 1 227 227 LYS H H 239 7.761 7.761 7.434 0.327 17614 10350 1 9 . 1 1 228 228 THR N N 240 115.247 115.247 115.657 -0.410 17614 10351 1 9 . 1 1 228 228 THR C C 240 175.093 175.093 176.472 -1.379 17614 10352 1 9 . 1 1 228 228 THR CA C 240 66.458 66.458 65.390 1.068 17614 10353 1 9 . 1 1 228 228 THR CB C 240 68.011 68.011 68.828 -0.817 17614 10354 1 9 . 1 1 228 228 THR H H 240 7.761 7.761 7.593 0.168 17614 10355 1 9 . 1 1 229 229 ARG N N 241 119.633 119.633 120.612 -0.979 17614 10356 1 9 . 1 1 229 229 ARG CA C 241 57.133 57.133 59.520 -2.387 17614 10357 1 9 . 1 1 229 229 ARG CB C 241 31.218 31.218 30.034 1.184 17614 10358 1 9 . 1 1 229 229 ARG H H 241 7.383 7.383 7.571 -0.188 17614 10359 1 9 . 1 1 230 230 TYR C C 242 174.956 174.956 177.322 -2.366 17614 10360 1 9 . 1 1 230 230 TYR H H 242 8.699 8.699 7.687 1.012 17614 10361 1 9 . 1 1 231 231 MET N N 243 118.458 118.458 117.467 0.991 17614 10362 1 9 . 1 1 231 231 MET C C 243 175.676 175.676 176.564 -0.888 17614 10363 1 9 . 1 1 231 231 MET CA C 243 54.417 54.417 56.738 -2.321 17614 10364 1 9 . 1 1 231 231 MET H H 243 7.442 7.442 8.181 -0.739 17614 10365 1 9 . 1 1 232 232 ASN N N 244 116.369 116.369 117.546 -1.177 17614 10366 1 9 . 1 1 232 232 ASN C C 244 174.919 174.919 175.790 -0.871 17614 10367 1 9 . 1 1 232 232 ASN CA C 244 59.470 59.470 54.106 5.364 17614 10368 1 9 . 1 1 232 232 ASN CB C 244 39.079 39.079 39.356 -0.277 17614 10369 1 9 . 1 1 232 232 ASN H H 244 7.772 7.772 8.030 -0.258 17614 10370 1 9 . 1 1 233 233 SER N N 245 114.568 114.568 118.100 -3.532 17614 10371 1 9 . 1 1 233 233 SER C C 245 175.695 175.695 173.169 2.526 17614 10372 1 9 . 1 1 233 233 SER CA C 245 53.852 53.852 60.588 -6.736 17614 10373 1 9 . 1 1 233 233 SER CB C 245 61.232 61.232 62.843 -1.611 17614 10374 1 9 . 1 1 233 233 SER H H 245 8.475 8.475 8.673 -0.198 17614 10375 1 9 . 1 1 234 234 ALA N N 246 127.283 127.283 121.355 5.928 17614 10376 1 9 . 1 1 234 234 ALA C C 246 177.128 177.128 175.973 1.155 17614 10377 1 9 . 1 1 234 234 ALA CA C 246 56.803 56.803 52.400 4.403 17614 10378 1 9 . 1 1 234 234 ALA CB C 246 18.901 18.901 18.192 0.709 17614 10379 1 9 . 1 1 234 234 ALA H H 246 7.929 7.929 8.034 -0.105 17614 10380 1 9 . 1 1 235 235 LEU N N 247 118.112 118.112 121.260 -3.148 17614 10381 1 9 . 1 1 235 235 LEU C C 247 176.723 176.723 176.989 -0.266 17614 10382 1 9 . 1 1 235 235 LEU CA C 247 54.156 54.156 55.021 -0.865 17614 10383 1 9 . 1 1 235 235 LEU CB C 247 41.215 41.215 42.931 -1.716 17614 10384 1 9 . 1 1 235 235 LEU H H 247 7.922 7.922 7.675 0.247 17614 10385 1 9 . 1 1 236 236 GLY N N 248 107.203 107.203 111.594 -4.391 17614 10386 1 9 . 1 1 236 236 GLY CA C 248 44.558 44.558 44.546 0.012 17614 10387 1 9 . 1 1 236 236 GLY H H 248 8.318 8.318 8.405 -0.087 17614 10388 1 9 . 1 1 238 238 TYR C C 250 175.942 175.942 176.039 -0.097 17614 10389 1 9 . 1 1 238 238 TYR H H 250 8.134 8.134 8.645 -0.511 17614 10390 1 9 . 1 1 239 239 HIS N N 251 123.281 123.281 118.545 4.736 17614 10391 1 9 . 1 1 239 239 HIS C C 251 174.531 174.531 174.966 -0.435 17614 10392 1 9 . 1 1 239 239 HIS CA C 251 58.931 58.931 58.265 0.666 17614 10393 1 9 . 1 1 239 239 HIS CB C 251 29.525 29.525 30.405 -0.880 17614 10394 1 9 . 1 1 239 239 HIS H H 251 8.184 8.184 8.443 -0.259 17614 10395 1 9 . 1 1 240 240 SER N N 252 110.038 110.038 110.460 -0.422 17614 10396 1 9 . 1 1 240 240 SER C C 252 174.429 174.429 174.309 0.120 17614 10397 1 9 . 1 1 240 240 SER CA C 252 57.452 57.452 57.455 -0.003 17614 10398 1 9 . 1 1 240 240 SER CB C 252 65.022 65.022 65.160 -0.138 17614 10399 1 9 . 1 1 240 240 SER H H 252 8.010 8.010 7.916 0.094 17614 10400 1 9 . 1 1 241 241 ALA N N 253 123.034 123.034 123.334 -0.300 17614 10401 1 9 . 1 1 241 241 ALA C C 253 179.249 179.249 179.990 -0.741 17614 10402 1 9 . 1 1 241 241 ALA CA C 253 54.981 54.981 54.562 0.419 17614 10403 1 9 . 1 1 241 241 ALA CB C 253 19.069 19.069 18.605 0.464 17614 10404 1 9 . 1 1 241 241 ALA H H 253 8.034 8.034 8.694 -0.660 17614 10405 1 9 . 1 1 242 242 GLY N N 254 106.379 106.379 106.414 -0.035 17614 10406 1 9 . 1 1 242 242 GLY C C 254 174.433 174.433 175.707 -1.274 17614 10407 1 9 . 1 1 242 242 GLY CA C 254 47.615 47.615 46.987 0.628 17614 10408 1 9 . 1 1 242 242 GLY H H 254 8.427 8.427 8.673 -0.246 17614 10409 1 9 . 1 1 243 243 HIS N N 255 121.119 121.119 121.106 0.013 17614 10410 1 9 . 1 1 243 243 HIS C C 255 178.084 178.084 177.010 1.074 17614 10411 1 9 . 1 1 243 243 HIS CA C 255 60.144 60.144 59.127 1.017 17614 10412 1 9 . 1 1 243 243 HIS CB C 255 33.073 33.073 29.671 3.402 17614 10413 1 9 . 1 1 243 243 HIS H H 255 8.304 8.304 8.056 0.248 17614 10414 1 9 . 1 1 244 244 CYS N N 256 117.946 117.946 117.363 0.583 17614 10415 1 9 . 1 1 244 244 CYS C C 256 175.453 175.453 176.489 -1.036 17614 10416 1 9 . 1 1 244 244 CYS CA C 256 58.668 58.668 63.816 -5.148 17614 10417 1 9 . 1 1 244 244 CYS CB C 256 41.434 41.434 26.508 14.926 17614 10418 1 9 . 1 1 244 244 CYS H H 256 8.168 8.168 7.938 0.230 17614 10419 1 9 . 1 1 245 245 ALA N N 257 123.138 123.138 122.932 0.206 17614 10420 1 9 . 1 1 245 245 ALA C C 257 179.489 179.489 180.011 -0.522 17614 10421 1 9 . 1 1 245 245 ALA CA C 257 54.589 54.589 55.287 -0.698 17614 10422 1 9 . 1 1 245 245 ALA CB C 257 17.675 17.675 18.227 -0.552 17614 10423 1 9 . 1 1 245 245 ALA H H 257 7.932 7.932 7.450 0.481 17614 10424 1 9 . 1 1 246 246 LEU N N 258 119.779 119.779 117.941 1.838 17614 10425 1 9 . 1 1 246 246 LEU C C 258 178.234 178.234 179.508 -1.274 17614 10426 1 9 . 1 1 246 246 LEU CA C 258 56.967 56.967 57.848 -0.881 17614 10427 1 9 . 1 1 246 246 LEU CB C 258 41.067 41.067 40.797 0.270 17614 10428 1 9 . 1 1 246 246 LEU H H 258 7.681 7.681 7.841 -0.160 17614 10429 1 9 . 1 1 247 247 THR N N 259 114.552 114.552 116.670 -2.118 17614 10430 1 9 . 1 1 247 247 THR C C 259 176.244 176.244 176.694 -0.450 17614 10431 1 9 . 1 1 247 247 THR CA C 259 66.511 66.511 66.529 -0.018 17614 10432 1 9 . 1 1 247 247 THR CB C 259 67.274 67.274 68.535 -1.261 17614 10433 1 9 . 1 1 247 247 THR H H 259 7.855 7.855 8.285 -0.430 17614 10434 1 9 . 1 1 248 248 MET N N 260 118.862 118.862 120.877 -2.015 17614 10435 1 9 . 1 1 248 248 MET C C 260 177.094 177.094 177.725 -0.631 17614 10436 1 9 . 1 1 248 248 MET CA C 260 58.532 58.532 58.529 0.003 17614 10437 1 9 . 1 1 248 248 MET CB C 260 32.288 32.288 31.865 0.423 17614 10438 1 9 . 1 1 248 248 MET H H 260 8.296 8.296 8.620 -0.324 17614 10439 1 9 . 1 1 249 249 LEU N N 261 116.839 116.839 119.081 -2.242 17614 10440 1 9 . 1 1 249 249 LEU C C 261 178.162 178.162 179.096 -0.934 17614 10441 1 9 . 1 1 249 249 LEU CA C 261 58.167 58.167 57.433 0.734 17614 10442 1 9 . 1 1 249 249 LEU CB C 261 42.202 42.202 41.985 0.217 17614 10443 1 9 . 1 1 249 249 LEU H H 261 8.053 8.053 7.461 0.592 17614 10444 1 9 . 1 1 250 250 ARG N N 262 116.821 116.821 117.437 -0.616 17614 10445 1 9 . 1 1 250 250 ARG CA C 262 58.761 58.761 58.270 0.491 17614 10446 1 9 . 1 1 250 250 ARG CB C 262 30.825 30.825 30.893 -0.068 17614 10447 1 9 . 1 1 250 250 ARG H H 262 7.827 7.827 7.637 0.190 17614 10448 1 9 . 1 1 254 254 PRO C C 266 177.152 177.152 178.221 -1.069 17614 10449 1 9 . 1 1 254 254 PRO CA C 266 65.152 65.152 64.033 1.119 17614 10450 1 9 . 1 1 255 255 ARG N N 267 117.739 117.739 119.854 -2.115 17614 10451 1 9 . 1 1 255 255 ARG C C 267 177.463 177.463 177.858 -0.395 17614 10452 1 9 . 1 1 255 255 ARG CA C 267 59.335 59.335 58.112 1.223 17614 10453 1 9 . 1 1 255 255 ARG CB C 267 30.185 30.185 28.970 1.215 17614 10454 1 9 . 1 1 255 255 ARG H H 267 8.072 8.072 8.495 -0.423 17614 10455 1 9 . 1 1 256 256 ALA N N 268 121.709 121.709 121.908 -0.199 17614 10456 1 9 . 1 1 256 256 ALA C C 268 179.251 179.251 180.270 -1.019 17614 10457 1 9 . 1 1 256 256 ALA CA C 268 54.631 54.631 54.707 -0.076 17614 10458 1 9 . 1 1 256 256 ALA CB C 268 18.683 18.683 18.186 0.496 17614 10459 1 9 . 1 1 256 256 ALA H H 268 7.963 7.963 7.841 0.122 17614 10460 1 9 . 1 1 257 257 PHE N N 269 117.096 117.096 117.469 -0.373 17614 10461 1 9 . 1 1 257 257 PHE C C 269 175.987 175.987 177.297 -1.310 17614 10462 1 9 . 1 1 257 257 PHE CA C 269 61.037 61.037 61.420 -0.383 17614 10463 1 9 . 1 1 257 257 PHE CB C 269 38.637 38.637 38.913 -0.276 17614 10464 1 9 . 1 1 257 257 PHE H H 269 7.832 7.832 7.817 0.015 17614 10465 1 9 . 1 1 258 258 TYR N N 270 118.496 118.496 119.781 -1.285 17614 10466 1 9 . 1 1 258 258 TYR C C 270 176.250 176.250 175.836 0.414 17614 10467 1 9 . 1 1 258 258 TYR CA C 270 60.116 60.116 59.903 0.213 17614 10468 1 9 . 1 1 258 258 TYR CB C 270 38.882 38.882 39.290 -0.408 17614 10469 1 9 . 1 1 258 258 TYR H H 270 7.813 7.813 7.709 0.104 17614 10470 1 9 . 1 1 259 259 LYS N N 271 119.458 119.458 118.011 1.447 17614 10471 1 9 . 1 1 259 259 LYS C C 271 177.696 177.696 175.730 1.966 17614 10472 1 9 . 1 1 259 259 LYS CA C 271 57.192 57.192 55.659 1.533 17614 10473 1 9 . 1 1 259 259 LYS CB C 271 32.734 32.734 33.489 -0.755 17614 10474 1 9 . 1 1 259 259 LYS H H 271 7.864 7.864 7.955 -0.091 17614 10475 1 9 . 1 1 260 260 GLY N N 272 106.217 106.217 107.442 -1.225 17614 10476 1 9 . 1 1 260 260 GLY C C 272 173.967 173.967 173.059 0.908 17614 10477 1 9 . 1 1 260 260 GLY CA C 272 46.117 46.117 45.241 0.876 17614 10478 1 9 . 1 1 260 260 GLY H H 272 7.622 7.622 8.363 -0.741 17614 10479 1 9 . 1 1 261 261 PHE N N 273 118.847 118.847 116.673 2.174 17614 10480 1 9 . 1 1 261 261 PHE C C 273 175.055 175.055 174.444 0.611 17614 10481 1 9 . 1 1 261 261 PHE CA C 273 57.721 57.721 56.669 1.052 17614 10482 1 9 . 1 1 261 261 PHE CB C 273 40.183 40.183 38.859 1.323 17614 10483 1 9 . 1 1 261 261 PHE H H 273 7.677 7.677 7.434 0.243 17614 10484 1 9 . 1 1 265 265 PHE C C 277 176.602 176.602 176.938 -0.336 17614 10485 1 9 . 1 1 265 265 PHE CA C 277 61.838 61.838 61.581 0.257 17614 10486 1 9 . 1 1 265 265 PHE CB C 277 39.537 39.537 39.200 0.337 17614 10487 1 9 . 1 1 265 265 PHE H H 277 7.695 7.695 8.078 -0.383 17614 10488 1 9 . 1 1 266 266 LEU N N 278 118.465 118.465 120.063 -1.598 17614 10489 1 9 . 1 1 266 266 LEU C C 278 177.152 177.152 178.382 -1.230 17614 10490 1 9 . 1 1 266 266 LEU CA C 278 56.115 56.115 58.246 -2.131 17614 10491 1 9 . 1 1 266 266 LEU CB C 278 42.398 42.398 41.919 0.479 17614 10492 1 9 . 1 1 266 266 LEU H H 278 8.104 8.104 7.924 0.180 17614 10493 1 9 . 1 1 267 267 ARG N N 279 118.749 118.749 119.255 -0.506 17614 10494 1 9 . 1 1 267 267 ARG C C 279 176.608 176.608 178.576 -1.968 17614 10495 1 9 . 1 1 267 267 ARG CA C 279 56.938 56.938 58.901 -1.963 17614 10496 1 9 . 1 1 267 267 ARG CB C 279 30.659 30.659 29.760 0.899 17614 10497 1 9 . 1 1 267 267 ARG H H 279 7.472 7.472 8.022 -0.550 17614 10498 1 9 . 1 1 268 268 LEU N N 280 120.305 120.305 118.971 1.334 17614 10499 1 9 . 1 1 268 268 LEU C C 280 177.540 177.540 178.378 -0.838 17614 10500 1 9 . 1 1 268 268 LEU CA C 280 57.094 57.094 58.072 -0.978 17614 10501 1 9 . 1 1 268 268 LEU CB C 280 42.027 42.027 41.007 1.020 17614 10502 1 9 . 1 1 268 268 LEU H H 280 7.690 7.690 8.042 -0.352 17614 10503 1 9 . 1 1 269 269 GLY N N 281 106.837 106.837 106.814 0.023 17614 10504 1 9 . 1 1 269 269 GLY C C 281 174.045 174.045 175.973 -1.928 17614 10505 1 9 . 1 1 269 269 GLY CA C 281 46.967 46.967 47.150 -0.183 17614 10506 1 9 . 1 1 269 269 GLY H H 281 7.881 7.881 7.691 0.190 17614 10507 1 9 . 1 1 270 270 SER N N 282 115.531 115.531 118.032 -2.501 17614 10508 1 9 . 1 1 270 270 SER C C 282 174.123 174.123 176.899 -2.776 17614 10509 1 9 . 1 1 270 270 SER CA C 282 58.796 58.796 60.995 -2.199 17614 10510 1 9 . 1 1 270 270 SER CB C 282 58.975 58.975 63.236 -4.261 17614 10511 1 9 . 1 1 270 270 SER H H 282 7.813 7.813 7.552 0.261 17614 10512 1 9 . 1 1 271 271 TRP N N 283 122.851 122.851 122.454 0.397 17614 10513 1 9 . 1 1 271 271 TRP C C 283 176.142 176.142 178.311 -2.169 17614 10514 1 9 . 1 1 271 271 TRP CA C 283 59.221 59.221 61.222 -2.001 17614 10515 1 9 . 1 1 271 271 TRP CB C 283 30.446 30.446 29.210 1.236 17614 10516 1 9 . 1 1 271 271 TRP H H 283 8.186 8.186 8.548 -0.362 17614 10517 1 9 . 1 1 272 272 ASN N N 284 118.459 118.459 116.390 2.069 17614 10518 1 9 . 1 1 272 272 ASN CA C 284 55.325 55.325 56.163 -0.839 17614 10519 1 9 . 1 1 272 272 ASN CB C 284 39.504 39.504 37.918 1.586 17614 10520 1 9 . 1 1 272 272 ASN H H 284 8.127 8.127 7.976 0.151 17614 10521 1 9 . 1 1 273 273 VAL C C 285 177.263 177.263 177.475 -0.212 17614 10522 1 9 . 1 1 273 273 VAL H H 285 7.854 7.854 7.436 0.418 17614 10523 1 9 . 1 1 274 274 VAL N N 286 119.883 119.883 119.929 -0.046 17614 10524 1 9 . 1 1 274 274 VAL C C 286 177.072 177.072 178.412 -1.340 17614 10525 1 9 . 1 1 274 274 VAL CA C 286 64.717 64.717 66.018 -1.301 17614 10526 1 9 . 1 1 274 274 VAL CB C 286 29.553 29.553 30.829 -1.276 17614 10527 1 9 . 1 1 274 274 VAL H H 286 7.483 7.483 7.307 0.176 17614 10528 1 9 . 1 1 275 275 MET N N 287 120.401 120.401 117.544 2.857 17614 10529 1 9 . 1 1 275 275 MET C C 287 177.594 177.594 178.552 -0.958 17614 10530 1 9 . 1 1 275 275 MET CA C 287 57.654 57.654 58.944 -1.290 17614 10531 1 9 . 1 1 275 275 MET CB C 287 31.592 31.592 32.208 -0.616 17614 10532 1 9 . 1 1 275 275 MET H H 287 8.118 8.118 7.378 0.741 17614 10533 1 9 . 1 1 276 276 PHE N N 288 122.234 122.234 121.626 0.608 17614 10534 1 9 . 1 1 276 276 PHE C C 288 176.498 176.498 177.529 -1.031 17614 10535 1 9 . 1 1 276 276 PHE CA C 288 61.766 61.766 62.108 -0.342 17614 10536 1 9 . 1 1 276 276 PHE CB C 288 39.031 39.031 39.406 -0.375 17614 10537 1 9 . 1 1 276 276 PHE H H 288 7.878 7.878 7.702 0.176 17614 10538 1 9 . 1 1 277 277 VAL N N 289 118.907 118.907 115.223 3.684 17614 10539 1 9 . 1 1 277 277 VAL CA C 289 64.566 64.566 66.694 -2.128 17614 10540 1 9 . 1 1 277 277 VAL CB C 289 30.544 30.544 31.163 -0.619 17614 10541 1 9 . 1 1 277 277 VAL H H 289 7.913 7.913 7.848 0.065 17614 10542 1 9 . 1 1 278 278 THR C C 290 175.376 175.376 176.385 -1.009 17614 10543 1 9 . 1 1 278 278 THR H H 290 8.095 8.095 7.501 0.594 17614 10544 1 9 . 1 1 279 279 TYR N N 291 118.029 118.029 122.032 -4.003 17614 10545 1 9 . 1 1 279 279 TYR C C 291 176.919 176.919 177.775 -0.856 17614 10546 1 9 . 1 1 279 279 TYR CA C 291 61.717 61.717 61.962 -0.245 17614 10547 1 9 . 1 1 279 279 TYR CB C 291 38.020 38.020 37.649 0.371 17614 10548 1 9 . 1 1 279 279 TYR H H 291 7.986 7.986 7.551 0.435 17614 10549 1 9 . 1 1 280 280 GLU N N 292 118.005 118.005 119.002 -0.997 17614 10550 1 9 . 1 1 280 280 GLU C C 292 176.686 176.686 179.042 -2.356 17614 10551 1 9 . 1 1 280 280 GLU CA C 292 60.084 60.084 59.678 0.406 17614 10552 1 9 . 1 1 280 280 GLU CB C 292 29.443 29.443 28.997 0.446 17614 10553 1 9 . 1 1 280 280 GLU H H 292 8.359 8.359 8.134 0.225 17614 10554 1 9 . 1 1 281 281 GLN N N 293 118.746 118.746 117.877 0.869 17614 10555 1 9 . 1 1 281 281 GLN C C 293 176.210 176.210 178.366 -2.156 17614 10556 1 9 . 1 1 281 281 GLN CA C 293 58.986 58.986 58.145 0.841 17614 10557 1 9 . 1 1 281 281 GLN CB C 293 28.784 28.784 28.368 0.416 17614 10558 1 9 . 1 1 281 281 GLN H H 293 7.704 7.704 7.576 0.128 17614 10559 1 9 . 1 1 282 282 LEU N N 294 120.970 120.970 118.358 2.612 17614 10560 1 9 . 1 1 282 282 LEU C C 294 178.084 178.084 178.289 -0.205 17614 10561 1 9 . 1 1 282 282 LEU CA C 294 58.741 58.741 56.569 2.172 17614 10562 1 9 . 1 1 282 282 LEU CB C 294 41.451 41.451 41.585 -0.134 17614 10563 1 9 . 1 1 282 282 LEU H H 294 7.995 7.995 7.457 0.538 17614 10564 1 9 . 1 1 283 283 LYS N N 295 117.756 117.756 117.827 -0.071 17614 10565 1 9 . 1 1 283 283 LYS CA C 295 59.048 59.048 58.280 0.768 17614 10566 1 9 . 1 1 283 283 LYS CB C 295 31.871 31.871 33.099 -1.228 17614 10567 1 9 . 1 1 283 283 LYS H H 295 7.731 7.731 7.926 -0.195 17614 10568 1 9 . 1 1 284 284 ARG H H 296 7.895 7.895 7.950 -0.055 17614 10569 1 9 . 1 1 285 285 ALA C C 297 176.488 176.488 176.847 -0.359 17614 10570 1 9 . 1 1 285 285 ALA H H 297 8.223 8.223 8.362 -0.139 17614 10571 1 9 . 1 1 286 286 LEU N N 298 117.376 117.376 121.418 -4.042 17614 10572 1 9 . 1 1 286 286 LEU C C 298 178.628 178.628 176.082 2.546 17614 10573 1 9 . 1 1 286 286 LEU CA C 298 58.217 58.217 55.193 3.024 17614 10574 1 9 . 1 1 286 286 LEU CB C 298 41.905 41.905 44.310 -2.405 17614 10575 1 9 . 1 1 286 286 LEU H H 298 7.947 7.947 7.974 -0.027 17614 10576 1 9 . 1 1 287 287 MET N N 299 127.376 127.376 127.380 -0.004 17614 10577 1 9 . 1 1 287 287 MET C C 299 178.472 178.472 175.077 3.395 17614 10578 1 9 . 1 1 287 287 MET CA C 299 58.461 58.461 55.182 3.279 17614 10579 1 9 . 1 1 287 287 MET CB C 299 32.110 32.110 31.381 0.729 17614 10580 1 9 . 1 1 287 287 MET H H 299 8.182 8.182 8.811 -0.629 17614 10581 1 9 . 1 1 288 288 ALA N N 300 121.854 121.854 124.194 -2.340 17614 10582 1 9 . 1 1 288 288 ALA C C 300 180.197 180.197 175.986 4.211 17614 10583 1 9 . 1 1 288 288 ALA CA C 300 55.617 55.617 52.368 3.249 17614 10584 1 9 . 1 1 288 288 ALA CB C 300 18.215 18.215 20.005 -1.790 17614 10585 1 9 . 1 1 288 288 ALA H H 300 7.841 7.841 7.746 0.095 17614 10586 1 9 . 1 1 289 289 ALA N N 301 121.224 121.224 128.879 -7.655 17614 10587 1 9 . 1 1 289 289 ALA C C 301 178.939 178.939 178.550 0.389 17614 10588 1 9 . 1 1 289 289 ALA CA C 301 55.186 55.186 54.296 0.890 17614 10589 1 9 . 1 1 289 289 ALA CB C 301 18.735 18.735 19.130 -0.395 17614 10590 1 9 . 1 1 289 289 ALA H H 301 7.872 7.872 8.731 -0.859 17614 10591 1 9 . 1 1 290 290 TYR N N 302 118.183 118.183 119.660 -1.477 17614 10592 1 9 . 1 1 290 290 TYR C C 302 176.841 176.841 177.768 -0.927 17614 10593 1 9 . 1 1 290 290 TYR CA C 302 60.868 60.868 61.753 -0.885 17614 10594 1 9 . 1 1 290 290 TYR CB C 302 39.344 39.344 37.941 1.403 17614 10595 1 9 . 1 1 290 290 TYR H H 302 8.100 8.100 8.546 -0.446 17614 10596 1 9 . 1 1 291 291 GLN N N 303 117.243 117.243 116.557 0.686 17614 10597 1 9 . 1 1 291 291 GLN C C 303 176.997 176.997 178.223 -1.226 17614 10598 1 9 . 1 1 291 291 GLN CA C 303 58.787 58.787 59.459 -0.672 17614 10599 1 9 . 1 1 291 291 GLN CB C 303 29.216 29.216 28.413 0.803 17614 10600 1 9 . 1 1 291 291 GLN H H 303 8.059 8.059 8.674 -0.615 17614 10601 1 9 . 1 1 292 292 SER N N 304 114.721 114.721 114.907 -0.186 17614 10602 1 9 . 1 1 292 292 SER C C 304 174.511 174.511 176.141 -1.630 17614 10603 1 9 . 1 1 292 292 SER CA C 304 59.720 59.720 61.077 -1.357 17614 10604 1 9 . 1 1 292 292 SER CB C 304 63.896 63.896 63.068 0.828 17614 10605 1 9 . 1 1 292 292 SER H H 304 7.718 7.718 7.772 -0.054 17614 10606 1 9 . 1 1 293 293 ARG N N 305 121.401 121.401 121.010 0.391 17614 10607 1 9 . 1 1 293 293 ARG C C 305 175.521 175.521 177.967 -2.446 17614 10608 1 9 . 1 1 293 293 ARG CA C 305 59.639 59.639 58.710 0.929 17614 10609 1 9 . 1 1 293 293 ARG CB C 305 30.568 30.568 30.510 0.058 17614 10610 1 9 . 1 1 293 293 ARG H H 305 7.609 7.609 8.127 -0.518 17614 10611 1 9 . 1 1 294 294 GLU N N 306 120.090 120.090 117.274 2.816 17614 10612 1 9 . 1 1 294 294 GLU C C 306 177.648 177.648 178.751 -1.103 17614 10613 1 9 . 1 1 294 294 GLU CA C 306 59.624 59.624 58.472 1.152 17614 10614 1 9 . 1 1 294 294 GLU CB C 306 30.362 30.362 28.788 1.574 17614 10615 1 9 . 1 1 294 294 GLU H H 306 7.909 7.909 7.682 0.227 17614 10616 1 9 . 1 1 295 295 ALA N N 307 121.234 121.234 124.577 -3.343 17614 10617 1 9 . 1 1 295 295 ALA C C 307 176.014 176.014 177.247 -1.233 17614 10618 1 9 . 1 1 295 295 ALA CA C 307 56.844 56.844 55.191 1.653 17614 10619 1 9 . 1 1 295 295 ALA CB C 307 17.735 17.735 16.823 0.912 17614 10620 1 9 . 1 1 295 295 ALA H H 307 7.760 7.760 7.800 -0.040 17614 10621 1 10 . 1 1 3 3 VAL N N 15 123.095 123.095 125.258 -2.163 17614 10622 1 10 . 1 1 3 3 VAL C C 15 176.453 176.453 176.633 -0.180 17614 10623 1 10 . 1 1 3 3 VAL CA C 15 63.979 63.979 60.476 3.503 17614 10624 1 10 . 1 1 3 3 VAL CB C 15 32.507 32.507 33.912 -1.405 17614 10625 1 10 . 1 1 3 3 VAL H H 15 8.053 8.053 8.502 -0.449 17614 10626 1 10 . 1 1 4 4 LYS N N 16 123.075 123.075 121.794 1.281 17614 10627 1 10 . 1 1 4 4 LYS C C 16 176.841 176.841 179.005 -2.164 17614 10628 1 10 . 1 1 4 4 LYS CA C 16 59.762 59.762 59.502 0.260 17614 10629 1 10 . 1 1 4 4 LYS CB C 16 32.751 32.751 32.303 0.448 17614 10630 1 10 . 1 1 4 4 LYS H H 16 8.059 8.059 8.706 -0.647 17614 10631 1 10 . 1 1 5 5 PHE N N 17 118.838 118.838 120.550 -1.712 17614 10632 1 10 . 1 1 5 5 PHE C C 17 175.443 175.443 177.442 -1.999 17614 10633 1 10 . 1 1 5 5 PHE CA C 17 59.915 59.915 60.539 -0.624 17614 10634 1 10 . 1 1 5 5 PHE CB C 17 39.659 39.659 38.811 0.848 17614 10635 1 10 . 1 1 5 5 PHE H H 17 7.909 7.909 8.097 -0.188 17614 10636 1 10 . 1 1 6 6 LEU N N 18 119.089 119.089 119.856 -0.767 17614 10637 1 10 . 1 1 6 6 LEU C C 18 177.195 177.195 178.517 -1.322 17614 10638 1 10 . 1 1 6 6 LEU CA C 18 55.385 55.385 56.652 -1.267 17614 10639 1 10 . 1 1 6 6 LEU CB C 18 42.905 42.905 41.566 1.339 17614 10640 1 10 . 1 1 6 6 LEU H H 18 7.814 7.814 8.085 -0.271 17614 10641 1 10 . 1 1 7 7 GLY N N 19 108.484 108.484 107.793 0.691 17614 10642 1 10 . 1 1 7 7 GLY C C 19 174.967 174.967 175.570 -0.603 17614 10643 1 10 . 1 1 7 7 GLY CA C 19 45.518 45.518 47.162 -1.644 17614 10644 1 10 . 1 1 7 7 GLY H H 19 8.032 8.032 8.371 -0.339 17614 10645 1 10 . 1 1 8 8 ALA N N 20 124.208 124.208 123.866 0.342 17614 10646 1 10 . 1 1 8 8 ALA C C 20 179.405 179.405 179.434 -0.029 17614 10647 1 10 . 1 1 8 8 ALA CA C 20 54.531 54.531 54.442 0.089 17614 10648 1 10 . 1 1 8 8 ALA CB C 20 18.995 18.995 18.156 0.839 17614 10649 1 10 . 1 1 8 8 ALA H H 20 8.318 8.318 8.025 0.293 17614 10650 1 10 . 1 1 9 9 GLY N N 21 108.209 108.209 107.166 1.043 17614 10651 1 10 . 1 1 9 9 GLY C C 21 175.676 175.676 176.274 -0.598 17614 10652 1 10 . 1 1 9 9 GLY CA C 21 46.742 46.742 47.390 -0.648 17614 10653 1 10 . 1 1 9 9 GLY H H 21 8.523 8.523 8.151 0.372 17614 10654 1 10 . 1 1 10 10 THR N N 22 119.542 119.542 115.569 3.973 17614 10655 1 10 . 1 1 10 10 THR C C 22 175.661 175.661 176.086 -0.425 17614 10656 1 10 . 1 1 10 10 THR CA C 22 66.401 66.401 65.452 0.949 17614 10657 1 10 . 1 1 10 10 THR CB C 22 68.866 68.866 68.444 0.423 17614 10658 1 10 . 1 1 10 10 THR H H 22 7.881 7.881 8.290 -0.409 17614 10659 1 10 . 1 1 11 11 ALA N N 23 123.431 123.431 124.893 -1.462 17614 10660 1 10 . 1 1 11 11 ALA C C 23 178.628 178.628 178.870 -0.242 17614 10661 1 10 . 1 1 11 11 ALA CA C 23 55.480 55.480 55.089 0.391 17614 10662 1 10 . 1 1 11 11 ALA CB C 23 18.218 18.218 18.155 0.063 17614 10663 1 10 . 1 1 11 11 ALA H H 23 8.263 8.263 7.552 0.711 17614 10664 1 10 . 1 1 12 12 ALA N N 24 119.939 119.939 121.027 -1.088 17614 10665 1 10 . 1 1 12 12 ALA C C 24 179.172 179.172 179.130 0.042 17614 10666 1 10 . 1 1 12 12 ALA CA C 24 55.038 55.038 55.184 -0.146 17614 10667 1 10 . 1 1 12 12 ALA CB C 24 18.385 18.385 18.343 0.042 17614 10668 1 10 . 1 1 12 12 ALA H H 24 7.827 7.827 8.437 -0.610 17614 10669 1 10 . 1 1 13 13 CYS N N 25 116.736 116.736 116.628 0.108 17614 10670 1 10 . 1 1 13 13 CYS C C 25 176.220 176.220 176.644 -0.424 17614 10671 1 10 . 1 1 13 13 CYS CA C 25 58.596 58.596 62.204 -3.608 17614 10672 1 10 . 1 1 13 13 CYS CB C 25 41.771 41.771 28.089 13.682 17614 10673 1 10 . 1 1 13 13 CYS H H 25 7.677 7.677 7.443 0.234 17614 10674 1 10 . 1 1 14 14 ILE N N 26 119.154 119.154 119.404 -0.250 17614 10675 1 10 . 1 1 14 14 ILE C C 26 176.915 176.915 177.643 -0.728 17614 10676 1 10 . 1 1 14 14 ILE CA C 26 64.858 64.858 64.296 0.562 17614 10677 1 10 . 1 1 14 14 ILE CB C 26 38.090 38.090 37.299 0.791 17614 10678 1 10 . 1 1 14 14 ILE H H 26 7.899 7.899 7.613 0.286 17614 10679 1 10 . 1 1 15 15 ALA N N 27 121.116 121.116 122.958 -1.842 17614 10680 1 10 . 1 1 15 15 ALA C C 27 179.016 179.016 178.887 0.129 17614 10681 1 10 . 1 1 15 15 ALA CA C 27 55.367 55.367 55.204 0.163 17614 10682 1 10 . 1 1 15 15 ALA CB C 27 18.385 18.385 18.670 -0.285 17614 10683 1 10 . 1 1 15 15 ALA H H 27 7.909 7.909 8.185 -0.276 17614 10684 1 10 . 1 1 16 16 ASP N N 28 116.829 116.829 117.937 -1.108 17614 10685 1 10 . 1 1 16 16 ASP C C 28 177.643 177.643 178.366 -0.723 17614 10686 1 10 . 1 1 16 16 ASP CA C 28 56.453 56.453 57.598 -1.145 17614 10687 1 10 . 1 1 16 16 ASP CB C 28 41.128 41.128 40.637 0.491 17614 10688 1 10 . 1 1 16 16 ASP H H 28 7.554 7.554 7.536 0.018 17614 10689 1 10 . 1 1 17 17 LEU N N 29 119.672 119.672 120.548 -0.876 17614 10690 1 10 . 1 1 17 17 LEU C C 29 178.628 178.628 178.958 -0.330 17614 10691 1 10 . 1 1 17 17 LEU CA C 29 57.144 57.144 57.893 -0.749 17614 10692 1 10 . 1 1 17 17 LEU CB C 29 43.146 43.146 41.770 1.376 17614 10693 1 10 . 1 1 17 17 LEU H H 29 7.732 7.732 7.402 0.330 17614 10694 1 10 . 1 1 18 18 ILE N N 30 113.629 113.629 112.292 1.337 17614 10695 1 10 . 1 1 18 18 ILE C C 30 176.456 176.456 176.329 0.127 17614 10696 1 10 . 1 1 18 18 ILE CA C 30 60.539 60.539 62.925 -2.386 17614 10697 1 10 . 1 1 18 18 ILE CB C 30 38.506 38.506 37.207 1.299 17614 10698 1 10 . 1 1 18 18 ILE H H 30 7.977 7.977 7.562 0.415 17614 10699 1 10 . 1 1 19 19 THR N N 31 113.314 113.314 113.408 -0.094 17614 10700 1 10 . 1 1 19 19 THR C C 31 174.045 174.045 174.797 -0.752 17614 10701 1 10 . 1 1 19 19 THR CA C 31 62.495 62.495 63.596 -1.101 17614 10702 1 10 . 1 1 19 19 THR CB C 31 69.898 69.898 69.777 0.121 17614 10703 1 10 . 1 1 19 19 THR H H 31 7.738 7.738 7.197 0.541 17614 10704 1 10 . 1 1 20 20 PHE N N 32 123.409 123.409 123.452 -0.043 17614 10705 1 10 . 1 1 20 20 PHE CA C 32 56.349 56.349 61.526 -5.178 17614 10706 1 10 . 1 1 20 20 PHE CB C 32 39.148 39.148 37.164 1.984 17614 10707 1 10 . 1 1 20 20 PHE H H 32 7.609 7.609 7.621 -0.012 17614 10708 1 10 . 1 1 21 21 PRO C C 33 177.831 177.831 177.565 0.266 17614 10709 1 10 . 1 1 21 21 PRO CA C 33 62.656 62.656 64.749 -2.093 17614 10710 1 10 . 1 1 21 21 PRO CB C 33 34.762 34.762 31.157 3.605 17614 10711 1 10 . 1 1 22 22 LEU N N 34 124.503 124.503 114.667 9.836 17614 10712 1 10 . 1 1 22 22 LEU C C 34 176.298 176.298 178.245 -1.947 17614 10713 1 10 . 1 1 22 22 LEU CA C 34 55.545 55.545 56.904 -1.359 17614 10714 1 10 . 1 1 22 22 LEU CB C 34 43.287 43.287 40.257 3.030 17614 10715 1 10 . 1 1 22 22 LEU H H 34 8.659 8.659 7.519 1.140 17614 10716 1 10 . 1 1 23 23 ASP N N 35 121.663 121.663 119.865 1.798 17614 10717 1 10 . 1 1 23 23 ASP C C 35 177.152 177.152 177.980 -0.828 17614 10718 1 10 . 1 1 23 23 ASP CA C 35 54.326 54.326 57.235 -2.909 17614 10719 1 10 . 1 1 23 23 ASP CB C 35 41.154 41.154 40.532 0.622 17614 10720 1 10 . 1 1 23 23 ASP H H 35 8.236 8.236 7.621 0.615 17614 10721 1 10 . 1 1 24 24 THR N N 36 115.977 115.977 112.034 3.943 17614 10722 1 10 . 1 1 24 24 THR C C 36 177.088 177.088 176.006 1.082 17614 10723 1 10 . 1 1 24 24 THR CA C 36 64.868 64.868 65.652 -0.784 17614 10724 1 10 . 1 1 24 24 THR CB C 36 69.053 69.053 68.465 0.589 17614 10725 1 10 . 1 1 24 24 THR H H 36 8.127 8.127 8.038 0.089 17614 10726 1 10 . 1 1 25 25 ALA N N 37 125.063 125.063 124.477 0.586 17614 10727 1 10 . 1 1 25 25 ALA C C 37 179.143 179.143 179.138 0.005 17614 10728 1 10 . 1 1 25 25 ALA CA C 37 55.234 55.234 54.758 0.476 17614 10729 1 10 . 1 1 25 25 ALA CB C 37 18.735 18.735 18.186 0.549 17614 10730 1 10 . 1 1 25 25 ALA H H 37 8.042 8.042 7.751 0.291 17614 10731 1 10 . 1 1 26 26 LYS N N 38 117.827 117.827 118.986 -1.159 17614 10732 1 10 . 1 1 26 26 LYS C C 38 178.239 178.239 178.287 -0.048 17614 10733 1 10 . 1 1 26 26 LYS CA C 38 58.861 58.861 59.225 -0.364 17614 10734 1 10 . 1 1 26 26 LYS CB C 38 32.724 32.724 32.304 0.420 17614 10735 1 10 . 1 1 26 26 LYS H H 38 7.759 7.759 7.415 0.344 17614 10736 1 10 . 1 1 27 27 VAL N N 39 118.955 118.955 118.115 0.840 17614 10737 1 10 . 1 1 27 27 VAL C C 39 177.892 177.892 177.724 0.168 17614 10738 1 10 . 1 1 27 27 VAL CA C 39 65.478 65.478 65.761 -0.283 17614 10739 1 10 . 1 1 27 27 VAL CB C 39 34.675 34.675 31.508 3.167 17614 10740 1 10 . 1 1 27 27 VAL H H 39 7.554 7.554 7.519 0.035 17614 10741 1 10 . 1 1 28 28 ARG N N 40 119.922 119.922 117.682 2.240 17614 10742 1 10 . 1 1 28 28 ARG C C 40 178.391 178.391 178.907 -0.516 17614 10743 1 10 . 1 1 28 28 ARG CA C 40 59.648 59.648 57.948 1.700 17614 10744 1 10 . 1 1 28 28 ARG CB C 40 29.933 29.933 30.138 -0.205 17614 10745 1 10 . 1 1 28 28 ARG H H 40 7.794 7.794 7.431 0.363 17614 10746 1 10 . 1 1 29 29 LEU N N 41 118.720 118.720 120.522 -1.802 17614 10747 1 10 . 1 1 29 29 LEU CA C 41 54.749 54.749 55.819 -1.069 17614 10748 1 10 . 1 1 29 29 LEU CB C 41 40.429 40.429 39.025 1.404 17614 10749 1 10 . 1 1 29 29 LEU H H 41 7.534 7.534 8.139 -0.605 17614 10750 1 10 . 1 1 37 37 GLY C C 49 174.779 174.779 175.112 -0.333 17614 10751 1 10 . 1 1 38 38 LEU N N 50 123.029 123.029 120.538 2.491 17614 10752 1 10 . 1 1 38 38 LEU C C 50 178.482 178.482 177.751 0.731 17614 10753 1 10 . 1 1 38 38 LEU CA C 50 56.765 56.765 57.166 -0.401 17614 10754 1 10 . 1 1 38 38 LEU CB C 50 41.673 41.673 41.931 -0.258 17614 10755 1 10 . 1 1 38 38 LEU H H 50 8.113 8.113 7.830 0.283 17614 10756 1 10 . 1 1 39 39 VAL N N 51 118.714 118.714 117.541 1.173 17614 10757 1 10 . 1 1 39 39 VAL C C 51 178.032 178.032 177.501 0.531 17614 10758 1 10 . 1 1 39 39 VAL CA C 51 66.037 66.037 65.282 0.755 17614 10759 1 10 . 1 1 39 39 VAL CB C 51 30.763 30.763 31.593 -0.830 17614 10760 1 10 . 1 1 39 39 VAL H H 51 7.974 7.974 8.173 -0.199 17614 10761 1 10 . 1 1 40 40 ARG N N 52 121.569 121.569 116.892 4.677 17614 10762 1 10 . 1 1 40 40 ARG CA C 52 59.167 59.167 58.613 0.554 17614 10763 1 10 . 1 1 40 40 ARG CB C 52 29.437 29.437 29.373 0.064 17614 10764 1 10 . 1 1 40 40 ARG H H 52 8.231 8.231 7.743 0.488 17614 10765 1 10 . 1 1 41 41 THR C C 53 175.108 175.108 174.138 0.970 17614 10766 1 10 . 1 1 41 41 THR H H 53 7.948 7.948 7.324 0.624 17614 10767 1 10 . 1 1 42 42 ALA N N 54 121.823 121.823 122.728 -0.905 17614 10768 1 10 . 1 1 42 42 ALA C C 54 174.922 174.922 175.516 -0.594 17614 10769 1 10 . 1 1 42 42 ALA CA C 54 50.101 50.101 51.036 -0.935 17614 10770 1 10 . 1 1 42 42 ALA CB C 54 18.950 18.950 20.344 -1.394 17614 10771 1 10 . 1 1 42 42 ALA H H 54 7.792 7.792 7.542 0.250 17614 10772 1 10 . 1 1 43 43 ALA N N 55 113.986 113.986 126.225 -12.239 17614 10773 1 10 . 1 1 43 43 ALA C C 55 178.007 178.007 177.065 0.942 17614 10774 1 10 . 1 1 43 43 ALA CA C 55 53.458 53.458 53.072 0.386 17614 10775 1 10 . 1 1 43 43 ALA CB C 55 18.809 18.809 19.230 -0.421 17614 10776 1 10 . 1 1 43 43 ALA H H 55 7.333 7.333 8.557 -1.224 17614 10777 1 10 . 1 1 44 44 SER N N 56 125.425 125.425 111.525 13.900 17614 10778 1 10 . 1 1 44 44 SER C C 56 174.899 174.899 174.130 0.769 17614 10779 1 10 . 1 1 44 44 SER CA C 56 59.520 59.520 57.181 2.339 17614 10780 1 10 . 1 1 44 44 SER CB C 56 64.051 64.051 64.120 -0.069 17614 10781 1 10 . 1 1 44 44 SER H H 56 7.786 7.786 7.542 0.244 17614 10782 1 10 . 1 1 45 45 ALA N N 57 118.183 118.183 121.448 -3.265 17614 10783 1 10 . 1 1 45 45 ALA CA C 57 53.783 53.783 53.534 0.249 17614 10784 1 10 . 1 1 45 45 ALA CB C 57 17.599 17.599 17.459 0.140 17614 10785 1 10 . 1 1 45 45 ALA H H 57 8.018 8.018 8.673 -0.655 17614 10786 1 10 . 1 1 47 47 TYR C C 59 177.662 177.662 175.676 1.986 17614 10787 1 10 . 1 1 48 48 ARG N N 60 122.798 122.798 123.459 -0.661 17614 10788 1 10 . 1 1 48 48 ARG C C 60 177.956 177.956 175.051 2.905 17614 10789 1 10 . 1 1 48 48 ARG CA C 60 58.711 58.711 56.749 1.962 17614 10790 1 10 . 1 1 48 48 ARG CB C 60 30.659 30.659 29.814 0.845 17614 10791 1 10 . 1 1 48 48 ARG H H 60 8.311 8.311 8.302 0.009 17614 10792 1 10 . 1 1 49 49 GLY N N 61 109.033 109.033 106.210 2.823 17614 10793 1 10 . 1 1 49 49 GLY C C 61 176.064 176.064 174.469 1.595 17614 10794 1 10 . 1 1 49 49 GLY CA C 61 46.592 46.592 44.354 2.238 17614 10795 1 10 . 1 1 49 49 GLY H H 61 8.182 8.182 8.137 0.045 17614 10796 1 10 . 1 1 50 50 VAL N N 62 123.218 123.218 123.930 -0.712 17614 10797 1 10 . 1 1 50 50 VAL C C 62 177.540 177.540 176.770 0.770 17614 10798 1 10 . 1 1 50 50 VAL CA C 62 66.277 66.277 64.641 1.636 17614 10799 1 10 . 1 1 50 50 VAL CB C 62 32.355 32.355 32.030 0.325 17614 10800 1 10 . 1 1 50 50 VAL H H 62 8.105 8.105 8.361 -0.256 17614 10801 1 10 . 1 1 51 51 LEU N N 63 120.295 120.295 120.774 -0.479 17614 10802 1 10 . 1 1 51 51 LEU C C 63 178.628 178.628 179.163 -0.535 17614 10803 1 10 . 1 1 51 51 LEU CA C 63 58.366 58.366 57.483 0.883 17614 10804 1 10 . 1 1 51 51 LEU CB C 63 41.675 41.675 39.992 1.683 17614 10805 1 10 . 1 1 51 51 LEU H H 63 8.182 8.182 8.276 -0.094 17614 10806 1 10 . 1 1 52 52 GLY N N 64 106.013 106.013 105.468 0.545 17614 10807 1 10 . 1 1 52 52 GLY C C 64 176.531 176.531 176.215 0.316 17614 10808 1 10 . 1 1 52 52 GLY CA C 64 47.765 47.765 47.300 0.465 17614 10809 1 10 . 1 1 52 52 GLY H H 64 8.102 8.102 8.339 -0.237 17614 10810 1 10 . 1 1 53 53 THR N N 65 120.842 120.842 118.800 2.042 17614 10811 1 10 . 1 1 53 53 THR C C 65 176.453 176.453 176.196 0.257 17614 10812 1 10 . 1 1 53 53 THR CA C 65 67.140 67.140 67.450 -0.310 17614 10813 1 10 . 1 1 53 53 THR CB C 65 69.161 69.161 68.612 0.548 17614 10814 1 10 . 1 1 53 53 THR H H 65 7.854 7.854 7.543 0.311 17614 10815 1 10 . 1 1 54 54 ILE N N 66 122.676 122.676 122.431 0.245 17614 10816 1 10 . 1 1 54 54 ILE C C 66 177.307 177.307 176.878 0.429 17614 10817 1 10 . 1 1 54 54 ILE CA C 66 65.832 65.832 64.138 1.694 17614 10818 1 10 . 1 1 54 54 ILE CB C 66 38.090 38.090 37.989 0.101 17614 10819 1 10 . 1 1 54 54 ILE H H 66 8.018 8.018 7.355 0.663 17614 10820 1 10 . 1 1 55 55 LEU N N 67 119.838 119.838 119.566 0.272 17614 10821 1 10 . 1 1 55 55 LEU C C 67 178.706 178.706 178.030 0.676 17614 10822 1 10 . 1 1 55 55 LEU CA C 67 58.491 58.491 57.985 0.506 17614 10823 1 10 . 1 1 55 55 LEU CB C 67 41.387 41.387 41.427 -0.040 17614 10824 1 10 . 1 1 55 55 LEU H H 67 8.291 8.291 7.532 0.759 17614 10825 1 10 . 1 1 56 56 THR N N 68 115.362 115.362 115.046 0.316 17614 10826 1 10 . 1 1 56 56 THR C C 68 176.764 176.764 176.604 0.160 17614 10827 1 10 . 1 1 56 56 THR CA C 68 67.040 67.040 66.751 0.289 17614 10828 1 10 . 1 1 56 56 THR CB C 68 69.403 69.403 68.762 0.641 17614 10829 1 10 . 1 1 56 56 THR H H 68 7.963 7.963 7.192 0.770 17614 10830 1 10 . 1 1 57 57 MET N N 69 122.960 122.960 119.615 3.345 17614 10831 1 10 . 1 1 57 57 MET C C 69 177.153 177.153 177.709 -0.556 17614 10832 1 10 . 1 1 57 57 MET CA C 69 59.710 59.710 59.384 0.326 17614 10833 1 10 . 1 1 57 57 MET CB C 69 33.111 33.111 32.190 0.922 17614 10834 1 10 . 1 1 57 57 MET H H 69 7.977 7.977 7.710 0.267 17614 10835 1 10 . 1 1 58 58 VAL N N 70 119.558 119.558 115.547 4.011 17614 10836 1 10 . 1 1 58 58 VAL C C 70 176.841 176.841 177.846 -1.005 17614 10837 1 10 . 1 1 58 58 VAL CA C 70 66.277 66.277 64.176 2.101 17614 10838 1 10 . 1 1 58 58 VAL CB C 70 31.362 31.362 31.350 0.012 17614 10839 1 10 . 1 1 58 58 VAL H H 70 7.751 7.751 7.403 0.348 17614 10840 1 10 . 1 1 59 59 ARG N N 71 118.002 118.002 118.515 -0.513 17614 10841 1 10 . 1 1 59 59 ARG C C 71 177.152 177.152 177.855 -0.703 17614 10842 1 10 . 1 1 59 59 ARG CA C 71 58.761 58.761 58.426 0.335 17614 10843 1 10 . 1 1 59 59 ARG CB C 71 30.656 30.656 30.118 0.538 17614 10844 1 10 . 1 1 59 59 ARG H H 71 7.827 7.827 7.522 0.305 17614 10845 1 10 . 1 1 60 60 THR N N 72 111.410 111.410 114.319 -2.909 17614 10846 1 10 . 1 1 60 60 THR C C 72 175.288 175.288 175.625 -0.337 17614 10847 1 10 . 1 1 60 60 THR CA C 72 64.194 64.194 65.557 -1.363 17614 10848 1 10 . 1 1 60 60 THR CB C 72 70.312 70.312 69.105 1.207 17614 10849 1 10 . 1 1 60 60 THR H H 72 7.745 7.745 7.642 0.103 17614 10850 1 10 . 1 1 61 61 GLU N N 73 120.577 120.577 118.145 2.432 17614 10851 1 10 . 1 1 61 61 GLU C C 73 177.696 177.696 175.610 2.086 17614 10852 1 10 . 1 1 61 61 GLU CA C 73 57.363 57.363 56.748 0.614 17614 10853 1 10 . 1 1 61 61 GLU CB C 73 30.927 30.927 32.350 -1.423 17614 10854 1 10 . 1 1 61 61 GLU H H 73 8.263 8.263 8.234 0.029 17614 10855 1 10 . 1 1 62 62 GLY N N 74 108.209 108.209 105.578 2.631 17614 10856 1 10 . 1 1 62 62 GLY CA C 74 45.593 45.593 44.552 1.041 17614 10857 1 10 . 1 1 62 62 GLY H H 74 7.841 7.841 7.437 0.404 17614 10858 1 10 . 1 1 63 63 PRO C C 75 177.152 177.152 178.475 -1.323 17614 10859 1 10 . 1 1 63 63 PRO CA C 75 65.652 65.652 64.422 1.230 17614 10860 1 10 . 1 1 63 63 PRO CB C 75 32.294 32.294 32.333 -0.039 17614 10861 1 10 . 1 1 64 64 ARG N N 76 118.553 118.553 118.181 0.372 17614 10862 1 10 . 1 1 64 64 ARG C C 76 177.696 177.696 178.061 -0.365 17614 10863 1 10 . 1 1 64 64 ARG CA C 76 59.785 59.785 58.483 1.302 17614 10864 1 10 . 1 1 64 64 ARG CB C 76 29.671 29.671 29.484 0.187 17614 10865 1 10 . 1 1 64 64 ARG H H 76 8.427 8.427 8.736 -0.309 17614 10866 1 10 . 1 1 65 65 SER N N 77 115.323 115.323 115.037 0.286 17614 10867 1 10 . 1 1 65 65 SER C C 77 177.230 177.230 175.378 1.852 17614 10868 1 10 . 1 1 65 65 SER CA C 77 61.318 61.318 61.025 0.293 17614 10869 1 10 . 1 1 65 65 SER CB C 77 63.281 63.281 63.189 0.092 17614 10870 1 10 . 1 1 65 65 SER H H 77 7.963 7.963 8.231 -0.268 17614 10871 1 10 . 1 1 66 66 LEU N N 78 122.598 122.598 120.808 1.790 17614 10872 1 10 . 1 1 66 66 LEU C C 78 177.696 177.696 177.596 0.100 17614 10873 1 10 . 1 1 66 66 LEU CA C 78 57.792 57.792 56.859 0.933 17614 10874 1 10 . 1 1 66 66 LEU CB C 78 42.202 42.202 42.162 0.040 17614 10875 1 10 . 1 1 66 66 LEU H H 78 7.595 7.595 7.417 0.178 17614 10876 1 10 . 1 1 67 67 TYR N N 79 119.276 119.276 112.379 6.897 17614 10877 1 10 . 1 1 67 67 TYR C C 79 176.142 176.142 176.049 0.093 17614 10878 1 10 . 1 1 67 67 TYR CA C 79 60.792 60.792 58.244 2.548 17614 10879 1 10 . 1 1 67 67 TYR CB C 79 38.687 38.687 38.195 0.492 17614 10880 1 10 . 1 1 67 67 TYR H H 79 7.868 7.868 7.363 0.505 17614 10881 1 10 . 1 1 68 68 ASN N N 80 117.249 117.249 118.113 -0.864 17614 10882 1 10 . 1 1 68 68 ASN C C 80 178.472 178.472 175.649 2.823 17614 10883 1 10 . 1 1 68 68 ASN CA C 80 53.024 53.024 52.816 0.208 17614 10884 1 10 . 1 1 68 68 ASN CB C 80 37.946 37.946 37.026 0.920 17614 10885 1 10 . 1 1 68 68 ASN H H 80 8.374 8.374 7.725 0.649 17614 10886 1 10 . 1 1 69 69 GLY N N 81 108.575 108.575 106.211 2.364 17614 10887 1 10 . 1 1 69 69 GLY C C 81 175.521 175.521 174.775 0.746 17614 10888 1 10 . 1 1 69 69 GLY CA C 81 46.266 46.266 45.375 0.891 17614 10889 1 10 . 1 1 69 69 GLY H H 81 8.086 8.086 7.817 0.269 17614 10890 1 10 . 1 1 70 70 LEU N N 82 124.326 124.326 122.791 1.535 17614 10891 1 10 . 1 1 70 70 LEU C C 82 178.239 178.239 177.470 0.769 17614 10892 1 10 . 1 1 70 70 LEU CA C 82 58.217 58.217 57.456 0.761 17614 10893 1 10 . 1 1 70 70 LEU CB C 82 42.351 42.351 42.072 0.279 17614 10894 1 10 . 1 1 70 70 LEU H H 82 7.991 7.991 7.688 0.303 17614 10895 1 10 . 1 1 71 71 VAL N N 83 117.727 117.727 118.075 -0.348 17614 10896 1 10 . 1 1 71 71 VAL C C 83 177.851 177.851 176.798 1.053 17614 10897 1 10 . 1 1 71 71 VAL CA C 83 64.113 64.113 64.840 -0.727 17614 10898 1 10 . 1 1 71 71 VAL CB C 83 31.924 31.924 31.415 0.510 17614 10899 1 10 . 1 1 71 71 VAL H H 83 8.004 8.004 8.118 -0.114 17614 10900 1 10 . 1 1 72 72 ALA N N 84 121.414 121.414 121.532 -0.118 17614 10901 1 10 . 1 1 72 72 ALA C C 84 180.570 180.570 179.369 1.201 17614 10902 1 10 . 1 1 72 72 ALA CA C 84 55.031 55.031 54.354 0.677 17614 10903 1 10 . 1 1 72 72 ALA CB C 84 18.286 18.286 18.411 -0.125 17614 10904 1 10 . 1 1 72 72 ALA H H 84 7.677 7.677 7.232 0.445 17614 10905 1 10 . 1 1 73 73 GLY N N 85 106.471 106.471 107.212 -0.741 17614 10906 1 10 . 1 1 73 73 GLY C C 85 175.521 175.521 176.061 -0.540 17614 10907 1 10 . 1 1 73 73 GLY CA C 85 47.191 47.191 46.630 0.561 17614 10908 1 10 . 1 1 73 73 GLY H H 85 7.963 7.963 7.710 0.253 17614 10909 1 10 . 1 1 74 74 LEU N N 86 122.326 122.326 121.918 0.408 17614 10910 1 10 . 1 1 74 74 LEU C C 86 178.239 178.239 178.765 -0.526 17614 10911 1 10 . 1 1 74 74 LEU CA C 86 57.493 57.493 57.334 0.159 17614 10912 1 10 . 1 1 74 74 LEU CB C 86 42.202 42.202 41.508 0.694 17614 10913 1 10 . 1 1 74 74 LEU H H 86 8.100 8.100 7.402 0.698 17614 10914 1 10 . 1 1 75 75 GLN N N 87 117.736 117.736 117.778 -0.042 17614 10915 1 10 . 1 1 75 75 GLN C C 87 177.340 177.340 177.950 -0.610 17614 10916 1 10 . 1 1 75 75 GLN CA C 87 57.787 57.787 58.868 -1.081 17614 10917 1 10 . 1 1 75 75 GLN CB C 87 28.942 28.942 28.087 0.855 17614 10918 1 10 . 1 1 75 75 GLN H H 87 8.004 8.004 7.917 0.087 17614 10919 1 10 . 1 1 76 76 ARG N N 88 118.107 118.107 120.456 -2.349 17614 10920 1 10 . 1 1 76 76 ARG C C 88 177.930 177.930 178.776 -0.846 17614 10921 1 10 . 1 1 76 76 ARG CA C 88 58.062 58.062 59.739 -1.677 17614 10922 1 10 . 1 1 76 76 ARG CB C 88 30.774 30.774 29.891 0.883 17614 10923 1 10 . 1 1 76 76 ARG H H 88 7.568 7.568 7.380 0.188 17614 10924 1 10 . 1 1 77 77 GLN N N 89 117.921 117.921 117.699 0.222 17614 10925 1 10 . 1 1 77 77 GLN C C 89 177.375 177.375 178.364 -0.989 17614 10926 1 10 . 1 1 77 77 GLN CA C 89 56.838 56.838 58.430 -1.592 17614 10927 1 10 . 1 1 77 77 GLN CB C 89 29.006 29.006 28.521 0.485 17614 10928 1 10 . 1 1 77 77 GLN H H 89 7.827 7.827 7.554 0.273 17614 10929 1 10 . 1 1 78 78 MET N N 90 118.378 118.378 118.730 -0.352 17614 10930 1 10 . 1 1 78 78 MET C C 90 176.365 176.365 178.168 -1.803 17614 10931 1 10 . 1 1 78 78 MET CA C 90 56.339 56.339 58.307 -1.968 17614 10932 1 10 . 1 1 78 78 MET CB C 90 33.444 33.444 32.239 1.205 17614 10933 1 10 . 1 1 78 78 MET H H 90 7.963 7.963 8.306 -0.343 17614 10934 1 10 . 1 1 79 79 SER N N 91 115.089 115.089 116.424 -1.335 17614 10935 1 10 . 1 1 79 79 SER C C 91 175.899 175.899 176.391 -0.492 17614 10936 1 10 . 1 1 79 79 SER CA C 91 58.621 58.621 60.917 -2.296 17614 10937 1 10 . 1 1 79 79 SER CB C 91 64.337 64.337 62.460 1.877 17614 10938 1 10 . 1 1 79 79 SER H H 91 7.868 7.868 7.881 -0.013 17614 10939 1 10 . 1 1 80 80 PHE N N 92 122.852 122.852 123.607 -0.755 17614 10940 1 10 . 1 1 80 80 PHE C C 92 177.375 177.375 176.397 0.978 17614 10941 1 10 . 1 1 80 80 PHE CA C 92 59.095 59.095 61.355 -2.260 17614 10942 1 10 . 1 1 80 80 PHE CB C 92 38.937 38.937 39.047 -0.110 17614 10943 1 10 . 1 1 80 80 PHE H H 92 8.332 8.332 7.532 0.800 17614 10944 1 10 . 1 1 81 81 ALA N N 93 123.258 123.258 120.431 2.827 17614 10945 1 10 . 1 1 81 81 ALA C C 93 178.628 178.628 179.066 -0.438 17614 10946 1 10 . 1 1 81 81 ALA CA C 93 54.881 54.881 54.229 0.652 17614 10947 1 10 . 1 1 81 81 ALA CB C 93 17.902 17.902 18.241 -0.339 17614 10948 1 10 . 1 1 81 81 ALA H H 93 8.223 8.223 7.753 0.470 17614 10949 1 10 . 1 1 82 82 SER N N 94 112.886 112.886 114.822 -1.936 17614 10950 1 10 . 1 1 82 82 SER C C 94 176.831 176.831 177.067 -0.236 17614 10951 1 10 . 1 1 82 82 SER CA C 94 60.319 60.319 61.158 -0.839 17614 10952 1 10 . 1 1 82 82 SER CB C 94 63.611 63.611 63.625 -0.014 17614 10953 1 10 . 1 1 82 82 SER H H 94 7.977 7.977 7.599 0.378 17614 10954 1 10 . 1 1 83 83 VAL N N 95 121.854 121.854 122.938 -1.084 17614 10955 1 10 . 1 1 83 83 VAL C C 95 176.220 176.220 175.736 0.484 17614 10956 1 10 . 1 1 83 83 VAL CA C 95 64.629 64.629 64.832 -0.203 17614 10957 1 10 . 1 1 83 83 VAL CB C 95 31.328 31.328 31.948 -0.620 17614 10958 1 10 . 1 1 83 83 VAL H H 95 7.581 7.581 8.062 -0.481 17614 10959 1 10 . 1 1 84 84 ARG N N 96 121.329 121.329 118.977 2.352 17614 10960 1 10 . 1 1 84 84 ARG C C 96 176.814 176.814 177.024 -0.210 17614 10961 1 10 . 1 1 84 84 ARG CA C 96 58.636 58.636 57.477 1.159 17614 10962 1 10 . 1 1 84 84 ARG CB C 96 30.672 30.672 28.843 1.829 17614 10963 1 10 . 1 1 84 84 ARG H H 96 7.936 7.936 7.029 0.907 17614 10964 1 10 . 1 1 85 85 ILE N N 97 119.194 119.194 118.699 0.495 17614 10965 1 10 . 1 1 85 85 ILE C C 97 177.152 177.152 175.948 1.204 17614 10966 1 10 . 1 1 85 85 ILE CA C 97 63.296 63.296 61.939 1.357 17614 10967 1 10 . 1 1 85 85 ILE CB C 97 38.757 38.757 38.800 -0.043 17614 10968 1 10 . 1 1 85 85 ILE H H 97 7.802 7.802 7.459 0.343 17614 10969 1 10 . 1 1 86 86 GLY N N 98 109.857 109.857 107.513 2.344 17614 10970 1 10 . 1 1 86 86 GLY C C 98 176.064 176.064 174.911 1.153 17614 10971 1 10 . 1 1 86 86 GLY CA C 98 46.941 46.941 46.176 0.765 17614 10972 1 10 . 1 1 86 86 GLY H H 98 8.127 8.127 7.705 0.422 17614 10973 1 10 . 1 1 87 87 LEU N N 99 123.258 123.258 122.548 0.710 17614 10974 1 10 . 1 1 87 87 LEU C C 99 177.856 177.856 178.445 -0.589 17614 10975 1 10 . 1 1 87 87 LEU CA C 99 58.264 58.264 56.933 1.331 17614 10976 1 10 . 1 1 87 87 LEU CB C 99 42.488 42.488 41.674 0.814 17614 10977 1 10 . 1 1 87 87 LEU H H 99 8.223 8.223 8.136 0.087 17614 10978 1 10 . 1 1 88 88 TYR N N 100 119.770 119.770 119.637 0.133 17614 10979 1 10 . 1 1 88 88 TYR C C 100 176.997 176.997 177.750 -0.753 17614 10980 1 10 . 1 1 88 88 TYR CA C 100 61.592 61.592 61.839 -0.247 17614 10981 1 10 . 1 1 88 88 TYR CB C 100 38.809 38.809 37.915 0.894 17614 10982 1 10 . 1 1 88 88 TYR H H 100 8.207 8.207 7.904 0.303 17614 10983 1 10 . 1 1 89 89 ASP N N 101 118.460 118.460 118.047 0.413 17614 10984 1 10 . 1 1 89 89 ASP C C 101 178.939 178.939 178.727 0.212 17614 10985 1 10 . 1 1 89 89 ASP CA C 101 57.797 57.797 57.291 0.506 17614 10986 1 10 . 1 1 89 89 ASP CB C 101 40.498 40.498 40.584 -0.085 17614 10987 1 10 . 1 1 89 89 ASP H H 101 8.401 8.401 8.476 -0.075 17614 10988 1 10 . 1 1 90 90 SER N N 102 116.022 116.022 115.324 0.698 17614 10989 1 10 . 1 1 90 90 SER C C 102 176.005 176.005 176.308 -0.303 17614 10990 1 10 . 1 1 90 90 SER CA C 102 62.791 62.791 61.521 1.270 17614 10991 1 10 . 1 1 90 90 SER CB C 102 64.211 64.211 63.156 1.055 17614 10992 1 10 . 1 1 90 90 SER H H 102 7.854 7.854 7.805 0.049 17614 10993 1 10 . 1 1 91 91 VAL N N 103 120.844 120.844 121.063 -0.219 17614 10994 1 10 . 1 1 91 91 VAL C C 103 177.307 177.307 177.035 0.272 17614 10995 1 10 . 1 1 91 91 VAL CA C 103 66.510 66.510 64.558 1.952 17614 10996 1 10 . 1 1 91 91 VAL CB C 103 31.965 31.965 32.006 -0.041 17614 10997 1 10 . 1 1 91 91 VAL H H 103 7.926 7.926 7.668 0.258 17614 10998 1 10 . 1 1 92 92 LYS N N 104 120.468 120.468 119.668 0.800 17614 10999 1 10 . 1 1 92 92 LYS C C 104 178.861 178.861 179.105 -0.244 17614 11000 1 10 . 1 1 92 92 LYS CA C 104 60.184 60.184 59.997 0.187 17614 11001 1 10 . 1 1 92 92 LYS CB C 104 31.979 31.979 32.266 -0.287 17614 11002 1 10 . 1 1 92 92 LYS H H 104 8.127 8.127 8.065 0.062 17614 11003 1 10 . 1 1 93 93 GLN N N 105 118.386 118.386 117.547 0.839 17614 11004 1 10 . 1 1 93 93 GLN C C 105 177.540 177.540 178.055 -0.515 17614 11005 1 10 . 1 1 93 93 GLN CA C 105 58.786 58.786 58.040 0.746 17614 11006 1 10 . 1 1 93 93 GLN CB C 105 28.377 28.377 28.711 -0.334 17614 11007 1 10 . 1 1 93 93 GLN H H 105 7.841 7.841 7.969 -0.128 17614 11008 1 10 . 1 1 94 94 PHE N N 106 119.471 119.471 118.322 1.149 17614 11009 1 10 . 1 1 94 94 PHE C C 106 176.531 176.531 175.270 1.261 17614 11010 1 10 . 1 1 94 94 PHE CA C 106 60.593 60.593 59.891 0.702 17614 11011 1 10 . 1 1 94 94 PHE CB C 106 39.459 39.459 39.335 0.124 17614 11012 1 10 . 1 1 94 94 PHE H H 106 7.772 7.772 7.590 0.182 17614 11013 1 10 . 1 1 95 95 TYR N N 107 118.288 118.288 114.678 3.610 17614 11014 1 10 . 1 1 95 95 TYR C C 107 176.220 176.220 176.447 -0.227 17614 11015 1 10 . 1 1 95 95 TYR CA C 107 60.543 60.543 59.188 1.355 17614 11016 1 10 . 1 1 95 95 TYR CB C 107 38.819 38.819 40.451 -1.632 17614 11017 1 10 . 1 1 95 95 TYR H H 107 8.045 8.045 7.386 0.659 17614 11018 1 10 . 1 1 96 96 THR N N 108 113.383 113.383 112.654 0.729 17614 11019 1 10 . 1 1 96 96 THR C C 108 175.288 175.288 173.864 1.424 17614 11020 1 10 . 1 1 96 96 THR CA C 108 64.094 64.094 62.518 1.576 17614 11021 1 10 . 1 1 96 96 THR CB C 108 69.986 69.986 69.562 0.423 17614 11022 1 10 . 1 1 96 96 THR H H 108 7.868 7.868 7.606 0.262 17614 11023 1 10 . 1 1 101 101 HIS C C 113 173.413 173.413 174.029 -0.616 17614 11024 1 10 . 1 1 101 101 HIS H H 113 7.968 7.968 9.025 -1.057 17614 11025 1 10 . 1 1 102 102 ALA N N 114 119.456 119.456 120.083 -0.627 17614 11026 1 10 . 1 1 102 102 ALA C C 114 177.851 177.851 175.892 1.959 17614 11027 1 10 . 1 1 102 102 ALA CA C 114 53.283 53.283 51.911 1.372 17614 11028 1 10 . 1 1 102 102 ALA CB C 114 19.362 19.362 19.146 0.215 17614 11029 1 10 . 1 1 102 102 ALA H H 114 8.433 8.433 7.827 0.606 17614 11030 1 10 . 1 1 103 103 GLY N N 115 108.484 108.484 105.281 3.203 17614 11031 1 10 . 1 1 103 103 GLY C C 115 174.822 174.822 175.138 -0.316 17614 11032 1 10 . 1 1 103 103 GLY CA C 115 45.968 45.968 45.392 0.576 17614 11033 1 10 . 1 1 103 103 GLY H H 115 8.250 8.250 8.156 0.094 17614 11034 1 10 . 1 1 104 104 ILE N N 116 121.139 121.139 121.152 -0.013 17614 11035 1 10 . 1 1 104 104 ILE C C 116 176.841 176.841 177.516 -0.675 17614 11036 1 10 . 1 1 104 104 ILE CA C 116 63.160 63.160 64.319 -1.159 17614 11037 1 10 . 1 1 104 104 ILE CB C 116 38.853 38.853 37.827 1.026 17614 11038 1 10 . 1 1 104 104 ILE H H 116 8.127 8.127 8.063 0.064 17614 11039 1 10 . 1 1 105 105 GLY N N 117 110.863 110.863 107.390 3.473 17614 11040 1 10 . 1 1 105 105 GLY C C 117 174.588 174.588 175.842 -1.254 17614 11041 1 10 . 1 1 105 105 GLY CA C 117 46.791 46.791 47.162 -0.371 17614 11042 1 10 . 1 1 105 105 GLY H H 117 8.509 8.509 8.406 0.103 17614 11043 1 10 . 1 1 106 106 SER N N 118 116.069 116.069 117.718 -1.649 17614 11044 1 10 . 1 1 106 106 SER C C 118 175.754 175.754 176.896 -1.142 17614 11045 1 10 . 1 1 106 106 SER CA C 118 60.319 60.319 61.270 -0.951 17614 11046 1 10 . 1 1 106 106 SER CB C 118 63.864 63.864 62.699 1.165 17614 11047 1 10 . 1 1 106 106 SER H H 118 7.991 7.991 8.110 -0.119 17614 11048 1 10 . 1 1 107 107 ARG N N 119 122.134 122.134 121.971 0.163 17614 11049 1 10 . 1 1 107 107 ARG C C 119 178.228 178.228 178.886 -0.658 17614 11050 1 10 . 1 1 107 107 ARG CA C 119 57.787 57.787 59.330 -1.543 17614 11051 1 10 . 1 1 107 107 ARG CB C 119 30.549 30.549 30.064 0.485 17614 11052 1 10 . 1 1 107 107 ARG H H 119 7.963 7.963 8.202 -0.239 17614 11053 1 10 . 1 1 108 108 LEU N N 120 120.403 120.403 121.631 -1.228 17614 11054 1 10 . 1 1 108 108 LEU C C 120 177.230 177.230 179.340 -2.110 17614 11055 1 10 . 1 1 108 108 LEU CA C 120 57.967 57.967 58.162 -0.195 17614 11056 1 10 . 1 1 108 108 LEU CB C 120 42.146 42.146 41.933 0.213 17614 11057 1 10 . 1 1 108 108 LEU H H 120 7.914 7.914 7.631 0.283 17614 11058 1 10 . 1 1 109 109 LEU N N 121 118.960 118.960 120.714 -1.754 17614 11059 1 10 . 1 1 109 109 LEU C C 121 177.152 177.152 179.080 -1.928 17614 11060 1 10 . 1 1 109 109 LEU CA C 121 55.495 55.495 57.585 -2.090 17614 11061 1 10 . 1 1 109 109 LEU CB C 121 42.238 42.238 42.004 0.234 17614 11062 1 10 . 1 1 109 109 LEU H H 121 7.718 7.718 8.312 -0.594 17614 11063 1 10 . 1 1 110 110 ALA N N 122 123.063 123.063 120.934 2.129 17614 11064 1 10 . 1 1 110 110 ALA C C 122 178.317 178.317 179.787 -1.470 17614 11065 1 10 . 1 1 110 110 ALA CA C 122 53.358 53.358 55.554 -2.196 17614 11066 1 10 . 1 1 110 110 ALA CB C 122 19.218 19.218 17.995 1.223 17614 11067 1 10 . 1 1 110 110 ALA H H 122 7.745 7.745 8.820 -1.075 17614 11068 1 10 . 1 1 111 111 GLY N N 123 107.843 107.843 106.366 1.477 17614 11069 1 10 . 1 1 111 111 GLY C C 123 176.912 176.912 176.334 0.578 17614 11070 1 10 . 1 1 111 111 GLY CA C 123 45.943 45.943 47.136 -1.193 17614 11071 1 10 . 1 1 111 111 GLY H H 123 8.113 8.113 8.826 -0.713 17614 11072 1 10 . 1 1 112 112 SER N N 124 116.105 116.105 117.340 -1.235 17614 11073 1 10 . 1 1 112 112 SER C C 124 175.574 175.574 176.951 -1.377 17614 11074 1 10 . 1 1 112 112 SER CA C 124 59.145 59.145 61.862 -2.717 17614 11075 1 10 . 1 1 112 112 SER CB C 124 64.211 64.211 62.717 1.494 17614 11076 1 10 . 1 1 112 112 SER H H 124 8.109 8.109 8.522 -0.413 17614 11077 1 10 . 1 1 113 113 THR N N 125 116.069 116.069 118.792 -2.723 17614 11078 1 10 . 1 1 113 113 THR C C 125 176.055 176.055 176.819 -0.764 17614 11079 1 10 . 1 1 113 113 THR CA C 125 66.921 66.921 66.408 0.513 17614 11080 1 10 . 1 1 113 113 THR CB C 125 69.682 69.682 68.790 0.892 17614 11081 1 10 . 1 1 113 113 THR H H 125 8.086 8.086 8.308 -0.222 17614 11082 1 10 . 1 1 114 114 THR N N 126 115.439 115.439 115.819 -0.380 17614 11083 1 10 . 1 1 114 114 THR C C 126 177.443 177.443 176.747 0.696 17614 11084 1 10 . 1 1 114 114 THR CA C 126 65.285 65.285 66.195 -0.910 17614 11085 1 10 . 1 1 114 114 THR CB C 126 68.364 68.364 68.029 0.335 17614 11086 1 10 . 1 1 114 114 THR H H 126 7.977 7.977 8.288 -0.311 17614 11087 1 10 . 1 1 115 115 GLY N N 127 115.453 115.453 109.129 6.324 17614 11088 1 10 . 1 1 115 115 GLY C C 127 174.215 174.215 175.187 -0.972 17614 11089 1 10 . 1 1 115 115 GLY CA C 127 46.117 46.117 46.653 -0.536 17614 11090 1 10 . 1 1 115 115 GLY H H 127 8.168 8.168 8.046 0.122 17614 11091 1 10 . 1 1 116 116 ALA N N 128 123.952 123.952 124.479 -0.527 17614 11092 1 10 . 1 1 116 116 ALA C C 128 178.162 178.162 179.793 -1.631 17614 11093 1 10 . 1 1 116 116 ALA CA C 128 53.349 53.349 54.695 -1.346 17614 11094 1 10 . 1 1 116 116 ALA CB C 128 19.099 19.099 18.252 0.848 17614 11095 1 10 . 1 1 116 116 ALA H H 128 7.919 7.919 7.433 0.486 17614 11096 1 10 . 1 1 117 117 LEU N N 129 120.025 120.025 118.582 1.443 17614 11097 1 10 . 1 1 117 117 LEU C C 129 177.949 177.949 178.964 -1.015 17614 11098 1 10 . 1 1 117 117 LEU CA C 129 56.019 56.019 57.335 -1.316 17614 11099 1 10 . 1 1 117 117 LEU CB C 129 42.340 42.340 41.791 0.549 17614 11100 1 10 . 1 1 117 117 LEU H H 129 7.936 7.936 7.528 0.408 17614 11101 1 10 . 1 1 118 118 ALA N N 130 123.402 123.402 121.196 2.206 17614 11102 1 10 . 1 1 118 118 ALA C C 130 177.929 177.929 179.441 -1.512 17614 11103 1 10 . 1 1 118 118 ALA CA C 130 53.283 53.283 55.117 -1.833 17614 11104 1 10 . 1 1 118 118 ALA CB C 130 18.964 18.964 18.260 0.704 17614 11105 1 10 . 1 1 118 118 ALA H H 130 7.868 7.868 8.064 -0.196 17614 11106 1 10 . 1 1 119 119 VAL N N 131 118.111 118.111 113.884 4.227 17614 11107 1 10 . 1 1 119 119 VAL C C 131 176.025 176.025 176.549 -0.524 17614 11108 1 10 . 1 1 119 119 VAL CA C 131 63.180 63.180 64.506 -1.326 17614 11109 1 10 . 1 1 119 119 VAL CB C 131 32.898 32.898 31.389 1.509 17614 11110 1 10 . 1 1 119 119 VAL H H 131 7.636 7.636 7.727 -0.091 17614 11111 1 10 . 1 1 120 120 ALA N N 132 124.047 124.047 122.347 1.700 17614 11112 1 10 . 1 1 120 120 ALA C C 132 179.008 179.008 179.057 -0.049 17614 11113 1 10 . 1 1 120 120 ALA CA C 132 53.707 53.707 54.735 -1.028 17614 11114 1 10 . 1 1 120 120 ALA CB C 132 19.150 19.150 18.775 0.375 17614 11115 1 10 . 1 1 120 120 ALA H H 132 7.911 7.911 7.614 0.297 17614 11116 1 10 . 1 1 121 121 VAL N N 133 113.349 113.349 116.544 -3.195 17614 11117 1 10 . 1 1 121 121 VAL C C 133 175.527 175.527 176.612 -1.085 17614 11118 1 10 . 1 1 121 121 VAL CA C 133 64.115 64.115 63.325 0.790 17614 11119 1 10 . 1 1 121 121 VAL CB C 133 31.832 31.832 32.146 -0.314 17614 11120 1 10 . 1 1 121 121 VAL H H 133 7.094 7.094 7.426 -0.332 17614 11121 1 10 . 1 1 122 122 ALA N N 134 123.224 123.224 121.818 1.406 17614 11122 1 10 . 1 1 122 122 ALA CA C 134 55.493 55.493 51.630 3.863 17614 11123 1 10 . 1 1 122 122 ALA H H 134 7.586 7.586 7.579 0.007 17614 11124 1 10 . 1 1 124 124 PRO C C 136 177.074 177.074 178.213 -1.139 17614 11125 1 10 . 1 1 125 125 THR N N 137 113.281 113.281 109.105 4.176 17614 11126 1 10 . 1 1 125 125 THR C C 137 174.485 174.485 176.723 -2.238 17614 11127 1 10 . 1 1 125 125 THR CA C 137 64.496 64.496 66.319 -1.823 17614 11128 1 10 . 1 1 125 125 THR CB C 137 69.997 69.997 67.817 2.180 17614 11129 1 10 . 1 1 125 125 THR H H 137 7.963 7.963 8.341 -0.378 17614 11130 1 10 . 1 1 126 126 ASP N N 138 122.770 122.770 123.071 -0.301 17614 11131 1 10 . 1 1 126 126 ASP C C 138 178.458 178.458 178.769 -0.311 17614 11132 1 10 . 1 1 126 126 ASP CA C 138 56.776 56.776 57.313 -0.537 17614 11133 1 10 . 1 1 126 126 ASP CB C 138 41.023 41.023 40.238 0.785 17614 11134 1 10 . 1 1 126 126 ASP H H 138 8.094 8.094 7.657 0.437 17614 11135 1 10 . 1 1 127 127 VAL N N 139 119.931 119.931 119.293 0.638 17614 11136 1 10 . 1 1 127 127 VAL C C 139 177.502 177.502 178.158 -0.656 17614 11137 1 10 . 1 1 127 127 VAL CA C 139 66.455 66.455 66.256 0.199 17614 11138 1 10 . 1 1 127 127 VAL CB C 139 32.804 32.804 31.450 1.354 17614 11139 1 10 . 1 1 127 127 VAL H H 139 7.753 7.753 7.905 -0.152 17614 11140 1 10 . 1 1 128 128 VAL N N 140 120.539 120.539 117.142 3.397 17614 11141 1 10 . 1 1 128 128 VAL C C 140 176.232 176.232 177.968 -1.736 17614 11142 1 10 . 1 1 128 128 VAL CA C 140 66.770 66.770 66.784 -0.014 17614 11143 1 10 . 1 1 128 128 VAL CB C 140 32.086 32.086 30.701 1.385 17614 11144 1 10 . 1 1 128 128 VAL H H 140 8.295 8.295 8.039 0.256 17614 11145 1 10 . 1 1 129 129 LYS N N 141 120.122 120.122 120.866 -0.744 17614 11146 1 10 . 1 1 129 129 LYS C C 141 176.120 176.120 179.276 -3.156 17614 11147 1 10 . 1 1 129 129 LYS CA C 141 55.991 55.991 59.802 -3.811 17614 11148 1 10 . 1 1 129 129 LYS CB C 141 31.712 31.712 32.287 -0.575 17614 11149 1 10 . 1 1 129 129 LYS H H 141 7.698 7.698 7.562 0.136 17614 11150 1 10 . 1 1 130 130 VAL N N 142 120.104 120.104 117.060 3.044 17614 11151 1 10 . 1 1 130 130 VAL CA C 142 63.230 63.230 65.954 -2.724 17614 11152 1 10 . 1 1 130 130 VAL H H 142 7.772 7.772 7.436 0.336 17614 11153 1 10 . 1 1 131 131 ARG C C 143 178.401 178.401 178.809 -0.408 17614 11154 1 10 . 1 1 131 131 ARG H H 143 7.999 7.999 7.850 0.149 17614 11155 1 10 . 1 1 132 132 PHE N N 144 120.445 120.445 120.434 0.011 17614 11156 1 10 . 1 1 132 132 PHE C C 144 177.856 177.856 176.179 1.677 17614 11157 1 10 . 1 1 132 132 PHE CA C 144 61.438 61.438 60.901 0.537 17614 11158 1 10 . 1 1 132 132 PHE H H 144 8.395 8.395 8.765 -0.370 17614 11159 1 10 . 1 1 133 133 GLN N N 145 124.180 124.180 116.666 7.514 17614 11160 1 10 . 1 1 133 133 GLN C C 145 174.844 174.844 177.625 -2.781 17614 11161 1 10 . 1 1 133 133 GLN CA C 145 56.414 56.414 57.744 -1.330 17614 11162 1 10 . 1 1 133 133 GLN CB C 145 30.721 30.721 29.047 1.673 17614 11163 1 10 . 1 1 133 133 GLN H H 145 8.094 8.094 7.757 0.337 17614 11164 1 10 . 1 1 134 134 ALA N N 146 120.452 120.452 120.521 -0.069 17614 11165 1 10 . 1 1 134 134 ALA C C 146 177.929 177.929 177.877 0.052 17614 11166 1 10 . 1 1 134 134 ALA CA C 146 53.483 53.483 53.029 0.455 17614 11167 1 10 . 1 1 134 134 ALA CB C 146 18.431 18.431 18.884 -0.453 17614 11168 1 10 . 1 1 134 134 ALA H H 146 7.939 7.939 7.391 0.548 17614 11169 1 10 . 1 1 135 135 GLN N N 147 119.388 119.388 119.266 0.122 17614 11170 1 10 . 1 1 135 135 GLN C C 147 176.029 176.029 175.056 0.973 17614 11171 1 10 . 1 1 135 135 GLN CA C 147 56.339 56.339 56.301 0.038 17614 11172 1 10 . 1 1 135 135 GLN CB C 147 29.444 29.444 28.590 0.854 17614 11173 1 10 . 1 1 135 135 GLN H H 147 8.072 8.072 7.554 0.518 17614 11174 1 10 . 1 1 136 136 ALA N N 148 125.199 125.199 128.692 -3.493 17614 11175 1 10 . 1 1 136 136 ALA C C 148 177.766 177.766 178.079 -0.313 17614 11176 1 10 . 1 1 136 136 ALA CA C 148 53.108 53.108 52.522 0.586 17614 11177 1 10 . 1 1 136 136 ALA CB C 148 19.151 19.151 19.265 -0.114 17614 11178 1 10 . 1 1 136 136 ALA H H 148 8.055 8.055 8.393 -0.338 17614 11179 1 10 . 1 1 137 137 ARG N N 149 120.208 120.208 119.376 0.832 17614 11180 1 10 . 1 1 137 137 ARG CA C 149 56.414 56.414 56.168 0.246 17614 11181 1 10 . 1 1 137 137 ARG CB C 149 30.749 30.749 30.738 0.011 17614 11182 1 10 . 1 1 137 137 ARG H H 149 8.018 8.018 7.853 0.165 17614 11183 1 10 . 1 1 147 147 THR C C 159 175.928 175.928 176.585 -0.657 17614 11184 1 10 . 1 1 148 148 VAL N N 160 118.321 118.321 121.026 -2.705 17614 11185 1 10 . 1 1 148 148 VAL C C 160 177.749 177.749 178.126 -0.377 17614 11186 1 10 . 1 1 148 148 VAL CA C 160 64.126 64.126 66.294 -2.168 17614 11187 1 10 . 1 1 148 148 VAL CB C 160 31.343 31.343 31.262 0.081 17614 11188 1 10 . 1 1 148 148 VAL H H 160 8.073 8.073 7.863 0.210 17614 11189 1 10 . 1 1 149 149 GLU N N 161 122.379 122.379 120.051 2.328 17614 11190 1 10 . 1 1 149 149 GLU C C 161 178.783 178.783 178.468 0.315 17614 11191 1 10 . 1 1 149 149 GLU CA C 161 59.550 59.550 59.151 0.398 17614 11192 1 10 . 1 1 149 149 GLU CB C 161 29.597 29.597 29.361 0.236 17614 11193 1 10 . 1 1 149 149 GLU H H 161 8.204 8.204 7.652 0.552 17614 11194 1 10 . 1 1 150 150 ALA N N 162 122.845 122.845 122.649 0.196 17614 11195 1 10 . 1 1 150 150 ALA C C 162 179.948 179.948 179.380 0.568 17614 11196 1 10 . 1 1 150 150 ALA CA C 162 55.181 55.181 55.232 -0.051 17614 11197 1 10 . 1 1 150 150 ALA CB C 162 18.154 18.154 18.392 -0.238 17614 11198 1 10 . 1 1 150 150 ALA H H 162 7.786 7.786 8.454 -0.668 17614 11199 1 10 . 1 1 151 151 TYR N N 163 118.902 118.902 119.593 -0.691 17614 11200 1 10 . 1 1 151 151 TYR C C 163 177.273 177.273 177.898 -0.625 17614 11201 1 10 . 1 1 151 151 TYR CA C 163 61.068 61.068 61.791 -0.723 17614 11202 1 10 . 1 1 151 151 TYR CB C 163 37.898 37.898 38.695 -0.797 17614 11203 1 10 . 1 1 151 151 TYR H H 163 7.922 7.922 8.387 -0.465 17614 11204 1 10 . 1 1 152 152 LYS N N 164 119.939 119.939 118.350 1.589 17614 11205 1 10 . 1 1 152 152 LYS C C 164 178.239 178.239 179.296 -1.057 17614 11206 1 10 . 1 1 152 152 LYS CA C 164 60.309 60.309 59.695 0.614 17614 11207 1 10 . 1 1 152 152 LYS CB C 164 32.504 32.504 32.599 -0.095 17614 11208 1 10 . 1 1 152 152 LYS H H 164 8.223 8.223 7.758 0.465 17614 11209 1 10 . 1 1 153 153 THR N N 165 115.262 115.262 115.508 -0.246 17614 11210 1 10 . 1 1 153 153 THR C C 165 175.676 175.676 176.529 -0.853 17614 11211 1 10 . 1 1 153 153 THR CA C 165 66.516 66.516 66.678 -0.162 17614 11212 1 10 . 1 1 153 153 THR CB C 165 69.367 69.367 68.650 0.717 17614 11213 1 10 . 1 1 153 153 THR H H 165 7.745 7.745 8.046 -0.301 17614 11214 1 10 . 1 1 154 154 ILE N N 166 121.571 121.571 117.762 3.809 17614 11215 1 10 . 1 1 154 154 ILE C C 166 177.307 177.307 177.499 -0.192 17614 11216 1 10 . 1 1 154 154 ILE CA C 166 64.634 64.634 64.733 -0.099 17614 11217 1 10 . 1 1 154 154 ILE CB C 166 38.896 38.896 36.846 2.050 17614 11218 1 10 . 1 1 154 154 ILE H H 166 7.540 7.540 7.350 0.190 17614 11219 1 10 . 1 1 155 155 ALA N N 167 121.983 121.983 123.544 -1.561 17614 11220 1 10 . 1 1 155 155 ALA C C 167 178.395 178.395 179.942 -1.547 17614 11221 1 10 . 1 1 155 155 ALA CA C 167 54.656 54.656 54.610 0.046 17614 11222 1 10 . 1 1 155 155 ALA CB C 167 18.486 18.486 18.005 0.481 17614 11223 1 10 . 1 1 155 155 ALA H H 167 8.059 8.059 7.677 0.382 17614 11224 1 10 . 1 1 156 156 ARG N N 168 116.369 116.369 119.150 -2.781 17614 11225 1 10 . 1 1 156 156 ARG C C 168 177.307 177.307 178.470 -1.163 17614 11226 1 10 . 1 1 156 156 ARG CA C 168 58.486 58.486 58.694 -0.208 17614 11227 1 10 . 1 1 156 156 ARG CB C 168 30.930 30.930 30.218 0.712 17614 11228 1 10 . 1 1 156 156 ARG H H 168 7.690 7.690 7.777 -0.087 17614 11229 1 10 . 1 1 157 157 GLU N N 169 118.667 118.667 117.466 1.201 17614 11230 1 10 . 1 1 157 157 GLU C C 169 177.696 177.696 178.261 -0.565 17614 11231 1 10 . 1 1 157 157 GLU CA C 169 58.212 58.212 58.369 -0.157 17614 11232 1 10 . 1 1 157 157 GLU CB C 169 30.357 30.357 29.819 0.538 17614 11233 1 10 . 1 1 157 157 GLU H H 169 8.045 8.045 7.722 0.323 17614 11234 1 10 . 1 1 158 158 GLU N N 170 118.202 118.202 117.478 0.724 17614 11235 1 10 . 1 1 158 158 GLU C C 170 177.878 177.878 176.997 0.881 17614 11236 1 10 . 1 1 158 158 GLU CA C 170 57.363 57.363 56.797 0.566 17614 11237 1 10 . 1 1 158 158 GLU CB C 170 31.277 31.277 31.107 0.170 17614 11238 1 10 . 1 1 158 158 GLU H H 170 8.550 8.550 8.333 0.217 17614 11239 1 10 . 1 1 159 159 GLY N N 171 108.941 108.941 107.448 1.493 17614 11240 1 10 . 1 1 159 159 GLY C C 171 174.433 174.433 174.867 -0.434 17614 11241 1 10 . 1 1 159 159 GLY CA C 171 45.193 45.193 44.478 0.715 17614 11242 1 10 . 1 1 159 159 GLY H H 171 7.881 7.881 7.511 0.370 17614 11243 1 10 . 1 1 160 160 ILE N N 172 120.842 120.842 116.858 3.984 17614 11244 1 10 . 1 1 160 160 ILE C C 172 176.997 176.997 176.521 0.476 17614 11245 1 10 . 1 1 160 160 ILE CA C 172 63.810 63.810 63.239 0.571 17614 11246 1 10 . 1 1 160 160 ILE CB C 172 38.516 38.516 37.391 1.125 17614 11247 1 10 . 1 1 160 160 ILE H H 172 8.550 8.550 8.038 0.512 17614 11248 1 10 . 1 1 161 161 ARG N N 173 119.480 119.480 120.943 -1.463 17614 11249 1 10 . 1 1 161 161 ARG C C 173 178.084 178.084 178.347 -0.263 17614 11250 1 10 . 1 1 161 161 ARG CA C 173 58.711 58.711 58.834 -0.123 17614 11251 1 10 . 1 1 161 161 ARG CB C 173 29.796 29.796 29.343 0.453 17614 11252 1 10 . 1 1 161 161 ARG H H 173 8.277 8.277 7.980 0.297 17614 11253 1 10 . 1 1 162 162 GLY N N 174 106.379 106.379 107.277 -0.898 17614 11254 1 10 . 1 1 162 162 GLY C C 174 175.210 175.210 176.478 -1.268 17614 11255 1 10 . 1 1 162 162 GLY CA C 174 46.767 46.767 46.575 0.192 17614 11256 1 10 . 1 1 162 162 GLY H H 174 7.690 7.690 7.930 -0.240 17614 11257 1 10 . 1 1 163 163 LEU N N 175 120.664 120.664 121.626 -0.962 17614 11258 1 10 . 1 1 163 163 LEU C C 175 177.971 177.971 178.645 -0.674 17614 11259 1 10 . 1 1 163 163 LEU CA C 175 57.104 57.104 56.942 0.162 17614 11260 1 10 . 1 1 163 163 LEU CB C 175 42.559 42.559 42.035 0.524 17614 11261 1 10 . 1 1 163 163 LEU H H 175 7.554 7.554 7.079 0.475 17614 11262 1 10 . 1 1 164 164 TRP N N 176 117.031 117.031 117.210 -0.179 17614 11263 1 10 . 1 1 164 164 TRP C C 176 176.987 176.987 177.476 -0.489 17614 11264 1 10 . 1 1 164 164 TRP CA C 176 57.672 57.672 55.126 2.546 17614 11265 1 10 . 1 1 164 164 TRP CB C 176 29.796 29.796 27.522 2.274 17614 11266 1 10 . 1 1 164 164 TRP H H 176 7.499 7.499 7.830 -0.331 17614 11267 1 10 . 1 1 165 165 LYS N N 177 120.567 120.567 120.229 0.338 17614 11268 1 10 . 1 1 165 165 LYS C C 177 177.152 177.152 178.087 -0.935 17614 11269 1 10 . 1 1 165 165 LYS CA C 177 57.712 57.712 60.157 -2.445 17614 11270 1 10 . 1 1 165 165 LYS CB C 177 32.890 32.890 32.052 0.838 17614 11271 1 10 . 1 1 165 165 LYS H H 177 7.595 7.595 7.340 0.255 17614 11272 1 10 . 1 1 166 166 GLY N N 178 108.667 108.667 103.269 5.398 17614 11273 1 10 . 1 1 166 166 GLY C C 178 174.045 174.045 175.732 -1.687 17614 11274 1 10 . 1 1 166 166 GLY CA C 178 45.893 45.893 45.913 -0.020 17614 11275 1 10 . 1 1 166 166 GLY H H 178 7.881 7.881 7.990 -0.109 17614 11276 1 10 . 1 1 167 167 THR N N 179 115.080 115.080 118.570 -3.490 17614 11277 1 10 . 1 1 167 167 THR C C 179 175.192 175.192 176.244 -1.052 17614 11278 1 10 . 1 1 167 167 THR CA C 179 66.521 66.521 67.315 -0.794 17614 11279 1 10 . 1 1 167 167 THR CB C 179 70.079 70.079 68.544 1.535 17614 11280 1 10 . 1 1 167 167 THR H H 179 7.622 7.622 7.867 -0.245 17614 11281 1 10 . 1 1 168 168 SER N N 180 117.754 117.754 116.069 1.685 17614 11282 1 10 . 1 1 168 168 SER CA C 180 63.123 63.123 62.921 0.202 17614 11283 1 10 . 1 1 168 168 SER CB C 180 62.045 62.045 62.254 -0.209 17614 11284 1 10 . 1 1 168 168 SER H H 180 8.195 8.195 7.884 0.311 17614 11285 1 10 . 1 1 170 170 ASN C C 182 177.348 177.348 177.727 -0.379 17614 11286 1 10 . 1 1 171 171 VAL N N 183 118.118 118.118 120.233 -2.115 17614 11287 1 10 . 1 1 171 171 VAL C C 183 176.944 176.944 177.709 -0.765 17614 11288 1 10 . 1 1 171 171 VAL CA C 183 65.244 65.244 66.349 -1.105 17614 11289 1 10 . 1 1 171 171 VAL CB C 183 32.508 32.508 31.026 1.482 17614 11290 1 10 . 1 1 171 171 VAL H H 183 7.861 7.861 7.694 0.167 17614 11291 1 10 . 1 1 172 172 ALA N N 184 122.284 122.284 122.527 -0.243 17614 11292 1 10 . 1 1 172 172 ALA C C 184 178.317 178.317 178.792 -0.475 17614 11293 1 10 . 1 1 172 172 ALA CA C 184 55.339 55.339 55.392 -0.053 17614 11294 1 10 . 1 1 172 172 ALA CB C 184 28.230 28.230 18.259 9.971 17614 11295 1 10 . 1 1 172 172 ALA H H 184 8.097 8.097 7.634 0.463 17614 11296 1 10 . 1 1 173 173 ARG N N 185 117.321 117.321 119.516 -2.195 17614 11297 1 10 . 1 1 173 173 ARG C C 185 177.527 177.527 178.219 -0.692 17614 11298 1 10 . 1 1 173 173 ARG CA C 185 59.543 59.543 59.555 -0.012 17614 11299 1 10 . 1 1 173 173 ARG CB C 185 29.767 29.767 30.101 -0.334 17614 11300 1 10 . 1 1 173 173 ARG H H 185 7.611 7.611 8.247 -0.636 17614 11301 1 10 . 1 1 174 174 ASN N N 186 117.294 117.294 117.850 -0.556 17614 11302 1 10 . 1 1 174 174 ASN C C 186 176.599 176.599 177.341 -0.742 17614 11303 1 10 . 1 1 174 174 ASN CA C 186 56.659 56.659 56.429 0.230 17614 11304 1 10 . 1 1 174 174 ASN CB C 186 39.454 39.454 38.588 0.866 17614 11305 1 10 . 1 1 174 174 ASN H H 186 8.048 8.048 7.951 0.097 17614 11306 1 10 . 1 1 175 175 ALA N N 187 121.003 121.003 122.887 -1.884 17614 11307 1 10 . 1 1 175 175 ALA C C 187 178.713 178.713 179.628 -0.915 17614 11308 1 10 . 1 1 175 175 ALA CA C 187 55.520 55.520 55.044 0.476 17614 11309 1 10 . 1 1 175 175 ALA CB C 187 18.097 18.097 18.621 -0.524 17614 11310 1 10 . 1 1 175 175 ALA H H 187 7.322 7.322 7.762 -0.440 17614 11311 1 10 . 1 1 176 176 ILE N N 188 119.319 119.319 119.672 -0.353 17614 11312 1 10 . 1 1 176 176 ILE C C 188 176.634 176.634 177.427 -0.793 17614 11313 1 10 . 1 1 176 176 ILE CA C 188 64.225 64.225 63.919 0.306 17614 11314 1 10 . 1 1 176 176 ILE CB C 188 37.658 37.658 38.264 -0.605 17614 11315 1 10 . 1 1 176 176 ILE H H 188 7.779 7.779 8.015 -0.236 17614 11316 1 10 . 1 1 177 177 VAL N N 189 117.265 117.265 118.015 -0.750 17614 11317 1 10 . 1 1 177 177 VAL C C 189 177.529 177.529 177.456 0.073 17614 11318 1 10 . 1 1 177 177 VAL CA C 189 65.562 65.562 67.188 -1.626 17614 11319 1 10 . 1 1 177 177 VAL CB C 189 31.407 31.407 31.117 0.290 17614 11320 1 10 . 1 1 177 177 VAL H H 189 7.776 7.776 7.913 -0.137 17614 11321 1 10 . 1 1 178 178 ASN N N 190 118.736 118.736 119.835 -1.099 17614 11322 1 10 . 1 1 178 178 ASN C C 190 176.476 176.476 177.445 -0.969 17614 11323 1 10 . 1 1 178 178 ASN CA C 190 56.813 56.813 56.454 0.359 17614 11324 1 10 . 1 1 178 178 ASN CB C 190 38.268 38.268 38.844 -0.576 17614 11325 1 10 . 1 1 178 178 ASN H H 190 7.800 7.800 7.877 -0.077 17614 11326 1 10 . 1 1 179 179 CYS N N 191 120.152 120.152 119.625 0.527 17614 11327 1 10 . 1 1 179 179 CYS C C 191 175.831 175.831 176.771 -0.940 17614 11328 1 10 . 1 1 179 179 CYS CA C 191 60.293 60.293 62.806 -2.513 17614 11329 1 10 . 1 1 179 179 CYS CB C 191 41.566 41.566 27.051 14.515 17614 11330 1 10 . 1 1 179 179 CYS H H 191 7.784 7.784 8.105 -0.321 17614 11331 1 10 . 1 1 180 180 ALA N N 192 121.963 121.963 122.643 -0.680 17614 11332 1 10 . 1 1 180 180 ALA C C 192 178.395 178.395 179.368 -0.973 17614 11333 1 10 . 1 1 180 180 ALA CA C 192 55.280 55.280 55.165 0.115 17614 11334 1 10 . 1 1 180 180 ALA CB C 192 18.008 18.008 18.241 -0.233 17614 11335 1 10 . 1 1 180 180 ALA H H 192 8.141 8.141 8.742 -0.601 17614 11336 1 10 . 1 1 181 181 GLU N N 193 114.548 114.548 119.919 -5.371 17614 11337 1 10 . 1 1 181 181 GLU C C 193 176.764 176.764 178.882 -2.118 17614 11338 1 10 . 1 1 181 181 GLU CA C 193 58.262 58.262 59.445 -1.183 17614 11339 1 10 . 1 1 181 181 GLU CB C 193 29.342 29.342 29.472 -0.130 17614 11340 1 10 . 1 1 181 181 GLU H H 193 7.595 7.595 8.503 -0.908 17614 11341 1 10 . 1 1 182 182 LEU N N 194 117.659 117.659 120.297 -2.638 17614 11342 1 10 . 1 1 182 182 LEU C C 194 176.904 176.904 178.707 -1.803 17614 11343 1 10 . 1 1 182 182 LEU CA C 194 55.695 55.695 57.523 -1.828 17614 11344 1 10 . 1 1 182 182 LEU CB C 194 41.655 41.655 41.061 0.594 17614 11345 1 10 . 1 1 182 182 LEU H H 194 7.459 7.459 8.313 -0.854 17614 11346 1 10 . 1 1 183 183 VAL N N 195 117.842 117.842 118.662 -0.820 17614 11347 1 10 . 1 1 183 183 VAL C C 195 177.150 177.150 178.434 -1.284 17614 11348 1 10 . 1 1 183 183 VAL CA C 195 64.054 64.054 66.487 -2.433 17614 11349 1 10 . 1 1 183 183 VAL CB C 195 31.079 31.079 31.393 -0.314 17614 11350 1 10 . 1 1 183 183 VAL H H 195 7.363 7.363 7.540 -0.177 17614 11351 1 10 . 1 1 184 184 THR N N 196 122.439 122.439 117.011 5.428 17614 11352 1 10 . 1 1 184 184 THR C C 196 175.055 175.055 176.500 -1.445 17614 11353 1 10 . 1 1 184 184 THR CA C 196 65.500 65.500 66.690 -1.190 17614 11354 1 10 . 1 1 184 184 THR CB C 196 69.490 69.490 68.790 0.700 17614 11355 1 10 . 1 1 184 184 THR H H 196 7.940 7.940 8.132 -0.192 17614 11356 1 10 . 1 1 185 185 TYR N N 197 122.430 122.430 122.436 -0.006 17614 11357 1 10 . 1 1 185 185 TYR C C 197 177.152 177.152 176.720 0.432 17614 11358 1 10 . 1 1 185 185 TYR CA C 197 61.892 61.892 61.818 0.074 17614 11359 1 10 . 1 1 185 185 TYR CB C 197 38.085 38.085 38.486 -0.401 17614 11360 1 10 . 1 1 185 185 TYR H H 197 9.123 9.123 8.957 0.166 17614 11361 1 10 . 1 1 186 186 ASP N N 198 117.750 117.750 118.747 -0.997 17614 11362 1 10 . 1 1 186 186 ASP C C 198 177.696 177.696 178.391 -0.695 17614 11363 1 10 . 1 1 186 186 ASP CA C 198 57.822 57.822 57.528 0.294 17614 11364 1 10 . 1 1 186 186 ASP CB C 198 40.500 40.500 40.113 0.387 17614 11365 1 10 . 1 1 186 186 ASP H H 198 8.263 8.263 7.901 0.362 17614 11366 1 10 . 1 1 187 187 LEU N N 199 120.698 120.698 119.007 1.691 17614 11367 1 10 . 1 1 187 187 LEU C C 199 180.104 180.104 178.950 1.154 17614 11368 1 10 . 1 1 187 187 LEU CA C 199 58.092 58.092 57.279 0.813 17614 11369 1 10 . 1 1 187 187 LEU CB C 199 42.559 42.559 40.932 1.627 17614 11370 1 10 . 1 1 187 187 LEU H H 199 7.636 7.636 7.364 0.272 17614 11371 1 10 . 1 1 188 188 ILE N N 200 121.136 121.136 118.667 2.469 17614 11372 1 10 . 1 1 188 188 ILE C C 200 176.919 176.919 177.330 -0.411 17614 11373 1 10 . 1 1 188 188 ILE CA C 200 65.482 65.482 64.667 0.815 17614 11374 1 10 . 1 1 188 188 ILE CB C 200 37.949 37.949 37.418 0.531 17614 11375 1 10 . 1 1 188 188 ILE H H 200 7.718 7.718 7.196 0.522 17614 11376 1 10 . 1 1 189 189 LYS N N 201 120.587 120.587 118.085 2.502 17614 11377 1 10 . 1 1 189 189 LYS C C 201 177.696 177.696 178.581 -0.885 17614 11378 1 10 . 1 1 189 189 LYS CA C 201 60.683 60.683 59.066 1.617 17614 11379 1 10 . 1 1 189 189 LYS CB C 201 31.809 31.809 32.506 -0.697 17614 11380 1 10 . 1 1 189 189 LYS H H 201 8.291 8.291 7.565 0.726 17614 11381 1 10 . 1 1 190 190 ASP N N 202 117.936 117.936 116.253 1.683 17614 11382 1 10 . 1 1 190 190 ASP C C 202 178.395 178.395 177.042 1.353 17614 11383 1 10 . 1 1 190 190 ASP CA C 202 57.672 57.672 56.111 1.561 17614 11384 1 10 . 1 1 190 190 ASP CB C 202 41.355 41.355 41.203 0.152 17614 11385 1 10 . 1 1 190 190 ASP H H 202 8.182 8.182 7.846 0.336 17614 11386 1 10 . 1 1 191 191 THR N N 203 115.914 115.914 115.024 0.890 17614 11387 1 10 . 1 1 191 191 THR CA C 203 61.190 61.190 62.036 -0.847 17614 11388 1 10 . 1 1 191 191 THR CB C 203 68.738 68.738 69.504 -0.766 17614 11389 1 10 . 1 1 191 191 THR H H 203 7.690 7.690 7.771 -0.081 17614 11390 1 10 . 1 1 192 192 LEU C C 204 176.047 176.047 175.267 0.780 17614 11391 1 10 . 1 1 192 192 LEU H H 204 8.051 8.051 8.926 -0.875 17614 11392 1 10 . 1 1 193 193 LEU N N 205 118.768 118.768 118.746 0.022 17614 11393 1 10 . 1 1 193 193 LEU C C 205 179.871 179.871 176.529 3.342 17614 11394 1 10 . 1 1 193 193 LEU CA C 205 55.867 55.867 54.799 1.068 17614 11395 1 10 . 1 1 193 193 LEU CB C 205 41.887 41.887 41.578 0.309 17614 11396 1 10 . 1 1 193 193 LEU H H 205 7.977 7.977 7.859 0.118 17614 11397 1 10 . 1 1 194 194 LYS N N 206 119.775 119.775 119.871 -0.096 17614 11398 1 10 . 1 1 194 194 LYS C C 206 177.318 177.318 175.880 1.438 17614 11399 1 10 . 1 1 194 194 LYS CA C 206 58.461 58.461 56.074 2.387 17614 11400 1 10 . 1 1 194 194 LYS CB C 206 32.734 32.734 30.182 2.552 17614 11401 1 10 . 1 1 194 194 LYS H H 206 7.677 7.677 8.318 -0.641 17614 11402 1 10 . 1 1 195 195 ALA N N 207 120.757 120.757 122.125 -1.368 17614 11403 1 10 . 1 1 195 195 ALA C C 207 176.531 176.531 175.935 0.596 17614 11404 1 10 . 1 1 195 195 ALA CA C 207 53.083 53.083 52.281 0.802 17614 11405 1 10 . 1 1 195 195 ALA CB C 207 18.960 18.960 17.903 1.057 17614 11406 1 10 . 1 1 195 195 ALA H H 207 7.565 7.565 7.902 -0.337 17614 11407 1 10 . 1 1 196 196 ASN N N 208 115.463 115.463 114.966 0.497 17614 11408 1 10 . 1 1 196 196 ASN C C 208 174.822 174.822 173.367 1.455 17614 11409 1 10 . 1 1 196 196 ASN CA C 208 54.351 54.351 53.504 0.848 17614 11410 1 10 . 1 1 196 196 ASN CB C 208 38.160 38.160 37.563 0.597 17614 11411 1 10 . 1 1 196 196 ASN H H 208 7.936 7.936 8.217 -0.281 17614 11412 1 10 . 1 1 200 200 ASP C C 212 174.735 174.735 174.333 0.402 17614 11413 1 10 . 1 1 201 201 ASP N N 213 116.363 116.363 120.259 -3.896 17614 11414 1 10 . 1 1 201 201 ASP C C 213 175.553 175.553 176.667 -1.114 17614 11415 1 10 . 1 1 201 201 ASP CA C 213 54.890 54.890 54.920 -0.030 17614 11416 1 10 . 1 1 201 201 ASP CB C 213 38.846 38.846 39.347 -0.501 17614 11417 1 10 . 1 1 201 201 ASP H H 213 8.129 8.129 8.580 -0.451 17614 11418 1 10 . 1 1 202 202 LEU N N 214 119.486 119.486 120.649 -1.163 17614 11419 1 10 . 1 1 202 202 LEU CA C 214 59.766 59.766 59.031 0.735 17614 11420 1 10 . 1 1 202 202 LEU CB C 214 39.579 39.579 41.264 -1.685 17614 11421 1 10 . 1 1 202 202 LEU H H 214 7.821 7.821 8.525 -0.704 17614 11422 1 10 . 1 1 203 203 PRO C C 215 177.971 177.971 179.006 -1.035 17614 11423 1 10 . 1 1 203 203 PRO CA C 215 65.938 65.938 65.895 0.043 17614 11424 1 10 . 1 1 203 203 PRO CB C 215 30.006 30.006 31.030 -1.024 17614 11425 1 10 . 1 1 204 204 CYS N N 216 114.211 114.211 114.047 0.164 17614 11426 1 10 . 1 1 204 204 CYS C C 216 176.142 176.142 177.242 -1.100 17614 11427 1 10 . 1 1 204 204 CYS CA C 216 58.773 58.773 64.023 -5.250 17614 11428 1 10 . 1 1 204 204 CYS CB C 216 40.906 40.906 27.517 13.389 17614 11429 1 10 . 1 1 204 204 CYS H H 216 8.269 8.269 7.807 0.462 17614 11430 1 10 . 1 1 205 205 HIS N N 217 120.491 120.491 120.665 -0.174 17614 11431 1 10 . 1 1 205 205 HIS C C 217 176.747 176.747 177.099 -0.352 17614 11432 1 10 . 1 1 205 205 HIS CA C 217 57.198 57.198 59.825 -2.627 17614 11433 1 10 . 1 1 205 205 HIS CB C 217 29.886 29.886 29.502 0.384 17614 11434 1 10 . 1 1 205 205 HIS H H 217 7.301 7.301 7.660 -0.359 17614 11435 1 10 . 1 1 206 206 PHE N N 218 120.501 120.501 118.144 2.357 17614 11436 1 10 . 1 1 206 206 PHE C C 218 176.187 176.187 177.611 -1.424 17614 11437 1 10 . 1 1 206 206 PHE CA C 218 59.045 59.045 61.868 -2.823 17614 11438 1 10 . 1 1 206 206 PHE CB C 218 38.901 38.901 38.712 0.189 17614 11439 1 10 . 1 1 206 206 PHE H H 218 8.127 8.127 7.941 0.186 17614 11440 1 10 . 1 1 207 207 THR N N 219 112.682 112.682 112.533 0.149 17614 11441 1 10 . 1 1 207 207 THR C C 219 175.997 175.997 176.785 -0.788 17614 11442 1 10 . 1 1 207 207 THR CA C 219 64.319 64.319 66.369 -2.050 17614 11443 1 10 . 1 1 207 207 THR CB C 219 63.282 63.282 68.284 -5.002 17614 11444 1 10 . 1 1 207 207 THR H H 219 7.977 7.977 8.198 -0.221 17614 11445 1 10 . 1 1 208 208 SER N N 220 117.589 117.589 116.749 0.840 17614 11446 1 10 . 1 1 208 208 SER C C 220 175.055 175.055 176.319 -1.264 17614 11447 1 10 . 1 1 208 208 SER CA C 220 61.344 61.344 61.552 -0.208 17614 11448 1 10 . 1 1 208 208 SER CB C 220 63.440 63.440 62.706 0.734 17614 11449 1 10 . 1 1 208 208 SER H H 220 8.004 8.004 7.774 0.230 17614 11450 1 10 . 1 1 209 209 ALA N N 221 123.860 123.860 123.923 -0.063 17614 11451 1 10 . 1 1 209 209 ALA C C 221 177.618 177.618 179.657 -2.039 17614 11452 1 10 . 1 1 209 209 ALA CA C 221 53.932 53.932 54.666 -0.734 17614 11453 1 10 . 1 1 209 209 ALA CB C 221 18.891 18.891 18.026 0.865 17614 11454 1 10 . 1 1 209 209 ALA H H 221 7.704 7.704 7.273 0.431 17614 11455 1 10 . 1 1 210 210 PHE N N 222 116.073 116.073 120.030 -3.957 17614 11456 1 10 . 1 1 210 210 PHE C C 222 176.142 176.142 177.633 -1.491 17614 11457 1 10 . 1 1 210 210 PHE CA C 222 58.271 58.271 61.745 -3.474 17614 11458 1 10 . 1 1 210 210 PHE CB C 222 39.554 39.554 39.059 0.495 17614 11459 1 10 . 1 1 210 210 PHE H H 222 7.718 7.718 8.045 -0.327 17614 11460 1 10 . 1 1 211 211 GLY N N 223 108.578 108.578 106.289 2.289 17614 11461 1 10 . 1 1 211 211 GLY C C 223 173.889 173.889 175.565 -1.676 17614 11462 1 10 . 1 1 211 211 GLY CA C 223 45.993 45.993 47.074 -1.081 17614 11463 1 10 . 1 1 211 211 GLY H H 223 7.909 7.909 8.057 -0.148 17614 11464 1 10 . 1 1 212 212 ALA N N 224 123.322 123.322 124.534 -1.212 17614 11465 1 10 . 1 1 212 212 ALA C C 224 178.550 178.550 179.772 -1.222 17614 11466 1 10 . 1 1 212 212 ALA CA C 224 53.608 53.608 54.736 -1.128 17614 11467 1 10 . 1 1 212 212 ALA CB C 224 19.069 19.069 18.268 0.801 17614 11468 1 10 . 1 1 212 212 ALA H H 224 8.018 8.018 7.908 0.110 17614 11469 1 10 . 1 1 213 213 GLY N N 225 107.935 107.935 107.447 0.488 17614 11470 1 10 . 1 1 213 213 GLY C C 225 175.389 175.389 175.839 -0.450 17614 11471 1 10 . 1 1 213 213 GLY CA C 225 46.967 46.967 46.813 0.154 17614 11472 1 10 . 1 1 213 213 GLY H H 225 8.304 8.304 8.612 -0.308 17614 11473 1 10 . 1 1 214 214 PHE N N 226 122.440 122.440 122.748 -0.308 17614 11474 1 10 . 1 1 214 214 PHE C C 226 176.998 176.998 177.137 -0.139 17614 11475 1 10 . 1 1 214 214 PHE CA C 226 60.673 60.673 60.883 -0.210 17614 11476 1 10 . 1 1 214 214 PHE CB C 226 38.319 38.319 39.274 -0.955 17614 11477 1 10 . 1 1 214 214 PHE H H 226 8.045 8.045 7.857 0.188 17614 11478 1 10 . 1 1 215 215 CYS N N 227 116.562 116.562 117.122 -0.560 17614 11479 1 10 . 1 1 215 215 CYS CA C 227 61.301 61.301 63.565 -2.264 17614 11480 1 10 . 1 1 215 215 CYS CB C 227 41.286 41.286 27.570 13.716 17614 11481 1 10 . 1 1 215 215 CYS H H 227 8.016 8.016 7.790 0.226 17614 11482 1 10 . 1 1 216 216 THR C C 228 176.437 176.437 176.605 -0.168 17614 11483 1 10 . 1 1 216 216 THR H H 228 8.410 8.410 8.298 0.112 17614 11484 1 10 . 1 1 217 217 THR N N 229 115.234 115.234 119.203 -3.969 17614 11485 1 10 . 1 1 217 217 THR C C 229 176.749 176.749 176.034 0.715 17614 11486 1 10 . 1 1 217 217 THR CA C 229 65.980 65.980 66.437 -0.457 17614 11487 1 10 . 1 1 217 217 THR CB C 229 67.443 67.443 68.357 -0.914 17614 11488 1 10 . 1 1 217 217 THR H H 229 8.188 8.188 7.782 0.406 17614 11489 1 10 . 1 1 218 218 VAL N N 230 120.723 120.723 120.848 -0.125 17614 11490 1 10 . 1 1 218 218 VAL C C 230 177.983 177.983 176.933 1.050 17614 11491 1 10 . 1 1 218 218 VAL CA C 230 66.832 66.832 65.666 1.166 17614 11492 1 10 . 1 1 218 218 VAL CB C 230 31.168 31.168 31.735 -0.567 17614 11493 1 10 . 1 1 218 218 VAL H H 230 8.027 8.027 7.368 0.659 17614 11494 1 10 . 1 1 219 219 ILE N N 231 120.541 120.541 117.771 2.770 17614 11495 1 10 . 1 1 219 219 ILE C C 231 177.368 177.368 177.099 0.269 17614 11496 1 10 . 1 1 219 219 ILE CA C 231 65.575 65.575 63.970 1.605 17614 11497 1 10 . 1 1 219 219 ILE CB C 231 37.722 37.722 37.762 -0.040 17614 11498 1 10 . 1 1 219 219 ILE H H 231 8.458 8.458 7.108 1.350 17614 11499 1 10 . 1 1 220 220 ALA N N 232 122.766 122.766 121.219 1.547 17614 11500 1 10 . 1 1 220 220 ALA C C 232 178.847 178.847 179.700 -0.853 17614 11501 1 10 . 1 1 220 220 ALA CA C 232 55.252 55.252 54.882 0.370 17614 11502 1 10 . 1 1 220 220 ALA CB C 232 17.874 17.874 18.499 -0.625 17614 11503 1 10 . 1 1 220 220 ALA H H 232 8.589 8.589 7.874 0.715 17614 11504 1 10 . 1 1 221 221 SER N N 233 113.387 113.387 114.446 -1.059 17614 11505 1 10 . 1 1 221 221 SER CA C 233 62.348 62.348 61.940 0.409 17614 11506 1 10 . 1 1 221 221 SER CB C 233 61.630 61.630 61.067 0.563 17614 11507 1 10 . 1 1 221 221 SER H H 233 8.218 8.218 8.038 0.180 17614 11508 1 10 . 1 1 222 222 PRO C C 234 178.221 178.221 178.518 -0.297 17614 11509 1 10 . 1 1 223 223 VAL N N 235 116.087 116.087 113.714 2.373 17614 11510 1 10 . 1 1 223 223 VAL C C 235 177.089 177.089 177.054 0.035 17614 11511 1 10 . 1 1 223 223 VAL CA C 235 65.072 65.072 65.932 -0.860 17614 11512 1 10 . 1 1 223 223 VAL CB C 235 31.084 31.084 30.980 0.104 17614 11513 1 10 . 1 1 223 223 VAL H H 235 8.142 8.142 7.460 0.682 17614 11514 1 10 . 1 1 224 224 ASP N N 236 121.556 121.556 120.325 1.231 17614 11515 1 10 . 1 1 224 224 ASP C C 236 177.422 177.422 178.440 -1.018 17614 11516 1 10 . 1 1 224 224 ASP CA C 236 57.135 57.135 56.468 0.667 17614 11517 1 10 . 1 1 224 224 ASP CB C 236 40.065 40.065 39.383 0.682 17614 11518 1 10 . 1 1 224 224 ASP H H 236 7.932 7.932 7.586 0.346 17614 11519 1 10 . 1 1 225 225 VAL N N 237 117.233 117.233 121.326 -4.093 17614 11520 1 10 . 1 1 225 225 VAL CA C 237 64.977 64.977 65.706 -0.729 17614 11521 1 10 . 1 1 225 225 VAL CB C 237 31.013 31.013 31.400 -0.387 17614 11522 1 10 . 1 1 225 225 VAL H H 237 7.710 7.710 7.600 0.110 17614 11523 1 10 . 1 1 226 226 VAL C C 238 177.584 177.584 178.085 -0.501 17614 11524 1 10 . 1 1 226 226 VAL H H 238 7.607 7.607 7.426 0.181 17614 11525 1 10 . 1 1 227 227 LYS N N 239 120.095 120.095 117.928 2.167 17614 11526 1 10 . 1 1 227 227 LYS C C 239 178.678 178.678 178.215 0.463 17614 11527 1 10 . 1 1 227 227 LYS CA C 239 58.483 58.483 58.972 -0.489 17614 11528 1 10 . 1 1 227 227 LYS CB C 239 31.863 31.863 31.605 0.258 17614 11529 1 10 . 1 1 227 227 LYS H H 239 7.761 7.761 7.421 0.340 17614 11530 1 10 . 1 1 228 228 THR N N 240 115.247 115.247 113.240 2.007 17614 11531 1 10 . 1 1 228 228 THR C C 240 175.093 175.093 174.810 0.283 17614 11532 1 10 . 1 1 228 228 THR CA C 240 66.458 66.458 64.285 2.173 17614 11533 1 10 . 1 1 228 228 THR CB C 240 68.011 68.011 69.460 -1.449 17614 11534 1 10 . 1 1 228 228 THR H H 240 7.761 7.761 7.511 0.250 17614 11535 1 10 . 1 1 229 229 ARG N N 241 119.633 119.633 119.104 0.529 17614 11536 1 10 . 1 1 229 229 ARG CA C 241 57.133 57.133 57.627 -0.494 17614 11537 1 10 . 1 1 229 229 ARG CB C 241 31.218 31.218 29.980 1.238 17614 11538 1 10 . 1 1 229 229 ARG H H 241 7.383 7.383 7.509 -0.126 17614 11539 1 10 . 1 1 230 230 TYR C C 242 174.956 174.956 173.908 1.048 17614 11540 1 10 . 1 1 230 230 TYR H H 242 8.699 8.699 8.060 0.639 17614 11541 1 10 . 1 1 231 231 MET N N 243 118.458 118.458 123.872 -5.414 17614 11542 1 10 . 1 1 231 231 MET C C 243 175.676 175.676 174.568 1.108 17614 11543 1 10 . 1 1 231 231 MET CA C 243 54.417 54.417 57.294 -2.877 17614 11544 1 10 . 1 1 231 231 MET H H 243 7.442 7.442 8.640 -1.198 17614 11545 1 10 . 1 1 232 232 ASN N N 244 116.369 116.369 117.997 -1.628 17614 11546 1 10 . 1 1 232 232 ASN C C 244 174.919 174.919 173.912 1.007 17614 11547 1 10 . 1 1 232 232 ASN CA C 244 59.470 59.470 52.566 6.904 17614 11548 1 10 . 1 1 232 232 ASN CB C 244 39.079 39.079 39.234 -0.155 17614 11549 1 10 . 1 1 232 232 ASN H H 244 7.772 7.772 8.048 -0.276 17614 11550 1 10 . 1 1 233 233 SER N N 245 114.568 114.568 116.324 -1.756 17614 11551 1 10 . 1 1 233 233 SER C C 245 175.695 175.695 173.651 2.044 17614 11552 1 10 . 1 1 233 233 SER CA C 245 53.852 53.852 57.406 -3.554 17614 11553 1 10 . 1 1 233 233 SER CB C 245 61.232 61.232 64.527 -3.295 17614 11554 1 10 . 1 1 233 233 SER H H 245 8.475 8.475 7.699 0.776 17614 11555 1 10 . 1 1 234 234 ALA N N 246 127.283 127.283 124.658 2.625 17614 11556 1 10 . 1 1 234 234 ALA C C 246 177.128 177.128 175.769 1.359 17614 11557 1 10 . 1 1 234 234 ALA CA C 246 56.803 56.803 52.257 4.546 17614 11558 1 10 . 1 1 234 234 ALA CB C 246 18.901 18.901 18.892 0.009 17614 11559 1 10 . 1 1 234 234 ALA H H 246 7.929 7.929 8.357 -0.428 17614 11560 1 10 . 1 1 235 235 LEU N N 247 118.112 118.112 120.889 -2.777 17614 11561 1 10 . 1 1 235 235 LEU C C 247 176.723 176.723 176.859 -0.136 17614 11562 1 10 . 1 1 235 235 LEU CA C 247 54.156 54.156 54.632 -0.476 17614 11563 1 10 . 1 1 235 235 LEU CB C 247 41.215 41.215 42.230 -1.015 17614 11564 1 10 . 1 1 235 235 LEU H H 247 7.922 7.922 7.918 0.004 17614 11565 1 10 . 1 1 236 236 GLY N N 248 107.203 107.203 112.122 -4.919 17614 11566 1 10 . 1 1 236 236 GLY CA C 248 44.558 44.558 44.558 0.000 17614 11567 1 10 . 1 1 236 236 GLY H H 248 8.318 8.318 7.963 0.355 17614 11568 1 10 . 1 1 238 238 TYR C C 250 175.942 175.942 175.930 0.012 17614 11569 1 10 . 1 1 238 238 TYR H H 250 8.134 8.134 8.285 -0.151 17614 11570 1 10 . 1 1 239 239 HIS N N 251 123.281 123.281 124.096 -0.815 17614 11571 1 10 . 1 1 239 239 HIS C C 251 174.531 174.531 174.126 0.405 17614 11572 1 10 . 1 1 239 239 HIS CA C 251 58.931 58.931 58.132 0.799 17614 11573 1 10 . 1 1 239 239 HIS CB C 251 29.525 29.525 30.557 -1.032 17614 11574 1 10 . 1 1 239 239 HIS H H 251 8.184 8.184 8.894 -0.710 17614 11575 1 10 . 1 1 240 240 SER N N 252 110.038 110.038 110.577 -0.539 17614 11576 1 10 . 1 1 240 240 SER C C 252 174.429 174.429 173.626 0.803 17614 11577 1 10 . 1 1 240 240 SER CA C 252 57.452 57.452 57.441 0.011 17614 11578 1 10 . 1 1 240 240 SER CB C 252 65.022 65.022 66.208 -1.186 17614 11579 1 10 . 1 1 240 240 SER H H 252 8.010 8.010 7.741 0.269 17614 11580 1 10 . 1 1 241 241 ALA N N 253 123.034 123.034 124.804 -1.770 17614 11581 1 10 . 1 1 241 241 ALA C C 253 179.249 179.249 179.832 -0.583 17614 11582 1 10 . 1 1 241 241 ALA CA C 253 54.981 54.981 54.901 0.080 17614 11583 1 10 . 1 1 241 241 ALA CB C 253 19.069 19.069 18.747 0.322 17614 11584 1 10 . 1 1 241 241 ALA H H 253 8.034 8.034 8.752 -0.718 17614 11585 1 10 . 1 1 242 242 GLY N N 254 106.379 106.379 106.124 0.255 17614 11586 1 10 . 1 1 242 242 GLY C C 254 174.433 174.433 175.494 -1.061 17614 11587 1 10 . 1 1 242 242 GLY CA C 254 47.615 47.615 46.892 0.723 17614 11588 1 10 . 1 1 242 242 GLY H H 254 8.427 8.427 8.767 -0.340 17614 11589 1 10 . 1 1 243 243 HIS N N 255 121.119 121.119 122.747 -1.628 17614 11590 1 10 . 1 1 243 243 HIS C C 255 178.084 178.084 177.128 0.956 17614 11591 1 10 . 1 1 243 243 HIS CA C 255 60.144 60.144 58.987 1.157 17614 11592 1 10 . 1 1 243 243 HIS CB C 255 33.073 33.073 29.771 3.301 17614 11593 1 10 . 1 1 243 243 HIS H H 255 8.304 8.304 8.507 -0.203 17614 11594 1 10 . 1 1 244 244 CYS N N 256 117.946 117.946 118.060 -0.114 17614 11595 1 10 . 1 1 244 244 CYS C C 256 175.453 175.453 176.469 -1.016 17614 11596 1 10 . 1 1 244 244 CYS CA C 256 58.668 58.668 61.631 -2.963 17614 11597 1 10 . 1 1 244 244 CYS CB C 256 41.434 41.434 26.692 14.742 17614 11598 1 10 . 1 1 244 244 CYS H H 256 8.168 8.168 7.716 0.452 17614 11599 1 10 . 1 1 245 245 ALA N N 257 123.138 123.138 124.169 -1.031 17614 11600 1 10 . 1 1 245 245 ALA C C 257 179.489 179.489 179.133 0.356 17614 11601 1 10 . 1 1 245 245 ALA CA C 257 54.589 54.589 54.919 -0.330 17614 11602 1 10 . 1 1 245 245 ALA CB C 257 17.675 17.675 18.050 -0.375 17614 11603 1 10 . 1 1 245 245 ALA H H 257 7.932 7.932 7.559 0.373 17614 11604 1 10 . 1 1 246 246 LEU N N 258 119.779 119.779 118.657 1.122 17614 11605 1 10 . 1 1 246 246 LEU C C 258 178.234 178.234 178.760 -0.526 17614 11606 1 10 . 1 1 246 246 LEU CA C 258 56.967 56.967 58.010 -1.042 17614 11607 1 10 . 1 1 246 246 LEU CB C 258 41.067 41.067 41.858 -0.791 17614 11608 1 10 . 1 1 246 246 LEU H H 258 7.681 7.681 8.217 -0.536 17614 11609 1 10 . 1 1 247 247 THR N N 259 114.552 114.552 116.005 -1.453 17614 11610 1 10 . 1 1 247 247 THR C C 259 176.244 176.244 176.575 -0.331 17614 11611 1 10 . 1 1 247 247 THR CA C 259 66.511 66.511 67.260 -0.749 17614 11612 1 10 . 1 1 247 247 THR CB C 259 67.274 67.274 68.692 -1.418 17614 11613 1 10 . 1 1 247 247 THR H H 259 7.855 7.855 7.805 0.050 17614 11614 1 10 . 1 1 248 248 MET N N 260 118.862 118.862 121.977 -3.115 17614 11615 1 10 . 1 1 248 248 MET C C 260 177.094 177.094 177.746 -0.652 17614 11616 1 10 . 1 1 248 248 MET CA C 260 58.532 58.532 59.039 -0.507 17614 11617 1 10 . 1 1 248 248 MET CB C 260 32.288 32.288 32.580 -0.292 17614 11618 1 10 . 1 1 248 248 MET H H 260 8.296 8.296 8.557 -0.261 17614 11619 1 10 . 1 1 249 249 LEU N N 261 116.839 116.839 120.132 -3.293 17614 11620 1 10 . 1 1 249 249 LEU C C 261 178.162 178.162 178.861 -0.699 17614 11621 1 10 . 1 1 249 249 LEU CA C 261 58.167 58.167 58.191 -0.025 17614 11622 1 10 . 1 1 249 249 LEU CB C 261 42.202 42.202 42.052 0.150 17614 11623 1 10 . 1 1 249 249 LEU H H 261 8.053 8.053 8.026 0.027 17614 11624 1 10 . 1 1 250 250 ARG N N 262 116.821 116.821 117.464 -0.643 17614 11625 1 10 . 1 1 250 250 ARG CA C 262 58.761 58.761 58.489 0.273 17614 11626 1 10 . 1 1 250 250 ARG CB C 262 30.825 30.825 30.042 0.783 17614 11627 1 10 . 1 1 250 250 ARG H H 262 7.827 7.827 7.552 0.275 17614 11628 1 10 . 1 1 254 254 PRO C C 266 177.152 177.152 178.111 -0.959 17614 11629 1 10 . 1 1 254 254 PRO CA C 266 65.152 65.152 64.225 0.927 17614 11630 1 10 . 1 1 255 255 ARG N N 267 117.739 117.739 117.802 -0.063 17614 11631 1 10 . 1 1 255 255 ARG C C 267 177.463 177.463 177.955 -0.492 17614 11632 1 10 . 1 1 255 255 ARG CA C 267 59.335 59.335 58.630 0.705 17614 11633 1 10 . 1 1 255 255 ARG CB C 267 30.185 30.185 29.305 0.880 17614 11634 1 10 . 1 1 255 255 ARG H H 267 8.072 8.072 8.093 -0.021 17614 11635 1 10 . 1 1 256 256 ALA N N 268 121.709 121.709 121.235 0.474 17614 11636 1 10 . 1 1 256 256 ALA C C 268 179.251 179.251 177.992 1.259 17614 11637 1 10 . 1 1 256 256 ALA CA C 268 54.631 54.631 54.605 0.026 17614 11638 1 10 . 1 1 256 256 ALA CB C 268 18.683 18.683 18.348 0.335 17614 11639 1 10 . 1 1 256 256 ALA H H 268 7.963 7.963 7.859 0.104 17614 11640 1 10 . 1 1 257 257 PHE N N 269 117.096 117.096 118.026 -0.930 17614 11641 1 10 . 1 1 257 257 PHE C C 269 175.987 175.987 177.267 -1.280 17614 11642 1 10 . 1 1 257 257 PHE CA C 269 61.037 61.037 60.935 0.102 17614 11643 1 10 . 1 1 257 257 PHE CB C 269 38.637 38.637 39.281 -0.644 17614 11644 1 10 . 1 1 257 257 PHE H H 269 7.832 7.832 7.683 0.149 17614 11645 1 10 . 1 1 258 258 TYR N N 270 118.496 118.496 117.834 0.662 17614 11646 1 10 . 1 1 258 258 TYR C C 270 176.250 176.250 176.422 -0.172 17614 11647 1 10 . 1 1 258 258 TYR CA C 270 60.116 60.116 60.141 -0.025 17614 11648 1 10 . 1 1 258 258 TYR CB C 270 38.882 38.882 38.605 0.278 17614 11649 1 10 . 1 1 258 258 TYR H H 270 7.813 7.813 7.688 0.125 17614 11650 1 10 . 1 1 259 259 LYS N N 271 119.458 119.458 119.181 0.277 17614 11651 1 10 . 1 1 259 259 LYS C C 271 177.696 177.696 176.511 1.185 17614 11652 1 10 . 1 1 259 259 LYS CA C 271 57.192 57.192 56.245 0.947 17614 11653 1 10 . 1 1 259 259 LYS CB C 271 32.734 32.734 33.137 -0.403 17614 11654 1 10 . 1 1 259 259 LYS H H 271 7.864 7.864 8.000 -0.136 17614 11655 1 10 . 1 1 260 260 GLY N N 272 106.217 106.217 107.394 -1.177 17614 11656 1 10 . 1 1 260 260 GLY C C 272 173.967 173.967 173.208 0.759 17614 11657 1 10 . 1 1 260 260 GLY CA C 272 46.117 46.117 45.672 0.445 17614 11658 1 10 . 1 1 260 260 GLY H H 272 7.622 7.622 8.285 -0.663 17614 11659 1 10 . 1 1 261 261 PHE N N 273 118.847 118.847 117.188 1.659 17614 11660 1 10 . 1 1 261 261 PHE C C 273 175.055 175.055 175.108 -0.053 17614 11661 1 10 . 1 1 261 261 PHE CA C 273 57.721 57.721 57.202 0.519 17614 11662 1 10 . 1 1 261 261 PHE CB C 273 40.183 40.183 38.997 1.186 17614 11663 1 10 . 1 1 261 261 PHE H H 273 7.677 7.677 7.298 0.379 17614 11664 1 10 . 1 1 265 265 PHE C C 277 176.602 176.602 177.292 -0.690 17614 11665 1 10 . 1 1 265 265 PHE CA C 277 61.838 61.838 61.967 -0.129 17614 11666 1 10 . 1 1 265 265 PHE CB C 277 39.537 39.537 39.266 0.271 17614 11667 1 10 . 1 1 265 265 PHE H H 277 7.695 7.695 8.004 -0.309 17614 11668 1 10 . 1 1 266 266 LEU N N 278 118.465 118.465 119.671 -1.206 17614 11669 1 10 . 1 1 266 266 LEU C C 278 177.152 177.152 178.800 -1.648 17614 11670 1 10 . 1 1 266 266 LEU CA C 278 56.115 56.115 58.408 -2.293 17614 11671 1 10 . 1 1 266 266 LEU CB C 278 42.398 42.398 41.544 0.854 17614 11672 1 10 . 1 1 266 266 LEU H H 278 8.104 8.104 8.022 0.082 17614 11673 1 10 . 1 1 267 267 ARG N N 279 118.749 118.749 119.844 -1.095 17614 11674 1 10 . 1 1 267 267 ARG C C 279 176.608 176.608 178.986 -2.378 17614 11675 1 10 . 1 1 267 267 ARG CA C 279 56.938 56.938 58.682 -1.744 17614 11676 1 10 . 1 1 267 267 ARG CB C 279 30.659 30.659 29.718 0.941 17614 11677 1 10 . 1 1 267 267 ARG H H 279 7.472 7.472 8.217 -0.745 17614 11678 1 10 . 1 1 268 268 LEU N N 280 120.305 120.305 119.226 1.079 17614 11679 1 10 . 1 1 268 268 LEU C C 280 177.540 177.540 179.077 -1.537 17614 11680 1 10 . 1 1 268 268 LEU CA C 280 57.094 57.094 57.870 -0.776 17614 11681 1 10 . 1 1 268 268 LEU CB C 280 42.027 42.027 41.532 0.495 17614 11682 1 10 . 1 1 268 268 LEU H H 280 7.690 7.690 8.467 -0.777 17614 11683 1 10 . 1 1 269 269 GLY N N 281 106.837 106.837 106.615 0.222 17614 11684 1 10 . 1 1 269 269 GLY C C 281 174.045 174.045 175.790 -1.745 17614 11685 1 10 . 1 1 269 269 GLY CA C 281 46.967 46.967 47.382 -0.415 17614 11686 1 10 . 1 1 269 269 GLY H H 281 7.881 7.881 7.907 -0.026 17614 11687 1 10 . 1 1 270 270 SER N N 282 115.531 115.531 117.936 -2.405 17614 11688 1 10 . 1 1 270 270 SER C C 282 174.123 174.123 176.416 -2.293 17614 11689 1 10 . 1 1 270 270 SER CA C 282 58.796 58.796 61.505 -2.709 17614 11690 1 10 . 1 1 270 270 SER CB C 282 58.975 58.975 63.199 -4.224 17614 11691 1 10 . 1 1 270 270 SER H H 282 7.813 7.813 7.610 0.203 17614 11692 1 10 . 1 1 271 271 TRP N N 283 122.851 122.851 123.537 -0.686 17614 11693 1 10 . 1 1 271 271 TRP C C 283 176.142 176.142 177.714 -1.572 17614 11694 1 10 . 1 1 271 271 TRP CA C 283 59.221 59.221 60.739 -1.518 17614 11695 1 10 . 1 1 271 271 TRP CB C 283 30.446 30.446 29.573 0.873 17614 11696 1 10 . 1 1 271 271 TRP H H 283 8.186 8.186 8.509 -0.323 17614 11697 1 10 . 1 1 272 272 ASN N N 284 118.459 118.459 117.432 1.027 17614 11698 1 10 . 1 1 272 272 ASN CA C 284 55.325 55.325 56.377 -1.052 17614 11699 1 10 . 1 1 272 272 ASN CB C 284 39.504 39.504 38.493 1.011 17614 11700 1 10 . 1 1 272 272 ASN H H 284 8.127 8.127 7.948 0.179 17614 11701 1 10 . 1 1 273 273 VAL C C 285 177.263 177.263 177.660 -0.397 17614 11702 1 10 . 1 1 273 273 VAL H H 285 7.854 7.854 7.609 0.245 17614 11703 1 10 . 1 1 274 274 VAL N N 286 119.883 119.883 118.930 0.953 17614 11704 1 10 . 1 1 274 274 VAL C C 286 177.072 177.072 177.876 -0.804 17614 11705 1 10 . 1 1 274 274 VAL CA C 286 64.717 64.717 66.409 -1.692 17614 11706 1 10 . 1 1 274 274 VAL CB C 286 29.553 29.553 31.048 -1.495 17614 11707 1 10 . 1 1 274 274 VAL H H 286 7.483 7.483 7.172 0.311 17614 11708 1 10 . 1 1 275 275 MET N N 287 120.401 120.401 119.193 1.208 17614 11709 1 10 . 1 1 275 275 MET C C 287 177.594 177.594 178.376 -0.782 17614 11710 1 10 . 1 1 275 275 MET CA C 287 57.654 57.654 58.849 -1.195 17614 11711 1 10 . 1 1 275 275 MET CB C 287 31.592 31.592 32.221 -0.629 17614 11712 1 10 . 1 1 275 275 MET H H 287 8.118 8.118 7.077 1.041 17614 11713 1 10 . 1 1 276 276 PHE N N 288 122.234 122.234 119.723 2.511 17614 11714 1 10 . 1 1 276 276 PHE C C 288 176.498 176.498 177.382 -0.884 17614 11715 1 10 . 1 1 276 276 PHE CA C 288 61.766 61.766 61.806 -0.040 17614 11716 1 10 . 1 1 276 276 PHE CB C 288 39.031 39.031 39.093 -0.062 17614 11717 1 10 . 1 1 276 276 PHE H H 288 7.878 7.878 7.822 0.056 17614 11718 1 10 . 1 1 277 277 VAL N N 289 118.907 118.907 118.291 0.616 17614 11719 1 10 . 1 1 277 277 VAL CA C 289 64.566 64.566 66.441 -1.875 17614 11720 1 10 . 1 1 277 277 VAL CB C 289 30.544 30.544 31.516 -0.972 17614 11721 1 10 . 1 1 277 277 VAL H H 289 7.913 7.913 7.837 0.076 17614 11722 1 10 . 1 1 278 278 THR C C 290 175.376 175.376 176.031 -0.655 17614 11723 1 10 . 1 1 278 278 THR H H 290 8.095 8.095 7.537 0.558 17614 11724 1 10 . 1 1 279 279 TYR N N 291 118.029 118.029 120.010 -1.981 17614 11725 1 10 . 1 1 279 279 TYR C C 291 176.919 176.919 177.792 -0.873 17614 11726 1 10 . 1 1 279 279 TYR CA C 291 61.717 61.717 61.739 -0.021 17614 11727 1 10 . 1 1 279 279 TYR CB C 291 38.020 38.020 37.817 0.203 17614 11728 1 10 . 1 1 279 279 TYR H H 291 7.986 7.986 7.414 0.572 17614 11729 1 10 . 1 1 280 280 GLU N N 292 118.005 118.005 118.920 -0.915 17614 11730 1 10 . 1 1 280 280 GLU C C 292 176.686 176.686 179.218 -2.532 17614 11731 1 10 . 1 1 280 280 GLU CA C 292 60.084 60.084 59.724 0.360 17614 11732 1 10 . 1 1 280 280 GLU CB C 292 29.443 29.443 29.114 0.329 17614 11733 1 10 . 1 1 280 280 GLU H H 292 8.359 8.359 7.988 0.371 17614 11734 1 10 . 1 1 281 281 GLN N N 293 118.746 118.746 118.021 0.725 17614 11735 1 10 . 1 1 281 281 GLN C C 293 176.210 176.210 178.379 -2.169 17614 11736 1 10 . 1 1 281 281 GLN CA C 293 58.986 58.986 58.297 0.688 17614 11737 1 10 . 1 1 281 281 GLN CB C 293 28.784 28.784 28.530 0.254 17614 11738 1 10 . 1 1 281 281 GLN H H 293 7.704 7.704 7.517 0.187 17614 11739 1 10 . 1 1 282 282 LEU N N 294 120.970 120.970 118.628 2.342 17614 11740 1 10 . 1 1 282 282 LEU C C 294 178.084 178.084 178.390 -0.306 17614 11741 1 10 . 1 1 282 282 LEU CA C 294 58.741 58.741 57.036 1.705 17614 11742 1 10 . 1 1 282 282 LEU CB C 294 41.451 41.451 41.922 -0.471 17614 11743 1 10 . 1 1 282 282 LEU H H 294 7.995 7.995 7.480 0.515 17614 11744 1 10 . 1 1 283 283 LYS N N 295 117.756 117.756 116.791 0.965 17614 11745 1 10 . 1 1 283 283 LYS CA C 295 59.048 59.048 58.513 0.535 17614 11746 1 10 . 1 1 283 283 LYS CB C 295 31.871 31.871 33.002 -1.131 17614 11747 1 10 . 1 1 283 283 LYS H H 295 7.731 7.731 7.850 -0.119 17614 11748 1 10 . 1 1 284 284 ARG H H 296 7.895 7.895 8.025 -0.130 17614 11749 1 10 . 1 1 285 285 ALA C C 297 176.488 176.488 176.251 0.237 17614 11750 1 10 . 1 1 285 285 ALA H H 297 8.223 8.223 8.494 -0.271 17614 11751 1 10 . 1 1 286 286 LEU N N 298 117.376 117.376 116.440 0.936 17614 11752 1 10 . 1 1 286 286 LEU C C 298 178.628 178.628 175.767 2.861 17614 11753 1 10 . 1 1 286 286 LEU CA C 298 58.217 58.217 54.024 4.193 17614 11754 1 10 . 1 1 286 286 LEU CB C 298 41.905 41.905 43.255 -1.350 17614 11755 1 10 . 1 1 286 286 LEU H H 298 7.947 7.947 7.672 0.275 17614 11756 1 10 . 1 1 287 287 MET N N 299 127.376 127.376 116.189 11.187 17614 11757 1 10 . 1 1 287 287 MET C C 299 178.472 178.472 174.814 3.658 17614 11758 1 10 . 1 1 287 287 MET CA C 299 58.461 58.461 55.397 3.064 17614 11759 1 10 . 1 1 287 287 MET CB C 299 32.110 32.110 33.809 -1.698 17614 11760 1 10 . 1 1 287 287 MET H H 299 8.182 8.182 8.078 0.104 17614 11761 1 10 . 1 1 288 288 ALA N N 300 121.854 121.854 123.113 -1.259 17614 11762 1 10 . 1 1 288 288 ALA C C 300 180.197 180.197 176.210 3.987 17614 11763 1 10 . 1 1 288 288 ALA CA C 300 55.617 55.617 52.001 3.616 17614 11764 1 10 . 1 1 288 288 ALA CB C 300 18.215 18.215 20.309 -2.095 17614 11765 1 10 . 1 1 288 288 ALA H H 300 7.841 7.841 8.290 -0.449 17614 11766 1 10 . 1 1 289 289 ALA N N 301 121.224 121.224 128.518 -7.294 17614 11767 1 10 . 1 1 289 289 ALA C C 301 178.939 178.939 178.504 0.435 17614 11768 1 10 . 1 1 289 289 ALA CA C 301 55.186 55.186 54.170 1.016 17614 11769 1 10 . 1 1 289 289 ALA CB C 301 18.735 18.735 19.142 -0.407 17614 11770 1 10 . 1 1 289 289 ALA H H 301 7.872 7.872 8.718 -0.846 17614 11771 1 10 . 1 1 290 290 TYR N N 302 118.183 118.183 119.675 -1.492 17614 11772 1 10 . 1 1 290 290 TYR C C 302 176.841 176.841 177.872 -1.031 17614 11773 1 10 . 1 1 290 290 TYR CA C 302 60.868 60.868 61.444 -0.576 17614 11774 1 10 . 1 1 290 290 TYR CB C 302 39.344 39.344 38.106 1.238 17614 11775 1 10 . 1 1 290 290 TYR H H 302 8.100 8.100 8.434 -0.334 17614 11776 1 10 . 1 1 291 291 GLN N N 303 117.243 117.243 118.143 -0.900 17614 11777 1 10 . 1 1 291 291 GLN C C 303 176.997 176.997 178.434 -1.437 17614 11778 1 10 . 1 1 291 291 GLN CA C 303 58.787 58.787 59.363 -0.576 17614 11779 1 10 . 1 1 291 291 GLN CB C 303 29.216 29.216 28.496 0.720 17614 11780 1 10 . 1 1 291 291 GLN H H 303 8.059 8.059 8.611 -0.552 17614 11781 1 10 . 1 1 292 292 SER N N 304 114.721 114.721 114.773 -0.052 17614 11782 1 10 . 1 1 292 292 SER C C 304 174.511 174.511 176.136 -1.625 17614 11783 1 10 . 1 1 292 292 SER CA C 304 59.720 59.720 61.403 -1.683 17614 11784 1 10 . 1 1 292 292 SER CB C 304 63.896 63.896 63.120 0.776 17614 11785 1 10 . 1 1 292 292 SER H H 304 7.718 7.718 7.899 -0.181 17614 11786 1 10 . 1 1 293 293 ARG N N 305 121.401 121.401 121.786 -0.385 17614 11787 1 10 . 1 1 293 293 ARG C C 305 175.521 175.521 177.873 -2.352 17614 11788 1 10 . 1 1 293 293 ARG CA C 305 59.639 59.639 58.559 1.080 17614 11789 1 10 . 1 1 293 293 ARG CB C 305 30.568 30.568 30.615 -0.047 17614 11790 1 10 . 1 1 293 293 ARG H H 305 7.609 7.609 8.166 -0.557 17614 11791 1 10 . 1 1 294 294 GLU N N 306 120.090 120.090 116.844 3.246 17614 11792 1 10 . 1 1 294 294 GLU C C 306 177.648 177.648 179.071 -1.423 17614 11793 1 10 . 1 1 294 294 GLU CA C 306 59.624 59.624 58.476 1.148 17614 11794 1 10 . 1 1 294 294 GLU CB C 306 30.362 30.362 29.237 1.125 17614 11795 1 10 . 1 1 294 294 GLU H H 306 7.909 7.909 7.602 0.307 17614 11796 1 10 . 1 1 295 295 ALA N N 307 121.234 121.234 124.999 -3.765 17614 11797 1 10 . 1 1 295 295 ALA C C 307 176.014 176.014 177.365 -1.351 17614 11798 1 10 . 1 1 295 295 ALA CA C 307 56.844 56.844 55.279 1.565 17614 11799 1 10 . 1 1 295 295 ALA CB C 307 17.735 17.735 16.867 0.868 17614 11800 1 10 . 1 1 295 295 ALA H H 307 7.760 7.760 7.862 -0.102 17614 11801 1 11 . 1 1 3 3 VAL N N 15 123.095 123.095 124.097 -1.002 17614 11802 1 11 . 1 1 3 3 VAL C C 15 176.453 176.453 176.419 0.034 17614 11803 1 11 . 1 1 3 3 VAL CA C 15 63.979 63.979 60.429 3.550 17614 11804 1 11 . 1 1 3 3 VAL CB C 15 32.507 32.507 36.225 -3.718 17614 11805 1 11 . 1 1 3 3 VAL H H 15 8.053 8.053 7.666 0.387 17614 11806 1 11 . 1 1 4 4 LYS N N 16 123.075 123.075 121.627 1.448 17614 11807 1 11 . 1 1 4 4 LYS C C 16 176.841 176.841 178.613 -1.772 17614 11808 1 11 . 1 1 4 4 LYS CA C 16 59.762 59.762 59.023 0.740 17614 11809 1 11 . 1 1 4 4 LYS CB C 16 32.751 32.751 32.557 0.194 17614 11810 1 11 . 1 1 4 4 LYS H H 16 8.059 8.059 8.695 -0.636 17614 11811 1 11 . 1 1 5 5 PHE N N 17 118.838 118.838 121.170 -2.332 17614 11812 1 11 . 1 1 5 5 PHE C C 17 175.443 175.443 176.756 -1.313 17614 11813 1 11 . 1 1 5 5 PHE CA C 17 59.915 59.915 60.681 -0.766 17614 11814 1 11 . 1 1 5 5 PHE CB C 17 39.659 39.659 38.672 0.987 17614 11815 1 11 . 1 1 5 5 PHE H H 17 7.909 7.909 8.145 -0.236 17614 11816 1 11 . 1 1 6 6 LEU N N 18 119.089 119.089 116.257 2.832 17614 11817 1 11 . 1 1 6 6 LEU C C 18 177.195 177.195 178.744 -1.549 17614 11818 1 11 . 1 1 6 6 LEU CA C 18 55.385 55.385 56.938 -1.552 17614 11819 1 11 . 1 1 6 6 LEU CB C 18 42.905 42.905 40.766 2.139 17614 11820 1 11 . 1 1 6 6 LEU H H 18 7.814 7.814 7.927 -0.113 17614 11821 1 11 . 1 1 7 7 GLY N N 19 108.484 108.484 108.488 -0.004 17614 11822 1 11 . 1 1 7 7 GLY C C 19 174.967 174.967 175.522 -0.555 17614 11823 1 11 . 1 1 7 7 GLY CA C 19 45.518 45.518 47.000 -1.482 17614 11824 1 11 . 1 1 7 7 GLY H H 19 8.032 8.032 8.200 -0.168 17614 11825 1 11 . 1 1 8 8 ALA N N 20 124.208 124.208 123.844 0.364 17614 11826 1 11 . 1 1 8 8 ALA C C 20 179.405 179.405 179.417 -0.012 17614 11827 1 11 . 1 1 8 8 ALA CA C 20 54.531 54.531 54.421 0.110 17614 11828 1 11 . 1 1 8 8 ALA CB C 20 18.995 18.995 18.130 0.865 17614 11829 1 11 . 1 1 8 8 ALA H H 20 8.318 8.318 7.955 0.363 17614 11830 1 11 . 1 1 9 9 GLY N N 21 108.209 108.209 107.106 1.103 17614 11831 1 11 . 1 1 9 9 GLY C C 21 175.676 175.676 176.256 -0.580 17614 11832 1 11 . 1 1 9 9 GLY CA C 21 46.742 46.742 47.342 -0.600 17614 11833 1 11 . 1 1 9 9 GLY H H 21 8.523 8.523 8.069 0.454 17614 11834 1 11 . 1 1 10 10 THR N N 22 119.542 119.542 115.186 4.356 17614 11835 1 11 . 1 1 10 10 THR C C 22 175.661 175.661 176.160 -0.499 17614 11836 1 11 . 1 1 10 10 THR CA C 22 66.401 66.401 65.816 0.585 17614 11837 1 11 . 1 1 10 10 THR CB C 22 68.866 68.866 68.562 0.304 17614 11838 1 11 . 1 1 10 10 THR H H 22 7.881 7.881 8.314 -0.433 17614 11839 1 11 . 1 1 11 11 ALA N N 23 123.431 123.431 125.240 -1.809 17614 11840 1 11 . 1 1 11 11 ALA C C 23 178.628 178.628 178.980 -0.352 17614 11841 1 11 . 1 1 11 11 ALA CA C 23 55.480 55.480 55.064 0.416 17614 11842 1 11 . 1 1 11 11 ALA CB C 23 18.218 18.218 18.129 0.089 17614 11843 1 11 . 1 1 11 11 ALA H H 23 8.263 8.263 7.526 0.737 17614 11844 1 11 . 1 1 12 12 ALA N N 24 119.939 119.939 120.838 -0.899 17614 11845 1 11 . 1 1 12 12 ALA C C 24 179.172 179.172 179.043 0.129 17614 11846 1 11 . 1 1 12 12 ALA CA C 24 55.038 55.038 55.023 0.015 17614 11847 1 11 . 1 1 12 12 ALA CB C 24 18.385 18.385 18.223 0.162 17614 11848 1 11 . 1 1 12 12 ALA H H 24 7.827 7.827 8.404 -0.577 17614 11849 1 11 . 1 1 13 13 CYS N N 25 116.736 116.736 117.713 -0.977 17614 11850 1 11 . 1 1 13 13 CYS C C 25 176.220 176.220 176.450 -0.230 17614 11851 1 11 . 1 1 13 13 CYS CA C 25 58.596 58.596 62.291 -3.695 17614 11852 1 11 . 1 1 13 13 CYS CB C 25 41.771 41.771 27.422 14.349 17614 11853 1 11 . 1 1 13 13 CYS H H 25 7.677 7.677 7.465 0.212 17614 11854 1 11 . 1 1 14 14 ILE N N 26 119.154 119.154 120.809 -1.655 17614 11855 1 11 . 1 1 14 14 ILE C C 26 176.915 176.915 176.813 0.102 17614 11856 1 11 . 1 1 14 14 ILE CA C 26 64.858 64.858 64.116 0.742 17614 11857 1 11 . 1 1 14 14 ILE CB C 26 38.090 38.090 38.049 0.041 17614 11858 1 11 . 1 1 14 14 ILE H H 26 7.899 7.899 7.640 0.259 17614 11859 1 11 . 1 1 15 15 ALA N N 27 121.116 121.116 121.410 -0.294 17614 11860 1 11 . 1 1 15 15 ALA C C 27 179.016 179.016 179.244 -0.228 17614 11861 1 11 . 1 1 15 15 ALA CA C 27 55.367 55.367 55.153 0.214 17614 11862 1 11 . 1 1 15 15 ALA CB C 27 18.385 18.385 18.137 0.248 17614 11863 1 11 . 1 1 15 15 ALA H H 27 7.909 7.909 7.937 -0.028 17614 11864 1 11 . 1 1 16 16 ASP N N 28 116.829 116.829 118.324 -1.495 17614 11865 1 11 . 1 1 16 16 ASP C C 28 177.643 177.643 178.217 -0.574 17614 11866 1 11 . 1 1 16 16 ASP CA C 28 56.453 56.453 56.366 0.087 17614 11867 1 11 . 1 1 16 16 ASP CB C 28 41.128 41.128 41.354 -0.226 17614 11868 1 11 . 1 1 16 16 ASP H H 28 7.554 7.554 7.491 0.063 17614 11869 1 11 . 1 1 17 17 LEU N N 29 119.672 119.672 121.244 -1.572 17614 11870 1 11 . 1 1 17 17 LEU C C 29 178.628 178.628 178.756 -0.128 17614 11871 1 11 . 1 1 17 17 LEU CA C 29 57.144 57.144 58.376 -1.232 17614 11872 1 11 . 1 1 17 17 LEU CB C 29 43.146 43.146 42.189 0.957 17614 11873 1 11 . 1 1 17 17 LEU H H 29 7.732 7.732 7.363 0.369 17614 11874 1 11 . 1 1 18 18 ILE N N 30 113.629 113.629 115.885 -2.256 17614 11875 1 11 . 1 1 18 18 ILE C C 30 176.456 176.456 175.557 0.899 17614 11876 1 11 . 1 1 18 18 ILE CA C 30 60.539 60.539 61.631 -1.092 17614 11877 1 11 . 1 1 18 18 ILE CB C 30 38.506 38.506 38.080 0.426 17614 11878 1 11 . 1 1 18 18 ILE H H 30 7.977 7.977 7.581 0.396 17614 11879 1 11 . 1 1 19 19 THR N N 31 113.314 113.314 110.021 3.293 17614 11880 1 11 . 1 1 19 19 THR C C 31 174.045 174.045 175.805 -1.760 17614 11881 1 11 . 1 1 19 19 THR CA C 31 62.495 62.495 62.522 -0.027 17614 11882 1 11 . 1 1 19 19 THR CB C 31 69.898 69.898 69.958 -0.060 17614 11883 1 11 . 1 1 19 19 THR H H 31 7.738 7.738 7.063 0.675 17614 11884 1 11 . 1 1 20 20 PHE N N 32 123.409 123.409 124.318 -0.909 17614 11885 1 11 . 1 1 20 20 PHE CA C 32 56.349 56.349 61.911 -5.562 17614 11886 1 11 . 1 1 20 20 PHE CB C 32 39.148 39.148 36.903 2.245 17614 11887 1 11 . 1 1 20 20 PHE H H 32 7.609 7.609 8.517 -0.908 17614 11888 1 11 . 1 1 21 21 PRO C C 33 177.831 177.831 177.846 -0.015 17614 11889 1 11 . 1 1 21 21 PRO CA C 33 62.656 62.656 65.139 -2.483 17614 11890 1 11 . 1 1 21 21 PRO CB C 33 34.762 34.762 30.865 3.897 17614 11891 1 11 . 1 1 22 22 LEU N N 34 124.503 124.503 117.661 6.842 17614 11892 1 11 . 1 1 22 22 LEU C C 34 176.298 176.298 178.549 -2.251 17614 11893 1 11 . 1 1 22 22 LEU CA C 34 55.545 55.545 57.354 -1.809 17614 11894 1 11 . 1 1 22 22 LEU CB C 34 43.287 43.287 41.545 1.742 17614 11895 1 11 . 1 1 22 22 LEU H H 34 8.659 8.659 7.277 1.382 17614 11896 1 11 . 1 1 23 23 ASP N N 35 121.663 121.663 118.560 3.103 17614 11897 1 11 . 1 1 23 23 ASP C C 35 177.152 177.152 177.771 -0.619 17614 11898 1 11 . 1 1 23 23 ASP CA C 35 54.326 54.326 57.286 -2.960 17614 11899 1 11 . 1 1 23 23 ASP CB C 35 41.154 41.154 40.966 0.188 17614 11900 1 11 . 1 1 23 23 ASP H H 35 8.236 8.236 7.616 0.620 17614 11901 1 11 . 1 1 24 24 THR N N 36 115.977 115.977 112.356 3.621 17614 11902 1 11 . 1 1 24 24 THR C C 36 177.088 177.088 176.212 0.876 17614 11903 1 11 . 1 1 24 24 THR CA C 36 64.868 64.868 65.648 -0.780 17614 11904 1 11 . 1 1 24 24 THR CB C 36 69.053 69.053 68.641 0.412 17614 11905 1 11 . 1 1 24 24 THR H H 36 8.127 8.127 7.855 0.272 17614 11906 1 11 . 1 1 25 25 ALA N N 37 125.063 125.063 124.018 1.045 17614 11907 1 11 . 1 1 25 25 ALA C C 37 179.143 179.143 179.275 -0.132 17614 11908 1 11 . 1 1 25 25 ALA CA C 37 55.234 55.234 54.934 0.301 17614 11909 1 11 . 1 1 25 25 ALA CB C 37 18.735 18.735 18.555 0.180 17614 11910 1 11 . 1 1 25 25 ALA H H 37 8.042 8.042 7.738 0.304 17614 11911 1 11 . 1 1 26 26 LYS N N 38 117.827 117.827 118.353 -0.526 17614 11912 1 11 . 1 1 26 26 LYS C C 38 178.239 178.239 178.553 -0.314 17614 11913 1 11 . 1 1 26 26 LYS CA C 38 58.861 58.861 58.819 0.042 17614 11914 1 11 . 1 1 26 26 LYS CB C 38 32.724 32.724 31.829 0.895 17614 11915 1 11 . 1 1 26 26 LYS H H 38 7.759 7.759 7.518 0.241 17614 11916 1 11 . 1 1 27 27 VAL N N 39 118.955 118.955 118.603 0.352 17614 11917 1 11 . 1 1 27 27 VAL C C 39 177.892 177.892 177.444 0.448 17614 11918 1 11 . 1 1 27 27 VAL CA C 39 65.478 65.478 65.369 0.109 17614 11919 1 11 . 1 1 27 27 VAL CB C 39 34.675 34.675 31.771 2.904 17614 11920 1 11 . 1 1 27 27 VAL H H 39 7.554 7.554 7.383 0.171 17614 11921 1 11 . 1 1 28 28 ARG N N 40 119.922 119.922 118.137 1.785 17614 11922 1 11 . 1 1 28 28 ARG C C 40 178.391 178.391 178.787 -0.396 17614 11923 1 11 . 1 1 28 28 ARG CA C 40 59.648 59.648 57.845 1.803 17614 11924 1 11 . 1 1 28 28 ARG CB C 40 29.933 29.933 30.185 -0.252 17614 11925 1 11 . 1 1 28 28 ARG H H 40 7.794 7.794 7.402 0.392 17614 11926 1 11 . 1 1 29 29 LEU N N 41 118.720 118.720 120.321 -1.601 17614 11927 1 11 . 1 1 29 29 LEU CA C 41 54.749 54.749 56.080 -1.331 17614 11928 1 11 . 1 1 29 29 LEU CB C 41 40.429 40.429 39.880 0.549 17614 11929 1 11 . 1 1 29 29 LEU H H 41 7.534 7.534 7.693 -0.159 17614 11930 1 11 . 1 1 37 37 GLY C C 49 174.779 174.779 174.757 0.022 17614 11931 1 11 . 1 1 38 38 LEU N N 50 123.029 123.029 120.945 2.084 17614 11932 1 11 . 1 1 38 38 LEU C C 50 178.482 178.482 177.995 0.487 17614 11933 1 11 . 1 1 38 38 LEU CA C 50 56.765 56.765 57.207 -0.442 17614 11934 1 11 . 1 1 38 38 LEU CB C 50 41.673 41.673 41.484 0.189 17614 11935 1 11 . 1 1 38 38 LEU H H 50 8.113 8.113 8.056 0.057 17614 11936 1 11 . 1 1 39 39 VAL N N 51 118.714 118.714 119.122 -0.408 17614 11937 1 11 . 1 1 39 39 VAL C C 51 178.032 178.032 177.105 0.927 17614 11938 1 11 . 1 1 39 39 VAL CA C 51 66.037 66.037 65.733 0.304 17614 11939 1 11 . 1 1 39 39 VAL CB C 51 30.763 30.763 31.744 -0.981 17614 11940 1 11 . 1 1 39 39 VAL H H 51 7.974 7.974 8.118 -0.144 17614 11941 1 11 . 1 1 40 40 ARG N N 52 121.569 121.569 116.834 4.735 17614 11942 1 11 . 1 1 40 40 ARG CA C 52 59.167 59.167 58.387 0.780 17614 11943 1 11 . 1 1 40 40 ARG CB C 52 29.437 29.437 30.190 -0.753 17614 11944 1 11 . 1 1 40 40 ARG H H 52 8.231 8.231 8.101 0.130 17614 11945 1 11 . 1 1 41 41 THR C C 53 175.108 175.108 174.349 0.759 17614 11946 1 11 . 1 1 41 41 THR H H 53 7.948 7.948 7.427 0.521 17614 11947 1 11 . 1 1 42 42 ALA N N 54 121.823 121.823 123.667 -1.844 17614 11948 1 11 . 1 1 42 42 ALA C C 54 174.922 174.922 176.363 -1.441 17614 11949 1 11 . 1 1 42 42 ALA CA C 54 50.101 50.101 51.258 -1.157 17614 11950 1 11 . 1 1 42 42 ALA CB C 54 18.950 18.950 19.249 -0.299 17614 11951 1 11 . 1 1 42 42 ALA H H 54 7.792 7.792 7.711 0.081 17614 11952 1 11 . 1 1 43 43 ALA N N 55 113.986 113.986 125.483 -11.497 17614 11953 1 11 . 1 1 43 43 ALA C C 55 178.007 178.007 176.764 1.243 17614 11954 1 11 . 1 1 43 43 ALA CA C 55 53.458 53.458 53.269 0.189 17614 11955 1 11 . 1 1 43 43 ALA CB C 55 18.809 18.809 19.390 -0.581 17614 11956 1 11 . 1 1 43 43 ALA H H 55 7.333 7.333 8.675 -1.342 17614 11957 1 11 . 1 1 44 44 SER N N 56 125.425 125.425 113.729 11.696 17614 11958 1 11 . 1 1 44 44 SER C C 56 174.899 174.899 173.789 1.110 17614 11959 1 11 . 1 1 44 44 SER CA C 56 59.520 59.520 57.406 2.114 17614 11960 1 11 . 1 1 44 44 SER CB C 56 64.051 64.051 63.139 0.912 17614 11961 1 11 . 1 1 44 44 SER H H 56 7.786 7.786 7.408 0.378 17614 11962 1 11 . 1 1 45 45 ALA N N 57 118.183 118.183 121.322 -3.139 17614 11963 1 11 . 1 1 45 45 ALA CA C 57 53.783 53.783 53.700 0.083 17614 11964 1 11 . 1 1 45 45 ALA CB C 57 17.599 17.599 17.828 -0.228 17614 11965 1 11 . 1 1 45 45 ALA H H 57 8.018 8.018 7.849 0.169 17614 11966 1 11 . 1 1 47 47 TYR C C 59 177.662 177.662 176.851 0.811 17614 11967 1 11 . 1 1 48 48 ARG N N 60 122.798 122.798 117.501 5.297 17614 11968 1 11 . 1 1 48 48 ARG C C 60 177.956 177.956 175.406 2.550 17614 11969 1 11 . 1 1 48 48 ARG CA C 60 58.711 58.711 55.758 2.954 17614 11970 1 11 . 1 1 48 48 ARG CB C 60 30.659 30.659 32.073 -1.414 17614 11971 1 11 . 1 1 48 48 ARG H H 60 8.311 8.311 8.201 0.110 17614 11972 1 11 . 1 1 49 49 GLY N N 61 109.033 109.033 111.500 -2.467 17614 11973 1 11 . 1 1 49 49 GLY C C 61 176.064 176.064 175.590 0.474 17614 11974 1 11 . 1 1 49 49 GLY CA C 61 46.592 46.592 45.584 1.008 17614 11975 1 11 . 1 1 49 49 GLY H H 61 8.182 8.182 8.185 -0.003 17614 11976 1 11 . 1 1 50 50 VAL N N 62 123.218 123.218 125.812 -2.594 17614 11977 1 11 . 1 1 50 50 VAL C C 62 177.540 177.540 178.130 -0.590 17614 11978 1 11 . 1 1 50 50 VAL CA C 62 66.277 66.277 64.359 1.918 17614 11979 1 11 . 1 1 50 50 VAL CB C 62 32.355 32.355 31.619 0.736 17614 11980 1 11 . 1 1 50 50 VAL H H 62 8.105 8.105 8.510 -0.405 17614 11981 1 11 . 1 1 51 51 LEU N N 63 120.295 120.295 120.659 -0.364 17614 11982 1 11 . 1 1 51 51 LEU C C 63 178.628 178.628 178.537 0.091 17614 11983 1 11 . 1 1 51 51 LEU CA C 63 58.366 58.366 57.493 0.873 17614 11984 1 11 . 1 1 51 51 LEU CB C 63 41.675 41.675 41.379 0.296 17614 11985 1 11 . 1 1 51 51 LEU H H 63 8.182 8.182 8.196 -0.014 17614 11986 1 11 . 1 1 52 52 GLY N N 64 106.013 106.013 104.515 1.498 17614 11987 1 11 . 1 1 52 52 GLY C C 64 176.531 176.531 176.081 0.450 17614 11988 1 11 . 1 1 52 52 GLY CA C 64 47.765 47.765 47.061 0.704 17614 11989 1 11 . 1 1 52 52 GLY H H 64 8.102 8.102 7.687 0.415 17614 11990 1 11 . 1 1 53 53 THR N N 65 120.842 120.842 117.441 3.401 17614 11991 1 11 . 1 1 53 53 THR C C 65 176.453 176.453 176.575 -0.122 17614 11992 1 11 . 1 1 53 53 THR CA C 65 67.140 67.140 65.414 1.726 17614 11993 1 11 . 1 1 53 53 THR CB C 65 69.161 69.161 68.880 0.281 17614 11994 1 11 . 1 1 53 53 THR H H 65 7.854 7.854 7.411 0.443 17614 11995 1 11 . 1 1 54 54 ILE N N 66 122.676 122.676 121.807 0.869 17614 11996 1 11 . 1 1 54 54 ILE C C 66 177.307 177.307 177.455 -0.148 17614 11997 1 11 . 1 1 54 54 ILE CA C 66 65.832 65.832 65.284 0.548 17614 11998 1 11 . 1 1 54 54 ILE CB C 66 38.090 38.090 37.748 0.342 17614 11999 1 11 . 1 1 54 54 ILE H H 66 8.018 8.018 7.524 0.494 17614 12000 1 11 . 1 1 55 55 LEU N N 67 119.838 119.838 119.915 -0.077 17614 12001 1 11 . 1 1 55 55 LEU C C 67 178.706 178.706 178.621 0.085 17614 12002 1 11 . 1 1 55 55 LEU CA C 67 58.491 58.491 58.459 0.032 17614 12003 1 11 . 1 1 55 55 LEU CB C 67 41.387 41.387 40.856 0.531 17614 12004 1 11 . 1 1 55 55 LEU H H 67 8.291 8.291 7.533 0.758 17614 12005 1 11 . 1 1 56 56 THR N N 68 115.362 115.362 115.003 0.359 17614 12006 1 11 . 1 1 56 56 THR C C 68 176.764 176.764 176.587 0.177 17614 12007 1 11 . 1 1 56 56 THR CA C 68 67.040 67.040 66.644 0.396 17614 12008 1 11 . 1 1 56 56 THR CB C 68 69.403 69.403 68.725 0.678 17614 12009 1 11 . 1 1 56 56 THR H H 68 7.963 7.963 7.184 0.779 17614 12010 1 11 . 1 1 57 57 MET N N 69 122.960 122.960 121.311 1.649 17614 12011 1 11 . 1 1 57 57 MET C C 69 177.153 177.153 177.812 -0.659 17614 12012 1 11 . 1 1 57 57 MET CA C 69 59.710 59.710 59.265 0.445 17614 12013 1 11 . 1 1 57 57 MET CB C 69 33.111 33.111 32.744 0.367 17614 12014 1 11 . 1 1 57 57 MET H H 69 7.977 7.977 7.621 0.356 17614 12015 1 11 . 1 1 58 58 VAL N N 70 119.558 119.558 117.214 2.344 17614 12016 1 11 . 1 1 58 58 VAL C C 70 176.841 176.841 178.653 -1.812 17614 12017 1 11 . 1 1 58 58 VAL CA C 70 66.277 66.277 65.003 1.274 17614 12018 1 11 . 1 1 58 58 VAL CB C 70 31.362 31.362 31.589 -0.227 17614 12019 1 11 . 1 1 58 58 VAL H H 70 7.751 7.751 7.438 0.313 17614 12020 1 11 . 1 1 59 59 ARG N N 71 118.002 118.002 118.478 -0.476 17614 12021 1 11 . 1 1 59 59 ARG C C 71 177.152 177.152 177.850 -0.698 17614 12022 1 11 . 1 1 59 59 ARG CA C 71 58.761 58.761 57.694 1.067 17614 12023 1 11 . 1 1 59 59 ARG CB C 71 30.656 30.656 29.616 1.040 17614 12024 1 11 . 1 1 59 59 ARG H H 71 7.827 7.827 7.659 0.168 17614 12025 1 11 . 1 1 60 60 THR N N 72 111.410 111.410 114.817 -3.407 17614 12026 1 11 . 1 1 60 60 THR C C 72 175.288 175.288 175.710 -0.422 17614 12027 1 11 . 1 1 60 60 THR CA C 72 64.194 64.194 65.425 -1.231 17614 12028 1 11 . 1 1 60 60 THR CB C 72 70.312 70.312 69.104 1.208 17614 12029 1 11 . 1 1 60 60 THR H H 72 7.745 7.745 7.746 -0.001 17614 12030 1 11 . 1 1 61 61 GLU N N 73 120.577 120.577 118.613 1.964 17614 12031 1 11 . 1 1 61 61 GLU C C 73 177.696 177.696 175.969 1.727 17614 12032 1 11 . 1 1 61 61 GLU CA C 73 57.363 57.363 56.747 0.616 17614 12033 1 11 . 1 1 61 61 GLU CB C 73 30.927 30.927 31.481 -0.554 17614 12034 1 11 . 1 1 61 61 GLU H H 73 8.263 8.263 8.278 -0.015 17614 12035 1 11 . 1 1 62 62 GLY N N 74 108.209 108.209 105.886 2.323 17614 12036 1 11 . 1 1 62 62 GLY CA C 74 45.593 45.593 44.600 0.993 17614 12037 1 11 . 1 1 62 62 GLY H H 74 7.841 7.841 7.471 0.370 17614 12038 1 11 . 1 1 63 63 PRO C C 75 177.152 177.152 178.528 -1.376 17614 12039 1 11 . 1 1 63 63 PRO CA C 75 65.652 65.652 64.312 1.340 17614 12040 1 11 . 1 1 63 63 PRO CB C 75 32.294 32.294 32.380 -0.086 17614 12041 1 11 . 1 1 64 64 ARG N N 76 118.553 118.553 118.071 0.482 17614 12042 1 11 . 1 1 64 64 ARG C C 76 177.696 177.696 177.181 0.515 17614 12043 1 11 . 1 1 64 64 ARG CA C 76 59.785 59.785 58.183 1.602 17614 12044 1 11 . 1 1 64 64 ARG CB C 76 29.671 29.671 29.831 -0.160 17614 12045 1 11 . 1 1 64 64 ARG H H 76 8.427 8.427 8.581 -0.154 17614 12046 1 11 . 1 1 65 65 SER N N 77 115.323 115.323 113.414 1.909 17614 12047 1 11 . 1 1 65 65 SER C C 77 177.230 177.230 176.436 0.794 17614 12048 1 11 . 1 1 65 65 SER CA C 77 61.318 61.318 60.747 0.571 17614 12049 1 11 . 1 1 65 65 SER CB C 77 63.281 63.281 64.129 -0.848 17614 12050 1 11 . 1 1 65 65 SER H H 77 7.963 7.963 8.009 -0.046 17614 12051 1 11 . 1 1 66 66 LEU N N 78 122.598 122.598 122.056 0.542 17614 12052 1 11 . 1 1 66 66 LEU C C 78 177.696 177.696 177.854 -0.158 17614 12053 1 11 . 1 1 66 66 LEU CA C 78 57.792 57.792 57.060 0.732 17614 12054 1 11 . 1 1 66 66 LEU CB C 78 42.202 42.202 42.371 -0.169 17614 12055 1 11 . 1 1 66 66 LEU H H 78 7.595 7.595 7.793 -0.198 17614 12056 1 11 . 1 1 67 67 TYR N N 79 119.276 119.276 113.917 5.359 17614 12057 1 11 . 1 1 67 67 TYR C C 79 176.142 176.142 175.073 1.069 17614 12058 1 11 . 1 1 67 67 TYR CA C 79 60.792 60.792 58.900 1.892 17614 12059 1 11 . 1 1 67 67 TYR CB C 79 38.687 38.687 38.493 0.194 17614 12060 1 11 . 1 1 67 67 TYR H H 79 7.868 7.868 7.612 0.256 17614 12061 1 11 . 1 1 68 68 ASN N N 80 117.249 117.249 116.343 0.906 17614 12062 1 11 . 1 1 68 68 ASN C C 80 178.472 178.472 175.417 3.055 17614 12063 1 11 . 1 1 68 68 ASN CA C 80 53.024 53.024 52.635 0.390 17614 12064 1 11 . 1 1 68 68 ASN CB C 80 37.946 37.946 40.361 -2.415 17614 12065 1 11 . 1 1 68 68 ASN H H 80 8.374 8.374 7.343 1.031 17614 12066 1 11 . 1 1 69 69 GLY N N 81 108.575 108.575 109.525 -0.950 17614 12067 1 11 . 1 1 69 69 GLY C C 81 175.521 175.521 175.486 0.035 17614 12068 1 11 . 1 1 69 69 GLY CA C 81 46.266 46.266 45.455 0.811 17614 12069 1 11 . 1 1 69 69 GLY H H 81 8.086 8.086 8.616 -0.530 17614 12070 1 11 . 1 1 70 70 LEU N N 82 124.326 124.326 121.873 2.453 17614 12071 1 11 . 1 1 70 70 LEU C C 82 178.239 178.239 178.306 -0.067 17614 12072 1 11 . 1 1 70 70 LEU CA C 82 58.217 58.217 57.195 1.022 17614 12073 1 11 . 1 1 70 70 LEU CB C 82 42.351 42.351 41.568 0.783 17614 12074 1 11 . 1 1 70 70 LEU H H 82 7.991 7.991 8.100 -0.109 17614 12075 1 11 . 1 1 71 71 VAL N N 83 117.727 117.727 117.488 0.239 17614 12076 1 11 . 1 1 71 71 VAL C C 83 177.851 177.851 177.335 0.516 17614 12077 1 11 . 1 1 71 71 VAL CA C 83 64.113 64.113 65.246 -1.133 17614 12078 1 11 . 1 1 71 71 VAL CB C 83 31.924 31.924 31.352 0.572 17614 12079 1 11 . 1 1 71 71 VAL H H 83 8.004 8.004 7.967 0.037 17614 12080 1 11 . 1 1 72 72 ALA N N 84 121.414 121.414 122.305 -0.891 17614 12081 1 11 . 1 1 72 72 ALA C C 84 180.570 180.570 179.052 1.518 17614 12082 1 11 . 1 1 72 72 ALA CA C 84 55.031 55.031 54.232 0.799 17614 12083 1 11 . 1 1 72 72 ALA CB C 84 18.286 18.286 18.159 0.127 17614 12084 1 11 . 1 1 72 72 ALA H H 84 7.677 7.677 7.219 0.458 17614 12085 1 11 . 1 1 73 73 GLY N N 85 106.471 106.471 107.440 -0.969 17614 12086 1 11 . 1 1 73 73 GLY C C 85 175.521 175.521 175.800 -0.279 17614 12087 1 11 . 1 1 73 73 GLY CA C 85 47.191 47.191 46.543 0.648 17614 12088 1 11 . 1 1 73 73 GLY H H 85 7.963 7.963 7.766 0.197 17614 12089 1 11 . 1 1 74 74 LEU N N 86 122.326 122.326 122.595 -0.269 17614 12090 1 11 . 1 1 74 74 LEU C C 86 178.239 178.239 178.102 0.137 17614 12091 1 11 . 1 1 74 74 LEU CA C 86 57.493 57.493 57.780 -0.287 17614 12092 1 11 . 1 1 74 74 LEU CB C 86 42.202 42.202 42.070 0.132 17614 12093 1 11 . 1 1 74 74 LEU H H 86 8.100 8.100 7.465 0.635 17614 12094 1 11 . 1 1 75 75 GLN N N 87 117.736 117.736 117.358 0.378 17614 12095 1 11 . 1 1 75 75 GLN C C 87 177.340 177.340 177.849 -0.509 17614 12096 1 11 . 1 1 75 75 GLN CA C 87 57.787 57.787 58.429 -0.642 17614 12097 1 11 . 1 1 75 75 GLN CB C 87 28.942 28.942 27.526 1.416 17614 12098 1 11 . 1 1 75 75 GLN H H 87 8.004 8.004 7.845 0.159 17614 12099 1 11 . 1 1 76 76 ARG N N 88 118.107 118.107 119.776 -1.669 17614 12100 1 11 . 1 1 76 76 ARG C C 88 177.930 177.930 178.857 -0.927 17614 12101 1 11 . 1 1 76 76 ARG CA C 88 58.062 58.062 59.485 -1.423 17614 12102 1 11 . 1 1 76 76 ARG CB C 88 30.774 30.774 29.644 1.130 17614 12103 1 11 . 1 1 76 76 ARG H H 88 7.568 7.568 7.309 0.259 17614 12104 1 11 . 1 1 77 77 GLN N N 89 117.921 117.921 118.969 -1.048 17614 12105 1 11 . 1 1 77 77 GLN C C 89 177.375 177.375 178.447 -1.072 17614 12106 1 11 . 1 1 77 77 GLN CA C 89 56.838 56.838 58.228 -1.390 17614 12107 1 11 . 1 1 77 77 GLN CB C 89 29.006 29.006 28.726 0.281 17614 12108 1 11 . 1 1 77 77 GLN H H 89 7.827 7.827 7.405 0.422 17614 12109 1 11 . 1 1 78 78 MET N N 90 118.378 118.378 118.573 -0.195 17614 12110 1 11 . 1 1 78 78 MET C C 90 176.365 176.365 178.343 -1.978 17614 12111 1 11 . 1 1 78 78 MET CA C 90 56.339 56.339 59.118 -2.780 17614 12112 1 11 . 1 1 78 78 MET CB C 90 33.444 33.444 32.432 1.012 17614 12113 1 11 . 1 1 78 78 MET H H 90 7.963 7.963 8.481 -0.518 17614 12114 1 11 . 1 1 79 79 SER N N 91 115.089 115.089 116.327 -1.238 17614 12115 1 11 . 1 1 79 79 SER C C 91 175.899 175.899 176.609 -0.710 17614 12116 1 11 . 1 1 79 79 SER CA C 91 58.621 58.621 60.836 -2.215 17614 12117 1 11 . 1 1 79 79 SER CB C 91 64.337 64.337 62.677 1.660 17614 12118 1 11 . 1 1 79 79 SER H H 91 7.868 7.868 7.798 0.070 17614 12119 1 11 . 1 1 80 80 PHE N N 92 122.852 122.852 122.958 -0.106 17614 12120 1 11 . 1 1 80 80 PHE C C 92 177.375 177.375 176.238 1.137 17614 12121 1 11 . 1 1 80 80 PHE CA C 92 59.095 59.095 61.206 -2.111 17614 12122 1 11 . 1 1 80 80 PHE CB C 92 38.937 38.937 38.932 0.005 17614 12123 1 11 . 1 1 80 80 PHE H H 92 8.332 8.332 7.528 0.804 17614 12124 1 11 . 1 1 81 81 ALA N N 93 123.258 123.258 119.011 4.247 17614 12125 1 11 . 1 1 81 81 ALA C C 93 178.628 178.628 179.378 -0.750 17614 12126 1 11 . 1 1 81 81 ALA CA C 93 54.881 54.881 54.605 0.276 17614 12127 1 11 . 1 1 81 81 ALA CB C 93 17.902 17.902 18.219 -0.317 17614 12128 1 11 . 1 1 81 81 ALA H H 93 8.223 8.223 7.592 0.631 17614 12129 1 11 . 1 1 82 82 SER N N 94 112.886 112.886 114.819 -1.933 17614 12130 1 11 . 1 1 82 82 SER C C 94 176.831 176.831 176.984 -0.153 17614 12131 1 11 . 1 1 82 82 SER CA C 94 60.319 60.319 61.489 -1.171 17614 12132 1 11 . 1 1 82 82 SER CB C 94 63.611 63.611 63.130 0.481 17614 12133 1 11 . 1 1 82 82 SER H H 94 7.977 7.977 7.591 0.386 17614 12134 1 11 . 1 1 83 83 VAL N N 95 121.854 121.854 116.972 4.882 17614 12135 1 11 . 1 1 83 83 VAL C C 95 176.220 176.220 176.197 0.023 17614 12136 1 11 . 1 1 83 83 VAL CA C 95 64.629 64.629 65.332 -0.702 17614 12137 1 11 . 1 1 83 83 VAL CB C 95 31.328 31.328 31.332 -0.004 17614 12138 1 11 . 1 1 83 83 VAL H H 95 7.581 7.581 7.603 -0.022 17614 12139 1 11 . 1 1 84 84 ARG N N 96 121.329 121.329 114.831 6.498 17614 12140 1 11 . 1 1 84 84 ARG C C 96 176.814 176.814 176.398 0.416 17614 12141 1 11 . 1 1 84 84 ARG CA C 96 58.636 58.636 57.247 1.389 17614 12142 1 11 . 1 1 84 84 ARG CB C 96 30.672 30.672 27.925 2.747 17614 12143 1 11 . 1 1 84 84 ARG H H 96 7.936 7.936 7.272 0.664 17614 12144 1 11 . 1 1 85 85 ILE N N 97 119.194 119.194 119.342 -0.148 17614 12145 1 11 . 1 1 85 85 ILE C C 97 177.152 177.152 176.056 1.096 17614 12146 1 11 . 1 1 85 85 ILE CA C 97 63.296 63.296 62.107 1.189 17614 12147 1 11 . 1 1 85 85 ILE CB C 97 38.757 38.757 38.348 0.409 17614 12148 1 11 . 1 1 85 85 ILE H H 97 7.802 7.802 7.462 0.340 17614 12149 1 11 . 1 1 86 86 GLY N N 98 109.857 109.857 108.112 1.745 17614 12150 1 11 . 1 1 86 86 GLY C C 98 176.064 176.064 174.473 1.591 17614 12151 1 11 . 1 1 86 86 GLY CA C 98 46.941 46.941 46.145 0.796 17614 12152 1 11 . 1 1 86 86 GLY H H 98 8.127 8.127 7.602 0.525 17614 12153 1 11 . 1 1 87 87 LEU N N 99 123.258 123.258 122.558 0.700 17614 12154 1 11 . 1 1 87 87 LEU C C 99 177.856 177.856 177.841 0.015 17614 12155 1 11 . 1 1 87 87 LEU CA C 99 58.264 58.264 56.985 1.279 17614 12156 1 11 . 1 1 87 87 LEU CB C 99 42.488 42.488 42.261 0.226 17614 12157 1 11 . 1 1 87 87 LEU H H 99 8.223 8.223 8.125 0.098 17614 12158 1 11 . 1 1 88 88 TYR N N 100 119.770 119.770 119.229 0.541 17614 12159 1 11 . 1 1 88 88 TYR C C 100 176.997 176.997 177.158 -0.161 17614 12160 1 11 . 1 1 88 88 TYR CA C 100 61.592 61.592 61.776 -0.184 17614 12161 1 11 . 1 1 88 88 TYR CB C 100 38.809 38.809 38.087 0.722 17614 12162 1 11 . 1 1 88 88 TYR H H 100 8.207 8.207 8.180 0.027 17614 12163 1 11 . 1 1 89 89 ASP N N 101 118.460 118.460 117.633 0.827 17614 12164 1 11 . 1 1 89 89 ASP C C 101 178.939 178.939 178.531 0.408 17614 12165 1 11 . 1 1 89 89 ASP CA C 101 57.797 57.797 56.867 0.930 17614 12166 1 11 . 1 1 89 89 ASP CB C 101 40.498 40.498 39.645 0.853 17614 12167 1 11 . 1 1 89 89 ASP H H 101 8.401 8.401 8.562 -0.161 17614 12168 1 11 . 1 1 90 90 SER N N 102 116.022 116.022 115.729 0.293 17614 12169 1 11 . 1 1 90 90 SER C C 102 176.005 176.005 176.311 -0.306 17614 12170 1 11 . 1 1 90 90 SER CA C 102 62.791 62.791 61.599 1.192 17614 12171 1 11 . 1 1 90 90 SER CB C 102 64.211 64.211 63.240 0.971 17614 12172 1 11 . 1 1 90 90 SER H H 102 7.854 7.854 7.687 0.167 17614 12173 1 11 . 1 1 91 91 VAL N N 103 120.844 120.844 120.821 0.023 17614 12174 1 11 . 1 1 91 91 VAL C C 103 177.307 177.307 177.075 0.232 17614 12175 1 11 . 1 1 91 91 VAL CA C 103 66.510 66.510 64.782 1.728 17614 12176 1 11 . 1 1 91 91 VAL CB C 103 31.965 31.965 31.525 0.440 17614 12177 1 11 . 1 1 91 91 VAL H H 103 7.926 7.926 7.474 0.452 17614 12178 1 11 . 1 1 92 92 LYS N N 104 120.468 120.468 119.597 0.871 17614 12179 1 11 . 1 1 92 92 LYS C C 104 178.861 178.861 178.911 -0.050 17614 12180 1 11 . 1 1 92 92 LYS CA C 104 60.184 60.184 59.915 0.269 17614 12181 1 11 . 1 1 92 92 LYS CB C 104 31.979 31.979 32.390 -0.411 17614 12182 1 11 . 1 1 92 92 LYS H H 104 8.127 8.127 8.029 0.098 17614 12183 1 11 . 1 1 93 93 GLN N N 105 118.386 118.386 117.282 1.104 17614 12184 1 11 . 1 1 93 93 GLN C C 105 177.540 177.540 177.812 -0.272 17614 12185 1 11 . 1 1 93 93 GLN CA C 105 58.786 58.786 57.853 0.933 17614 12186 1 11 . 1 1 93 93 GLN CB C 105 28.377 28.377 28.830 -0.453 17614 12187 1 11 . 1 1 93 93 GLN H H 105 7.841 7.841 8.128 -0.287 17614 12188 1 11 . 1 1 94 94 PHE N N 106 119.471 119.471 117.879 1.592 17614 12189 1 11 . 1 1 94 94 PHE C C 106 176.531 176.531 175.519 1.012 17614 12190 1 11 . 1 1 94 94 PHE CA C 106 60.593 60.593 60.182 0.411 17614 12191 1 11 . 1 1 94 94 PHE CB C 106 39.459 39.459 39.348 0.111 17614 12192 1 11 . 1 1 94 94 PHE H H 106 7.772 7.772 7.519 0.253 17614 12193 1 11 . 1 1 95 95 TYR N N 107 118.288 118.288 112.856 5.432 17614 12194 1 11 . 1 1 95 95 TYR C C 107 176.220 176.220 176.762 -0.542 17614 12195 1 11 . 1 1 95 95 TYR CA C 107 60.543 60.543 58.005 2.538 17614 12196 1 11 . 1 1 95 95 TYR CB C 107 38.819 38.819 39.994 -1.175 17614 12197 1 11 . 1 1 95 95 TYR H H 107 8.045 8.045 7.321 0.724 17614 12198 1 11 . 1 1 96 96 THR N N 108 113.383 113.383 110.209 3.174 17614 12199 1 11 . 1 1 96 96 THR C C 108 175.288 175.288 174.656 0.632 17614 12200 1 11 . 1 1 96 96 THR CA C 108 64.094 64.094 61.829 2.265 17614 12201 1 11 . 1 1 96 96 THR CB C 108 69.986 69.986 69.450 0.536 17614 12202 1 11 . 1 1 96 96 THR H H 108 7.868 7.868 7.542 0.327 17614 12203 1 11 . 1 1 101 101 HIS C C 113 173.413 173.413 173.964 -0.551 17614 12204 1 11 . 1 1 101 101 HIS H H 113 7.968 7.968 8.268 -0.300 17614 12205 1 11 . 1 1 102 102 ALA N N 114 119.456 119.456 125.968 -6.512 17614 12206 1 11 . 1 1 102 102 ALA C C 114 177.851 177.851 176.048 1.803 17614 12207 1 11 . 1 1 102 102 ALA CA C 114 53.283 53.283 52.264 1.020 17614 12208 1 11 . 1 1 102 102 ALA CB C 114 19.362 19.362 19.349 0.013 17614 12209 1 11 . 1 1 102 102 ALA H H 114 8.433 8.433 7.553 0.880 17614 12210 1 11 . 1 1 103 103 GLY N N 115 108.484 108.484 106.650 1.834 17614 12211 1 11 . 1 1 103 103 GLY C C 115 174.822 174.822 175.185 -0.363 17614 12212 1 11 . 1 1 103 103 GLY CA C 115 45.968 45.968 44.935 1.033 17614 12213 1 11 . 1 1 103 103 GLY H H 115 8.250 8.250 8.118 0.132 17614 12214 1 11 . 1 1 104 104 ILE N N 116 121.139 121.139 121.526 -0.387 17614 12215 1 11 . 1 1 104 104 ILE C C 116 176.841 176.841 176.861 -0.020 17614 12216 1 11 . 1 1 104 104 ILE CA C 116 63.160 63.160 63.801 -0.641 17614 12217 1 11 . 1 1 104 104 ILE CB C 116 38.853 38.853 38.023 0.830 17614 12218 1 11 . 1 1 104 104 ILE H H 116 8.127 8.127 8.153 -0.026 17614 12219 1 11 . 1 1 105 105 GLY N N 117 110.863 110.863 107.310 3.553 17614 12220 1 11 . 1 1 105 105 GLY C C 117 174.588 174.588 175.527 -0.939 17614 12221 1 11 . 1 1 105 105 GLY CA C 117 46.791 46.791 47.324 -0.533 17614 12222 1 11 . 1 1 105 105 GLY H H 117 8.509 8.509 8.438 0.071 17614 12223 1 11 . 1 1 106 106 SER N N 118 116.069 116.069 118.937 -2.868 17614 12224 1 11 . 1 1 106 106 SER C C 118 175.754 175.754 176.743 -0.989 17614 12225 1 11 . 1 1 106 106 SER CA C 118 60.319 60.319 62.721 -2.402 17614 12226 1 11 . 1 1 106 106 SER CB C 118 63.864 63.864 62.729 1.135 17614 12227 1 11 . 1 1 106 106 SER H H 118 7.991 7.991 8.135 -0.144 17614 12228 1 11 . 1 1 107 107 ARG N N 119 122.134 122.134 120.509 1.625 17614 12229 1 11 . 1 1 107 107 ARG C C 119 178.228 178.228 178.583 -0.355 17614 12230 1 11 . 1 1 107 107 ARG CA C 119 57.787 57.787 59.877 -2.090 17614 12231 1 11 . 1 1 107 107 ARG CB C 119 30.549 30.549 30.278 0.271 17614 12232 1 11 . 1 1 107 107 ARG H H 119 7.963 7.963 8.005 -0.042 17614 12233 1 11 . 1 1 108 108 LEU N N 120 120.403 120.403 120.651 -0.248 17614 12234 1 11 . 1 1 108 108 LEU C C 120 177.230 177.230 178.399 -1.169 17614 12235 1 11 . 1 1 108 108 LEU CA C 120 57.967 57.967 57.980 -0.013 17614 12236 1 11 . 1 1 108 108 LEU CB C 120 42.146 42.146 41.317 0.829 17614 12237 1 11 . 1 1 108 108 LEU H H 120 7.914 7.914 7.275 0.639 17614 12238 1 11 . 1 1 109 109 LEU N N 121 118.960 118.960 120.766 -1.806 17614 12239 1 11 . 1 1 109 109 LEU C C 121 177.152 177.152 178.382 -1.230 17614 12240 1 11 . 1 1 109 109 LEU CA C 121 55.495 55.495 58.175 -2.680 17614 12241 1 11 . 1 1 109 109 LEU CB C 121 42.238 42.238 41.588 0.650 17614 12242 1 11 . 1 1 109 109 LEU H H 121 7.718 7.718 8.079 -0.361 17614 12243 1 11 . 1 1 110 110 ALA N N 122 123.063 123.063 121.526 1.537 17614 12244 1 11 . 1 1 110 110 ALA C C 122 178.317 178.317 180.058 -1.741 17614 12245 1 11 . 1 1 110 110 ALA CA C 122 53.358 53.358 55.454 -2.096 17614 12246 1 11 . 1 1 110 110 ALA CB C 122 19.218 19.218 18.316 0.902 17614 12247 1 11 . 1 1 110 110 ALA H H 122 7.745 7.745 8.612 -0.867 17614 12248 1 11 . 1 1 111 111 GLY N N 123 107.843 107.843 107.070 0.773 17614 12249 1 11 . 1 1 111 111 GLY C C 123 176.912 176.912 176.413 0.499 17614 12250 1 11 . 1 1 111 111 GLY CA C 123 45.943 45.943 47.207 -1.264 17614 12251 1 11 . 1 1 111 111 GLY H H 123 8.113 8.113 8.813 -0.700 17614 12252 1 11 . 1 1 112 112 SER N N 124 116.105 116.105 117.053 -0.948 17614 12253 1 11 . 1 1 112 112 SER C C 124 175.574 175.574 176.886 -1.312 17614 12254 1 11 . 1 1 112 112 SER CA C 124 59.145 59.145 61.487 -2.342 17614 12255 1 11 . 1 1 112 112 SER CB C 124 64.211 64.211 62.995 1.216 17614 12256 1 11 . 1 1 112 112 SER H H 124 8.109 8.109 8.433 -0.324 17614 12257 1 11 . 1 1 113 113 THR N N 125 116.069 116.069 119.060 -2.991 17614 12258 1 11 . 1 1 113 113 THR C C 125 176.055 176.055 176.820 -0.765 17614 12259 1 11 . 1 1 113 113 THR CA C 125 66.921 66.921 66.847 0.075 17614 12260 1 11 . 1 1 113 113 THR CB C 125 69.682 69.682 68.756 0.926 17614 12261 1 11 . 1 1 113 113 THR H H 125 8.086 8.086 8.317 -0.231 17614 12262 1 11 . 1 1 114 114 THR N N 126 115.439 115.439 118.916 -3.477 17614 12263 1 11 . 1 1 114 114 THR C C 126 177.443 177.443 176.719 0.724 17614 12264 1 11 . 1 1 114 114 THR CA C 126 65.285 65.285 67.243 -1.958 17614 12265 1 11 . 1 1 114 114 THR CB C 126 68.364 68.364 68.168 0.196 17614 12266 1 11 . 1 1 114 114 THR H H 126 7.977 7.977 8.510 -0.533 17614 12267 1 11 . 1 1 115 115 GLY N N 127 115.453 115.453 108.736 6.717 17614 12268 1 11 . 1 1 115 115 GLY C C 127 174.215 174.215 175.055 -0.840 17614 12269 1 11 . 1 1 115 115 GLY CA C 127 46.117 46.117 46.831 -0.714 17614 12270 1 11 . 1 1 115 115 GLY H H 127 8.168 8.168 8.171 -0.003 17614 12271 1 11 . 1 1 116 116 ALA N N 128 123.952 123.952 124.481 -0.529 17614 12272 1 11 . 1 1 116 116 ALA C C 128 178.162 178.162 179.420 -1.258 17614 12273 1 11 . 1 1 116 116 ALA CA C 128 53.349 53.349 54.775 -1.426 17614 12274 1 11 . 1 1 116 116 ALA CB C 128 19.099 19.099 18.530 0.569 17614 12275 1 11 . 1 1 116 116 ALA H H 128 7.919 7.919 7.447 0.472 17614 12276 1 11 . 1 1 117 117 LEU N N 129 120.025 120.025 118.567 1.458 17614 12277 1 11 . 1 1 117 117 LEU C C 129 177.949 177.949 179.136 -1.187 17614 12278 1 11 . 1 1 117 117 LEU CA C 129 56.019 56.019 57.487 -1.468 17614 12279 1 11 . 1 1 117 117 LEU CB C 129 42.340 42.340 41.073 1.267 17614 12280 1 11 . 1 1 117 117 LEU H H 129 7.936 7.936 7.578 0.358 17614 12281 1 11 . 1 1 118 118 ALA N N 130 123.402 123.402 121.320 2.082 17614 12282 1 11 . 1 1 118 118 ALA C C 130 177.929 177.929 179.487 -1.558 17614 12283 1 11 . 1 1 118 118 ALA CA C 130 53.283 53.283 55.245 -1.962 17614 12284 1 11 . 1 1 118 118 ALA CB C 130 18.964 18.964 18.416 0.548 17614 12285 1 11 . 1 1 118 118 ALA H H 130 7.868 7.868 8.077 -0.209 17614 12286 1 11 . 1 1 119 119 VAL N N 131 118.111 118.111 115.811 2.300 17614 12287 1 11 . 1 1 119 119 VAL C C 131 176.025 176.025 177.558 -1.533 17614 12288 1 11 . 1 1 119 119 VAL CA C 131 63.180 63.180 64.792 -1.612 17614 12289 1 11 . 1 1 119 119 VAL CB C 131 32.898 32.898 30.932 1.966 17614 12290 1 11 . 1 1 119 119 VAL H H 131 7.636 7.636 7.894 -0.258 17614 12291 1 11 . 1 1 120 120 ALA N N 132 124.047 124.047 122.632 1.415 17614 12292 1 11 . 1 1 120 120 ALA C C 132 179.008 179.008 178.717 0.291 17614 12293 1 11 . 1 1 120 120 ALA CA C 132 53.707 53.707 54.593 -0.886 17614 12294 1 11 . 1 1 120 120 ALA CB C 132 19.150 19.150 18.630 0.520 17614 12295 1 11 . 1 1 120 120 ALA H H 132 7.911 7.911 7.617 0.294 17614 12296 1 11 . 1 1 121 121 VAL N N 133 113.349 113.349 119.061 -5.712 17614 12297 1 11 . 1 1 121 121 VAL C C 133 175.527 175.527 176.008 -0.481 17614 12298 1 11 . 1 1 121 121 VAL CA C 133 64.115 64.115 63.247 0.868 17614 12299 1 11 . 1 1 121 121 VAL CB C 133 31.832 31.832 32.817 -0.985 17614 12300 1 11 . 1 1 121 121 VAL H H 133 7.094 7.094 7.454 -0.360 17614 12301 1 11 . 1 1 122 122 ALA N N 134 123.224 123.224 120.476 2.748 17614 12302 1 11 . 1 1 122 122 ALA CA C 134 55.493 55.493 51.924 3.569 17614 12303 1 11 . 1 1 122 122 ALA H H 134 7.586 7.586 7.540 0.046 17614 12304 1 11 . 1 1 124 124 PRO C C 136 177.074 177.074 178.462 -1.388 17614 12305 1 11 . 1 1 125 125 THR N N 137 113.281 113.281 111.943 1.338 17614 12306 1 11 . 1 1 125 125 THR C C 137 174.485 174.485 176.208 -1.723 17614 12307 1 11 . 1 1 125 125 THR CA C 137 64.496 64.496 67.090 -2.594 17614 12308 1 11 . 1 1 125 125 THR CB C 137 69.997 69.997 68.049 1.948 17614 12309 1 11 . 1 1 125 125 THR H H 137 7.963 7.963 8.022 -0.059 17614 12310 1 11 . 1 1 126 126 ASP N N 138 122.770 122.770 121.323 1.447 17614 12311 1 11 . 1 1 126 126 ASP C C 138 178.458 178.458 178.608 -0.150 17614 12312 1 11 . 1 1 126 126 ASP CA C 138 56.776 56.776 57.207 -0.431 17614 12313 1 11 . 1 1 126 126 ASP CB C 138 41.023 41.023 40.316 0.707 17614 12314 1 11 . 1 1 126 126 ASP H H 138 8.094 8.094 7.748 0.346 17614 12315 1 11 . 1 1 127 127 VAL N N 139 119.931 119.931 117.466 2.465 17614 12316 1 11 . 1 1 127 127 VAL C C 139 177.502 177.502 178.309 -0.807 17614 12317 1 11 . 1 1 127 127 VAL CA C 139 66.455 66.455 66.133 0.322 17614 12318 1 11 . 1 1 127 127 VAL CB C 139 32.804 32.804 31.128 1.676 17614 12319 1 11 . 1 1 127 127 VAL H H 139 7.753 7.753 7.848 -0.095 17614 12320 1 11 . 1 1 128 128 VAL N N 140 120.539 120.539 121.532 -0.993 17614 12321 1 11 . 1 1 128 128 VAL C C 140 176.232 176.232 177.265 -1.033 17614 12322 1 11 . 1 1 128 128 VAL CA C 140 66.770 66.770 66.255 0.515 17614 12323 1 11 . 1 1 128 128 VAL CB C 140 32.086 32.086 31.459 0.627 17614 12324 1 11 . 1 1 128 128 VAL H H 140 8.295 8.295 8.013 0.282 17614 12325 1 11 . 1 1 129 129 LYS N N 141 120.122 120.122 119.949 0.173 17614 12326 1 11 . 1 1 129 129 LYS C C 141 176.120 176.120 178.732 -2.612 17614 12327 1 11 . 1 1 129 129 LYS CA C 141 55.991 55.991 59.931 -3.940 17614 12328 1 11 . 1 1 129 129 LYS CB C 141 31.712 31.712 32.264 -0.552 17614 12329 1 11 . 1 1 129 129 LYS H H 141 7.698 7.698 7.549 0.149 17614 12330 1 11 . 1 1 130 130 VAL N N 142 120.104 120.104 119.314 0.790 17614 12331 1 11 . 1 1 130 130 VAL CA C 142 63.230 63.230 65.569 -2.339 17614 12332 1 11 . 1 1 130 130 VAL H H 142 7.772 7.772 7.494 0.278 17614 12333 1 11 . 1 1 131 131 ARG C C 143 178.401 178.401 178.842 -0.441 17614 12334 1 11 . 1 1 131 131 ARG H H 143 7.999 7.999 7.626 0.373 17614 12335 1 11 . 1 1 132 132 PHE N N 144 120.445 120.445 120.230 0.215 17614 12336 1 11 . 1 1 132 132 PHE C C 144 177.856 177.856 176.337 1.519 17614 12337 1 11 . 1 1 132 132 PHE CA C 144 61.438 61.438 60.950 0.488 17614 12338 1 11 . 1 1 132 132 PHE H H 144 8.395 8.395 8.507 -0.112 17614 12339 1 11 . 1 1 133 133 GLN N N 145 124.180 124.180 116.743 7.437 17614 12340 1 11 . 1 1 133 133 GLN C C 145 174.844 174.844 177.610 -2.766 17614 12341 1 11 . 1 1 133 133 GLN CA C 145 56.414 56.414 58.030 -1.616 17614 12342 1 11 . 1 1 133 133 GLN CB C 145 30.721 30.721 29.254 1.467 17614 12343 1 11 . 1 1 133 133 GLN H H 145 8.094 8.094 7.773 0.321 17614 12344 1 11 . 1 1 134 134 ALA N N 146 120.452 120.452 120.426 0.026 17614 12345 1 11 . 1 1 134 134 ALA C C 146 177.929 177.929 178.213 -0.284 17614 12346 1 11 . 1 1 134 134 ALA CA C 146 53.483 53.483 53.259 0.224 17614 12347 1 11 . 1 1 134 134 ALA CB C 146 18.431 18.431 18.811 -0.380 17614 12348 1 11 . 1 1 134 134 ALA H H 146 7.939 7.939 7.418 0.521 17614 12349 1 11 . 1 1 135 135 GLN N N 147 119.388 119.388 119.614 -0.226 17614 12350 1 11 . 1 1 135 135 GLN C C 147 176.029 176.029 175.200 0.829 17614 12351 1 11 . 1 1 135 135 GLN CA C 147 56.339 56.339 56.511 -0.173 17614 12352 1 11 . 1 1 135 135 GLN CB C 147 29.444 29.444 28.197 1.247 17614 12353 1 11 . 1 1 135 135 GLN H H 147 8.072 8.072 7.570 0.502 17614 12354 1 11 . 1 1 136 136 ALA N N 148 125.199 125.199 129.288 -4.089 17614 12355 1 11 . 1 1 136 136 ALA C C 148 177.766 177.766 177.566 0.200 17614 12356 1 11 . 1 1 136 136 ALA CA C 148 53.108 53.108 53.330 -0.222 17614 12357 1 11 . 1 1 136 136 ALA CB C 148 19.151 19.151 19.668 -0.517 17614 12358 1 11 . 1 1 136 136 ALA H H 148 8.055 8.055 8.296 -0.241 17614 12359 1 11 . 1 1 137 137 ARG N N 149 120.208 120.208 117.191 3.017 17614 12360 1 11 . 1 1 137 137 ARG CA C 149 56.414 56.414 54.788 1.627 17614 12361 1 11 . 1 1 137 137 ARG CB C 149 30.749 30.749 30.300 0.449 17614 12362 1 11 . 1 1 137 137 ARG H H 149 8.018 8.018 7.960 0.058 17614 12363 1 11 . 1 1 147 147 THR C C 159 175.928 175.928 176.717 -0.789 17614 12364 1 11 . 1 1 148 148 VAL N N 160 118.321 118.321 118.212 0.109 17614 12365 1 11 . 1 1 148 148 VAL C C 160 177.749 177.749 177.722 0.027 17614 12366 1 11 . 1 1 148 148 VAL CA C 160 64.126 64.126 65.538 -1.412 17614 12367 1 11 . 1 1 148 148 VAL CB C 160 31.343 31.343 31.238 0.105 17614 12368 1 11 . 1 1 148 148 VAL H H 160 8.073 8.073 7.916 0.157 17614 12369 1 11 . 1 1 149 149 GLU N N 161 122.379 122.379 120.764 1.615 17614 12370 1 11 . 1 1 149 149 GLU C C 161 178.783 178.783 178.527 0.256 17614 12371 1 11 . 1 1 149 149 GLU CA C 161 59.550 59.550 59.373 0.177 17614 12372 1 11 . 1 1 149 149 GLU CB C 161 29.597 29.597 29.527 0.070 17614 12373 1 11 . 1 1 149 149 GLU H H 161 8.204 8.204 8.621 -0.417 17614 12374 1 11 . 1 1 150 150 ALA N N 162 122.845 122.845 123.202 -0.357 17614 12375 1 11 . 1 1 150 150 ALA C C 162 179.948 179.948 179.463 0.485 17614 12376 1 11 . 1 1 150 150 ALA CA C 162 55.181 55.181 55.057 0.124 17614 12377 1 11 . 1 1 150 150 ALA CB C 162 18.154 18.154 18.584 -0.430 17614 12378 1 11 . 1 1 150 150 ALA H H 162 7.786 7.786 8.641 -0.855 17614 12379 1 11 . 1 1 151 151 TYR N N 163 118.902 118.902 120.015 -1.113 17614 12380 1 11 . 1 1 151 151 TYR C C 163 177.273 177.273 177.732 -0.459 17614 12381 1 11 . 1 1 151 151 TYR CA C 163 61.068 61.068 61.795 -0.727 17614 12382 1 11 . 1 1 151 151 TYR CB C 163 37.898 37.898 38.749 -0.851 17614 12383 1 11 . 1 1 151 151 TYR H H 163 7.922 7.922 8.096 -0.174 17614 12384 1 11 . 1 1 152 152 LYS N N 164 119.939 119.939 118.817 1.122 17614 12385 1 11 . 1 1 152 152 LYS C C 164 178.239 178.239 178.908 -0.669 17614 12386 1 11 . 1 1 152 152 LYS CA C 164 60.309 60.309 59.430 0.879 17614 12387 1 11 . 1 1 152 152 LYS CB C 164 32.504 32.504 32.575 -0.071 17614 12388 1 11 . 1 1 152 152 LYS H H 164 8.223 8.223 7.689 0.534 17614 12389 1 11 . 1 1 153 153 THR N N 165 115.262 115.262 114.576 0.686 17614 12390 1 11 . 1 1 153 153 THR C C 165 175.676 175.676 176.701 -1.025 17614 12391 1 11 . 1 1 153 153 THR CA C 165 66.516 66.516 66.554 -0.038 17614 12392 1 11 . 1 1 153 153 THR CB C 165 69.367 69.367 68.850 0.517 17614 12393 1 11 . 1 1 153 153 THR H H 165 7.745 7.745 7.983 -0.238 17614 12394 1 11 . 1 1 154 154 ILE N N 166 121.571 121.571 118.604 2.967 17614 12395 1 11 . 1 1 154 154 ILE C C 166 177.307 177.307 177.306 0.001 17614 12396 1 11 . 1 1 154 154 ILE CA C 166 64.634 64.634 64.048 0.586 17614 12397 1 11 . 1 1 154 154 ILE CB C 166 38.896 38.896 36.708 2.188 17614 12398 1 11 . 1 1 154 154 ILE H H 166 7.540 7.540 7.388 0.152 17614 12399 1 11 . 1 1 155 155 ALA N N 167 121.983 121.983 123.592 -1.609 17614 12400 1 11 . 1 1 155 155 ALA C C 167 178.395 178.395 180.180 -1.785 17614 12401 1 11 . 1 1 155 155 ALA CA C 167 54.656 54.656 54.696 -0.040 17614 12402 1 11 . 1 1 155 155 ALA CB C 167 18.486 18.486 18.029 0.457 17614 12403 1 11 . 1 1 155 155 ALA H H 167 8.059 8.059 7.631 0.428 17614 12404 1 11 . 1 1 156 156 ARG N N 168 116.369 116.369 118.444 -2.075 17614 12405 1 11 . 1 1 156 156 ARG C C 168 177.307 177.307 178.491 -1.184 17614 12406 1 11 . 1 1 156 156 ARG CA C 168 58.486 58.486 58.830 -0.344 17614 12407 1 11 . 1 1 156 156 ARG CB C 168 30.930 30.930 29.911 1.019 17614 12408 1 11 . 1 1 156 156 ARG H H 168 7.690 7.690 7.825 -0.135 17614 12409 1 11 . 1 1 157 157 GLU N N 169 118.667 118.667 118.134 0.533 17614 12410 1 11 . 1 1 157 157 GLU C C 169 177.696 177.696 178.431 -0.735 17614 12411 1 11 . 1 1 157 157 GLU CA C 169 58.212 58.212 58.309 -0.096 17614 12412 1 11 . 1 1 157 157 GLU CB C 169 30.357 30.357 30.083 0.274 17614 12413 1 11 . 1 1 157 157 GLU H H 169 8.045 8.045 7.718 0.327 17614 12414 1 11 . 1 1 158 158 GLU N N 170 118.202 118.202 117.273 0.929 17614 12415 1 11 . 1 1 158 158 GLU C C 170 177.878 177.878 176.876 1.002 17614 12416 1 11 . 1 1 158 158 GLU CA C 170 57.363 57.363 56.755 0.607 17614 12417 1 11 . 1 1 158 158 GLU CB C 170 31.277 31.277 30.678 0.599 17614 12418 1 11 . 1 1 158 158 GLU H H 170 8.550 8.550 8.304 0.246 17614 12419 1 11 . 1 1 159 159 GLY N N 171 108.941 108.941 107.602 1.339 17614 12420 1 11 . 1 1 159 159 GLY C C 171 174.433 174.433 174.411 0.022 17614 12421 1 11 . 1 1 159 159 GLY CA C 171 45.193 45.193 44.437 0.756 17614 12422 1 11 . 1 1 159 159 GLY H H 171 7.881 7.881 7.607 0.274 17614 12423 1 11 . 1 1 160 160 ILE N N 172 120.842 120.842 121.165 -0.323 17614 12424 1 11 . 1 1 160 160 ILE C C 172 176.997 176.997 176.868 0.129 17614 12425 1 11 . 1 1 160 160 ILE CA C 172 63.810 63.810 63.200 0.610 17614 12426 1 11 . 1 1 160 160 ILE CB C 172 38.516 38.516 37.923 0.593 17614 12427 1 11 . 1 1 160 160 ILE H H 172 8.550 8.550 8.243 0.307 17614 12428 1 11 . 1 1 161 161 ARG N N 173 119.480 119.480 119.777 -0.297 17614 12429 1 11 . 1 1 161 161 ARG C C 173 178.084 178.084 178.430 -0.346 17614 12430 1 11 . 1 1 161 161 ARG CA C 173 58.711 58.711 58.646 0.065 17614 12431 1 11 . 1 1 161 161 ARG CB C 173 29.796 29.796 29.183 0.613 17614 12432 1 11 . 1 1 161 161 ARG H H 173 8.277 8.277 8.327 -0.050 17614 12433 1 11 . 1 1 162 162 GLY N N 174 106.379 106.379 106.390 -0.011 17614 12434 1 11 . 1 1 162 162 GLY C C 174 175.210 175.210 176.442 -1.232 17614 12435 1 11 . 1 1 162 162 GLY CA C 174 46.767 46.767 46.730 0.037 17614 12436 1 11 . 1 1 162 162 GLY H H 174 7.690 7.690 7.891 -0.201 17614 12437 1 11 . 1 1 163 163 LEU N N 175 120.664 120.664 121.261 -0.597 17614 12438 1 11 . 1 1 163 163 LEU C C 175 177.971 177.971 178.959 -0.988 17614 12439 1 11 . 1 1 163 163 LEU CA C 175 57.104 57.104 57.386 -0.282 17614 12440 1 11 . 1 1 163 163 LEU CB C 175 42.559 42.559 41.451 1.108 17614 12441 1 11 . 1 1 163 163 LEU H H 175 7.554 7.554 7.394 0.160 17614 12442 1 11 . 1 1 164 164 TRP N N 176 117.031 117.031 116.921 0.110 17614 12443 1 11 . 1 1 164 164 TRP C C 176 176.987 176.987 178.080 -1.093 17614 12444 1 11 . 1 1 164 164 TRP CA C 176 57.672 57.672 56.593 1.079 17614 12445 1 11 . 1 1 164 164 TRP CB C 176 29.796 29.796 27.679 2.117 17614 12446 1 11 . 1 1 164 164 TRP H H 176 7.499 7.499 7.942 -0.443 17614 12447 1 11 . 1 1 165 165 LYS N N 177 120.567 120.567 119.438 1.129 17614 12448 1 11 . 1 1 165 165 LYS C C 177 177.152 177.152 177.517 -0.365 17614 12449 1 11 . 1 1 165 165 LYS CA C 177 57.712 57.712 59.829 -2.117 17614 12450 1 11 . 1 1 165 165 LYS CB C 177 32.890 32.890 32.084 0.806 17614 12451 1 11 . 1 1 165 165 LYS H H 177 7.595 7.595 7.360 0.235 17614 12452 1 11 . 1 1 166 166 GLY N N 178 108.667 108.667 103.662 5.005 17614 12453 1 11 . 1 1 166 166 GLY C C 178 174.045 174.045 175.441 -1.396 17614 12454 1 11 . 1 1 166 166 GLY CA C 178 45.893 45.893 45.384 0.509 17614 12455 1 11 . 1 1 166 166 GLY H H 178 7.881 7.881 7.874 0.007 17614 12456 1 11 . 1 1 167 167 THR N N 179 115.080 115.080 119.734 -4.654 17614 12457 1 11 . 1 1 167 167 THR C C 179 175.192 175.192 176.671 -1.479 17614 12458 1 11 . 1 1 167 167 THR CA C 179 66.521 66.521 66.954 -0.433 17614 12459 1 11 . 1 1 167 167 THR CB C 179 70.079 70.079 68.438 1.641 17614 12460 1 11 . 1 1 167 167 THR H H 179 7.622 7.622 7.782 -0.160 17614 12461 1 11 . 1 1 168 168 SER N N 180 117.754 117.754 116.109 1.645 17614 12462 1 11 . 1 1 168 168 SER CA C 180 63.123 63.123 63.427 -0.304 17614 12463 1 11 . 1 1 168 168 SER CB C 180 62.045 62.045 61.909 0.136 17614 12464 1 11 . 1 1 168 168 SER H H 180 8.195 8.195 7.684 0.511 17614 12465 1 11 . 1 1 170 170 ASN C C 182 177.348 177.348 177.777 -0.429 17614 12466 1 11 . 1 1 171 171 VAL N N 183 118.118 118.118 119.595 -1.477 17614 12467 1 11 . 1 1 171 171 VAL C C 183 176.944 176.944 177.645 -0.701 17614 12468 1 11 . 1 1 171 171 VAL CA C 183 65.244 65.244 66.449 -1.205 17614 12469 1 11 . 1 1 171 171 VAL CB C 183 32.508 32.508 31.150 1.358 17614 12470 1 11 . 1 1 171 171 VAL H H 183 7.861 7.861 7.637 0.224 17614 12471 1 11 . 1 1 172 172 ALA N N 184 122.284 122.284 121.727 0.557 17614 12472 1 11 . 1 1 172 172 ALA C C 184 178.317 178.317 179.335 -1.018 17614 12473 1 11 . 1 1 172 172 ALA CA C 184 55.339 55.339 55.190 0.149 17614 12474 1 11 . 1 1 172 172 ALA CB C 184 28.230 28.230 18.243 9.987 17614 12475 1 11 . 1 1 172 172 ALA H H 184 8.097 8.097 7.566 0.531 17614 12476 1 11 . 1 1 173 173 ARG N N 185 117.321 117.321 119.470 -2.149 17614 12477 1 11 . 1 1 173 173 ARG C C 185 177.527 177.527 178.185 -0.658 17614 12478 1 11 . 1 1 173 173 ARG CA C 185 59.543 59.543 59.584 -0.041 17614 12479 1 11 . 1 1 173 173 ARG CB C 185 29.767 29.767 30.115 -0.348 17614 12480 1 11 . 1 1 173 173 ARG H H 185 7.611 7.611 7.968 -0.357 17614 12481 1 11 . 1 1 174 174 ASN N N 186 117.294 117.294 117.788 -0.494 17614 12482 1 11 . 1 1 174 174 ASN C C 186 176.599 176.599 177.292 -0.693 17614 12483 1 11 . 1 1 174 174 ASN CA C 186 56.659 56.659 56.291 0.368 17614 12484 1 11 . 1 1 174 174 ASN CB C 186 39.454 39.454 38.426 1.028 17614 12485 1 11 . 1 1 174 174 ASN H H 186 8.048 8.048 7.774 0.274 17614 12486 1 11 . 1 1 175 175 ALA N N 187 121.003 121.003 122.901 -1.898 17614 12487 1 11 . 1 1 175 175 ALA C C 187 178.713 178.713 179.745 -1.032 17614 12488 1 11 . 1 1 175 175 ALA CA C 187 55.520 55.520 55.004 0.516 17614 12489 1 11 . 1 1 175 175 ALA CB C 187 18.097 18.097 18.624 -0.527 17614 12490 1 11 . 1 1 175 175 ALA H H 187 7.322 7.322 7.559 -0.237 17614 12491 1 11 . 1 1 176 176 ILE N N 188 119.319 119.319 119.122 0.197 17614 12492 1 11 . 1 1 176 176 ILE C C 188 176.634 176.634 177.984 -1.350 17614 12493 1 11 . 1 1 176 176 ILE CA C 188 64.225 64.225 63.697 0.528 17614 12494 1 11 . 1 1 176 176 ILE CB C 188 37.658 37.658 36.846 0.812 17614 12495 1 11 . 1 1 176 176 ILE H H 188 7.779 7.779 8.029 -0.250 17614 12496 1 11 . 1 1 177 177 VAL N N 189 117.265 117.265 121.128 -3.863 17614 12497 1 11 . 1 1 177 177 VAL C C 189 177.529 177.529 176.972 0.557 17614 12498 1 11 . 1 1 177 177 VAL CA C 189 65.562 65.562 67.085 -1.523 17614 12499 1 11 . 1 1 177 177 VAL CB C 189 31.407 31.407 31.953 -0.546 17614 12500 1 11 . 1 1 177 177 VAL H H 189 7.776 7.776 8.094 -0.318 17614 12501 1 11 . 1 1 178 178 ASN N N 190 118.736 118.736 118.239 0.497 17614 12502 1 11 . 1 1 178 178 ASN C C 190 176.476 176.476 177.348 -0.872 17614 12503 1 11 . 1 1 178 178 ASN CA C 190 56.813 56.813 55.759 1.054 17614 12504 1 11 . 1 1 178 178 ASN CB C 190 38.268 38.268 37.243 1.025 17614 12505 1 11 . 1 1 178 178 ASN H H 190 7.800 7.800 7.804 -0.004 17614 12506 1 11 . 1 1 179 179 CYS N N 191 120.152 120.152 119.532 0.620 17614 12507 1 11 . 1 1 179 179 CYS C C 191 175.831 175.831 176.916 -1.085 17614 12508 1 11 . 1 1 179 179 CYS CA C 191 60.293 60.293 64.608 -4.315 17614 12509 1 11 . 1 1 179 179 CYS CB C 191 41.566 41.566 26.946 14.620 17614 12510 1 11 . 1 1 179 179 CYS H H 191 7.784 7.784 7.886 -0.102 17614 12511 1 11 . 1 1 180 180 ALA N N 192 121.963 121.963 121.894 0.069 17614 12512 1 11 . 1 1 180 180 ALA C C 192 178.395 178.395 179.026 -0.631 17614 12513 1 11 . 1 1 180 180 ALA CA C 192 55.280 55.280 55.132 0.148 17614 12514 1 11 . 1 1 180 180 ALA CB C 192 18.008 18.008 17.957 0.051 17614 12515 1 11 . 1 1 180 180 ALA H H 192 8.141 8.141 8.654 -0.513 17614 12516 1 11 . 1 1 181 181 GLU N N 193 114.548 114.548 119.861 -5.313 17614 12517 1 11 . 1 1 181 181 GLU C C 193 176.764 176.764 178.889 -2.125 17614 12518 1 11 . 1 1 181 181 GLU CA C 193 58.262 58.262 59.399 -1.137 17614 12519 1 11 . 1 1 181 181 GLU CB C 193 29.342 29.342 29.520 -0.178 17614 12520 1 11 . 1 1 181 181 GLU H H 193 7.595 7.595 8.265 -0.670 17614 12521 1 11 . 1 1 182 182 LEU N N 194 117.659 117.659 118.176 -0.517 17614 12522 1 11 . 1 1 182 182 LEU C C 194 176.904 176.904 179.275 -2.371 17614 12523 1 11 . 1 1 182 182 LEU CA C 194 55.695 55.695 57.730 -2.035 17614 12524 1 11 . 1 1 182 182 LEU CB C 194 41.655 41.655 41.747 -0.092 17614 12525 1 11 . 1 1 182 182 LEU H H 194 7.459 7.459 8.142 -0.683 17614 12526 1 11 . 1 1 183 183 VAL N N 195 117.842 117.842 116.174 1.668 17614 12527 1 11 . 1 1 183 183 VAL C C 195 177.150 177.150 177.933 -0.783 17614 12528 1 11 . 1 1 183 183 VAL CA C 195 64.054 64.054 65.810 -1.756 17614 12529 1 11 . 1 1 183 183 VAL CB C 195 31.079 31.079 30.791 0.288 17614 12530 1 11 . 1 1 183 183 VAL H H 195 7.363 7.363 7.335 0.028 17614 12531 1 11 . 1 1 184 184 THR N N 196 122.439 122.439 117.389 5.050 17614 12532 1 11 . 1 1 184 184 THR C C 196 175.055 175.055 176.553 -1.498 17614 12533 1 11 . 1 1 184 184 THR CA C 196 65.500 65.500 66.822 -1.322 17614 12534 1 11 . 1 1 184 184 THR CB C 196 69.490 69.490 68.671 0.819 17614 12535 1 11 . 1 1 184 184 THR H H 196 7.940 7.940 7.866 0.074 17614 12536 1 11 . 1 1 185 185 TYR N N 197 122.430 122.430 122.329 0.101 17614 12537 1 11 . 1 1 185 185 TYR C C 197 177.152 177.152 176.997 0.155 17614 12538 1 11 . 1 1 185 185 TYR CA C 197 61.892 61.892 61.909 -0.017 17614 12539 1 11 . 1 1 185 185 TYR CB C 197 38.085 38.085 38.407 -0.323 17614 12540 1 11 . 1 1 185 185 TYR H H 197 9.123 9.123 8.770 0.353 17614 12541 1 11 . 1 1 186 186 ASP N N 198 117.750 117.750 118.914 -1.164 17614 12542 1 11 . 1 1 186 186 ASP C C 198 177.696 177.696 178.288 -0.592 17614 12543 1 11 . 1 1 186 186 ASP CA C 198 57.822 57.822 58.335 -0.513 17614 12544 1 11 . 1 1 186 186 ASP CB C 198 40.500 40.500 40.417 0.083 17614 12545 1 11 . 1 1 186 186 ASP H H 198 8.263 8.263 7.885 0.378 17614 12546 1 11 . 1 1 187 187 LEU N N 199 120.698 120.698 119.025 1.673 17614 12547 1 11 . 1 1 187 187 LEU C C 199 180.104 180.104 178.915 1.189 17614 12548 1 11 . 1 1 187 187 LEU CA C 199 58.092 58.092 57.427 0.665 17614 12549 1 11 . 1 1 187 187 LEU CB C 199 42.559 42.559 41.023 1.536 17614 12550 1 11 . 1 1 187 187 LEU H H 199 7.636 7.636 7.433 0.203 17614 12551 1 11 . 1 1 188 188 ILE N N 200 121.136 121.136 118.779 2.357 17614 12552 1 11 . 1 1 188 188 ILE C C 200 176.919 176.919 177.571 -0.652 17614 12553 1 11 . 1 1 188 188 ILE CA C 200 65.482 65.482 63.279 2.203 17614 12554 1 11 . 1 1 188 188 ILE CB C 200 37.949 37.949 36.516 1.433 17614 12555 1 11 . 1 1 188 188 ILE H H 200 7.718 7.718 7.259 0.459 17614 12556 1 11 . 1 1 189 189 LYS N N 201 120.587 120.587 118.243 2.344 17614 12557 1 11 . 1 1 189 189 LYS C C 201 177.696 177.696 178.933 -1.237 17614 12558 1 11 . 1 1 189 189 LYS CA C 201 60.683 60.683 59.180 1.503 17614 12559 1 11 . 1 1 189 189 LYS CB C 201 31.809 31.809 32.341 -0.532 17614 12560 1 11 . 1 1 189 189 LYS H H 201 8.291 8.291 7.650 0.641 17614 12561 1 11 . 1 1 190 190 ASP N N 202 117.936 117.936 116.876 1.060 17614 12562 1 11 . 1 1 190 190 ASP C C 202 178.395 178.395 177.008 1.387 17614 12563 1 11 . 1 1 190 190 ASP CA C 202 57.672 57.672 56.092 1.580 17614 12564 1 11 . 1 1 190 190 ASP CB C 202 41.355 41.355 41.089 0.266 17614 12565 1 11 . 1 1 190 190 ASP H H 202 8.182 8.182 7.814 0.368 17614 12566 1 11 . 1 1 191 191 THR N N 203 115.914 115.914 115.575 0.339 17614 12567 1 11 . 1 1 191 191 THR CA C 203 61.190 61.190 62.289 -1.099 17614 12568 1 11 . 1 1 191 191 THR CB C 203 68.738 68.738 69.602 -0.864 17614 12569 1 11 . 1 1 191 191 THR H H 203 7.690 7.690 7.683 0.007 17614 12570 1 11 . 1 1 192 192 LEU C C 204 176.047 176.047 175.403 0.644 17614 12571 1 11 . 1 1 192 192 LEU H H 204 8.051 8.051 8.863 -0.812 17614 12572 1 11 . 1 1 193 193 LEU N N 205 118.768 118.768 118.015 0.753 17614 12573 1 11 . 1 1 193 193 LEU C C 205 179.871 179.871 177.386 2.485 17614 12574 1 11 . 1 1 193 193 LEU CA C 205 55.867 55.867 54.460 1.407 17614 12575 1 11 . 1 1 193 193 LEU CB C 205 41.887 41.887 41.115 0.771 17614 12576 1 11 . 1 1 193 193 LEU H H 205 7.977 7.977 7.825 0.152 17614 12577 1 11 . 1 1 194 194 LYS N N 206 119.775 119.775 118.996 0.779 17614 12578 1 11 . 1 1 194 194 LYS C C 206 177.318 177.318 176.527 0.791 17614 12579 1 11 . 1 1 194 194 LYS CA C 206 58.461 58.461 58.023 0.438 17614 12580 1 11 . 1 1 194 194 LYS CB C 206 32.734 32.734 32.597 0.137 17614 12581 1 11 . 1 1 194 194 LYS H H 206 7.677 7.677 7.989 -0.312 17614 12582 1 11 . 1 1 195 195 ALA N N 207 120.757 120.757 120.304 0.453 17614 12583 1 11 . 1 1 195 195 ALA C C 207 176.531 176.531 176.181 0.350 17614 12584 1 11 . 1 1 195 195 ALA CA C 207 53.083 53.083 51.786 1.297 17614 12585 1 11 . 1 1 195 195 ALA CB C 207 18.960 18.960 18.765 0.195 17614 12586 1 11 . 1 1 195 195 ALA H H 207 7.565 7.565 7.475 0.090 17614 12587 1 11 . 1 1 196 196 ASN N N 208 115.463 115.463 116.054 -0.591 17614 12588 1 11 . 1 1 196 196 ASN C C 208 174.822 174.822 175.934 -1.112 17614 12589 1 11 . 1 1 196 196 ASN CA C 208 54.351 54.351 53.920 0.431 17614 12590 1 11 . 1 1 196 196 ASN CB C 208 38.160 38.160 37.855 0.305 17614 12591 1 11 . 1 1 196 196 ASN H H 208 7.936 7.936 7.998 -0.062 17614 12592 1 11 . 1 1 200 200 ASP C C 212 174.735 174.735 174.344 0.391 17614 12593 1 11 . 1 1 201 201 ASP N N 213 116.363 116.363 118.145 -1.782 17614 12594 1 11 . 1 1 201 201 ASP C C 213 175.553 175.553 177.070 -1.517 17614 12595 1 11 . 1 1 201 201 ASP CA C 213 54.890 54.890 54.455 0.435 17614 12596 1 11 . 1 1 201 201 ASP CB C 213 38.846 38.846 39.544 -0.698 17614 12597 1 11 . 1 1 201 201 ASP H H 213 8.129 8.129 8.304 -0.175 17614 12598 1 11 . 1 1 202 202 LEU N N 214 119.486 119.486 119.760 -0.274 17614 12599 1 11 . 1 1 202 202 LEU CA C 214 59.766 59.766 58.264 1.502 17614 12600 1 11 . 1 1 202 202 LEU CB C 214 39.579 39.579 40.089 -0.510 17614 12601 1 11 . 1 1 202 202 LEU H H 214 7.821 7.821 8.243 -0.422 17614 12602 1 11 . 1 1 203 203 PRO C C 215 177.971 177.971 178.647 -0.676 17614 12603 1 11 . 1 1 203 203 PRO CA C 215 65.938 65.938 65.784 0.154 17614 12604 1 11 . 1 1 203 203 PRO CB C 215 30.006 30.006 30.969 -0.963 17614 12605 1 11 . 1 1 204 204 CYS N N 216 114.211 114.211 114.935 -0.724 17614 12606 1 11 . 1 1 204 204 CYS C C 216 176.142 176.142 177.190 -1.048 17614 12607 1 11 . 1 1 204 204 CYS CA C 216 58.773 58.773 62.752 -3.978 17614 12608 1 11 . 1 1 204 204 CYS CB C 216 40.906 40.906 26.569 14.337 17614 12609 1 11 . 1 1 204 204 CYS H H 216 8.269 8.269 8.587 -0.318 17614 12610 1 11 . 1 1 205 205 HIS N N 217 120.491 120.491 120.340 0.151 17614 12611 1 11 . 1 1 205 205 HIS C C 217 176.747 176.747 177.116 -0.369 17614 12612 1 11 . 1 1 205 205 HIS CA C 217 57.198 57.198 58.874 -1.676 17614 12613 1 11 . 1 1 205 205 HIS CB C 217 29.886 29.886 29.191 0.695 17614 12614 1 11 . 1 1 205 205 HIS H H 217 7.301 7.301 7.637 -0.336 17614 12615 1 11 . 1 1 206 206 PHE N N 218 120.501 120.501 118.302 2.199 17614 12616 1 11 . 1 1 206 206 PHE C C 218 176.187 176.187 177.667 -1.480 17614 12617 1 11 . 1 1 206 206 PHE CA C 218 59.045 59.045 61.901 -2.856 17614 12618 1 11 . 1 1 206 206 PHE CB C 218 38.901 38.901 38.572 0.329 17614 12619 1 11 . 1 1 206 206 PHE H H 218 8.127 8.127 7.867 0.260 17614 12620 1 11 . 1 1 207 207 THR N N 219 112.682 112.682 113.682 -1.000 17614 12621 1 11 . 1 1 207 207 THR C C 219 175.997 175.997 177.045 -1.048 17614 12622 1 11 . 1 1 207 207 THR CA C 219 64.319 64.319 66.177 -1.858 17614 12623 1 11 . 1 1 207 207 THR CB C 219 63.282 63.282 68.728 -5.446 17614 12624 1 11 . 1 1 207 207 THR H H 219 7.977 7.977 7.835 0.142 17614 12625 1 11 . 1 1 208 208 SER N N 220 117.589 117.589 117.098 0.491 17614 12626 1 11 . 1 1 208 208 SER C C 220 175.055 175.055 176.597 -1.542 17614 12627 1 11 . 1 1 208 208 SER CA C 220 61.344 61.344 62.036 -0.692 17614 12628 1 11 . 1 1 208 208 SER CB C 220 63.440 63.440 62.867 0.573 17614 12629 1 11 . 1 1 208 208 SER H H 220 8.004 8.004 7.696 0.308 17614 12630 1 11 . 1 1 209 209 ALA N N 221 123.860 123.860 124.614 -0.754 17614 12631 1 11 . 1 1 209 209 ALA C C 221 177.618 177.618 179.067 -1.449 17614 12632 1 11 . 1 1 209 209 ALA CA C 221 53.932 53.932 54.991 -1.059 17614 12633 1 11 . 1 1 209 209 ALA CB C 221 18.891 18.891 18.246 0.645 17614 12634 1 11 . 1 1 209 209 ALA H H 221 7.704 7.704 7.617 0.087 17614 12635 1 11 . 1 1 210 210 PHE N N 222 116.073 116.073 119.733 -3.660 17614 12636 1 11 . 1 1 210 210 PHE C C 222 176.142 176.142 177.522 -1.380 17614 12637 1 11 . 1 1 210 210 PHE CA C 222 58.271 58.271 61.246 -2.975 17614 12638 1 11 . 1 1 210 210 PHE CB C 222 39.554 39.554 39.126 0.428 17614 12639 1 11 . 1 1 210 210 PHE H H 222 7.718 7.718 8.335 -0.617 17614 12640 1 11 . 1 1 211 211 GLY N N 223 108.578 108.578 106.584 1.994 17614 12641 1 11 . 1 1 211 211 GLY C C 223 173.889 173.889 175.468 -1.579 17614 12642 1 11 . 1 1 211 211 GLY CA C 223 45.993 45.993 47.048 -1.055 17614 12643 1 11 . 1 1 211 211 GLY H H 223 7.909 7.909 8.203 -0.294 17614 12644 1 11 . 1 1 212 212 ALA N N 224 123.322 123.322 125.060 -1.738 17614 12645 1 11 . 1 1 212 212 ALA C C 224 178.550 178.550 179.727 -1.177 17614 12646 1 11 . 1 1 212 212 ALA CA C 224 53.608 53.608 54.531 -0.923 17614 12647 1 11 . 1 1 212 212 ALA CB C 224 19.069 19.069 18.410 0.659 17614 12648 1 11 . 1 1 212 212 ALA H H 224 8.018 8.018 7.973 0.045 17614 12649 1 11 . 1 1 213 213 GLY N N 225 107.935 107.935 107.599 0.336 17614 12650 1 11 . 1 1 213 213 GLY C C 225 175.389 175.389 175.502 -0.113 17614 12651 1 11 . 1 1 213 213 GLY CA C 225 46.967 46.967 46.752 0.215 17614 12652 1 11 . 1 1 213 213 GLY H H 225 8.304 8.304 8.640 -0.336 17614 12653 1 11 . 1 1 214 214 PHE N N 226 122.440 122.440 123.250 -0.810 17614 12654 1 11 . 1 1 214 214 PHE C C 226 176.998 176.998 177.063 -0.065 17614 12655 1 11 . 1 1 214 214 PHE CA C 226 60.673 60.673 59.974 0.699 17614 12656 1 11 . 1 1 214 214 PHE CB C 226 38.319 38.319 39.525 -1.206 17614 12657 1 11 . 1 1 214 214 PHE H H 226 8.045 8.045 8.242 -0.198 17614 12658 1 11 . 1 1 215 215 CYS N N 227 116.562 116.562 118.180 -1.618 17614 12659 1 11 . 1 1 215 215 CYS CA C 227 61.301 61.301 62.031 -0.730 17614 12660 1 11 . 1 1 215 215 CYS CB C 227 41.286 41.286 26.784 14.502 17614 12661 1 11 . 1 1 215 215 CYS H H 227 8.016 8.016 8.084 -0.068 17614 12662 1 11 . 1 1 216 216 THR C C 228 176.437 176.437 176.474 -0.037 17614 12663 1 11 . 1 1 216 216 THR H H 228 8.410 8.410 8.374 0.036 17614 12664 1 11 . 1 1 217 217 THR N N 229 115.234 115.234 116.394 -1.160 17614 12665 1 11 . 1 1 217 217 THR C C 229 176.749 176.749 176.435 0.314 17614 12666 1 11 . 1 1 217 217 THR CA C 229 65.980 65.980 66.406 -0.426 17614 12667 1 11 . 1 1 217 217 THR CB C 229 67.443 67.443 68.327 -0.884 17614 12668 1 11 . 1 1 217 217 THR H H 229 8.188 8.188 8.090 0.098 17614 12669 1 11 . 1 1 218 218 VAL N N 230 120.723 120.723 118.912 1.811 17614 12670 1 11 . 1 1 218 218 VAL C C 230 177.983 177.983 177.022 0.961 17614 12671 1 11 . 1 1 218 218 VAL CA C 230 66.832 66.832 65.220 1.612 17614 12672 1 11 . 1 1 218 218 VAL CB C 230 31.168 31.168 31.236 -0.068 17614 12673 1 11 . 1 1 218 218 VAL H H 230 8.027 8.027 7.161 0.866 17614 12674 1 11 . 1 1 219 219 ILE N N 231 120.541 120.541 119.176 1.365 17614 12675 1 11 . 1 1 219 219 ILE C C 231 177.368 177.368 177.594 -0.226 17614 12676 1 11 . 1 1 219 219 ILE CA C 231 65.575 65.575 63.517 2.058 17614 12677 1 11 . 1 1 219 219 ILE CB C 231 37.722 37.722 37.956 -0.234 17614 12678 1 11 . 1 1 219 219 ILE H H 231 8.458 8.458 7.200 1.258 17614 12679 1 11 . 1 1 220 220 ALA N N 232 122.766 122.766 121.185 1.581 17614 12680 1 11 . 1 1 220 220 ALA C C 232 178.847 178.847 179.826 -0.979 17614 12681 1 11 . 1 1 220 220 ALA CA C 232 55.252 55.252 54.934 0.318 17614 12682 1 11 . 1 1 220 220 ALA CB C 232 17.874 17.874 18.061 -0.187 17614 12683 1 11 . 1 1 220 220 ALA H H 232 8.589 8.589 7.795 0.794 17614 12684 1 11 . 1 1 221 221 SER N N 233 113.387 113.387 114.631 -1.244 17614 12685 1 11 . 1 1 221 221 SER CA C 233 62.348 62.348 63.516 -1.168 17614 12686 1 11 . 1 1 221 221 SER CB C 233 61.630 61.630 61.628 0.002 17614 12687 1 11 . 1 1 221 221 SER H H 233 8.218 8.218 8.275 -0.057 17614 12688 1 11 . 1 1 222 222 PRO C C 234 178.221 178.221 178.366 -0.145 17614 12689 1 11 . 1 1 223 223 VAL N N 235 116.087 116.087 117.572 -1.485 17614 12690 1 11 . 1 1 223 223 VAL C C 235 177.089 177.089 177.871 -0.782 17614 12691 1 11 . 1 1 223 223 VAL CA C 235 65.072 65.072 66.669 -1.597 17614 12692 1 11 . 1 1 223 223 VAL CB C 235 31.084 31.084 31.453 -0.368 17614 12693 1 11 . 1 1 223 223 VAL H H 235 8.142 8.142 7.406 0.736 17614 12694 1 11 . 1 1 224 224 ASP N N 236 121.556 121.556 119.878 1.678 17614 12695 1 11 . 1 1 224 224 ASP C C 236 177.422 177.422 178.398 -0.976 17614 12696 1 11 . 1 1 224 224 ASP CA C 236 57.135 57.135 56.971 0.164 17614 12697 1 11 . 1 1 224 224 ASP CB C 236 40.065 40.065 40.643 -0.578 17614 12698 1 11 . 1 1 224 224 ASP H H 236 7.932 7.932 7.301 0.631 17614 12699 1 11 . 1 1 225 225 VAL N N 237 117.233 117.233 119.783 -2.550 17614 12700 1 11 . 1 1 225 225 VAL CA C 237 64.977 64.977 66.264 -1.287 17614 12701 1 11 . 1 1 225 225 VAL CB C 237 31.013 31.013 31.663 -0.650 17614 12702 1 11 . 1 1 225 225 VAL H H 237 7.710 7.710 7.962 -0.252 17614 12703 1 11 . 1 1 226 226 VAL C C 238 177.584 177.584 177.220 0.364 17614 12704 1 11 . 1 1 226 226 VAL H H 238 7.607 7.607 7.739 -0.132 17614 12705 1 11 . 1 1 227 227 LYS N N 239 120.095 120.095 117.958 2.137 17614 12706 1 11 . 1 1 227 227 LYS C C 239 178.678 178.678 178.185 0.493 17614 12707 1 11 . 1 1 227 227 LYS CA C 239 58.483 58.483 59.302 -0.819 17614 12708 1 11 . 1 1 227 227 LYS CB C 239 31.863 31.863 32.083 -0.220 17614 12709 1 11 . 1 1 227 227 LYS H H 239 7.761 7.761 7.464 0.297 17614 12710 1 11 . 1 1 228 228 THR N N 240 115.247 115.247 112.737 2.510 17614 12711 1 11 . 1 1 228 228 THR C C 240 175.093 175.093 175.605 -0.512 17614 12712 1 11 . 1 1 228 228 THR CA C 240 66.458 66.458 64.021 2.437 17614 12713 1 11 . 1 1 228 228 THR CB C 240 68.011 68.011 69.254 -1.243 17614 12714 1 11 . 1 1 228 228 THR H H 240 7.761 7.761 7.425 0.336 17614 12715 1 11 . 1 1 229 229 ARG N N 241 119.633 119.633 120.819 -1.186 17614 12716 1 11 . 1 1 229 229 ARG CA C 241 57.133 57.133 58.120 -0.987 17614 12717 1 11 . 1 1 229 229 ARG CB C 241 31.218 31.218 30.381 0.837 17614 12718 1 11 . 1 1 229 229 ARG H H 241 7.383 7.383 7.428 -0.045 17614 12719 1 11 . 1 1 230 230 TYR C C 242 174.956 174.956 175.733 -0.777 17614 12720 1 11 . 1 1 230 230 TYR H H 242 8.699 8.699 8.394 0.305 17614 12721 1 11 . 1 1 231 231 MET N N 243 118.458 118.458 121.745 -3.287 17614 12722 1 11 . 1 1 231 231 MET C C 243 175.676 175.676 174.662 1.014 17614 12723 1 11 . 1 1 231 231 MET CA C 243 54.417 54.417 56.848 -2.431 17614 12724 1 11 . 1 1 231 231 MET H H 243 7.442 7.442 8.482 -1.040 17614 12725 1 11 . 1 1 232 232 ASN N N 244 116.369 116.369 118.329 -1.960 17614 12726 1 11 . 1 1 232 232 ASN C C 244 174.919 174.919 174.608 0.311 17614 12727 1 11 . 1 1 232 232 ASN CA C 244 59.470 59.470 52.729 6.741 17614 12728 1 11 . 1 1 232 232 ASN CB C 244 39.079 39.079 39.209 -0.130 17614 12729 1 11 . 1 1 232 232 ASN H H 244 7.772 7.772 8.469 -0.697 17614 12730 1 11 . 1 1 233 233 SER N N 245 114.568 114.568 114.138 0.430 17614 12731 1 11 . 1 1 233 233 SER C C 245 175.695 175.695 174.006 1.689 17614 12732 1 11 . 1 1 233 233 SER CA C 245 53.852 53.852 58.247 -4.395 17614 12733 1 11 . 1 1 233 233 SER CB C 245 61.232 61.232 62.550 -1.318 17614 12734 1 11 . 1 1 233 233 SER H H 245 8.475 8.475 8.280 0.195 17614 12735 1 11 . 1 1 234 234 ALA N N 246 127.283 127.283 125.411 1.872 17614 12736 1 11 . 1 1 234 234 ALA C C 246 177.128 177.128 176.918 0.210 17614 12737 1 11 . 1 1 234 234 ALA CA C 246 56.803 56.803 51.948 4.855 17614 12738 1 11 . 1 1 234 234 ALA CB C 246 18.901 18.901 19.648 -0.747 17614 12739 1 11 . 1 1 234 234 ALA H H 246 7.929 7.929 7.912 0.017 17614 12740 1 11 . 1 1 235 235 LEU N N 247 118.112 118.112 118.375 -0.263 17614 12741 1 11 . 1 1 235 235 LEU C C 247 176.723 176.723 176.263 0.460 17614 12742 1 11 . 1 1 235 235 LEU CA C 247 54.156 54.156 54.442 -0.286 17614 12743 1 11 . 1 1 235 235 LEU CB C 247 41.215 41.215 40.618 0.597 17614 12744 1 11 . 1 1 235 235 LEU H H 247 7.922 7.922 8.421 -0.499 17614 12745 1 11 . 1 1 236 236 GLY N N 248 107.203 107.203 106.565 0.638 17614 12746 1 11 . 1 1 236 236 GLY CA C 248 44.558 44.558 44.612 -0.054 17614 12747 1 11 . 1 1 236 236 GLY H H 248 8.318 8.318 8.040 0.278 17614 12748 1 11 . 1 1 238 238 TYR C C 250 175.942 175.942 173.938 2.004 17614 12749 1 11 . 1 1 238 238 TYR H H 250 8.134 8.134 8.589 -0.455 17614 12750 1 11 . 1 1 239 239 HIS N N 251 123.281 123.281 120.867 2.414 17614 12751 1 11 . 1 1 239 239 HIS C C 251 174.531 174.531 175.295 -0.764 17614 12752 1 11 . 1 1 239 239 HIS CA C 251 58.931 58.931 57.852 1.079 17614 12753 1 11 . 1 1 239 239 HIS CB C 251 29.525 29.525 30.301 -0.776 17614 12754 1 11 . 1 1 239 239 HIS H H 251 8.184 8.184 8.510 -0.326 17614 12755 1 11 . 1 1 240 240 SER N N 252 110.038 110.038 110.706 -0.668 17614 12756 1 11 . 1 1 240 240 SER C C 252 174.429 174.429 174.089 0.340 17614 12757 1 11 . 1 1 240 240 SER CA C 252 57.452 57.452 57.377 0.075 17614 12758 1 11 . 1 1 240 240 SER CB C 252 65.022 65.022 65.260 -0.238 17614 12759 1 11 . 1 1 240 240 SER H H 252 8.010 8.010 7.722 0.288 17614 12760 1 11 . 1 1 241 241 ALA N N 253 123.034 123.034 123.330 -0.296 17614 12761 1 11 . 1 1 241 241 ALA C C 253 179.249 179.249 179.831 -0.582 17614 12762 1 11 . 1 1 241 241 ALA CA C 253 54.981 54.981 54.817 0.164 17614 12763 1 11 . 1 1 241 241 ALA CB C 253 19.069 19.069 18.206 0.863 17614 12764 1 11 . 1 1 241 241 ALA H H 253 8.034 8.034 8.704 -0.670 17614 12765 1 11 . 1 1 242 242 GLY N N 254 106.379 106.379 105.585 0.794 17614 12766 1 11 . 1 1 242 242 GLY C C 254 174.433 174.433 175.834 -1.401 17614 12767 1 11 . 1 1 242 242 GLY CA C 254 47.615 47.615 47.097 0.518 17614 12768 1 11 . 1 1 242 242 GLY H H 254 8.427 8.427 8.709 -0.282 17614 12769 1 11 . 1 1 243 243 HIS N N 255 121.119 121.119 121.242 -0.123 17614 12770 1 11 . 1 1 243 243 HIS C C 255 178.084 178.084 176.967 1.117 17614 12771 1 11 . 1 1 243 243 HIS CA C 255 60.144 60.144 59.413 0.731 17614 12772 1 11 . 1 1 243 243 HIS CB C 255 33.073 33.073 29.901 3.172 17614 12773 1 11 . 1 1 243 243 HIS H H 255 8.304 8.304 7.810 0.494 17614 12774 1 11 . 1 1 244 244 CYS N N 256 117.946 117.946 118.528 -0.582 17614 12775 1 11 . 1 1 244 244 CYS C C 256 175.453 175.453 176.275 -0.822 17614 12776 1 11 . 1 1 244 244 CYS CA C 256 58.668 58.668 62.184 -3.516 17614 12777 1 11 . 1 1 244 244 CYS CB C 256 41.434 41.434 26.008 15.426 17614 12778 1 11 . 1 1 244 244 CYS H H 256 8.168 8.168 7.892 0.276 17614 12779 1 11 . 1 1 245 245 ALA N N 257 123.138 123.138 123.092 0.046 17614 12780 1 11 . 1 1 245 245 ALA C C 257 179.489 179.489 179.474 0.015 17614 12781 1 11 . 1 1 245 245 ALA CA C 257 54.589 54.589 55.278 -0.689 17614 12782 1 11 . 1 1 245 245 ALA CB C 257 17.675 17.675 17.997 -0.322 17614 12783 1 11 . 1 1 245 245 ALA H H 257 7.932 7.932 7.435 0.497 17614 12784 1 11 . 1 1 246 246 LEU N N 258 119.779 119.779 118.855 0.924 17614 12785 1 11 . 1 1 246 246 LEU C C 258 178.234 178.234 178.671 -0.437 17614 12786 1 11 . 1 1 246 246 LEU CA C 258 56.967 56.967 57.858 -0.891 17614 12787 1 11 . 1 1 246 246 LEU CB C 258 41.067 41.067 41.824 -0.757 17614 12788 1 11 . 1 1 246 246 LEU H H 258 7.681 7.681 7.876 -0.195 17614 12789 1 11 . 1 1 247 247 THR N N 259 114.552 114.552 116.150 -1.598 17614 12790 1 11 . 1 1 247 247 THR C C 259 176.244 176.244 176.520 -0.276 17614 12791 1 11 . 1 1 247 247 THR CA C 259 66.511 66.511 67.080 -0.569 17614 12792 1 11 . 1 1 247 247 THR CB C 259 67.274 67.274 68.430 -1.156 17614 12793 1 11 . 1 1 247 247 THR H H 259 7.855 7.855 8.272 -0.417 17614 12794 1 11 . 1 1 248 248 MET N N 260 118.862 118.862 121.865 -3.003 17614 12795 1 11 . 1 1 248 248 MET C C 260 177.094 177.094 177.308 -0.214 17614 12796 1 11 . 1 1 248 248 MET CA C 260 58.532 58.532 57.962 0.570 17614 12797 1 11 . 1 1 248 248 MET CB C 260 32.288 32.288 32.040 0.248 17614 12798 1 11 . 1 1 248 248 MET H H 260 8.296 8.296 8.388 -0.092 17614 12799 1 11 . 1 1 249 249 LEU N N 261 116.839 116.839 118.407 -1.568 17614 12800 1 11 . 1 1 249 249 LEU C C 261 178.162 178.162 178.883 -0.721 17614 12801 1 11 . 1 1 249 249 LEU CA C 261 58.167 58.167 56.844 1.323 17614 12802 1 11 . 1 1 249 249 LEU CB C 261 42.202 42.202 42.034 0.168 17614 12803 1 11 . 1 1 249 249 LEU H H 261 8.053 8.053 7.550 0.503 17614 12804 1 11 . 1 1 250 250 ARG N N 262 116.821 116.821 117.815 -0.994 17614 12805 1 11 . 1 1 250 250 ARG CA C 262 58.761 58.761 58.286 0.475 17614 12806 1 11 . 1 1 250 250 ARG CB C 262 30.825 30.825 30.386 0.439 17614 12807 1 11 . 1 1 250 250 ARG H H 262 7.827 7.827 7.630 0.197 17614 12808 1 11 . 1 1 254 254 PRO C C 266 177.152 177.152 178.093 -0.941 17614 12809 1 11 . 1 1 254 254 PRO CA C 266 65.152 65.152 64.339 0.813 17614 12810 1 11 . 1 1 255 255 ARG N N 267 117.739 117.739 118.007 -0.268 17614 12811 1 11 . 1 1 255 255 ARG C C 267 177.463 177.463 178.030 -0.567 17614 12812 1 11 . 1 1 255 255 ARG CA C 267 59.335 59.335 58.681 0.654 17614 12813 1 11 . 1 1 255 255 ARG CB C 267 30.185 30.185 29.729 0.456 17614 12814 1 11 . 1 1 255 255 ARG H H 267 8.072 8.072 8.218 -0.146 17614 12815 1 11 . 1 1 256 256 ALA N N 268 121.709 121.709 122.031 -0.322 17614 12816 1 11 . 1 1 256 256 ALA C C 268 179.251 179.251 179.729 -0.478 17614 12817 1 11 . 1 1 256 256 ALA CA C 268 54.631 54.631 54.898 -0.267 17614 12818 1 11 . 1 1 256 256 ALA CB C 268 18.683 18.683 18.342 0.341 17614 12819 1 11 . 1 1 256 256 ALA H H 268 7.963 7.963 8.035 -0.072 17614 12820 1 11 . 1 1 257 257 PHE N N 269 117.096 117.096 117.991 -0.895 17614 12821 1 11 . 1 1 257 257 PHE C C 269 175.987 175.987 177.671 -1.684 17614 12822 1 11 . 1 1 257 257 PHE CA C 269 61.037 61.037 61.145 -0.108 17614 12823 1 11 . 1 1 257 257 PHE CB C 269 38.637 38.637 38.835 -0.198 17614 12824 1 11 . 1 1 257 257 PHE H H 269 7.832 7.832 7.987 -0.155 17614 12825 1 11 . 1 1 258 258 TYR N N 270 118.496 118.496 117.769 0.727 17614 12826 1 11 . 1 1 258 258 TYR C C 270 176.250 176.250 176.510 -0.260 17614 12827 1 11 . 1 1 258 258 TYR CA C 270 60.116 60.116 60.351 -0.235 17614 12828 1 11 . 1 1 258 258 TYR CB C 270 38.882 38.882 38.586 0.296 17614 12829 1 11 . 1 1 258 258 TYR H H 270 7.813 7.813 7.725 0.088 17614 12830 1 11 . 1 1 259 259 LYS N N 271 119.458 119.458 118.649 0.809 17614 12831 1 11 . 1 1 259 259 LYS C C 271 177.696 177.696 176.369 1.327 17614 12832 1 11 . 1 1 259 259 LYS CA C 271 57.192 57.192 56.065 1.127 17614 12833 1 11 . 1 1 259 259 LYS CB C 271 32.734 32.734 33.268 -0.534 17614 12834 1 11 . 1 1 259 259 LYS H H 271 7.864 7.864 7.955 -0.091 17614 12835 1 11 . 1 1 260 260 GLY N N 272 106.217 106.217 107.121 -0.904 17614 12836 1 11 . 1 1 260 260 GLY C C 272 173.967 173.967 172.983 0.984 17614 12837 1 11 . 1 1 260 260 GLY CA C 272 46.117 46.117 45.482 0.635 17614 12838 1 11 . 1 1 260 260 GLY H H 272 7.622 7.622 8.175 -0.553 17614 12839 1 11 . 1 1 261 261 PHE N N 273 118.847 118.847 114.353 4.494 17614 12840 1 11 . 1 1 261 261 PHE C C 273 175.055 175.055 175.634 -0.579 17614 12841 1 11 . 1 1 261 261 PHE CA C 273 57.721 57.721 56.830 0.892 17614 12842 1 11 . 1 1 261 261 PHE CB C 273 40.183 40.183 38.895 1.288 17614 12843 1 11 . 1 1 261 261 PHE H H 273 7.677 7.677 7.364 0.313 17614 12844 1 11 . 1 1 265 265 PHE C C 277 176.602 176.602 177.093 -0.491 17614 12845 1 11 . 1 1 265 265 PHE CA C 277 61.838 61.838 61.405 0.433 17614 12846 1 11 . 1 1 265 265 PHE CB C 277 39.537 39.537 39.344 0.193 17614 12847 1 11 . 1 1 265 265 PHE H H 277 7.695 7.695 8.347 -0.652 17614 12848 1 11 . 1 1 266 266 LEU N N 278 118.465 118.465 119.786 -1.321 17614 12849 1 11 . 1 1 266 266 LEU C C 278 177.152 177.152 179.033 -1.881 17614 12850 1 11 . 1 1 266 266 LEU CA C 278 56.115 56.115 57.808 -1.693 17614 12851 1 11 . 1 1 266 266 LEU CB C 278 42.398 42.398 41.093 1.304 17614 12852 1 11 . 1 1 266 266 LEU H H 278 8.104 8.104 7.965 0.139 17614 12853 1 11 . 1 1 267 267 ARG N N 279 118.749 118.749 118.718 0.031 17614 12854 1 11 . 1 1 267 267 ARG C C 279 176.608 176.608 178.998 -2.390 17614 12855 1 11 . 1 1 267 267 ARG CA C 279 56.938 56.938 59.438 -2.500 17614 12856 1 11 . 1 1 267 267 ARG CB C 279 30.659 30.659 29.882 0.777 17614 12857 1 11 . 1 1 267 267 ARG H H 279 7.472 7.472 7.897 -0.425 17614 12858 1 11 . 1 1 268 268 LEU N N 280 120.305 120.305 119.908 0.397 17614 12859 1 11 . 1 1 268 268 LEU C C 280 177.540 177.540 179.396 -1.856 17614 12860 1 11 . 1 1 268 268 LEU CA C 280 57.094 57.094 58.007 -0.913 17614 12861 1 11 . 1 1 268 268 LEU CB C 280 42.027 42.027 40.733 1.294 17614 12862 1 11 . 1 1 268 268 LEU H H 280 7.690 7.690 8.374 -0.684 17614 12863 1 11 . 1 1 269 269 GLY N N 281 106.837 106.837 106.808 0.029 17614 12864 1 11 . 1 1 269 269 GLY C C 281 174.045 174.045 176.266 -2.221 17614 12865 1 11 . 1 1 269 269 GLY CA C 281 46.967 46.967 46.983 -0.016 17614 12866 1 11 . 1 1 269 269 GLY H H 281 7.881 7.881 7.755 0.126 17614 12867 1 11 . 1 1 270 270 SER N N 282 115.531 115.531 118.096 -2.565 17614 12868 1 11 . 1 1 270 270 SER C C 282 174.123 174.123 176.354 -2.231 17614 12869 1 11 . 1 1 270 270 SER CA C 282 58.796 58.796 61.371 -2.575 17614 12870 1 11 . 1 1 270 270 SER CB C 282 58.975 58.975 63.113 -4.138 17614 12871 1 11 . 1 1 270 270 SER H H 282 7.813 7.813 7.527 0.286 17614 12872 1 11 . 1 1 271 271 TRP N N 283 122.851 122.851 122.913 -0.062 17614 12873 1 11 . 1 1 271 271 TRP C C 283 176.142 176.142 177.408 -1.266 17614 12874 1 11 . 1 1 271 271 TRP CA C 283 59.221 59.221 60.692 -1.471 17614 12875 1 11 . 1 1 271 271 TRP CB C 283 30.446 30.446 29.589 0.857 17614 12876 1 11 . 1 1 271 271 TRP H H 283 8.186 8.186 8.651 -0.465 17614 12877 1 11 . 1 1 272 272 ASN N N 284 118.459 118.459 118.746 -0.287 17614 12878 1 11 . 1 1 272 272 ASN CA C 284 55.325 55.325 56.533 -1.208 17614 12879 1 11 . 1 1 272 272 ASN CB C 284 39.504 39.504 38.410 1.095 17614 12880 1 11 . 1 1 272 272 ASN H H 284 8.127 8.127 7.894 0.233 17614 12881 1 11 . 1 1 273 273 VAL C C 285 177.263 177.263 177.444 -0.181 17614 12882 1 11 . 1 1 273 273 VAL H H 285 7.854 7.854 7.554 0.300 17614 12883 1 11 . 1 1 274 274 VAL N N 286 119.883 119.883 117.364 2.519 17614 12884 1 11 . 1 1 274 274 VAL C C 286 177.072 177.072 177.155 -0.083 17614 12885 1 11 . 1 1 274 274 VAL CA C 286 64.717 64.717 66.075 -1.358 17614 12886 1 11 . 1 1 274 274 VAL CB C 286 29.553 29.553 31.281 -1.728 17614 12887 1 11 . 1 1 274 274 VAL H H 286 7.483 7.483 7.184 0.299 17614 12888 1 11 . 1 1 275 275 MET N N 287 120.401 120.401 118.457 1.944 17614 12889 1 11 . 1 1 275 275 MET C C 287 177.594 177.594 178.784 -1.190 17614 12890 1 11 . 1 1 275 275 MET CA C 287 57.654 57.654 58.884 -1.230 17614 12891 1 11 . 1 1 275 275 MET CB C 287 31.592 31.592 32.243 -0.651 17614 12892 1 11 . 1 1 275 275 MET H H 287 8.118 8.118 7.304 0.814 17614 12893 1 11 . 1 1 276 276 PHE N N 288 122.234 122.234 118.620 3.614 17614 12894 1 11 . 1 1 276 276 PHE C C 288 176.498 176.498 177.862 -1.364 17614 12895 1 11 . 1 1 276 276 PHE CA C 288 61.766 61.766 62.374 -0.608 17614 12896 1 11 . 1 1 276 276 PHE CB C 288 39.031 39.031 38.637 0.394 17614 12897 1 11 . 1 1 276 276 PHE H H 288 7.878 7.878 7.869 0.009 17614 12898 1 11 . 1 1 277 277 VAL N N 289 118.907 118.907 116.398 2.509 17614 12899 1 11 . 1 1 277 277 VAL CA C 289 64.566 64.566 66.787 -2.221 17614 12900 1 11 . 1 1 277 277 VAL CB C 289 30.544 30.544 31.500 -0.956 17614 12901 1 11 . 1 1 277 277 VAL H H 289 7.913 7.913 7.602 0.311 17614 12902 1 11 . 1 1 278 278 THR C C 290 175.376 175.376 176.414 -1.038 17614 12903 1 11 . 1 1 278 278 THR H H 290 8.095 8.095 7.527 0.568 17614 12904 1 11 . 1 1 279 279 TYR N N 291 118.029 118.029 122.653 -4.624 17614 12905 1 11 . 1 1 279 279 TYR C C 291 176.919 176.919 176.826 0.093 17614 12906 1 11 . 1 1 279 279 TYR CA C 291 61.717 61.717 61.654 0.063 17614 12907 1 11 . 1 1 279 279 TYR CB C 291 38.020 38.020 38.403 -0.383 17614 12908 1 11 . 1 1 279 279 TYR H H 291 7.986 7.986 7.649 0.337 17614 12909 1 11 . 1 1 280 280 GLU N N 292 118.005 118.005 118.051 -0.046 17614 12910 1 11 . 1 1 280 280 GLU C C 292 176.686 176.686 178.655 -1.969 17614 12911 1 11 . 1 1 280 280 GLU CA C 292 60.084 60.084 59.507 0.577 17614 12912 1 11 . 1 1 280 280 GLU CB C 292 29.443 29.443 28.535 0.908 17614 12913 1 11 . 1 1 280 280 GLU H H 292 8.359 8.359 8.210 0.149 17614 12914 1 11 . 1 1 281 281 GLN N N 293 118.746 118.746 119.624 -0.878 17614 12915 1 11 . 1 1 281 281 GLN C C 293 176.210 176.210 177.606 -1.396 17614 12916 1 11 . 1 1 281 281 GLN CA C 293 58.986 58.986 58.504 0.482 17614 12917 1 11 . 1 1 281 281 GLN CB C 293 28.784 28.784 28.393 0.391 17614 12918 1 11 . 1 1 281 281 GLN H H 293 7.704 7.704 7.629 0.075 17614 12919 1 11 . 1 1 282 282 LEU N N 294 120.970 120.970 117.900 3.070 17614 12920 1 11 . 1 1 282 282 LEU C C 294 178.084 178.084 178.538 -0.454 17614 12921 1 11 . 1 1 282 282 LEU CA C 294 58.741 58.741 56.984 1.756 17614 12922 1 11 . 1 1 282 282 LEU CB C 294 41.451 41.451 41.458 -0.007 17614 12923 1 11 . 1 1 282 282 LEU H H 294 7.995 7.995 7.344 0.651 17614 12924 1 11 . 1 1 283 283 LYS N N 295 117.756 117.756 117.008 0.748 17614 12925 1 11 . 1 1 283 283 LYS CA C 295 59.048 59.048 58.471 0.577 17614 12926 1 11 . 1 1 283 283 LYS CB C 295 31.871 31.871 32.937 -1.066 17614 12927 1 11 . 1 1 283 283 LYS H H 295 7.731 7.731 7.564 0.167 17614 12928 1 11 . 1 1 284 284 ARG H H 296 7.895 7.895 7.990 -0.095 17614 12929 1 11 . 1 1 285 285 ALA C C 297 176.488 176.488 175.861 0.627 17614 12930 1 11 . 1 1 285 285 ALA H H 297 8.223 8.223 8.213 0.010 17614 12931 1 11 . 1 1 286 286 LEU N N 298 117.376 117.376 121.334 -3.958 17614 12932 1 11 . 1 1 286 286 LEU C C 298 178.628 178.628 177.298 1.330 17614 12933 1 11 . 1 1 286 286 LEU CA C 298 58.217 58.217 55.282 2.936 17614 12934 1 11 . 1 1 286 286 LEU CB C 298 41.905 41.905 41.026 0.879 17614 12935 1 11 . 1 1 286 286 LEU H H 298 7.947 7.947 8.465 -0.518 17614 12936 1 11 . 1 1 287 287 MET N N 299 127.376 127.376 127.641 -0.265 17614 12937 1 11 . 1 1 287 287 MET C C 299 178.472 178.472 174.835 3.637 17614 12938 1 11 . 1 1 287 287 MET CA C 299 58.461 58.461 55.090 3.371 17614 12939 1 11 . 1 1 287 287 MET CB C 299 32.110 32.110 31.302 0.808 17614 12940 1 11 . 1 1 287 287 MET H H 299 8.182 8.182 8.732 -0.550 17614 12941 1 11 . 1 1 288 288 ALA N N 300 121.854 121.854 124.055 -2.201 17614 12942 1 11 . 1 1 288 288 ALA C C 300 180.197 180.197 176.046 4.151 17614 12943 1 11 . 1 1 288 288 ALA CA C 300 55.617 55.617 52.383 3.234 17614 12944 1 11 . 1 1 288 288 ALA CB C 300 18.215 18.215 19.895 -1.680 17614 12945 1 11 . 1 1 288 288 ALA H H 300 7.841 7.841 7.735 0.106 17614 12946 1 11 . 1 1 289 289 ALA N N 301 121.224 121.224 128.753 -7.529 17614 12947 1 11 . 1 1 289 289 ALA C C 301 178.939 178.939 178.511 0.428 17614 12948 1 11 . 1 1 289 289 ALA CA C 301 55.186 55.186 54.201 0.985 17614 12949 1 11 . 1 1 289 289 ALA CB C 301 18.735 18.735 19.125 -0.390 17614 12950 1 11 . 1 1 289 289 ALA H H 301 7.872 7.872 8.714 -0.842 17614 12951 1 11 . 1 1 290 290 TYR N N 302 118.183 118.183 119.810 -1.627 17614 12952 1 11 . 1 1 290 290 TYR C C 302 176.841 176.841 177.713 -0.872 17614 12953 1 11 . 1 1 290 290 TYR CA C 302 60.868 60.868 61.393 -0.525 17614 12954 1 11 . 1 1 290 290 TYR CB C 302 39.344 39.344 38.106 1.238 17614 12955 1 11 . 1 1 290 290 TYR H H 302 8.100 8.100 8.477 -0.377 17614 12956 1 11 . 1 1 291 291 GLN N N 303 117.243 117.243 118.634 -1.391 17614 12957 1 11 . 1 1 291 291 GLN C C 303 176.997 176.997 178.219 -1.222 17614 12958 1 11 . 1 1 291 291 GLN CA C 303 58.787 58.787 59.109 -0.322 17614 12959 1 11 . 1 1 291 291 GLN CB C 303 29.216 29.216 28.077 1.139 17614 12960 1 11 . 1 1 291 291 GLN H H 303 8.059 8.059 8.648 -0.589 17614 12961 1 11 . 1 1 292 292 SER N N 304 114.721 114.721 115.478 -0.757 17614 12962 1 11 . 1 1 292 292 SER C C 304 174.511 174.511 176.508 -1.997 17614 12963 1 11 . 1 1 292 292 SER CA C 304 59.720 59.720 61.052 -1.332 17614 12964 1 11 . 1 1 292 292 SER CB C 304 63.896 63.896 63.299 0.597 17614 12965 1 11 . 1 1 292 292 SER H H 304 7.718 7.718 7.862 -0.144 17614 12966 1 11 . 1 1 293 293 ARG N N 305 121.401 121.401 119.659 1.742 17614 12967 1 11 . 1 1 293 293 ARG C C 305 175.521 175.521 178.013 -2.492 17614 12968 1 11 . 1 1 293 293 ARG CA C 305 59.639 59.639 58.107 1.532 17614 12969 1 11 . 1 1 293 293 ARG CB C 305 30.568 30.568 29.959 0.609 17614 12970 1 11 . 1 1 293 293 ARG H H 305 7.609 7.609 8.101 -0.492 17614 12971 1 11 . 1 1 294 294 GLU N N 306 120.090 120.090 118.075 2.015 17614 12972 1 11 . 1 1 294 294 GLU C C 306 177.648 177.648 178.850 -1.202 17614 12973 1 11 . 1 1 294 294 GLU CA C 306 59.624 59.624 58.743 0.881 17614 12974 1 11 . 1 1 294 294 GLU CB C 306 30.362 30.362 29.649 0.713 17614 12975 1 11 . 1 1 294 294 GLU H H 306 7.909 7.909 7.748 0.161 17614 12976 1 11 . 1 1 295 295 ALA N N 307 121.234 121.234 124.241 -3.007 17614 12977 1 11 . 1 1 295 295 ALA C C 307 176.014 176.014 177.016 -1.002 17614 12978 1 11 . 1 1 295 295 ALA CA C 307 56.844 56.844 55.328 1.516 17614 12979 1 11 . 1 1 295 295 ALA CB C 307 17.735 17.735 16.819 0.916 17614 12980 1 11 . 1 1 295 295 ALA H H 307 7.760 7.760 7.708 0.052 17614 12981 1 12 . 1 1 3 3 VAL N N 15 123.095 123.095 123.290 -0.195 17614 12982 1 12 . 1 1 3 3 VAL C C 15 176.453 176.453 174.946 1.507 17614 12983 1 12 . 1 1 3 3 VAL CA C 15 63.979 63.979 60.632 3.347 17614 12984 1 12 . 1 1 3 3 VAL CB C 15 32.507 32.507 35.791 -3.284 17614 12985 1 12 . 1 1 3 3 VAL H H 15 8.053 8.053 7.924 0.129 17614 12986 1 12 . 1 1 4 4 LYS N N 16 123.075 123.075 123.198 -0.123 17614 12987 1 12 . 1 1 4 4 LYS C C 16 176.841 176.841 178.862 -2.021 17614 12988 1 12 . 1 1 4 4 LYS CA C 16 59.762 59.762 58.640 1.122 17614 12989 1 12 . 1 1 4 4 LYS CB C 16 32.751 32.751 31.743 1.008 17614 12990 1 12 . 1 1 4 4 LYS H H 16 8.059 8.059 8.520 -0.461 17614 12991 1 12 . 1 1 5 5 PHE N N 17 118.838 118.838 118.468 0.370 17614 12992 1 12 . 1 1 5 5 PHE C C 17 175.443 175.443 178.461 -3.018 17614 12993 1 12 . 1 1 5 5 PHE CA C 17 59.915 59.915 61.019 -1.104 17614 12994 1 12 . 1 1 5 5 PHE CB C 17 39.659 39.659 38.109 1.550 17614 12995 1 12 . 1 1 5 5 PHE H H 17 7.909 7.909 7.808 0.101 17614 12996 1 12 . 1 1 6 6 LEU N N 18 119.089 119.089 119.837 -0.748 17614 12997 1 12 . 1 1 6 6 LEU C C 18 177.195 177.195 178.325 -1.130 17614 12998 1 12 . 1 1 6 6 LEU CA C 18 55.385 55.385 56.745 -1.359 17614 12999 1 12 . 1 1 6 6 LEU CB C 18 42.905 42.905 41.620 1.285 17614 13000 1 12 . 1 1 6 6 LEU H H 18 7.814 7.814 8.048 -0.234 17614 13001 1 12 . 1 1 7 7 GLY N N 19 108.484 108.484 107.770 0.714 17614 13002 1 12 . 1 1 7 7 GLY C C 19 174.967 174.967 175.572 -0.605 17614 13003 1 12 . 1 1 7 7 GLY CA C 19 45.518 45.518 47.157 -1.639 17614 13004 1 12 . 1 1 7 7 GLY H H 19 8.032 8.032 8.272 -0.240 17614 13005 1 12 . 1 1 8 8 ALA N N 20 124.208 124.208 123.844 0.364 17614 13006 1 12 . 1 1 8 8 ALA C C 20 179.405 179.405 179.524 -0.119 17614 13007 1 12 . 1 1 8 8 ALA CA C 20 54.531 54.531 54.483 0.048 17614 13008 1 12 . 1 1 8 8 ALA CB C 20 18.995 18.995 18.270 0.725 17614 13009 1 12 . 1 1 8 8 ALA H H 20 8.318 8.318 7.943 0.375 17614 13010 1 12 . 1 1 9 9 GLY N N 21 108.209 108.209 107.434 0.775 17614 13011 1 12 . 1 1 9 9 GLY C C 21 175.676 175.676 176.268 -0.592 17614 13012 1 12 . 1 1 9 9 GLY CA C 21 46.742 46.742 47.459 -0.717 17614 13013 1 12 . 1 1 9 9 GLY H H 21 8.523 8.523 8.123 0.400 17614 13014 1 12 . 1 1 10 10 THR N N 22 119.542 119.542 118.780 0.762 17614 13015 1 12 . 1 1 10 10 THR C C 22 175.661 175.661 176.005 -0.344 17614 13016 1 12 . 1 1 10 10 THR CA C 22 66.401 66.401 66.612 -0.211 17614 13017 1 12 . 1 1 10 10 THR CB C 22 68.866 68.866 68.407 0.459 17614 13018 1 12 . 1 1 10 10 THR H H 22 7.881 7.881 8.331 -0.450 17614 13019 1 12 . 1 1 11 11 ALA N N 23 123.431 123.431 123.759 -0.328 17614 13020 1 12 . 1 1 11 11 ALA C C 23 178.628 178.628 179.033 -0.405 17614 13021 1 12 . 1 1 11 11 ALA CA C 23 55.480 55.480 55.008 0.471 17614 13022 1 12 . 1 1 11 11 ALA CB C 23 18.218 18.218 17.973 0.245 17614 13023 1 12 . 1 1 11 11 ALA H H 23 8.263 8.263 7.527 0.736 17614 13024 1 12 . 1 1 12 12 ALA N N 24 119.939 119.939 120.684 -0.745 17614 13025 1 12 . 1 1 12 12 ALA C C 24 179.172 179.172 179.471 -0.299 17614 13026 1 12 . 1 1 12 12 ALA CA C 24 55.038 55.038 55.046 -0.008 17614 13027 1 12 . 1 1 12 12 ALA CB C 24 18.385 18.385 18.224 0.161 17614 13028 1 12 . 1 1 12 12 ALA H H 24 7.827 7.827 8.397 -0.570 17614 13029 1 12 . 1 1 13 13 CYS N N 25 116.736 116.736 117.218 -0.482 17614 13030 1 12 . 1 1 13 13 CYS C C 25 176.220 176.220 177.271 -1.051 17614 13031 1 12 . 1 1 13 13 CYS CA C 25 58.596 58.596 62.227 -3.631 17614 13032 1 12 . 1 1 13 13 CYS CB C 25 41.771 41.771 27.110 14.661 17614 13033 1 12 . 1 1 13 13 CYS H H 25 7.677 7.677 7.532 0.145 17614 13034 1 12 . 1 1 14 14 ILE N N 26 119.154 119.154 119.092 0.062 17614 13035 1 12 . 1 1 14 14 ILE C C 26 176.915 176.915 177.335 -0.420 17614 13036 1 12 . 1 1 14 14 ILE CA C 26 64.858 64.858 64.617 0.241 17614 13037 1 12 . 1 1 14 14 ILE CB C 26 38.090 38.090 36.958 1.132 17614 13038 1 12 . 1 1 14 14 ILE H H 26 7.899 7.899 7.667 0.232 17614 13039 1 12 . 1 1 15 15 ALA N N 27 121.116 121.116 122.130 -1.014 17614 13040 1 12 . 1 1 15 15 ALA C C 27 179.016 179.016 178.432 0.584 17614 13041 1 12 . 1 1 15 15 ALA CA C 27 55.367 55.367 54.999 0.368 17614 13042 1 12 . 1 1 15 15 ALA CB C 27 18.385 18.385 18.559 -0.174 17614 13043 1 12 . 1 1 15 15 ALA H H 27 7.909 7.909 7.836 0.073 17614 13044 1 12 . 1 1 16 16 ASP N N 28 116.829 116.829 117.555 -0.726 17614 13045 1 12 . 1 1 16 16 ASP C C 28 177.643 177.643 178.598 -0.955 17614 13046 1 12 . 1 1 16 16 ASP CA C 28 56.453 56.453 56.839 -0.386 17614 13047 1 12 . 1 1 16 16 ASP CB C 28 41.128 41.128 40.893 0.235 17614 13048 1 12 . 1 1 16 16 ASP H H 28 7.554 7.554 7.549 0.005 17614 13049 1 12 . 1 1 17 17 LEU N N 29 119.672 119.672 120.976 -1.304 17614 13050 1 12 . 1 1 17 17 LEU C C 29 178.628 178.628 179.415 -0.787 17614 13051 1 12 . 1 1 17 17 LEU CA C 29 57.144 57.144 58.406 -1.262 17614 13052 1 12 . 1 1 17 17 LEU CB C 29 43.146 43.146 42.115 1.031 17614 13053 1 12 . 1 1 17 17 LEU H H 29 7.732 7.732 7.506 0.226 17614 13054 1 12 . 1 1 18 18 ILE N N 30 113.629 113.629 117.449 -3.820 17614 13055 1 12 . 1 1 18 18 ILE C C 30 176.456 176.456 176.749 -0.293 17614 13056 1 12 . 1 1 18 18 ILE CA C 30 60.539 60.539 63.271 -2.732 17614 13057 1 12 . 1 1 18 18 ILE CB C 30 38.506 38.506 38.376 0.130 17614 13058 1 12 . 1 1 18 18 ILE H H 30 7.977 7.977 7.615 0.362 17614 13059 1 12 . 1 1 19 19 THR N N 31 113.314 113.314 115.945 -2.631 17614 13060 1 12 . 1 1 19 19 THR C C 31 174.045 174.045 175.941 -1.896 17614 13061 1 12 . 1 1 19 19 THR CA C 31 62.495 62.495 64.070 -1.575 17614 13062 1 12 . 1 1 19 19 THR CB C 31 69.898 69.898 69.991 -0.093 17614 13063 1 12 . 1 1 19 19 THR H H 31 7.738 7.738 7.423 0.315 17614 13064 1 12 . 1 1 20 20 PHE N N 32 123.409 123.409 123.716 -0.307 17614 13065 1 12 . 1 1 20 20 PHE CA C 32 56.349 56.349 63.045 -6.696 17614 13066 1 12 . 1 1 20 20 PHE CB C 32 39.148 39.148 36.991 2.157 17614 13067 1 12 . 1 1 20 20 PHE H H 32 7.609 7.609 8.646 -1.037 17614 13068 1 12 . 1 1 21 21 PRO C C 33 177.831 177.831 177.759 0.072 17614 13069 1 12 . 1 1 21 21 PRO CA C 33 62.656 62.656 65.261 -2.605 17614 13070 1 12 . 1 1 21 21 PRO CB C 33 34.762 34.762 31.135 3.627 17614 13071 1 12 . 1 1 22 22 LEU N N 34 124.503 124.503 116.994 7.509 17614 13072 1 12 . 1 1 22 22 LEU C C 34 176.298 176.298 178.294 -1.996 17614 13073 1 12 . 1 1 22 22 LEU CA C 34 55.545 55.545 57.903 -2.358 17614 13074 1 12 . 1 1 22 22 LEU CB C 34 43.287 43.287 41.717 1.570 17614 13075 1 12 . 1 1 22 22 LEU H H 34 8.659 8.659 7.323 1.336 17614 13076 1 12 . 1 1 23 23 ASP N N 35 121.663 121.663 118.155 3.508 17614 13077 1 12 . 1 1 23 23 ASP C C 35 177.152 177.152 178.077 -0.925 17614 13078 1 12 . 1 1 23 23 ASP CA C 35 54.326 54.326 57.236 -2.909 17614 13079 1 12 . 1 1 23 23 ASP CB C 35 41.154 41.154 40.165 0.989 17614 13080 1 12 . 1 1 23 23 ASP H H 35 8.236 8.236 7.899 0.337 17614 13081 1 12 . 1 1 24 24 THR N N 36 115.977 115.977 111.172 4.805 17614 13082 1 12 . 1 1 24 24 THR C C 36 177.088 177.088 176.474 0.614 17614 13083 1 12 . 1 1 24 24 THR CA C 36 64.868 64.868 65.498 -0.630 17614 13084 1 12 . 1 1 24 24 THR CB C 36 69.053 69.053 68.842 0.211 17614 13085 1 12 . 1 1 24 24 THR H H 36 8.127 8.127 7.886 0.241 17614 13086 1 12 . 1 1 25 25 ALA N N 37 125.063 125.063 124.133 0.930 17614 13087 1 12 . 1 1 25 25 ALA C C 37 179.143 179.143 179.440 -0.297 17614 13088 1 12 . 1 1 25 25 ALA CA C 37 55.234 55.234 55.102 0.132 17614 13089 1 12 . 1 1 25 25 ALA CB C 37 18.735 18.735 18.492 0.243 17614 13090 1 12 . 1 1 25 25 ALA H H 37 8.042 8.042 7.850 0.192 17614 13091 1 12 . 1 1 26 26 LYS N N 38 117.827 117.827 118.686 -0.859 17614 13092 1 12 . 1 1 26 26 LYS C C 38 178.239 178.239 179.178 -0.939 17614 13093 1 12 . 1 1 26 26 LYS CA C 38 58.861 58.861 58.763 0.098 17614 13094 1 12 . 1 1 26 26 LYS CB C 38 32.724 32.724 31.939 0.785 17614 13095 1 12 . 1 1 26 26 LYS H H 38 7.759 7.759 7.537 0.222 17614 13096 1 12 . 1 1 27 27 VAL N N 39 118.955 118.955 120.294 -1.339 17614 13097 1 12 . 1 1 27 27 VAL C C 39 177.892 177.892 177.946 -0.054 17614 13098 1 12 . 1 1 27 27 VAL CA C 39 65.478 65.478 65.462 0.016 17614 13099 1 12 . 1 1 27 27 VAL CB C 39 34.675 34.675 31.725 2.950 17614 13100 1 12 . 1 1 27 27 VAL H H 39 7.554 7.554 7.606 -0.052 17614 13101 1 12 . 1 1 28 28 ARG N N 40 119.922 119.922 119.769 0.153 17614 13102 1 12 . 1 1 28 28 ARG C C 40 178.391 178.391 178.775 -0.384 17614 13103 1 12 . 1 1 28 28 ARG CA C 40 59.648 59.648 58.035 1.613 17614 13104 1 12 . 1 1 28 28 ARG CB C 40 29.933 29.933 29.964 -0.031 17614 13105 1 12 . 1 1 28 28 ARG H H 40 7.794 7.794 7.484 0.310 17614 13106 1 12 . 1 1 29 29 LEU N N 41 118.720 118.720 121.257 -2.537 17614 13107 1 12 . 1 1 29 29 LEU CA C 41 54.749 54.749 55.550 -0.801 17614 13108 1 12 . 1 1 29 29 LEU CB C 41 40.429 40.429 40.910 -0.481 17614 13109 1 12 . 1 1 29 29 LEU H H 41 7.534 7.534 7.694 -0.160 17614 13110 1 12 . 1 1 37 37 GLY C C 49 174.779 174.779 175.101 -0.322 17614 13111 1 12 . 1 1 38 38 LEU N N 50 123.029 123.029 118.735 4.294 17614 13112 1 12 . 1 1 38 38 LEU C C 50 178.482 178.482 177.725 0.757 17614 13113 1 12 . 1 1 38 38 LEU CA C 50 56.765 56.765 57.750 -0.985 17614 13114 1 12 . 1 1 38 38 LEU CB C 50 41.673 41.673 41.065 0.608 17614 13115 1 12 . 1 1 38 38 LEU H H 50 8.113 8.113 7.865 0.248 17614 13116 1 12 . 1 1 39 39 VAL N N 51 118.714 118.714 120.257 -1.543 17614 13117 1 12 . 1 1 39 39 VAL C C 51 178.032 178.032 178.810 -0.778 17614 13118 1 12 . 1 1 39 39 VAL CA C 51 66.037 66.037 66.277 -0.240 17614 13119 1 12 . 1 1 39 39 VAL CB C 51 30.763 30.763 30.801 -0.038 17614 13120 1 12 . 1 1 39 39 VAL H H 51 7.974 7.974 8.040 -0.066 17614 13121 1 12 . 1 1 40 40 ARG N N 52 121.569 121.569 118.223 3.346 17614 13122 1 12 . 1 1 40 40 ARG CA C 52 59.167 59.167 58.802 0.365 17614 13123 1 12 . 1 1 40 40 ARG CB C 52 29.437 29.437 29.869 -0.432 17614 13124 1 12 . 1 1 40 40 ARG H H 52 8.231 8.231 7.880 0.351 17614 13125 1 12 . 1 1 41 41 THR C C 53 175.108 175.108 174.411 0.697 17614 13126 1 12 . 1 1 41 41 THR H H 53 7.948 7.948 7.397 0.551 17614 13127 1 12 . 1 1 42 42 ALA N N 54 121.823 121.823 123.429 -1.606 17614 13128 1 12 . 1 1 42 42 ALA C C 54 174.922 174.922 176.327 -1.405 17614 13129 1 12 . 1 1 42 42 ALA CA C 54 50.101 50.101 51.224 -1.123 17614 13130 1 12 . 1 1 42 42 ALA CB C 54 18.950 18.950 19.834 -0.884 17614 13131 1 12 . 1 1 42 42 ALA H H 54 7.792 7.792 7.904 -0.112 17614 13132 1 12 . 1 1 43 43 ALA N N 55 113.986 113.986 125.660 -11.674 17614 13133 1 12 . 1 1 43 43 ALA C C 55 178.007 178.007 177.460 0.547 17614 13134 1 12 . 1 1 43 43 ALA CA C 55 53.458 53.458 54.062 -0.604 17614 13135 1 12 . 1 1 43 43 ALA CB C 55 18.809 18.809 18.732 0.077 17614 13136 1 12 . 1 1 43 43 ALA H H 55 7.333 7.333 8.580 -1.247 17614 13137 1 12 . 1 1 44 44 SER N N 56 125.425 125.425 113.402 12.023 17614 13138 1 12 . 1 1 44 44 SER C C 56 174.899 174.899 174.039 0.860 17614 13139 1 12 . 1 1 44 44 SER CA C 56 59.520 59.520 57.533 1.986 17614 13140 1 12 . 1 1 44 44 SER CB C 56 64.051 64.051 64.007 0.044 17614 13141 1 12 . 1 1 44 44 SER H H 56 7.786 7.786 7.625 0.161 17614 13142 1 12 . 1 1 45 45 ALA N N 57 118.183 118.183 121.741 -3.558 17614 13143 1 12 . 1 1 45 45 ALA CA C 57 53.783 53.783 52.689 1.094 17614 13144 1 12 . 1 1 45 45 ALA CB C 57 17.599 17.599 17.730 -0.131 17614 13145 1 12 . 1 1 45 45 ALA H H 57 8.018 8.018 8.320 -0.302 17614 13146 1 12 . 1 1 47 47 TYR C C 59 177.662 177.662 176.787 0.875 17614 13147 1 12 . 1 1 48 48 ARG N N 60 122.798 122.798 121.300 1.498 17614 13148 1 12 . 1 1 48 48 ARG C C 60 177.956 177.956 176.369 1.587 17614 13149 1 12 . 1 1 48 48 ARG CA C 60 58.711 58.711 56.922 1.789 17614 13150 1 12 . 1 1 48 48 ARG CB C 60 30.659 30.659 30.243 0.416 17614 13151 1 12 . 1 1 48 48 ARG H H 60 8.311 8.311 8.779 -0.468 17614 13152 1 12 . 1 1 49 49 GLY N N 61 109.033 109.033 107.972 1.061 17614 13153 1 12 . 1 1 49 49 GLY C C 61 176.064 176.064 175.644 0.420 17614 13154 1 12 . 1 1 49 49 GLY CA C 61 46.592 46.592 45.471 1.121 17614 13155 1 12 . 1 1 49 49 GLY H H 61 8.182 8.182 8.103 0.079 17614 13156 1 12 . 1 1 50 50 VAL N N 62 123.218 123.218 123.843 -0.625 17614 13157 1 12 . 1 1 50 50 VAL C C 62 177.540 177.540 177.413 0.127 17614 13158 1 12 . 1 1 50 50 VAL CA C 62 66.277 66.277 64.373 1.904 17614 13159 1 12 . 1 1 50 50 VAL CB C 62 32.355 32.355 31.992 0.363 17614 13160 1 12 . 1 1 50 50 VAL H H 62 8.105 8.105 8.331 -0.226 17614 13161 1 12 . 1 1 51 51 LEU N N 63 120.295 120.295 120.035 0.260 17614 13162 1 12 . 1 1 51 51 LEU C C 63 178.628 178.628 179.026 -0.398 17614 13163 1 12 . 1 1 51 51 LEU CA C 63 58.366 58.366 57.471 0.895 17614 13164 1 12 . 1 1 51 51 LEU CB C 63 41.675 41.675 40.364 1.310 17614 13165 1 12 . 1 1 51 51 LEU H H 63 8.182 8.182 8.353 -0.171 17614 13166 1 12 . 1 1 52 52 GLY N N 64 106.013 106.013 105.841 0.172 17614 13167 1 12 . 1 1 52 52 GLY C C 64 176.531 176.531 176.305 0.226 17614 13168 1 12 . 1 1 52 52 GLY CA C 64 47.765 47.765 47.374 0.391 17614 13169 1 12 . 1 1 52 52 GLY H H 64 8.102 8.102 7.769 0.333 17614 13170 1 12 . 1 1 53 53 THR N N 65 120.842 120.842 116.802 4.040 17614 13171 1 12 . 1 1 53 53 THR C C 65 176.453 176.453 176.604 -0.151 17614 13172 1 12 . 1 1 53 53 THR CA C 65 67.140 67.140 65.617 1.523 17614 13173 1 12 . 1 1 53 53 THR CB C 65 69.161 69.161 68.462 0.699 17614 13174 1 12 . 1 1 53 53 THR H H 65 7.854 7.854 7.484 0.370 17614 13175 1 12 . 1 1 54 54 ILE N N 66 122.676 122.676 122.133 0.543 17614 13176 1 12 . 1 1 54 54 ILE C C 66 177.307 177.307 177.785 -0.478 17614 13177 1 12 . 1 1 54 54 ILE CA C 66 65.832 65.832 64.655 1.177 17614 13178 1 12 . 1 1 54 54 ILE CB C 66 38.090 38.090 37.664 0.426 17614 13179 1 12 . 1 1 54 54 ILE H H 66 8.018 8.018 7.441 0.577 17614 13180 1 12 . 1 1 55 55 LEU N N 67 119.838 119.838 118.517 1.321 17614 13181 1 12 . 1 1 55 55 LEU C C 67 178.706 178.706 177.943 0.763 17614 13182 1 12 . 1 1 55 55 LEU CA C 67 58.491 58.491 58.588 -0.097 17614 13183 1 12 . 1 1 55 55 LEU CB C 67 41.387 41.387 41.125 0.262 17614 13184 1 12 . 1 1 55 55 LEU H H 67 8.291 8.291 7.478 0.813 17614 13185 1 12 . 1 1 56 56 THR N N 68 115.362 115.362 116.304 -0.942 17614 13186 1 12 . 1 1 56 56 THR C C 68 176.764 176.764 176.636 0.128 17614 13187 1 12 . 1 1 56 56 THR CA C 68 67.040 67.040 66.137 0.903 17614 13188 1 12 . 1 1 56 56 THR CB C 68 69.403 69.403 68.612 0.791 17614 13189 1 12 . 1 1 56 56 THR H H 68 7.963 7.963 7.201 0.762 17614 13190 1 12 . 1 1 57 57 MET N N 69 122.960 122.960 118.589 4.371 17614 13191 1 12 . 1 1 57 57 MET C C 69 177.153 177.153 178.119 -0.966 17614 13192 1 12 . 1 1 57 57 MET CA C 69 59.710 59.710 57.558 2.152 17614 13193 1 12 . 1 1 57 57 MET CB C 69 33.111 33.111 31.506 1.605 17614 13194 1 12 . 1 1 57 57 MET H H 69 7.977 7.977 7.604 0.373 17614 13195 1 12 . 1 1 58 58 VAL N N 70 119.558 119.558 118.326 1.232 17614 13196 1 12 . 1 1 58 58 VAL C C 70 176.841 176.841 178.040 -1.199 17614 13197 1 12 . 1 1 58 58 VAL CA C 70 66.277 66.277 65.558 0.719 17614 13198 1 12 . 1 1 58 58 VAL CB C 70 31.362 31.362 31.340 0.022 17614 13199 1 12 . 1 1 58 58 VAL H H 70 7.751 7.751 7.462 0.289 17614 13200 1 12 . 1 1 59 59 ARG N N 71 118.002 118.002 117.318 0.684 17614 13201 1 12 . 1 1 59 59 ARG C C 71 177.152 177.152 178.099 -0.947 17614 13202 1 12 . 1 1 59 59 ARG CA C 71 58.761 58.761 57.719 1.042 17614 13203 1 12 . 1 1 59 59 ARG CB C 71 30.656 30.656 29.598 1.058 17614 13204 1 12 . 1 1 59 59 ARG H H 71 7.827 7.827 7.452 0.375 17614 13205 1 12 . 1 1 60 60 THR N N 72 111.410 111.410 114.853 -3.443 17614 13206 1 12 . 1 1 60 60 THR C C 72 175.288 175.288 175.523 -0.235 17614 13207 1 12 . 1 1 60 60 THR CA C 72 64.194 64.194 65.490 -1.296 17614 13208 1 12 . 1 1 60 60 THR CB C 72 70.312 70.312 69.141 1.171 17614 13209 1 12 . 1 1 60 60 THR H H 72 7.745 7.745 7.669 0.076 17614 13210 1 12 . 1 1 61 61 GLU N N 73 120.577 120.577 118.472 2.105 17614 13211 1 12 . 1 1 61 61 GLU C C 73 177.696 177.696 175.990 1.706 17614 13212 1 12 . 1 1 61 61 GLU CA C 73 57.363 57.363 56.705 0.658 17614 13213 1 12 . 1 1 61 61 GLU CB C 73 30.927 30.927 32.277 -1.350 17614 13214 1 12 . 1 1 61 61 GLU H H 73 8.263 8.263 8.261 0.002 17614 13215 1 12 . 1 1 62 62 GLY N N 74 108.209 108.209 106.164 2.045 17614 13216 1 12 . 1 1 62 62 GLY CA C 74 45.593 45.593 44.807 0.786 17614 13217 1 12 . 1 1 62 62 GLY H H 74 7.841 7.841 7.468 0.373 17614 13218 1 12 . 1 1 63 63 PRO C C 75 177.152 177.152 178.391 -1.239 17614 13219 1 12 . 1 1 63 63 PRO CA C 75 65.652 65.652 64.510 1.142 17614 13220 1 12 . 1 1 63 63 PRO CB C 75 32.294 32.294 32.323 -0.029 17614 13221 1 12 . 1 1 64 64 ARG N N 76 118.553 118.553 117.401 1.152 17614 13222 1 12 . 1 1 64 64 ARG C C 76 177.696 177.696 178.202 -0.506 17614 13223 1 12 . 1 1 64 64 ARG CA C 76 59.785 59.785 58.119 1.666 17614 13224 1 12 . 1 1 64 64 ARG CB C 76 29.671 29.671 29.412 0.259 17614 13225 1 12 . 1 1 64 64 ARG H H 76 8.427 8.427 8.576 -0.149 17614 13226 1 12 . 1 1 65 65 SER N N 77 115.323 115.323 113.765 1.558 17614 13227 1 12 . 1 1 65 65 SER C C 77 177.230 177.230 175.637 1.593 17614 13228 1 12 . 1 1 65 65 SER CA C 77 61.318 61.318 60.416 0.902 17614 13229 1 12 . 1 1 65 65 SER CB C 77 63.281 63.281 63.135 0.146 17614 13230 1 12 . 1 1 65 65 SER H H 77 7.963 7.963 8.190 -0.227 17614 13231 1 12 . 1 1 66 66 LEU N N 78 122.598 122.598 120.890 1.708 17614 13232 1 12 . 1 1 66 66 LEU C C 78 177.696 177.696 178.022 -0.326 17614 13233 1 12 . 1 1 66 66 LEU CA C 78 57.792 57.792 56.930 0.862 17614 13234 1 12 . 1 1 66 66 LEU CB C 78 42.202 42.202 42.030 0.172 17614 13235 1 12 . 1 1 66 66 LEU H H 78 7.595 7.595 7.415 0.180 17614 13236 1 12 . 1 1 67 67 TYR N N 79 119.276 119.276 114.271 5.005 17614 13237 1 12 . 1 1 67 67 TYR C C 79 176.142 176.142 176.495 -0.353 17614 13238 1 12 . 1 1 67 67 TYR CA C 79 60.792 60.792 58.846 1.946 17614 13239 1 12 . 1 1 67 67 TYR CB C 79 38.687 38.687 37.569 1.118 17614 13240 1 12 . 1 1 67 67 TYR H H 79 7.868 7.868 7.409 0.459 17614 13241 1 12 . 1 1 68 68 ASN N N 80 117.249 117.249 116.345 0.904 17614 13242 1 12 . 1 1 68 68 ASN C C 80 178.472 178.472 175.565 2.907 17614 13243 1 12 . 1 1 68 68 ASN CA C 80 53.024 53.024 52.964 0.060 17614 13244 1 12 . 1 1 68 68 ASN CB C 80 37.946 37.946 37.889 0.057 17614 13245 1 12 . 1 1 68 68 ASN H H 80 8.374 8.374 7.629 0.745 17614 13246 1 12 . 1 1 69 69 GLY N N 81 108.575 108.575 106.435 2.140 17614 13247 1 12 . 1 1 69 69 GLY C C 81 175.521 175.521 174.607 0.914 17614 13248 1 12 . 1 1 69 69 GLY CA C 81 46.266 46.266 45.400 0.866 17614 13249 1 12 . 1 1 69 69 GLY H H 81 8.086 8.086 7.470 0.617 17614 13250 1 12 . 1 1 70 70 LEU N N 82 124.326 124.326 123.286 1.040 17614 13251 1 12 . 1 1 70 70 LEU C C 82 178.239 178.239 177.772 0.467 17614 13252 1 12 . 1 1 70 70 LEU CA C 82 58.217 58.217 57.614 0.603 17614 13253 1 12 . 1 1 70 70 LEU CB C 82 42.351 42.351 42.161 0.190 17614 13254 1 12 . 1 1 70 70 LEU H H 82 7.991 7.991 7.602 0.389 17614 13255 1 12 . 1 1 71 71 VAL N N 83 117.727 117.727 117.650 0.077 17614 13256 1 12 . 1 1 71 71 VAL C C 83 177.851 177.851 177.323 0.528 17614 13257 1 12 . 1 1 71 71 VAL CA C 83 64.113 64.113 65.864 -1.751 17614 13258 1 12 . 1 1 71 71 VAL CB C 83 31.924 31.924 30.975 0.949 17614 13259 1 12 . 1 1 71 71 VAL H H 83 8.004 8.004 7.954 0.050 17614 13260 1 12 . 1 1 72 72 ALA N N 84 121.414 121.414 121.962 -0.548 17614 13261 1 12 . 1 1 72 72 ALA C C 84 180.570 180.570 179.411 1.159 17614 13262 1 12 . 1 1 72 72 ALA CA C 84 55.031 55.031 54.410 0.621 17614 13263 1 12 . 1 1 72 72 ALA CB C 84 18.286 18.286 18.255 0.031 17614 13264 1 12 . 1 1 72 72 ALA H H 84 7.677 7.677 7.221 0.456 17614 13265 1 12 . 1 1 73 73 GLY N N 85 106.471 106.471 107.405 -0.934 17614 13266 1 12 . 1 1 73 73 GLY C C 85 175.521 175.521 176.176 -0.655 17614 13267 1 12 . 1 1 73 73 GLY CA C 85 47.191 47.191 46.642 0.549 17614 13268 1 12 . 1 1 73 73 GLY H H 85 7.963 7.963 7.602 0.361 17614 13269 1 12 . 1 1 74 74 LEU N N 86 122.326 122.326 122.191 0.135 17614 13270 1 12 . 1 1 74 74 LEU C C 86 178.239 178.239 178.956 -0.717 17614 13271 1 12 . 1 1 74 74 LEU CA C 86 57.493 57.493 57.602 -0.109 17614 13272 1 12 . 1 1 74 74 LEU CB C 86 42.202 42.202 41.183 1.019 17614 13273 1 12 . 1 1 74 74 LEU H H 86 8.100 8.100 7.423 0.677 17614 13274 1 12 . 1 1 75 75 GLN N N 87 117.736 117.736 117.517 0.219 17614 13275 1 12 . 1 1 75 75 GLN C C 87 177.340 177.340 178.005 -0.665 17614 13276 1 12 . 1 1 75 75 GLN CA C 87 57.787 57.787 58.917 -1.130 17614 13277 1 12 . 1 1 75 75 GLN CB C 87 28.942 28.942 28.125 0.817 17614 13278 1 12 . 1 1 75 75 GLN H H 87 8.004 8.004 7.889 0.115 17614 13279 1 12 . 1 1 76 76 ARG N N 88 118.107 118.107 119.078 -0.971 17614 13280 1 12 . 1 1 76 76 ARG C C 88 177.930 177.930 178.984 -1.054 17614 13281 1 12 . 1 1 76 76 ARG CA C 88 58.062 58.062 59.301 -1.239 17614 13282 1 12 . 1 1 76 76 ARG CB C 88 30.774 30.774 29.654 1.120 17614 13283 1 12 . 1 1 76 76 ARG H H 88 7.568 7.568 7.527 0.041 17614 13284 1 12 . 1 1 77 77 GLN N N 89 117.921 117.921 118.034 -0.113 17614 13285 1 12 . 1 1 77 77 GLN C C 89 177.375 177.375 178.645 -1.270 17614 13286 1 12 . 1 1 77 77 GLN CA C 89 56.838 56.838 58.721 -1.883 17614 13287 1 12 . 1 1 77 77 GLN CB C 89 29.006 29.006 28.315 0.691 17614 13288 1 12 . 1 1 77 77 GLN H H 89 7.827 7.827 7.564 0.263 17614 13289 1 12 . 1 1 78 78 MET N N 90 118.378 118.378 118.113 0.265 17614 13290 1 12 . 1 1 78 78 MET C C 90 176.365 176.365 178.717 -2.352 17614 13291 1 12 . 1 1 78 78 MET CA C 90 56.339 56.339 57.618 -1.280 17614 13292 1 12 . 1 1 78 78 MET CB C 90 33.444 33.444 31.771 1.673 17614 13293 1 12 . 1 1 78 78 MET H H 90 7.963 7.963 8.255 -0.292 17614 13294 1 12 . 1 1 79 79 SER N N 91 115.089 115.089 115.482 -0.393 17614 13295 1 12 . 1 1 79 79 SER C C 91 175.899 175.899 176.441 -0.542 17614 13296 1 12 . 1 1 79 79 SER CA C 91 58.621 58.621 61.104 -2.483 17614 13297 1 12 . 1 1 79 79 SER CB C 91 64.337 64.337 62.581 1.756 17614 13298 1 12 . 1 1 79 79 SER H H 91 7.868 7.868 7.954 -0.086 17614 13299 1 12 . 1 1 80 80 PHE N N 92 122.852 122.852 123.184 -0.332 17614 13300 1 12 . 1 1 80 80 PHE C C 92 177.375 177.375 176.746 0.629 17614 13301 1 12 . 1 1 80 80 PHE CA C 92 59.095 59.095 61.890 -2.795 17614 13302 1 12 . 1 1 80 80 PHE CB C 92 38.937 38.937 39.143 -0.206 17614 13303 1 12 . 1 1 80 80 PHE H H 92 8.332 8.332 7.543 0.789 17614 13304 1 12 . 1 1 81 81 ALA N N 93 123.258 123.258 120.079 3.179 17614 13305 1 12 . 1 1 81 81 ALA C C 93 178.628 178.628 179.238 -0.610 17614 13306 1 12 . 1 1 81 81 ALA CA C 93 54.881 54.881 54.576 0.305 17614 13307 1 12 . 1 1 81 81 ALA CB C 93 17.902 17.902 18.338 -0.436 17614 13308 1 12 . 1 1 81 81 ALA H H 93 8.223 8.223 7.786 0.437 17614 13309 1 12 . 1 1 82 82 SER N N 94 112.886 112.886 114.752 -1.866 17614 13310 1 12 . 1 1 82 82 SER C C 94 176.831 176.831 177.210 -0.379 17614 13311 1 12 . 1 1 82 82 SER CA C 94 60.319 60.319 61.159 -0.840 17614 13312 1 12 . 1 1 82 82 SER CB C 94 63.611 63.611 63.528 0.083 17614 13313 1 12 . 1 1 82 82 SER H H 94 7.977 7.977 7.766 0.210 17614 13314 1 12 . 1 1 83 83 VAL N N 95 121.854 121.854 118.056 3.798 17614 13315 1 12 . 1 1 83 83 VAL C C 95 176.220 176.220 176.555 -0.335 17614 13316 1 12 . 1 1 83 83 VAL CA C 95 64.629 64.629 65.366 -0.737 17614 13317 1 12 . 1 1 83 83 VAL CB C 95 31.328 31.328 30.900 0.428 17614 13318 1 12 . 1 1 83 83 VAL H H 95 7.581 7.581 7.854 -0.273 17614 13319 1 12 . 1 1 84 84 ARG N N 96 121.329 121.329 117.199 4.130 17614 13320 1 12 . 1 1 84 84 ARG C C 96 176.814 176.814 177.109 -0.295 17614 13321 1 12 . 1 1 84 84 ARG CA C 96 58.636 58.636 57.525 1.111 17614 13322 1 12 . 1 1 84 84 ARG CB C 96 30.672 30.672 29.566 1.106 17614 13323 1 12 . 1 1 84 84 ARG H H 96 7.936 7.936 7.267 0.669 17614 13324 1 12 . 1 1 85 85 ILE N N 97 119.194 119.194 118.291 0.903 17614 13325 1 12 . 1 1 85 85 ILE C C 97 177.152 177.152 176.250 0.902 17614 13326 1 12 . 1 1 85 85 ILE CA C 97 63.296 63.296 62.103 1.193 17614 13327 1 12 . 1 1 85 85 ILE CB C 97 38.757 38.757 38.496 0.261 17614 13328 1 12 . 1 1 85 85 ILE H H 97 7.802 7.802 7.475 0.327 17614 13329 1 12 . 1 1 86 86 GLY N N 98 109.857 109.857 107.713 2.144 17614 13330 1 12 . 1 1 86 86 GLY C C 98 176.064 176.064 174.936 1.128 17614 13331 1 12 . 1 1 86 86 GLY CA C 98 46.941 46.941 46.122 0.819 17614 13332 1 12 . 1 1 86 86 GLY H H 98 8.127 8.127 7.638 0.489 17614 13333 1 12 . 1 1 87 87 LEU N N 99 123.258 123.258 123.329 -0.071 17614 13334 1 12 . 1 1 87 87 LEU C C 99 177.856 177.856 178.695 -0.839 17614 13335 1 12 . 1 1 87 87 LEU CA C 99 58.264 58.264 56.629 1.635 17614 13336 1 12 . 1 1 87 87 LEU CB C 99 42.488 42.488 41.847 0.641 17614 13337 1 12 . 1 1 87 87 LEU H H 99 8.223 8.223 8.128 0.095 17614 13338 1 12 . 1 1 88 88 TYR N N 100 119.770 119.770 120.630 -0.860 17614 13339 1 12 . 1 1 88 88 TYR C C 100 176.997 176.997 176.837 0.160 17614 13340 1 12 . 1 1 88 88 TYR CA C 100 61.592 61.592 61.355 0.237 17614 13341 1 12 . 1 1 88 88 TYR CB C 100 38.809 38.809 38.718 0.091 17614 13342 1 12 . 1 1 88 88 TYR H H 100 8.207 8.207 7.805 0.402 17614 13343 1 12 . 1 1 89 89 ASP N N 101 118.460 118.460 117.163 1.297 17614 13344 1 12 . 1 1 89 89 ASP C C 101 178.939 178.939 178.082 0.857 17614 13345 1 12 . 1 1 89 89 ASP CA C 101 57.797 57.797 56.701 1.096 17614 13346 1 12 . 1 1 89 89 ASP CB C 101 40.498 40.498 40.746 -0.248 17614 13347 1 12 . 1 1 89 89 ASP H H 101 8.401 8.401 8.596 -0.195 17614 13348 1 12 . 1 1 90 90 SER N N 102 116.022 116.022 115.381 0.641 17614 13349 1 12 . 1 1 90 90 SER C C 102 176.005 176.005 176.476 -0.471 17614 13350 1 12 . 1 1 90 90 SER CA C 102 62.791 62.791 61.633 1.159 17614 13351 1 12 . 1 1 90 90 SER CB C 102 64.211 64.211 63.087 1.124 17614 13352 1 12 . 1 1 90 90 SER H H 102 7.854 7.854 7.701 0.153 17614 13353 1 12 . 1 1 91 91 VAL N N 103 120.844 120.844 120.322 0.522 17614 13354 1 12 . 1 1 91 91 VAL C C 103 177.307 177.307 177.499 -0.192 17614 13355 1 12 . 1 1 91 91 VAL CA C 103 66.510 66.510 64.754 1.756 17614 13356 1 12 . 1 1 91 91 VAL CB C 103 31.965 31.965 31.368 0.597 17614 13357 1 12 . 1 1 91 91 VAL H H 103 7.926 7.926 7.324 0.602 17614 13358 1 12 . 1 1 92 92 LYS N N 104 120.468 120.468 119.386 1.082 17614 13359 1 12 . 1 1 92 92 LYS C C 104 178.861 178.861 178.836 0.025 17614 13360 1 12 . 1 1 92 92 LYS CA C 104 60.184 60.184 59.101 1.083 17614 13361 1 12 . 1 1 92 92 LYS CB C 104 31.979 31.979 31.646 0.333 17614 13362 1 12 . 1 1 92 92 LYS H H 104 8.127 8.127 7.651 0.476 17614 13363 1 12 . 1 1 93 93 GLN N N 105 118.386 118.386 117.243 1.143 17614 13364 1 12 . 1 1 93 93 GLN C C 105 177.540 177.540 177.417 0.123 17614 13365 1 12 . 1 1 93 93 GLN CA C 105 58.786 58.786 57.331 1.455 17614 13366 1 12 . 1 1 93 93 GLN CB C 105 28.377 28.377 28.777 -0.400 17614 13367 1 12 . 1 1 93 93 GLN H H 105 7.841 7.841 7.653 0.188 17614 13368 1 12 . 1 1 94 94 PHE N N 106 119.471 119.471 118.062 1.409 17614 13369 1 12 . 1 1 94 94 PHE C C 106 176.531 176.531 175.313 1.218 17614 13370 1 12 . 1 1 94 94 PHE CA C 106 60.593 60.593 59.686 0.907 17614 13371 1 12 . 1 1 94 94 PHE CB C 106 39.459 39.459 39.190 0.269 17614 13372 1 12 . 1 1 94 94 PHE H H 106 7.772 7.772 7.524 0.248 17614 13373 1 12 . 1 1 95 95 TYR N N 107 118.288 118.288 115.048 3.240 17614 13374 1 12 . 1 1 95 95 TYR C C 107 176.220 176.220 177.019 -0.799 17614 13375 1 12 . 1 1 95 95 TYR CA C 107 60.543 60.543 58.402 2.141 17614 13376 1 12 . 1 1 95 95 TYR CB C 107 38.819 38.819 40.274 -1.455 17614 13377 1 12 . 1 1 95 95 TYR H H 107 8.045 8.045 7.287 0.758 17614 13378 1 12 . 1 1 96 96 THR N N 108 113.383 113.383 110.400 2.983 17614 13379 1 12 . 1 1 96 96 THR C C 108 175.288 175.288 176.061 -0.773 17614 13380 1 12 . 1 1 96 96 THR CA C 108 64.094 64.094 61.638 2.456 17614 13381 1 12 . 1 1 96 96 THR CB C 108 69.986 69.986 68.234 1.752 17614 13382 1 12 . 1 1 96 96 THR H H 108 7.868 7.868 7.942 -0.074 17614 13383 1 12 . 1 1 101 101 HIS C C 113 173.413 173.413 174.476 -1.063 17614 13384 1 12 . 1 1 101 101 HIS H H 113 7.968 7.968 8.543 -0.575 17614 13385 1 12 . 1 1 102 102 ALA N N 114 119.456 119.456 122.644 -3.188 17614 13386 1 12 . 1 1 102 102 ALA C C 114 177.851 177.851 176.286 1.565 17614 13387 1 12 . 1 1 102 102 ALA CA C 114 53.283 53.283 52.540 0.743 17614 13388 1 12 . 1 1 102 102 ALA CB C 114 19.362 19.362 19.080 0.282 17614 13389 1 12 . 1 1 102 102 ALA H H 114 8.433 8.433 7.971 0.462 17614 13390 1 12 . 1 1 103 103 GLY N N 115 108.484 108.484 105.262 3.222 17614 13391 1 12 . 1 1 103 103 GLY C C 115 174.822 174.822 175.000 -0.178 17614 13392 1 12 . 1 1 103 103 GLY CA C 115 45.968 45.968 45.211 0.757 17614 13393 1 12 . 1 1 103 103 GLY H H 115 8.250 8.250 8.143 0.107 17614 13394 1 12 . 1 1 104 104 ILE N N 116 121.139 121.139 121.728 -0.589 17614 13395 1 12 . 1 1 104 104 ILE C C 116 176.841 176.841 177.193 -0.352 17614 13396 1 12 . 1 1 104 104 ILE CA C 116 63.160 63.160 63.872 -0.712 17614 13397 1 12 . 1 1 104 104 ILE CB C 116 38.853 38.853 37.630 1.222 17614 13398 1 12 . 1 1 104 104 ILE H H 116 8.127 8.127 8.218 -0.091 17614 13399 1 12 . 1 1 105 105 GLY N N 117 110.863 110.863 106.975 3.888 17614 13400 1 12 . 1 1 105 105 GLY C C 117 174.588 174.588 176.336 -1.748 17614 13401 1 12 . 1 1 105 105 GLY CA C 117 46.791 46.791 47.332 -0.541 17614 13402 1 12 . 1 1 105 105 GLY H H 117 8.509 8.509 8.416 0.092 17614 13403 1 12 . 1 1 106 106 SER N N 118 116.069 116.069 118.181 -2.112 17614 13404 1 12 . 1 1 106 106 SER C C 118 175.754 175.754 176.969 -1.215 17614 13405 1 12 . 1 1 106 106 SER CA C 118 60.319 60.319 61.177 -0.858 17614 13406 1 12 . 1 1 106 106 SER CB C 118 63.864 63.864 62.869 0.995 17614 13407 1 12 . 1 1 106 106 SER H H 118 7.991 7.991 8.001 -0.010 17614 13408 1 12 . 1 1 107 107 ARG N N 119 122.134 122.134 120.669 1.465 17614 13409 1 12 . 1 1 107 107 ARG C C 119 178.228 178.228 178.813 -0.585 17614 13410 1 12 . 1 1 107 107 ARG CA C 119 57.787 57.787 58.801 -1.014 17614 13411 1 12 . 1 1 107 107 ARG CB C 119 30.549 30.549 29.781 0.768 17614 13412 1 12 . 1 1 107 107 ARG H H 119 7.963 7.963 8.666 -0.703 17614 13413 1 12 . 1 1 108 108 LEU N N 120 120.403 120.403 120.593 -0.190 17614 13414 1 12 . 1 1 108 108 LEU C C 120 177.230 177.230 179.364 -2.134 17614 13415 1 12 . 1 1 108 108 LEU CA C 120 57.967 57.967 58.146 -0.179 17614 13416 1 12 . 1 1 108 108 LEU CB C 120 42.146 42.146 41.568 0.578 17614 13417 1 12 . 1 1 108 108 LEU H H 120 7.914 7.914 7.877 0.037 17614 13418 1 12 . 1 1 109 109 LEU N N 121 118.960 118.960 120.793 -1.833 17614 13419 1 12 . 1 1 109 109 LEU C C 121 177.152 177.152 178.477 -1.325 17614 13420 1 12 . 1 1 109 109 LEU CA C 121 55.495 55.495 58.053 -2.558 17614 13421 1 12 . 1 1 109 109 LEU CB C 121 42.238 42.238 41.760 0.478 17614 13422 1 12 . 1 1 109 109 LEU H H 121 7.718 7.718 8.511 -0.793 17614 13423 1 12 . 1 1 110 110 ALA N N 122 123.063 123.063 121.168 1.895 17614 13424 1 12 . 1 1 110 110 ALA C C 122 178.317 178.317 179.885 -1.568 17614 13425 1 12 . 1 1 110 110 ALA CA C 122 53.358 53.358 55.754 -2.396 17614 13426 1 12 . 1 1 110 110 ALA CB C 122 19.218 19.218 18.236 0.982 17614 13427 1 12 . 1 1 110 110 ALA H H 122 7.745 7.745 9.122 -1.377 17614 13428 1 12 . 1 1 111 111 GLY N N 123 107.843 107.843 106.813 1.030 17614 13429 1 12 . 1 1 111 111 GLY C C 123 176.912 176.912 176.562 0.350 17614 13430 1 12 . 1 1 111 111 GLY CA C 123 45.943 45.943 47.097 -1.155 17614 13431 1 12 . 1 1 111 111 GLY H H 123 8.113 8.113 8.937 -0.824 17614 13432 1 12 . 1 1 112 112 SER N N 124 116.105 116.105 118.183 -2.078 17614 13433 1 12 . 1 1 112 112 SER C C 124 175.574 175.574 176.748 -1.174 17614 13434 1 12 . 1 1 112 112 SER CA C 124 59.145 59.145 61.832 -2.687 17614 13435 1 12 . 1 1 112 112 SER CB C 124 64.211 64.211 63.172 1.039 17614 13436 1 12 . 1 1 112 112 SER H H 124 8.109 8.109 8.556 -0.447 17614 13437 1 12 . 1 1 113 113 THR N N 125 116.069 116.069 118.273 -2.204 17614 13438 1 12 . 1 1 113 113 THR C C 125 176.055 176.055 176.824 -0.769 17614 13439 1 12 . 1 1 113 113 THR CA C 125 66.921 66.921 66.609 0.312 17614 13440 1 12 . 1 1 113 113 THR CB C 125 69.682 69.682 68.908 0.774 17614 13441 1 12 . 1 1 113 113 THR H H 125 8.086 8.086 8.481 -0.395 17614 13442 1 12 . 1 1 114 114 THR N N 126 115.439 115.439 116.126 -0.687 17614 13443 1 12 . 1 1 114 114 THR C C 126 177.443 177.443 176.776 0.667 17614 13444 1 12 . 1 1 114 114 THR CA C 126 65.285 65.285 66.048 -0.763 17614 13445 1 12 . 1 1 114 114 THR CB C 126 68.364 68.364 67.921 0.443 17614 13446 1 12 . 1 1 114 114 THR H H 126 7.977 7.977 8.666 -0.689 17614 13447 1 12 . 1 1 115 115 GLY N N 127 115.453 115.453 109.286 6.167 17614 13448 1 12 . 1 1 115 115 GLY C C 127 174.215 174.215 175.182 -0.967 17614 13449 1 12 . 1 1 115 115 GLY CA C 127 46.117 46.117 46.654 -0.537 17614 13450 1 12 . 1 1 115 115 GLY H H 127 8.168 8.168 8.266 -0.098 17614 13451 1 12 . 1 1 116 116 ALA N N 128 123.952 123.952 124.602 -0.650 17614 13452 1 12 . 1 1 116 116 ALA C C 128 178.162 178.162 179.291 -1.129 17614 13453 1 12 . 1 1 116 116 ALA CA C 128 53.349 53.349 54.799 -1.450 17614 13454 1 12 . 1 1 116 116 ALA CB C 128 19.099 19.099 18.502 0.597 17614 13455 1 12 . 1 1 116 116 ALA H H 128 7.919 7.919 7.537 0.382 17614 13456 1 12 . 1 1 117 117 LEU N N 129 120.025 120.025 119.281 0.744 17614 13457 1 12 . 1 1 117 117 LEU C C 129 177.949 177.949 178.852 -0.903 17614 13458 1 12 . 1 1 117 117 LEU CA C 129 56.019 56.019 57.065 -1.046 17614 13459 1 12 . 1 1 117 117 LEU CB C 129 42.340 42.340 40.876 1.464 17614 13460 1 12 . 1 1 117 117 LEU H H 129 7.936 7.936 7.763 0.173 17614 13461 1 12 . 1 1 118 118 ALA N N 130 123.402 123.402 121.191 2.211 17614 13462 1 12 . 1 1 118 118 ALA C C 130 177.929 177.929 179.673 -1.744 17614 13463 1 12 . 1 1 118 118 ALA CA C 130 53.283 53.283 55.227 -1.944 17614 13464 1 12 . 1 1 118 118 ALA CB C 130 18.964 18.964 18.413 0.551 17614 13465 1 12 . 1 1 118 118 ALA H H 130 7.868 7.868 8.267 -0.399 17614 13466 1 12 . 1 1 119 119 VAL N N 131 118.111 118.111 115.202 2.909 17614 13467 1 12 . 1 1 119 119 VAL C C 131 176.025 176.025 177.331 -1.306 17614 13468 1 12 . 1 1 119 119 VAL CA C 131 63.180 63.180 64.712 -1.532 17614 13469 1 12 . 1 1 119 119 VAL CB C 131 32.898 32.898 30.339 2.559 17614 13470 1 12 . 1 1 119 119 VAL H H 131 7.636 7.636 7.999 -0.363 17614 13471 1 12 . 1 1 120 120 ALA N N 132 124.047 124.047 122.984 1.063 17614 13472 1 12 . 1 1 120 120 ALA C C 132 179.008 179.008 178.597 0.411 17614 13473 1 12 . 1 1 120 120 ALA CA C 132 53.707 53.707 54.463 -0.756 17614 13474 1 12 . 1 1 120 120 ALA CB C 132 19.150 19.150 18.716 0.434 17614 13475 1 12 . 1 1 120 120 ALA H H 132 7.911 7.911 7.575 0.336 17614 13476 1 12 . 1 1 121 121 VAL N N 133 113.349 113.349 117.539 -4.190 17614 13477 1 12 . 1 1 121 121 VAL C C 133 175.527 175.527 175.780 -0.253 17614 13478 1 12 . 1 1 121 121 VAL CA C 133 64.115 64.115 63.303 0.811 17614 13479 1 12 . 1 1 121 121 VAL CB C 133 31.832 31.832 32.600 -0.768 17614 13480 1 12 . 1 1 121 121 VAL H H 133 7.094 7.094 7.517 -0.423 17614 13481 1 12 . 1 1 122 122 ALA N N 134 123.224 123.224 119.728 3.496 17614 13482 1 12 . 1 1 122 122 ALA CA C 134 55.493 55.493 51.537 3.956 17614 13483 1 12 . 1 1 122 122 ALA H H 134 7.586 7.586 7.448 0.138 17614 13484 1 12 . 1 1 124 124 PRO C C 136 177.074 177.074 178.594 -1.520 17614 13485 1 12 . 1 1 125 125 THR N N 137 113.281 113.281 113.747 -0.466 17614 13486 1 12 . 1 1 125 125 THR C C 137 174.485 174.485 176.572 -2.087 17614 13487 1 12 . 1 1 125 125 THR CA C 137 64.496 64.496 66.847 -2.351 17614 13488 1 12 . 1 1 125 125 THR CB C 137 69.997 69.997 68.343 1.654 17614 13489 1 12 . 1 1 125 125 THR H H 137 7.963 7.963 8.160 -0.197 17614 13490 1 12 . 1 1 126 126 ASP N N 138 122.770 122.770 121.579 1.191 17614 13491 1 12 . 1 1 126 126 ASP C C 138 178.458 178.458 178.717 -0.259 17614 13492 1 12 . 1 1 126 126 ASP CA C 138 56.776 56.776 57.394 -0.618 17614 13493 1 12 . 1 1 126 126 ASP CB C 138 41.023 41.023 40.483 0.540 17614 13494 1 12 . 1 1 126 126 ASP H H 138 8.094 8.094 7.713 0.381 17614 13495 1 12 . 1 1 127 127 VAL N N 139 119.931 119.931 116.938 2.993 17614 13496 1 12 . 1 1 127 127 VAL C C 139 177.502 177.502 177.811 -0.309 17614 13497 1 12 . 1 1 127 127 VAL CA C 139 66.455 66.455 65.948 0.507 17614 13498 1 12 . 1 1 127 127 VAL CB C 139 32.804 32.804 31.630 1.174 17614 13499 1 12 . 1 1 127 127 VAL H H 139 7.753 7.753 7.669 0.084 17614 13500 1 12 . 1 1 128 128 VAL N N 140 120.539 120.539 120.786 -0.247 17614 13501 1 12 . 1 1 128 128 VAL C C 140 176.232 176.232 177.607 -1.375 17614 13502 1 12 . 1 1 128 128 VAL CA C 140 66.770 66.770 66.410 0.360 17614 13503 1 12 . 1 1 128 128 VAL CB C 140 32.086 32.086 31.677 0.409 17614 13504 1 12 . 1 1 128 128 VAL H H 140 8.295 8.295 7.894 0.401 17614 13505 1 12 . 1 1 129 129 LYS N N 141 120.122 120.122 119.877 0.245 17614 13506 1 12 . 1 1 129 129 LYS C C 141 176.120 176.120 178.981 -2.861 17614 13507 1 12 . 1 1 129 129 LYS CA C 141 55.991 55.991 60.175 -4.184 17614 13508 1 12 . 1 1 129 129 LYS CB C 141 31.712 31.712 32.039 -0.327 17614 13509 1 12 . 1 1 129 129 LYS H H 141 7.698 7.698 7.579 0.119 17614 13510 1 12 . 1 1 130 130 VAL N N 142 120.104 120.104 119.558 0.546 17614 13511 1 12 . 1 1 130 130 VAL CA C 142 63.230 63.230 66.152 -2.922 17614 13512 1 12 . 1 1 130 130 VAL H H 142 7.772 7.772 7.541 0.231 17614 13513 1 12 . 1 1 131 131 ARG C C 143 178.401 178.401 178.804 -0.403 17614 13514 1 12 . 1 1 131 131 ARG H H 143 7.999 7.999 7.710 0.289 17614 13515 1 12 . 1 1 132 132 PHE N N 144 120.445 120.445 119.689 0.756 17614 13516 1 12 . 1 1 132 132 PHE C C 144 177.856 177.856 176.375 1.481 17614 13517 1 12 . 1 1 132 132 PHE CA C 144 61.438 61.438 61.074 0.364 17614 13518 1 12 . 1 1 132 132 PHE H H 144 8.395 8.395 8.783 -0.388 17614 13519 1 12 . 1 1 133 133 GLN N N 145 124.180 124.180 118.079 6.101 17614 13520 1 12 . 1 1 133 133 GLN C C 145 174.844 174.844 177.385 -2.541 17614 13521 1 12 . 1 1 133 133 GLN CA C 145 56.414 56.414 58.111 -1.697 17614 13522 1 12 . 1 1 133 133 GLN CB C 145 30.721 30.721 29.102 1.619 17614 13523 1 12 . 1 1 133 133 GLN H H 145 8.094 8.094 7.850 0.244 17614 13524 1 12 . 1 1 134 134 ALA N N 146 120.452 120.452 120.288 0.164 17614 13525 1 12 . 1 1 134 134 ALA C C 146 177.929 177.929 177.591 0.338 17614 13526 1 12 . 1 1 134 134 ALA CA C 146 53.483 53.483 53.278 0.205 17614 13527 1 12 . 1 1 134 134 ALA CB C 146 18.431 18.431 18.953 -0.522 17614 13528 1 12 . 1 1 134 134 ALA H H 146 7.939 7.939 7.413 0.525 17614 13529 1 12 . 1 1 135 135 GLN N N 147 119.388 119.388 118.449 0.939 17614 13530 1 12 . 1 1 135 135 GLN C C 147 176.029 176.029 175.139 0.890 17614 13531 1 12 . 1 1 135 135 GLN CA C 147 56.339 56.339 56.404 -0.064 17614 13532 1 12 . 1 1 135 135 GLN CB C 147 29.444 29.444 28.348 1.096 17614 13533 1 12 . 1 1 135 135 GLN H H 147 8.072 8.072 7.503 0.569 17614 13534 1 12 . 1 1 136 136 ALA N N 148 125.199 125.199 126.689 -1.490 17614 13535 1 12 . 1 1 136 136 ALA C C 148 177.766 177.766 176.872 0.894 17614 13536 1 12 . 1 1 136 136 ALA CA C 148 53.108 53.108 52.112 0.996 17614 13537 1 12 . 1 1 136 136 ALA CB C 148 19.151 19.151 19.333 -0.182 17614 13538 1 12 . 1 1 136 136 ALA H H 148 8.055 8.055 8.441 -0.386 17614 13539 1 12 . 1 1 137 137 ARG N N 149 120.208 120.208 118.443 1.765 17614 13540 1 12 . 1 1 137 137 ARG CA C 149 56.414 56.414 56.001 0.413 17614 13541 1 12 . 1 1 137 137 ARG CB C 149 30.749 30.749 31.974 -1.225 17614 13542 1 12 . 1 1 137 137 ARG H H 149 8.018 8.018 7.548 0.470 17614 13543 1 12 . 1 1 147 147 THR C C 159 175.928 175.928 176.211 -0.283 17614 13544 1 12 . 1 1 148 148 VAL N N 160 118.321 118.321 120.929 -2.608 17614 13545 1 12 . 1 1 148 148 VAL C C 160 177.749 177.749 177.784 -0.035 17614 13546 1 12 . 1 1 148 148 VAL CA C 160 64.126 64.126 66.400 -2.274 17614 13547 1 12 . 1 1 148 148 VAL CB C 160 31.343 31.343 31.580 -0.237 17614 13548 1 12 . 1 1 148 148 VAL H H 160 8.073 8.073 7.755 0.318 17614 13549 1 12 . 1 1 149 149 GLU N N 161 122.379 122.379 119.314 3.065 17614 13550 1 12 . 1 1 149 149 GLU C C 161 178.783 178.783 178.302 0.481 17614 13551 1 12 . 1 1 149 149 GLU CA C 161 59.550 59.550 59.461 0.090 17614 13552 1 12 . 1 1 149 149 GLU CB C 161 29.597 29.597 28.690 0.907 17614 13553 1 12 . 1 1 149 149 GLU H H 161 8.204 8.204 8.296 -0.092 17614 13554 1 12 . 1 1 150 150 ALA N N 162 122.845 122.845 123.533 -0.688 17614 13555 1 12 . 1 1 150 150 ALA C C 162 179.948 179.948 179.488 0.460 17614 13556 1 12 . 1 1 150 150 ALA CA C 162 55.181 55.181 55.293 -0.112 17614 13557 1 12 . 1 1 150 150 ALA CB C 162 18.154 18.154 18.621 -0.467 17614 13558 1 12 . 1 1 150 150 ALA H H 162 7.786 7.786 8.560 -0.774 17614 13559 1 12 . 1 1 151 151 TYR N N 163 118.902 118.902 119.313 -0.411 17614 13560 1 12 . 1 1 151 151 TYR C C 163 177.273 177.273 178.200 -0.927 17614 13561 1 12 . 1 1 151 151 TYR CA C 163 61.068 61.068 62.032 -0.964 17614 13562 1 12 . 1 1 151 151 TYR CB C 163 37.898 37.898 38.733 -0.835 17614 13563 1 12 . 1 1 151 151 TYR H H 163 7.922 7.922 8.116 -0.194 17614 13564 1 12 . 1 1 152 152 LYS N N 164 119.939 119.939 117.549 2.390 17614 13565 1 12 . 1 1 152 152 LYS C C 164 178.239 178.239 179.255 -1.016 17614 13566 1 12 . 1 1 152 152 LYS CA C 164 60.309 60.309 59.066 1.243 17614 13567 1 12 . 1 1 152 152 LYS CB C 164 32.504 32.504 32.073 0.431 17614 13568 1 12 . 1 1 152 152 LYS H H 164 8.223 8.223 7.536 0.687 17614 13569 1 12 . 1 1 153 153 THR N N 165 115.262 115.262 115.240 0.022 17614 13570 1 12 . 1 1 153 153 THR C C 165 175.676 175.676 176.596 -0.920 17614 13571 1 12 . 1 1 153 153 THR CA C 165 66.516 66.516 65.774 0.742 17614 13572 1 12 . 1 1 153 153 THR CB C 165 69.367 69.367 68.710 0.657 17614 13573 1 12 . 1 1 153 153 THR H H 165 7.745 7.745 7.930 -0.185 17614 13574 1 12 . 1 1 154 154 ILE N N 166 121.571 121.571 117.280 4.291 17614 13575 1 12 . 1 1 154 154 ILE C C 166 177.307 177.307 177.179 0.128 17614 13576 1 12 . 1 1 154 154 ILE CA C 166 64.634 64.634 64.721 -0.087 17614 13577 1 12 . 1 1 154 154 ILE CB C 166 38.896 38.896 36.946 1.950 17614 13578 1 12 . 1 1 154 154 ILE H H 166 7.540 7.540 7.372 0.168 17614 13579 1 12 . 1 1 155 155 ALA N N 167 121.983 121.983 123.527 -1.544 17614 13580 1 12 . 1 1 155 155 ALA C C 167 178.395 178.395 179.990 -1.595 17614 13581 1 12 . 1 1 155 155 ALA CA C 167 54.656 54.656 54.644 0.012 17614 13582 1 12 . 1 1 155 155 ALA CB C 167 18.486 18.486 18.105 0.381 17614 13583 1 12 . 1 1 155 155 ALA H H 167 8.059 8.059 7.749 0.310 17614 13584 1 12 . 1 1 156 156 ARG N N 168 116.369 116.369 119.139 -2.770 17614 13585 1 12 . 1 1 156 156 ARG C C 168 177.307 177.307 178.421 -1.114 17614 13586 1 12 . 1 1 156 156 ARG CA C 168 58.486 58.486 58.770 -0.284 17614 13587 1 12 . 1 1 156 156 ARG CB C 168 30.930 30.930 30.116 0.814 17614 13588 1 12 . 1 1 156 156 ARG H H 168 7.690 7.690 7.783 -0.093 17614 13589 1 12 . 1 1 157 157 GLU N N 169 118.667 118.667 117.784 0.883 17614 13590 1 12 . 1 1 157 157 GLU C C 169 177.696 177.696 178.455 -0.759 17614 13591 1 12 . 1 1 157 157 GLU CA C 169 58.212 58.212 58.488 -0.276 17614 13592 1 12 . 1 1 157 157 GLU CB C 169 30.357 30.357 30.048 0.309 17614 13593 1 12 . 1 1 157 157 GLU H H 169 8.045 8.045 7.774 0.271 17614 13594 1 12 . 1 1 158 158 GLU N N 170 118.202 118.202 117.620 0.582 17614 13595 1 12 . 1 1 158 158 GLU C C 170 177.878 177.878 177.054 0.824 17614 13596 1 12 . 1 1 158 158 GLU CA C 170 57.363 57.363 57.077 0.286 17614 13597 1 12 . 1 1 158 158 GLU CB C 170 31.277 31.277 30.925 0.352 17614 13598 1 12 . 1 1 158 158 GLU H H 170 8.550 8.550 8.308 0.242 17614 13599 1 12 . 1 1 159 159 GLY N N 171 108.941 108.941 107.190 1.751 17614 13600 1 12 . 1 1 159 159 GLY C C 171 174.433 174.433 174.780 -0.347 17614 13601 1 12 . 1 1 159 159 GLY CA C 171 45.193 45.193 44.561 0.632 17614 13602 1 12 . 1 1 159 159 GLY H H 171 7.881 7.881 7.699 0.182 17614 13603 1 12 . 1 1 160 160 ILE N N 172 120.842 120.842 121.264 -0.422 17614 13604 1 12 . 1 1 160 160 ILE C C 172 176.997 176.997 177.704 -0.707 17614 13605 1 12 . 1 1 160 160 ILE CA C 172 63.810 63.810 63.201 0.609 17614 13606 1 12 . 1 1 160 160 ILE CB C 172 38.516 38.516 37.000 1.516 17614 13607 1 12 . 1 1 160 160 ILE H H 172 8.550 8.550 8.472 0.078 17614 13608 1 12 . 1 1 161 161 ARG N N 173 119.480 119.480 118.792 0.688 17614 13609 1 12 . 1 1 161 161 ARG C C 173 178.084 178.084 178.816 -0.732 17614 13610 1 12 . 1 1 161 161 ARG CA C 173 58.711 58.711 58.653 0.058 17614 13611 1 12 . 1 1 161 161 ARG CB C 173 29.796 29.796 29.260 0.536 17614 13612 1 12 . 1 1 161 161 ARG H H 173 8.277 8.277 8.537 -0.260 17614 13613 1 12 . 1 1 162 162 GLY N N 174 106.379 106.379 106.566 -0.187 17614 13614 1 12 . 1 1 162 162 GLY C C 174 175.210 175.210 176.227 -1.017 17614 13615 1 12 . 1 1 162 162 GLY CA C 174 46.767 46.767 46.464 0.303 17614 13616 1 12 . 1 1 162 162 GLY H H 174 7.690 7.690 7.843 -0.153 17614 13617 1 12 . 1 1 163 163 LEU N N 175 120.664 120.664 121.698 -1.034 17614 13618 1 12 . 1 1 163 163 LEU C C 175 177.971 177.971 178.933 -0.962 17614 13619 1 12 . 1 1 163 163 LEU CA C 175 57.104 57.104 56.675 0.429 17614 13620 1 12 . 1 1 163 163 LEU CB C 175 42.559 42.559 42.339 0.220 17614 13621 1 12 . 1 1 163 163 LEU H H 175 7.554 7.554 7.203 0.351 17614 13622 1 12 . 1 1 164 164 TRP N N 176 117.031 117.031 118.578 -1.547 17614 13623 1 12 . 1 1 164 164 TRP C C 176 176.987 176.987 177.234 -0.247 17614 13624 1 12 . 1 1 164 164 TRP CA C 176 57.672 57.672 59.057 -1.385 17614 13625 1 12 . 1 1 164 164 TRP CB C 176 29.796 29.796 28.770 1.026 17614 13626 1 12 . 1 1 164 164 TRP H H 176 7.499 7.499 8.122 -0.623 17614 13627 1 12 . 1 1 165 165 LYS N N 177 120.567 120.567 119.083 1.484 17614 13628 1 12 . 1 1 165 165 LYS C C 177 177.152 177.152 177.569 -0.417 17614 13629 1 12 . 1 1 165 165 LYS CA C 177 57.712 57.712 59.687 -1.975 17614 13630 1 12 . 1 1 165 165 LYS CB C 177 32.890 32.890 32.167 0.723 17614 13631 1 12 . 1 1 165 165 LYS H H 177 7.595 7.595 7.381 0.214 17614 13632 1 12 . 1 1 166 166 GLY N N 178 108.667 108.667 103.712 4.955 17614 13633 1 12 . 1 1 166 166 GLY C C 178 174.045 174.045 175.702 -1.657 17614 13634 1 12 . 1 1 166 166 GLY CA C 178 45.893 45.893 45.544 0.349 17614 13635 1 12 . 1 1 166 166 GLY H H 178 7.881 7.881 7.966 -0.085 17614 13636 1 12 . 1 1 167 167 THR N N 179 115.080 115.080 116.736 -1.656 17614 13637 1 12 . 1 1 167 167 THR C C 179 175.192 175.192 176.219 -1.027 17614 13638 1 12 . 1 1 167 167 THR CA C 179 66.521 66.521 66.323 0.198 17614 13639 1 12 . 1 1 167 167 THR CB C 179 70.079 70.079 67.465 2.614 17614 13640 1 12 . 1 1 167 167 THR H H 179 7.622 7.622 7.633 -0.011 17614 13641 1 12 . 1 1 168 168 SER N N 180 117.754 117.754 117.241 0.513 17614 13642 1 12 . 1 1 168 168 SER CA C 180 63.123 63.123 63.936 -0.813 17614 13643 1 12 . 1 1 168 168 SER CB C 180 62.045 62.045 61.730 0.314 17614 13644 1 12 . 1 1 168 168 SER H H 180 8.195 8.195 7.721 0.474 17614 13645 1 12 . 1 1 170 170 ASN C C 182 177.348 177.348 177.749 -0.401 17614 13646 1 12 . 1 1 171 171 VAL N N 183 118.118 118.118 120.141 -2.023 17614 13647 1 12 . 1 1 171 171 VAL C C 183 176.944 176.944 177.424 -0.480 17614 13648 1 12 . 1 1 171 171 VAL CA C 183 65.244 65.244 66.374 -1.130 17614 13649 1 12 . 1 1 171 171 VAL CB C 183 32.508 32.508 31.687 0.821 17614 13650 1 12 . 1 1 171 171 VAL H H 183 7.861 7.861 7.749 0.112 17614 13651 1 12 . 1 1 172 172 ALA N N 184 122.284 122.284 121.548 0.736 17614 13652 1 12 . 1 1 172 172 ALA C C 184 178.317 178.317 179.097 -0.780 17614 13653 1 12 . 1 1 172 172 ALA CA C 184 55.339 55.339 55.208 0.131 17614 13654 1 12 . 1 1 172 172 ALA CB C 184 28.230 28.230 18.097 10.133 17614 13655 1 12 . 1 1 172 172 ALA H H 184 8.097 8.097 7.545 0.552 17614 13656 1 12 . 1 1 173 173 ARG N N 185 117.321 117.321 119.227 -1.906 17614 13657 1 12 . 1 1 173 173 ARG C C 185 177.527 177.527 178.119 -0.592 17614 13658 1 12 . 1 1 173 173 ARG CA C 185 59.543 59.543 59.741 -0.198 17614 13659 1 12 . 1 1 173 173 ARG CB C 185 29.767 29.767 30.166 -0.399 17614 13660 1 12 . 1 1 173 173 ARG H H 185 7.611 7.611 8.171 -0.560 17614 13661 1 12 . 1 1 174 174 ASN N N 186 117.294 117.294 117.678 -0.384 17614 13662 1 12 . 1 1 174 174 ASN C C 186 176.599 176.599 177.172 -0.573 17614 13663 1 12 . 1 1 174 174 ASN CA C 186 56.659 56.659 56.241 0.418 17614 13664 1 12 . 1 1 174 174 ASN CB C 186 39.454 39.454 38.046 1.408 17614 13665 1 12 . 1 1 174 174 ASN H H 186 8.048 8.048 7.750 0.298 17614 13666 1 12 . 1 1 175 175 ALA N N 187 121.003 121.003 122.420 -1.417 17614 13667 1 12 . 1 1 175 175 ALA C C 187 178.713 178.713 179.785 -1.072 17614 13668 1 12 . 1 1 175 175 ALA CA C 187 55.520 55.520 54.899 0.621 17614 13669 1 12 . 1 1 175 175 ALA CB C 187 18.097 18.097 18.712 -0.615 17614 13670 1 12 . 1 1 175 175 ALA H H 187 7.322 7.322 7.500 -0.178 17614 13671 1 12 . 1 1 176 176 ILE N N 188 119.319 119.319 119.338 -0.019 17614 13672 1 12 . 1 1 176 176 ILE C C 188 176.634 176.634 177.841 -1.207 17614 13673 1 12 . 1 1 176 176 ILE CA C 188 64.225 64.225 65.394 -1.169 17614 13674 1 12 . 1 1 176 176 ILE CB C 188 37.658 37.658 37.985 -0.327 17614 13675 1 12 . 1 1 176 176 ILE H H 188 7.779 7.779 8.349 -0.570 17614 13676 1 12 . 1 1 177 177 VAL N N 189 117.265 117.265 120.181 -2.916 17614 13677 1 12 . 1 1 177 177 VAL C C 189 177.529 177.529 177.350 0.179 17614 13678 1 12 . 1 1 177 177 VAL CA C 189 65.562 65.562 67.096 -1.534 17614 13679 1 12 . 1 1 177 177 VAL CB C 189 31.407 31.407 31.889 -0.482 17614 13680 1 12 . 1 1 177 177 VAL H H 189 7.776 7.776 8.158 -0.382 17614 13681 1 12 . 1 1 178 178 ASN N N 190 118.736 118.736 118.043 0.693 17614 13682 1 12 . 1 1 178 178 ASN C C 190 176.476 176.476 177.300 -0.824 17614 13683 1 12 . 1 1 178 178 ASN CA C 190 56.813 56.813 57.343 -0.530 17614 13684 1 12 . 1 1 178 178 ASN CB C 190 38.268 38.268 38.025 0.243 17614 13685 1 12 . 1 1 178 178 ASN H H 190 7.800 7.800 7.735 0.065 17614 13686 1 12 . 1 1 179 179 CYS N N 191 120.152 120.152 119.479 0.673 17614 13687 1 12 . 1 1 179 179 CYS C C 191 175.831 175.831 176.099 -0.268 17614 13688 1 12 . 1 1 179 179 CYS CA C 191 60.293 60.293 63.469 -3.176 17614 13689 1 12 . 1 1 179 179 CYS CB C 191 41.566 41.566 27.140 14.426 17614 13690 1 12 . 1 1 179 179 CYS H H 191 7.784 7.784 8.042 -0.258 17614 13691 1 12 . 1 1 180 180 ALA N N 192 121.963 121.963 121.481 0.482 17614 13692 1 12 . 1 1 180 180 ALA C C 192 178.395 178.395 179.024 -0.629 17614 13693 1 12 . 1 1 180 180 ALA CA C 192 55.280 55.280 55.093 0.187 17614 13694 1 12 . 1 1 180 180 ALA CB C 192 18.008 18.008 18.054 -0.046 17614 13695 1 12 . 1 1 180 180 ALA H H 192 8.141 8.141 8.585 -0.444 17614 13696 1 12 . 1 1 181 181 GLU N N 193 114.548 114.548 120.474 -5.926 17614 13697 1 12 . 1 1 181 181 GLU C C 193 176.764 176.764 178.819 -2.055 17614 13698 1 12 . 1 1 181 181 GLU CA C 193 58.262 58.262 58.987 -0.725 17614 13699 1 12 . 1 1 181 181 GLU CB C 193 29.342 29.342 29.536 -0.194 17614 13700 1 12 . 1 1 181 181 GLU H H 193 7.595 7.595 8.438 -0.843 17614 13701 1 12 . 1 1 182 182 LEU N N 194 117.659 117.659 120.807 -3.148 17614 13702 1 12 . 1 1 182 182 LEU C C 194 176.904 176.904 178.833 -1.929 17614 13703 1 12 . 1 1 182 182 LEU CA C 194 55.695 55.695 57.972 -2.277 17614 13704 1 12 . 1 1 182 182 LEU CB C 194 41.655 41.655 42.035 -0.380 17614 13705 1 12 . 1 1 182 182 LEU H H 194 7.459 7.459 7.871 -0.412 17614 13706 1 12 . 1 1 183 183 VAL N N 195 117.842 117.842 114.450 3.392 17614 13707 1 12 . 1 1 183 183 VAL C C 195 177.150 177.150 177.802 -0.652 17614 13708 1 12 . 1 1 183 183 VAL CA C 195 64.054 64.054 66.217 -2.163 17614 13709 1 12 . 1 1 183 183 VAL CB C 195 31.079 31.079 31.258 -0.179 17614 13710 1 12 . 1 1 183 183 VAL H H 195 7.363 7.363 7.308 0.055 17614 13711 1 12 . 1 1 184 184 THR N N 196 122.439 122.439 114.801 7.638 17614 13712 1 12 . 1 1 184 184 THR C C 196 175.055 175.055 176.646 -1.591 17614 13713 1 12 . 1 1 184 184 THR CA C 196 65.500 65.500 65.771 -0.271 17614 13714 1 12 . 1 1 184 184 THR CB C 196 69.490 69.490 68.963 0.527 17614 13715 1 12 . 1 1 184 184 THR H H 196 7.940 7.940 7.734 0.206 17614 13716 1 12 . 1 1 185 185 TYR N N 197 122.430 122.430 122.847 -0.417 17614 13717 1 12 . 1 1 185 185 TYR C C 197 177.152 177.152 177.156 -0.004 17614 13718 1 12 . 1 1 185 185 TYR CA C 197 61.892 61.892 61.688 0.203 17614 13719 1 12 . 1 1 185 185 TYR CB C 197 38.085 38.085 38.469 -0.384 17614 13720 1 12 . 1 1 185 185 TYR H H 197 9.123 9.123 8.697 0.426 17614 13721 1 12 . 1 1 186 186 ASP N N 198 117.750 117.750 119.145 -1.395 17614 13722 1 12 . 1 1 186 186 ASP C C 198 177.696 177.696 178.255 -0.559 17614 13723 1 12 . 1 1 186 186 ASP CA C 198 57.822 57.822 57.141 0.681 17614 13724 1 12 . 1 1 186 186 ASP CB C 198 40.500 40.500 40.626 -0.126 17614 13725 1 12 . 1 1 186 186 ASP H H 198 8.263 8.263 7.940 0.323 17614 13726 1 12 . 1 1 187 187 LEU N N 199 120.698 120.698 118.054 2.644 17614 13727 1 12 . 1 1 187 187 LEU C C 199 180.104 180.104 178.309 1.795 17614 13728 1 12 . 1 1 187 187 LEU CA C 199 58.092 58.092 57.407 0.685 17614 13729 1 12 . 1 1 187 187 LEU CB C 199 42.559 42.559 41.607 0.952 17614 13730 1 12 . 1 1 187 187 LEU H H 199 7.636 7.636 7.172 0.464 17614 13731 1 12 . 1 1 188 188 ILE N N 200 121.136 121.136 119.173 1.963 17614 13732 1 12 . 1 1 188 188 ILE C C 200 176.919 176.919 178.586 -1.667 17614 13733 1 12 . 1 1 188 188 ILE CA C 200 65.482 65.482 64.736 0.746 17614 13734 1 12 . 1 1 188 188 ILE CB C 200 37.949 37.949 37.193 0.756 17614 13735 1 12 . 1 1 188 188 ILE H H 200 7.718 7.718 7.224 0.494 17614 13736 1 12 . 1 1 189 189 LYS N N 201 120.587 120.587 119.211 1.376 17614 13737 1 12 . 1 1 189 189 LYS C C 201 177.696 177.696 178.593 -0.897 17614 13738 1 12 . 1 1 189 189 LYS CA C 201 60.683 60.683 59.421 1.262 17614 13739 1 12 . 1 1 189 189 LYS CB C 201 31.809 31.809 32.022 -0.213 17614 13740 1 12 . 1 1 189 189 LYS H H 201 8.291 8.291 7.584 0.707 17614 13741 1 12 . 1 1 190 190 ASP N N 202 117.936 117.936 116.875 1.061 17614 13742 1 12 . 1 1 190 190 ASP C C 202 178.395 178.395 176.580 1.815 17614 13743 1 12 . 1 1 190 190 ASP CA C 202 57.672 57.672 56.405 1.267 17614 13744 1 12 . 1 1 190 190 ASP CB C 202 41.355 41.355 41.144 0.211 17614 13745 1 12 . 1 1 190 190 ASP H H 202 8.182 8.182 7.702 0.480 17614 13746 1 12 . 1 1 191 191 THR N N 203 115.914 115.914 113.276 2.638 17614 13747 1 12 . 1 1 191 191 THR CA C 203 61.190 61.190 61.871 -0.681 17614 13748 1 12 . 1 1 191 191 THR CB C 203 68.738 68.738 69.356 -0.618 17614 13749 1 12 . 1 1 191 191 THR H H 203 7.690 7.690 7.489 0.201 17614 13750 1 12 . 1 1 192 192 LEU C C 204 176.047 176.047 175.173 0.874 17614 13751 1 12 . 1 1 192 192 LEU H H 204 8.051 8.051 8.794 -0.743 17614 13752 1 12 . 1 1 193 193 LEU N N 205 118.768 118.768 117.732 1.036 17614 13753 1 12 . 1 1 193 193 LEU C C 205 179.871 179.871 175.442 4.429 17614 13754 1 12 . 1 1 193 193 LEU CA C 205 55.867 55.867 54.680 1.187 17614 13755 1 12 . 1 1 193 193 LEU CB C 205 41.887 41.887 41.867 0.020 17614 13756 1 12 . 1 1 193 193 LEU H H 205 7.977 7.977 7.648 0.329 17614 13757 1 12 . 1 1 194 194 LYS N N 206 119.775 119.775 121.473 -1.698 17614 13758 1 12 . 1 1 194 194 LYS C C 206 177.318 177.318 176.114 1.204 17614 13759 1 12 . 1 1 194 194 LYS CA C 206 58.461 58.461 56.691 1.770 17614 13760 1 12 . 1 1 194 194 LYS CB C 206 32.734 32.734 32.994 -0.260 17614 13761 1 12 . 1 1 194 194 LYS H H 206 7.677 7.677 8.255 -0.578 17614 13762 1 12 . 1 1 195 195 ALA N N 207 120.757 120.757 121.065 -0.308 17614 13763 1 12 . 1 1 195 195 ALA C C 207 176.531 176.531 176.125 0.406 17614 13764 1 12 . 1 1 195 195 ALA CA C 207 53.083 53.083 52.261 0.822 17614 13765 1 12 . 1 1 195 195 ALA CB C 207 18.960 18.960 18.822 0.138 17614 13766 1 12 . 1 1 195 195 ALA H H 207 7.565 7.565 7.774 -0.209 17614 13767 1 12 . 1 1 196 196 ASN N N 208 115.463 115.463 117.566 -2.103 17614 13768 1 12 . 1 1 196 196 ASN C C 208 174.822 174.822 175.026 -0.204 17614 13769 1 12 . 1 1 196 196 ASN CA C 208 54.351 54.351 53.710 0.641 17614 13770 1 12 . 1 1 196 196 ASN CB C 208 38.160 38.160 37.473 0.687 17614 13771 1 12 . 1 1 196 196 ASN H H 208 7.936 7.936 8.117 -0.181 17614 13772 1 12 . 1 1 200 200 ASP C C 212 174.735 174.735 175.688 -0.953 17614 13773 1 12 . 1 1 201 201 ASP N N 213 116.363 116.363 123.758 -7.395 17614 13774 1 12 . 1 1 201 201 ASP C C 213 175.553 175.553 177.723 -2.170 17614 13775 1 12 . 1 1 201 201 ASP CA C 213 54.890 54.890 54.623 0.267 17614 13776 1 12 . 1 1 201 201 ASP CB C 213 38.846 38.846 39.236 -0.390 17614 13777 1 12 . 1 1 201 201 ASP H H 213 8.129 8.129 8.638 -0.509 17614 13778 1 12 . 1 1 202 202 LEU N N 214 119.486 119.486 122.208 -2.722 17614 13779 1 12 . 1 1 202 202 LEU CA C 214 59.766 59.766 59.331 0.434 17614 13780 1 12 . 1 1 202 202 LEU CB C 214 39.579 39.579 39.876 -0.297 17614 13781 1 12 . 1 1 202 202 LEU H H 214 7.821 7.821 8.531 -0.710 17614 13782 1 12 . 1 1 203 203 PRO C C 215 177.971 177.971 179.102 -1.131 17614 13783 1 12 . 1 1 203 203 PRO CA C 215 65.938 65.938 65.643 0.295 17614 13784 1 12 . 1 1 203 203 PRO CB C 215 30.006 30.006 30.710 -0.704 17614 13785 1 12 . 1 1 204 204 CYS N N 216 114.211 114.211 115.711 -1.500 17614 13786 1 12 . 1 1 204 204 CYS C C 216 176.142 176.142 176.676 -0.534 17614 13787 1 12 . 1 1 204 204 CYS CA C 216 58.773 58.773 62.019 -3.246 17614 13788 1 12 . 1 1 204 204 CYS CB C 216 40.906 40.906 27.438 13.468 17614 13789 1 12 . 1 1 204 204 CYS H H 216 8.269 8.269 7.799 0.470 17614 13790 1 12 . 1 1 205 205 HIS N N 217 120.491 120.491 120.126 0.365 17614 13791 1 12 . 1 1 205 205 HIS C C 217 176.747 176.747 177.030 -0.283 17614 13792 1 12 . 1 1 205 205 HIS CA C 217 57.198 57.198 58.918 -1.720 17614 13793 1 12 . 1 1 205 205 HIS CB C 217 29.886 29.886 29.769 0.117 17614 13794 1 12 . 1 1 205 205 HIS H H 217 7.301 7.301 7.565 -0.264 17614 13795 1 12 . 1 1 206 206 PHE N N 218 120.501 120.501 119.549 0.952 17614 13796 1 12 . 1 1 206 206 PHE C C 218 176.187 176.187 177.446 -1.259 17614 13797 1 12 . 1 1 206 206 PHE CA C 218 59.045 59.045 62.087 -3.042 17614 13798 1 12 . 1 1 206 206 PHE CB C 218 38.901 38.901 39.094 -0.193 17614 13799 1 12 . 1 1 206 206 PHE H H 218 8.127 8.127 8.017 0.110 17614 13800 1 12 . 1 1 207 207 THR N N 219 112.682 112.682 115.105 -2.423 17614 13801 1 12 . 1 1 207 207 THR C C 219 175.997 175.997 176.593 -0.596 17614 13802 1 12 . 1 1 207 207 THR CA C 219 64.319 64.319 66.773 -2.454 17614 13803 1 12 . 1 1 207 207 THR CB C 219 63.282 63.282 68.596 -5.314 17614 13804 1 12 . 1 1 207 207 THR H H 219 7.977 7.977 7.770 0.207 17614 13805 1 12 . 1 1 208 208 SER N N 220 117.589 117.589 117.022 0.567 17614 13806 1 12 . 1 1 208 208 SER C C 220 175.055 175.055 176.452 -1.397 17614 13807 1 12 . 1 1 208 208 SER CA C 220 61.344 61.344 61.724 -0.380 17614 13808 1 12 . 1 1 208 208 SER CB C 220 63.440 63.440 63.209 0.231 17614 13809 1 12 . 1 1 208 208 SER H H 220 8.004 8.004 7.631 0.373 17614 13810 1 12 . 1 1 209 209 ALA N N 221 123.860 123.860 124.661 -0.801 17614 13811 1 12 . 1 1 209 209 ALA C C 221 177.618 177.618 179.000 -1.382 17614 13812 1 12 . 1 1 209 209 ALA CA C 221 53.932 53.932 54.960 -1.028 17614 13813 1 12 . 1 1 209 209 ALA CB C 221 18.891 18.891 18.176 0.715 17614 13814 1 12 . 1 1 209 209 ALA H H 221 7.704 7.704 7.540 0.164 17614 13815 1 12 . 1 1 210 210 PHE N N 222 116.073 116.073 119.560 -3.487 17614 13816 1 12 . 1 1 210 210 PHE C C 222 176.142 176.142 177.421 -1.279 17614 13817 1 12 . 1 1 210 210 PHE CA C 222 58.271 58.271 61.419 -3.148 17614 13818 1 12 . 1 1 210 210 PHE CB C 222 39.554 39.554 39.093 0.461 17614 13819 1 12 . 1 1 210 210 PHE H H 222 7.718 7.718 8.058 -0.340 17614 13820 1 12 . 1 1 211 211 GLY N N 223 108.578 108.578 106.289 2.289 17614 13821 1 12 . 1 1 211 211 GLY C C 223 173.889 173.889 175.536 -1.647 17614 13822 1 12 . 1 1 211 211 GLY CA C 223 45.993 45.993 47.039 -1.046 17614 13823 1 12 . 1 1 211 211 GLY H H 223 7.909 7.909 8.065 -0.156 17614 13824 1 12 . 1 1 212 212 ALA N N 224 123.322 123.322 124.487 -1.165 17614 13825 1 12 . 1 1 212 212 ALA C C 224 178.550 178.550 179.832 -1.282 17614 13826 1 12 . 1 1 212 212 ALA CA C 224 53.608 53.608 54.730 -1.122 17614 13827 1 12 . 1 1 212 212 ALA CB C 224 19.069 19.069 18.304 0.765 17614 13828 1 12 . 1 1 212 212 ALA H H 224 8.018 8.018 7.884 0.134 17614 13829 1 12 . 1 1 213 213 GLY N N 225 107.935 107.935 107.708 0.227 17614 13830 1 12 . 1 1 213 213 GLY C C 225 175.389 175.389 176.153 -0.764 17614 13831 1 12 . 1 1 213 213 GLY CA C 225 46.967 46.967 47.094 -0.127 17614 13832 1 12 . 1 1 213 213 GLY H H 225 8.304 8.304 8.645 -0.341 17614 13833 1 12 . 1 1 214 214 PHE N N 226 122.440 122.440 121.416 1.024 17614 13834 1 12 . 1 1 214 214 PHE C C 226 176.998 176.998 177.669 -0.671 17614 13835 1 12 . 1 1 214 214 PHE CA C 226 60.673 60.673 60.126 0.547 17614 13836 1 12 . 1 1 214 214 PHE CB C 226 38.319 38.319 38.589 -0.270 17614 13837 1 12 . 1 1 214 214 PHE H H 226 8.045 8.045 8.106 -0.061 17614 13838 1 12 . 1 1 215 215 CYS N N 227 116.562 116.562 118.290 -1.728 17614 13839 1 12 . 1 1 215 215 CYS CA C 227 61.301 61.301 62.397 -1.096 17614 13840 1 12 . 1 1 215 215 CYS CB C 227 41.286 41.286 26.465 14.821 17614 13841 1 12 . 1 1 215 215 CYS H H 227 8.016 8.016 7.743 0.273 17614 13842 1 12 . 1 1 216 216 THR C C 228 176.437 176.437 176.695 -0.258 17614 13843 1 12 . 1 1 216 216 THR H H 228 8.410 8.410 8.520 -0.110 17614 13844 1 12 . 1 1 217 217 THR N N 229 115.234 115.234 116.946 -1.712 17614 13845 1 12 . 1 1 217 217 THR C C 229 176.749 176.749 176.421 0.328 17614 13846 1 12 . 1 1 217 217 THR CA C 229 65.980 65.980 66.588 -0.608 17614 13847 1 12 . 1 1 217 217 THR CB C 229 67.443 67.443 68.584 -1.141 17614 13848 1 12 . 1 1 217 217 THR H H 229 8.188 8.188 8.317 -0.129 17614 13849 1 12 . 1 1 218 218 VAL N N 230 120.723 120.723 119.439 1.284 17614 13850 1 12 . 1 1 218 218 VAL C C 230 177.983 177.983 177.352 0.631 17614 13851 1 12 . 1 1 218 218 VAL CA C 230 66.832 66.832 65.514 1.318 17614 13852 1 12 . 1 1 218 218 VAL CB C 230 31.168 31.168 30.755 0.413 17614 13853 1 12 . 1 1 218 218 VAL H H 230 8.027 8.027 7.474 0.553 17614 13854 1 12 . 1 1 219 219 ILE N N 231 120.541 120.541 120.102 0.439 17614 13855 1 12 . 1 1 219 219 ILE C C 231 177.368 177.368 177.552 -0.184 17614 13856 1 12 . 1 1 219 219 ILE CA C 231 65.575 65.575 64.114 1.461 17614 13857 1 12 . 1 1 219 219 ILE CB C 231 37.722 37.722 37.692 0.030 17614 13858 1 12 . 1 1 219 219 ILE H H 231 8.458 8.458 7.234 1.224 17614 13859 1 12 . 1 1 220 220 ALA N N 232 122.766 122.766 121.213 1.553 17614 13860 1 12 . 1 1 220 220 ALA C C 232 178.847 178.847 179.337 -0.490 17614 13861 1 12 . 1 1 220 220 ALA CA C 232 55.252 55.252 55.032 0.220 17614 13862 1 12 . 1 1 220 220 ALA CB C 232 17.874 17.874 18.582 -0.708 17614 13863 1 12 . 1 1 220 220 ALA H H 232 8.589 8.589 7.870 0.719 17614 13864 1 12 . 1 1 221 221 SER N N 233 113.387 113.387 114.676 -1.289 17614 13865 1 12 . 1 1 221 221 SER CA C 233 62.348 62.348 62.104 0.244 17614 13866 1 12 . 1 1 221 221 SER CB C 233 61.630 61.630 61.256 0.374 17614 13867 1 12 . 1 1 221 221 SER H H 233 8.218 8.218 8.176 0.042 17614 13868 1 12 . 1 1 222 222 PRO C C 234 178.221 178.221 178.279 -0.058 17614 13869 1 12 . 1 1 223 223 VAL N N 235 116.087 116.087 117.727 -1.640 17614 13870 1 12 . 1 1 223 223 VAL C C 235 177.089 177.089 177.755 -0.666 17614 13871 1 12 . 1 1 223 223 VAL CA C 235 65.072 65.072 66.051 -0.979 17614 13872 1 12 . 1 1 223 223 VAL CB C 235 31.084 31.084 31.463 -0.379 17614 13873 1 12 . 1 1 223 223 VAL H H 235 8.142 8.142 7.387 0.755 17614 13874 1 12 . 1 1 224 224 ASP N N 236 121.556 121.556 120.098 1.458 17614 13875 1 12 . 1 1 224 224 ASP C C 236 177.422 177.422 178.640 -1.218 17614 13876 1 12 . 1 1 224 224 ASP CA C 236 57.135 57.135 56.828 0.307 17614 13877 1 12 . 1 1 224 224 ASP CB C 236 40.065 40.065 39.843 0.222 17614 13878 1 12 . 1 1 224 224 ASP H H 236 7.932 7.932 7.288 0.644 17614 13879 1 12 . 1 1 225 225 VAL N N 237 117.233 117.233 120.728 -3.495 17614 13880 1 12 . 1 1 225 225 VAL CA C 237 64.977 64.977 65.841 -0.864 17614 13881 1 12 . 1 1 225 225 VAL CB C 237 31.013 31.013 32.042 -1.029 17614 13882 1 12 . 1 1 225 225 VAL H H 237 7.710 7.710 7.843 -0.133 17614 13883 1 12 . 1 1 226 226 VAL C C 238 177.584 177.584 177.999 -0.415 17614 13884 1 12 . 1 1 226 226 VAL H H 238 7.607 7.607 7.567 0.040 17614 13885 1 12 . 1 1 227 227 LYS N N 239 120.095 120.095 119.504 0.591 17614 13886 1 12 . 1 1 227 227 LYS C C 239 178.678 178.678 178.488 0.190 17614 13887 1 12 . 1 1 227 227 LYS CA C 239 58.483 58.483 58.825 -0.342 17614 13888 1 12 . 1 1 227 227 LYS CB C 239 31.863 31.863 32.147 -0.284 17614 13889 1 12 . 1 1 227 227 LYS H H 239 7.761 7.761 7.640 0.121 17614 13890 1 12 . 1 1 228 228 THR N N 240 115.247 115.247 114.073 1.174 17614 13891 1 12 . 1 1 228 228 THR C C 240 175.093 175.093 174.966 0.127 17614 13892 1 12 . 1 1 228 228 THR CA C 240 66.458 66.458 63.864 2.594 17614 13893 1 12 . 1 1 228 228 THR CB C 240 68.011 68.011 69.275 -1.264 17614 13894 1 12 . 1 1 228 228 THR H H 240 7.761 7.761 7.546 0.215 17614 13895 1 12 . 1 1 229 229 ARG N N 241 119.633 119.633 121.163 -1.530 17614 13896 1 12 . 1 1 229 229 ARG CA C 241 57.133 57.133 57.464 -0.331 17614 13897 1 12 . 1 1 229 229 ARG CB C 241 31.218 31.218 29.981 1.237 17614 13898 1 12 . 1 1 229 229 ARG H H 241 7.383 7.383 7.341 0.042 17614 13899 1 12 . 1 1 230 230 TYR C C 242 174.956 174.956 174.339 0.617 17614 13900 1 12 . 1 1 230 230 TYR H H 242 8.699 8.699 8.158 0.541 17614 13901 1 12 . 1 1 231 231 MET N N 243 118.458 118.458 121.972 -3.514 17614 13902 1 12 . 1 1 231 231 MET C C 243 175.676 175.676 175.096 0.580 17614 13903 1 12 . 1 1 231 231 MET CA C 243 54.417 54.417 57.209 -2.792 17614 13904 1 12 . 1 1 231 231 MET H H 243 7.442 7.442 8.830 -1.388 17614 13905 1 12 . 1 1 232 232 ASN N N 244 116.369 116.369 118.678 -2.309 17614 13906 1 12 . 1 1 232 232 ASN C C 244 174.919 174.919 174.776 0.143 17614 13907 1 12 . 1 1 232 232 ASN CA C 244 59.470 59.470 52.989 6.481 17614 13908 1 12 . 1 1 232 232 ASN CB C 244 39.079 39.079 39.266 -0.187 17614 13909 1 12 . 1 1 232 232 ASN H H 244 7.772 7.772 8.395 -0.623 17614 13910 1 12 . 1 1 233 233 SER N N 245 114.568 114.568 114.651 -0.083 17614 13911 1 12 . 1 1 233 233 SER C C 245 175.695 175.695 172.437 3.258 17614 13912 1 12 . 1 1 233 233 SER CA C 245 53.852 53.852 58.377 -4.525 17614 13913 1 12 . 1 1 233 233 SER CB C 245 61.232 61.232 62.584 -1.352 17614 13914 1 12 . 1 1 233 233 SER H H 245 8.475 8.475 7.735 0.740 17614 13915 1 12 . 1 1 234 234 ALA N N 246 127.283 127.283 122.065 5.218 17614 13916 1 12 . 1 1 234 234 ALA C C 246 177.128 177.128 174.406 2.722 17614 13917 1 12 . 1 1 234 234 ALA CA C 246 56.803 56.803 52.094 4.709 17614 13918 1 12 . 1 1 234 234 ALA CB C 246 18.901 18.901 19.940 -1.039 17614 13919 1 12 . 1 1 234 234 ALA H H 246 7.929 7.929 7.865 0.064 17614 13920 1 12 . 1 1 235 235 LEU N N 247 118.112 118.112 120.423 -2.311 17614 13921 1 12 . 1 1 235 235 LEU C C 247 176.723 176.723 176.967 -0.244 17614 13922 1 12 . 1 1 235 235 LEU CA C 247 54.156 54.156 56.239 -2.083 17614 13923 1 12 . 1 1 235 235 LEU CB C 247 41.215 41.215 41.127 0.088 17614 13924 1 12 . 1 1 235 235 LEU H H 247 7.922 7.922 7.640 0.282 17614 13925 1 12 . 1 1 236 236 GLY N N 248 107.203 107.203 111.151 -3.948 17614 13926 1 12 . 1 1 236 236 GLY CA C 248 44.558 44.558 44.936 -0.378 17614 13927 1 12 . 1 1 236 236 GLY H H 248 8.318 8.318 7.922 0.396 17614 13928 1 12 . 1 1 238 238 TYR C C 250 175.942 175.942 175.961 -0.019 17614 13929 1 12 . 1 1 238 238 TYR H H 250 8.134 8.134 8.549 -0.415 17614 13930 1 12 . 1 1 239 239 HIS N N 251 123.281 123.281 117.568 5.713 17614 13931 1 12 . 1 1 239 239 HIS C C 251 174.531 174.531 175.616 -1.085 17614 13932 1 12 . 1 1 239 239 HIS CA C 251 58.931 58.931 58.101 0.830 17614 13933 1 12 . 1 1 239 239 HIS CB C 251 29.525 29.525 30.435 -0.910 17614 13934 1 12 . 1 1 239 239 HIS H H 251 8.184 8.184 7.869 0.315 17614 13935 1 12 . 1 1 240 240 SER N N 252 110.038 110.038 110.672 -0.634 17614 13936 1 12 . 1 1 240 240 SER C C 252 174.429 174.429 173.982 0.447 17614 13937 1 12 . 1 1 240 240 SER CA C 252 57.452 57.452 57.038 0.414 17614 13938 1 12 . 1 1 240 240 SER CB C 252 65.022 65.022 64.063 0.959 17614 13939 1 12 . 1 1 240 240 SER H H 252 8.010 8.010 7.805 0.205 17614 13940 1 12 . 1 1 241 241 ALA N N 253 123.034 123.034 123.331 -0.297 17614 13941 1 12 . 1 1 241 241 ALA C C 253 179.249 179.249 179.791 -0.542 17614 13942 1 12 . 1 1 241 241 ALA CA C 253 54.981 54.981 54.526 0.455 17614 13943 1 12 . 1 1 241 241 ALA CB C 253 19.069 19.069 19.006 0.063 17614 13944 1 12 . 1 1 241 241 ALA H H 253 8.034 8.034 8.438 -0.404 17614 13945 1 12 . 1 1 242 242 GLY N N 254 106.379 106.379 105.693 0.686 17614 13946 1 12 . 1 1 242 242 GLY C C 254 174.433 174.433 175.562 -1.129 17614 13947 1 12 . 1 1 242 242 GLY CA C 254 47.615 47.615 47.029 0.586 17614 13948 1 12 . 1 1 242 242 GLY H H 254 8.427 8.427 8.498 -0.071 17614 13949 1 12 . 1 1 243 243 HIS N N 255 121.119 121.119 122.078 -0.959 17614 13950 1 12 . 1 1 243 243 HIS C C 255 178.084 178.084 177.185 0.899 17614 13951 1 12 . 1 1 243 243 HIS CA C 255 60.144 60.144 59.547 0.597 17614 13952 1 12 . 1 1 243 243 HIS CB C 255 33.073 33.073 29.691 3.382 17614 13953 1 12 . 1 1 243 243 HIS H H 255 8.304 8.304 7.949 0.355 17614 13954 1 12 . 1 1 244 244 CYS N N 256 117.946 117.946 117.173 0.773 17614 13955 1 12 . 1 1 244 244 CYS C C 256 175.453 175.453 176.823 -1.370 17614 13956 1 12 . 1 1 244 244 CYS CA C 256 58.668 58.668 62.949 -4.281 17614 13957 1 12 . 1 1 244 244 CYS CB C 256 41.434 41.434 27.215 14.219 17614 13958 1 12 . 1 1 244 244 CYS H H 256 8.168 8.168 7.875 0.293 17614 13959 1 12 . 1 1 245 245 ALA N N 257 123.138 123.138 123.530 -0.392 17614 13960 1 12 . 1 1 245 245 ALA C C 257 179.489 179.489 179.497 -0.008 17614 13961 1 12 . 1 1 245 245 ALA CA C 257 54.589 54.589 55.026 -0.437 17614 13962 1 12 . 1 1 245 245 ALA CB C 257 17.675 17.675 18.343 -0.668 17614 13963 1 12 . 1 1 245 245 ALA H H 257 7.932 7.932 7.472 0.460 17614 13964 1 12 . 1 1 246 246 LEU N N 258 119.779 119.779 118.416 1.363 17614 13965 1 12 . 1 1 246 246 LEU C C 258 178.234 178.234 179.095 -0.861 17614 13966 1 12 . 1 1 246 246 LEU CA C 258 56.967 56.967 58.217 -1.250 17614 13967 1 12 . 1 1 246 246 LEU CB C 258 41.067 41.067 41.551 -0.484 17614 13968 1 12 . 1 1 246 246 LEU H H 258 7.681 7.681 7.828 -0.147 17614 13969 1 12 . 1 1 247 247 THR N N 259 114.552 114.552 115.276 -0.724 17614 13970 1 12 . 1 1 247 247 THR C C 259 176.244 176.244 176.852 -0.608 17614 13971 1 12 . 1 1 247 247 THR CA C 259 66.511 66.511 66.526 -0.015 17614 13972 1 12 . 1 1 247 247 THR CB C 259 67.274 67.274 68.633 -1.359 17614 13973 1 12 . 1 1 247 247 THR H H 259 7.855 7.855 8.143 -0.288 17614 13974 1 12 . 1 1 248 248 MET N N 260 118.862 118.862 118.979 -0.117 17614 13975 1 12 . 1 1 248 248 MET C C 260 177.094 177.094 177.997 -0.903 17614 13976 1 12 . 1 1 248 248 MET CA C 260 58.532 58.532 58.147 0.385 17614 13977 1 12 . 1 1 248 248 MET CB C 260 32.288 32.288 32.135 0.153 17614 13978 1 12 . 1 1 248 248 MET H H 260 8.296 8.296 7.858 0.438 17614 13979 1 12 . 1 1 249 249 LEU N N 261 116.839 116.839 118.274 -1.435 17614 13980 1 12 . 1 1 249 249 LEU C C 261 178.162 178.162 179.218 -1.056 17614 13981 1 12 . 1 1 249 249 LEU CA C 261 58.167 58.167 57.679 0.488 17614 13982 1 12 . 1 1 249 249 LEU CB C 261 42.202 42.202 42.035 0.167 17614 13983 1 12 . 1 1 249 249 LEU H H 261 8.053 8.053 7.580 0.473 17614 13984 1 12 . 1 1 250 250 ARG N N 262 116.821 116.821 118.318 -1.497 17614 13985 1 12 . 1 1 250 250 ARG CA C 262 58.761 58.761 58.625 0.136 17614 13986 1 12 . 1 1 250 250 ARG CB C 262 30.825 30.825 30.457 0.368 17614 13987 1 12 . 1 1 250 250 ARG H H 262 7.827 7.827 7.627 0.200 17614 13988 1 12 . 1 1 254 254 PRO C C 266 177.152 177.152 177.897 -0.745 17614 13989 1 12 . 1 1 254 254 PRO CA C 266 65.152 65.152 64.475 0.677 17614 13990 1 12 . 1 1 255 255 ARG N N 267 117.739 117.739 117.226 0.513 17614 13991 1 12 . 1 1 255 255 ARG C C 267 177.463 177.463 177.776 -0.313 17614 13992 1 12 . 1 1 255 255 ARG CA C 267 59.335 59.335 58.487 0.848 17614 13993 1 12 . 1 1 255 255 ARG CB C 267 30.185 30.185 28.847 1.338 17614 13994 1 12 . 1 1 255 255 ARG H H 267 8.072 8.072 7.926 0.146 17614 13995 1 12 . 1 1 256 256 ALA N N 268 121.709 121.709 121.854 -0.145 17614 13996 1 12 . 1 1 256 256 ALA C C 268 179.251 179.251 178.266 0.985 17614 13997 1 12 . 1 1 256 256 ALA CA C 268 54.631 54.631 54.661 -0.030 17614 13998 1 12 . 1 1 256 256 ALA CB C 268 18.683 18.683 18.105 0.579 17614 13999 1 12 . 1 1 256 256 ALA H H 268 7.963 7.963 7.979 -0.016 17614 14000 1 12 . 1 1 257 257 PHE N N 269 117.096 117.096 116.158 0.938 17614 14001 1 12 . 1 1 257 257 PHE C C 269 175.987 175.987 176.775 -0.788 17614 14002 1 12 . 1 1 257 257 PHE CA C 269 61.037 61.037 61.436 -0.399 17614 14003 1 12 . 1 1 257 257 PHE CB C 269 38.637 38.637 39.069 -0.432 17614 14004 1 12 . 1 1 257 257 PHE H H 269 7.832 7.832 7.647 0.185 17614 14005 1 12 . 1 1 258 258 TYR N N 270 118.496 118.496 118.997 -0.501 17614 14006 1 12 . 1 1 258 258 TYR C C 270 176.250 176.250 176.637 -0.387 17614 14007 1 12 . 1 1 258 258 TYR CA C 270 60.116 60.116 60.086 0.030 17614 14008 1 12 . 1 1 258 258 TYR CB C 270 38.882 38.882 38.941 -0.059 17614 14009 1 12 . 1 1 258 258 TYR H H 270 7.813 7.813 7.558 0.255 17614 14010 1 12 . 1 1 259 259 LYS N N 271 119.458 119.458 119.082 0.376 17614 14011 1 12 . 1 1 259 259 LYS C C 271 177.696 177.696 176.300 1.396 17614 14012 1 12 . 1 1 259 259 LYS CA C 271 57.192 57.192 56.879 0.313 17614 14013 1 12 . 1 1 259 259 LYS CB C 271 32.734 32.734 32.696 0.038 17614 14014 1 12 . 1 1 259 259 LYS H H 271 7.864 7.864 7.898 -0.034 17614 14015 1 12 . 1 1 260 260 GLY N N 272 106.217 106.217 105.978 0.239 17614 14016 1 12 . 1 1 260 260 GLY C C 272 173.967 173.967 173.408 0.559 17614 14017 1 12 . 1 1 260 260 GLY CA C 272 46.117 46.117 45.296 0.821 17614 14018 1 12 . 1 1 260 260 GLY H H 272 7.622 7.622 8.299 -0.677 17614 14019 1 12 . 1 1 261 261 PHE N N 273 118.847 118.847 122.929 -4.082 17614 14020 1 12 . 1 1 261 261 PHE C C 273 175.055 175.055 174.818 0.237 17614 14021 1 12 . 1 1 261 261 PHE CA C 273 57.721 57.721 59.015 -1.294 17614 14022 1 12 . 1 1 261 261 PHE CB C 273 40.183 40.183 39.613 0.570 17614 14023 1 12 . 1 1 261 261 PHE H H 273 7.677 7.677 8.175 -0.498 17614 14024 1 12 . 1 1 265 265 PHE C C 277 176.602 176.602 176.375 0.227 17614 14025 1 12 . 1 1 265 265 PHE CA C 277 61.838 61.838 60.979 0.859 17614 14026 1 12 . 1 1 265 265 PHE CB C 277 39.537 39.537 38.657 0.880 17614 14027 1 12 . 1 1 265 265 PHE H H 277 7.695 7.695 7.899 -0.204 17614 14028 1 12 . 1 1 266 266 LEU N N 278 118.465 118.465 118.699 -0.234 17614 14029 1 12 . 1 1 266 266 LEU C C 278 177.152 177.152 178.957 -1.805 17614 14030 1 12 . 1 1 266 266 LEU CA C 278 56.115 56.115 57.833 -1.718 17614 14031 1 12 . 1 1 266 266 LEU CB C 278 42.398 42.398 41.413 0.985 17614 14032 1 12 . 1 1 266 266 LEU H H 278 8.104 8.104 7.528 0.576 17614 14033 1 12 . 1 1 267 267 ARG N N 279 118.749 118.749 118.739 0.010 17614 14034 1 12 . 1 1 267 267 ARG C C 279 176.608 176.608 178.836 -2.228 17614 14035 1 12 . 1 1 267 267 ARG CA C 279 56.938 56.938 58.643 -1.705 17614 14036 1 12 . 1 1 267 267 ARG CB C 279 30.659 30.659 29.673 0.986 17614 14037 1 12 . 1 1 267 267 ARG H H 279 7.472 7.472 7.612 -0.140 17614 14038 1 12 . 1 1 268 268 LEU N N 280 120.305 120.305 120.148 0.157 17614 14039 1 12 . 1 1 268 268 LEU C C 280 177.540 177.540 178.608 -1.068 17614 14040 1 12 . 1 1 268 268 LEU CA C 280 57.094 57.094 58.258 -1.164 17614 14041 1 12 . 1 1 268 268 LEU CB C 280 42.027 42.027 40.858 1.169 17614 14042 1 12 . 1 1 268 268 LEU H H 280 7.690 7.690 7.923 -0.233 17614 14043 1 12 . 1 1 269 269 GLY N N 281 106.837 106.837 107.152 -0.315 17614 14044 1 12 . 1 1 269 269 GLY C C 281 174.045 174.045 175.965 -1.920 17614 14045 1 12 . 1 1 269 269 GLY CA C 281 46.967 46.967 47.166 -0.199 17614 14046 1 12 . 1 1 269 269 GLY H H 281 7.881 7.881 7.588 0.293 17614 14047 1 12 . 1 1 270 270 SER N N 282 115.531 115.531 118.907 -3.376 17614 14048 1 12 . 1 1 270 270 SER C C 282 174.123 174.123 176.214 -2.091 17614 14049 1 12 . 1 1 270 270 SER CA C 282 58.796 58.796 61.873 -3.077 17614 14050 1 12 . 1 1 270 270 SER CB C 282 58.975 58.975 63.142 -4.167 17614 14051 1 12 . 1 1 270 270 SER H H 282 7.813 7.813 7.458 0.355 17614 14052 1 12 . 1 1 271 271 TRP N N 283 122.851 122.851 122.666 0.185 17614 14053 1 12 . 1 1 271 271 TRP C C 283 176.142 176.142 177.351 -1.209 17614 14054 1 12 . 1 1 271 271 TRP CA C 283 59.221 59.221 60.668 -1.447 17614 14055 1 12 . 1 1 271 271 TRP CB C 283 30.446 30.446 29.519 0.927 17614 14056 1 12 . 1 1 271 271 TRP H H 283 8.186 8.186 8.477 -0.291 17614 14057 1 12 . 1 1 272 272 ASN N N 284 118.459 118.459 118.071 0.388 17614 14058 1 12 . 1 1 272 272 ASN CA C 284 55.325 55.325 56.226 -0.901 17614 14059 1 12 . 1 1 272 272 ASN CB C 284 39.504 39.504 38.515 0.989 17614 14060 1 12 . 1 1 272 272 ASN H H 284 8.127 8.127 7.911 0.216 17614 14061 1 12 . 1 1 273 273 VAL C C 285 177.263 177.263 177.541 -0.278 17614 14062 1 12 . 1 1 273 273 VAL H H 285 7.854 7.854 7.489 0.365 17614 14063 1 12 . 1 1 274 274 VAL N N 286 119.883 119.883 117.365 2.518 17614 14064 1 12 . 1 1 274 274 VAL C C 286 177.072 177.072 177.520 -0.448 17614 14065 1 12 . 1 1 274 274 VAL CA C 286 64.717 64.717 65.790 -1.072 17614 14066 1 12 . 1 1 274 274 VAL CB C 286 29.553 29.553 30.785 -1.232 17614 14067 1 12 . 1 1 274 274 VAL H H 286 7.483 7.483 7.302 0.181 17614 14068 1 12 . 1 1 275 275 MET N N 287 120.401 120.401 118.499 1.902 17614 14069 1 12 . 1 1 275 275 MET C C 287 177.594 177.594 178.729 -1.135 17614 14070 1 12 . 1 1 275 275 MET CA C 287 57.654 57.654 57.094 0.560 17614 14071 1 12 . 1 1 275 275 MET CB C 287 31.592 31.592 30.911 0.681 17614 14072 1 12 . 1 1 275 275 MET H H 287 8.118 8.118 7.072 1.046 17614 14073 1 12 . 1 1 276 276 PHE N N 288 122.234 122.234 120.808 1.426 17614 14074 1 12 . 1 1 276 276 PHE C C 288 176.498 176.498 177.449 -0.951 17614 14075 1 12 . 1 1 276 276 PHE CA C 288 61.766 61.766 61.890 -0.124 17614 14076 1 12 . 1 1 276 276 PHE CB C 288 39.031 39.031 39.024 0.007 17614 14077 1 12 . 1 1 276 276 PHE H H 288 7.878 7.878 7.636 0.242 17614 14078 1 12 . 1 1 277 277 VAL N N 289 118.907 118.907 115.766 3.141 17614 14079 1 12 . 1 1 277 277 VAL CA C 289 64.566 64.566 66.799 -2.233 17614 14080 1 12 . 1 1 277 277 VAL CB C 289 30.544 30.544 30.392 0.152 17614 14081 1 12 . 1 1 277 277 VAL H H 289 7.913 7.913 7.710 0.203 17614 14082 1 12 . 1 1 278 278 THR C C 290 175.376 175.376 176.469 -1.093 17614 14083 1 12 . 1 1 278 278 THR H H 290 8.095 8.095 7.438 0.657 17614 14084 1 12 . 1 1 279 279 TYR N N 291 118.029 118.029 123.338 -5.309 17614 14085 1 12 . 1 1 279 279 TYR C C 291 176.919 176.919 177.096 -0.177 17614 14086 1 12 . 1 1 279 279 TYR CA C 291 61.717 61.717 61.637 0.080 17614 14087 1 12 . 1 1 279 279 TYR CB C 291 38.020 38.020 38.236 -0.216 17614 14088 1 12 . 1 1 279 279 TYR H H 291 7.986 7.986 7.695 0.291 17614 14089 1 12 . 1 1 280 280 GLU N N 292 118.005 118.005 118.929 -0.924 17614 14090 1 12 . 1 1 280 280 GLU C C 292 176.686 176.686 178.904 -2.218 17614 14091 1 12 . 1 1 280 280 GLU CA C 292 60.084 60.084 59.762 0.322 17614 14092 1 12 . 1 1 280 280 GLU CB C 292 29.443 29.443 29.184 0.259 17614 14093 1 12 . 1 1 280 280 GLU H H 292 8.359 8.359 8.082 0.277 17614 14094 1 12 . 1 1 281 281 GLN N N 293 118.746 118.746 117.908 0.838 17614 14095 1 12 . 1 1 281 281 GLN C C 293 176.210 176.210 178.644 -2.434 17614 14096 1 12 . 1 1 281 281 GLN CA C 293 58.986 58.986 58.350 0.636 17614 14097 1 12 . 1 1 281 281 GLN CB C 293 28.784 28.784 28.494 0.290 17614 14098 1 12 . 1 1 281 281 GLN H H 293 7.704 7.704 7.529 0.175 17614 14099 1 12 . 1 1 282 282 LEU N N 294 120.970 120.970 118.840 2.130 17614 14100 1 12 . 1 1 282 282 LEU C C 294 178.084 178.084 178.240 -0.156 17614 14101 1 12 . 1 1 282 282 LEU CA C 294 58.741 58.741 56.836 1.905 17614 14102 1 12 . 1 1 282 282 LEU CB C 294 41.451 41.451 41.609 -0.158 17614 14103 1 12 . 1 1 282 282 LEU H H 294 7.995 7.995 7.530 0.465 17614 14104 1 12 . 1 1 283 283 LYS N N 295 117.756 117.756 117.066 0.690 17614 14105 1 12 . 1 1 283 283 LYS CA C 295 59.048 59.048 58.435 0.613 17614 14106 1 12 . 1 1 283 283 LYS CB C 295 31.871 31.871 33.055 -1.184 17614 14107 1 12 . 1 1 283 283 LYS H H 295 7.731 7.731 7.674 0.057 17614 14108 1 12 . 1 1 284 284 ARG H H 296 7.895 7.895 7.769 0.126 17614 14109 1 12 . 1 1 285 285 ALA C C 297 176.488 176.488 178.288 -1.800 17614 14110 1 12 . 1 1 285 285 ALA H H 297 8.223 8.223 8.400 -0.177 17614 14111 1 12 . 1 1 286 286 LEU N N 298 117.376 117.376 121.109 -3.733 17614 14112 1 12 . 1 1 286 286 LEU C C 298 178.628 178.628 178.080 0.548 17614 14113 1 12 . 1 1 286 286 LEU CA C 298 58.217 58.217 57.119 1.098 17614 14114 1 12 . 1 1 286 286 LEU CB C 298 41.905 41.905 41.898 0.007 17614 14115 1 12 . 1 1 286 286 LEU H H 298 7.947 7.947 8.127 -0.180 17614 14116 1 12 . 1 1 287 287 MET N N 299 127.376 127.376 116.211 11.165 17614 14117 1 12 . 1 1 287 287 MET C C 299 178.472 178.472 174.751 3.721 17614 14118 1 12 . 1 1 287 287 MET CA C 299 58.461 58.461 56.315 2.146 17614 14119 1 12 . 1 1 287 287 MET CB C 299 32.110 32.110 30.881 1.229 17614 14120 1 12 . 1 1 287 287 MET H H 299 8.182 8.182 8.322 -0.140 17614 14121 1 12 . 1 1 288 288 ALA N N 300 121.854 121.854 119.430 2.424 17614 14122 1 12 . 1 1 288 288 ALA C C 300 180.197 180.197 176.153 4.044 17614 14123 1 12 . 1 1 288 288 ALA CA C 300 55.617 55.617 52.532 3.084 17614 14124 1 12 . 1 1 288 288 ALA CB C 300 18.215 18.215 20.002 -1.787 17614 14125 1 12 . 1 1 288 288 ALA H H 300 7.841 7.841 7.778 0.063 17614 14126 1 12 . 1 1 289 289 ALA N N 301 121.224 121.224 128.579 -7.355 17614 14127 1 12 . 1 1 289 289 ALA C C 301 178.939 178.939 178.502 0.437 17614 14128 1 12 . 1 1 289 289 ALA CA C 301 55.186 55.186 54.612 0.574 17614 14129 1 12 . 1 1 289 289 ALA CB C 301 18.735 18.735 18.810 -0.075 17614 14130 1 12 . 1 1 289 289 ALA H H 301 7.872 7.872 8.668 -0.796 17614 14131 1 12 . 1 1 290 290 TYR N N 302 118.183 118.183 119.775 -1.592 17614 14132 1 12 . 1 1 290 290 TYR C C 302 176.841 176.841 177.849 -1.008 17614 14133 1 12 . 1 1 290 290 TYR CA C 302 60.868 60.868 61.390 -0.522 17614 14134 1 12 . 1 1 290 290 TYR CB C 302 39.344 39.344 38.075 1.269 17614 14135 1 12 . 1 1 290 290 TYR H H 302 8.100 8.100 8.451 -0.351 17614 14136 1 12 . 1 1 291 291 GLN N N 303 117.243 117.243 118.220 -0.977 17614 14137 1 12 . 1 1 291 291 GLN C C 303 176.997 176.997 178.162 -1.165 17614 14138 1 12 . 1 1 291 291 GLN CA C 303 58.787 58.787 59.373 -0.586 17614 14139 1 12 . 1 1 291 291 GLN CB C 303 29.216 29.216 28.301 0.915 17614 14140 1 12 . 1 1 291 291 GLN H H 303 8.059 8.059 8.646 -0.587 17614 14141 1 12 . 1 1 292 292 SER N N 304 114.721 114.721 114.305 0.416 17614 14142 1 12 . 1 1 292 292 SER C C 304 174.511 174.511 176.190 -1.679 17614 14143 1 12 . 1 1 292 292 SER CA C 304 59.720 59.720 61.190 -1.470 17614 14144 1 12 . 1 1 292 292 SER CB C 304 63.896 63.896 63.097 0.799 17614 14145 1 12 . 1 1 292 292 SER H H 304 7.718 7.718 7.641 0.077 17614 14146 1 12 . 1 1 293 293 ARG N N 305 121.401 121.401 119.581 1.820 17614 14147 1 12 . 1 1 293 293 ARG C C 305 175.521 175.521 177.998 -2.477 17614 14148 1 12 . 1 1 293 293 ARG CA C 305 59.639 59.639 58.732 0.907 17614 14149 1 12 . 1 1 293 293 ARG CB C 305 30.568 30.568 30.371 0.197 17614 14150 1 12 . 1 1 293 293 ARG H H 305 7.609 7.609 8.087 -0.478 17614 14151 1 12 . 1 1 294 294 GLU N N 306 120.090 120.090 118.045 2.045 17614 14152 1 12 . 1 1 294 294 GLU C C 306 177.648 177.648 178.738 -1.090 17614 14153 1 12 . 1 1 294 294 GLU CA C 306 59.624 59.624 58.588 1.036 17614 14154 1 12 . 1 1 294 294 GLU CB C 306 30.362 30.362 29.532 0.830 17614 14155 1 12 . 1 1 294 294 GLU H H 306 7.909 7.909 7.677 0.232 17614 14156 1 12 . 1 1 295 295 ALA N N 307 121.234 121.234 123.928 -2.694 17614 14157 1 12 . 1 1 295 295 ALA C C 307 176.014 176.014 176.843 -0.829 17614 14158 1 12 . 1 1 295 295 ALA CA C 307 56.844 56.844 55.017 1.827 17614 14159 1 12 . 1 1 295 295 ALA CB C 307 17.735 17.735 17.132 0.603 17614 14160 1 12 . 1 1 295 295 ALA H H 307 7.760 7.760 7.686 0.074 17614 14161 1 13 . 1 1 3 3 VAL N N 15 123.095 123.095 121.714 1.381 17614 14162 1 13 . 1 1 3 3 VAL C C 15 176.453 176.453 177.018 -0.565 17614 14163 1 13 . 1 1 3 3 VAL CA C 15 63.979 63.979 60.919 3.061 17614 14164 1 13 . 1 1 3 3 VAL CB C 15 32.507 32.507 33.189 -0.682 17614 14165 1 13 . 1 1 3 3 VAL H H 15 8.053 8.053 7.875 0.178 17614 14166 1 13 . 1 1 4 4 LYS N N 16 123.075 123.075 122.744 0.331 17614 14167 1 13 . 1 1 4 4 LYS C C 16 176.841 176.841 179.066 -2.225 17614 14168 1 13 . 1 1 4 4 LYS CA C 16 59.762 59.762 59.397 0.365 17614 14169 1 13 . 1 1 4 4 LYS CB C 16 32.751 32.751 31.932 0.819 17614 14170 1 13 . 1 1 4 4 LYS H H 16 8.059 8.059 8.723 -0.664 17614 14171 1 13 . 1 1 5 5 PHE N N 17 118.838 118.838 120.408 -1.570 17614 14172 1 13 . 1 1 5 5 PHE C C 17 175.443 175.443 177.298 -1.855 17614 14173 1 13 . 1 1 5 5 PHE CA C 17 59.915 59.915 60.855 -0.940 17614 14174 1 13 . 1 1 5 5 PHE CB C 17 39.659 39.659 39.014 0.645 17614 14175 1 13 . 1 1 5 5 PHE H H 17 7.909 7.909 8.084 -0.175 17614 14176 1 13 . 1 1 6 6 LEU N N 18 119.089 119.089 119.633 -0.544 17614 14177 1 13 . 1 1 6 6 LEU C C 18 177.195 177.195 177.984 -0.789 17614 14178 1 13 . 1 1 6 6 LEU CA C 18 55.385 55.385 56.569 -1.184 17614 14179 1 13 . 1 1 6 6 LEU CB C 18 42.905 42.905 41.062 1.843 17614 14180 1 13 . 1 1 6 6 LEU H H 18 7.814 7.814 8.289 -0.475 17614 14181 1 13 . 1 1 7 7 GLY N N 19 108.484 108.484 107.755 0.729 17614 14182 1 13 . 1 1 7 7 GLY C C 19 174.967 174.967 175.607 -0.640 17614 14183 1 13 . 1 1 7 7 GLY CA C 19 45.518 45.518 47.161 -1.643 17614 14184 1 13 . 1 1 7 7 GLY H H 19 8.032 8.032 8.585 -0.553 17614 14185 1 13 . 1 1 8 8 ALA N N 20 124.208 124.208 123.802 0.406 17614 14186 1 13 . 1 1 8 8 ALA C C 20 179.405 179.405 179.410 -0.005 17614 14187 1 13 . 1 1 8 8 ALA CA C 20 54.531 54.531 54.373 0.158 17614 14188 1 13 . 1 1 8 8 ALA CB C 20 18.995 18.995 18.103 0.892 17614 14189 1 13 . 1 1 8 8 ALA H H 20 8.318 8.318 8.025 0.293 17614 14190 1 13 . 1 1 9 9 GLY N N 21 108.209 108.209 107.261 0.948 17614 14191 1 13 . 1 1 9 9 GLY C C 21 175.676 175.676 176.206 -0.530 17614 14192 1 13 . 1 1 9 9 GLY CA C 21 46.742 46.742 47.286 -0.544 17614 14193 1 13 . 1 1 9 9 GLY H H 21 8.523 8.523 7.889 0.634 17614 14194 1 13 . 1 1 10 10 THR N N 22 119.542 119.542 116.883 2.659 17614 14195 1 13 . 1 1 10 10 THR C C 22 175.661 175.661 175.992 -0.331 17614 14196 1 13 . 1 1 10 10 THR CA C 22 66.401 66.401 65.322 1.079 17614 14197 1 13 . 1 1 10 10 THR CB C 22 68.866 68.866 68.563 0.303 17614 14198 1 13 . 1 1 10 10 THR H H 22 7.881 7.881 8.211 -0.330 17614 14199 1 13 . 1 1 11 11 ALA N N 23 123.431 123.431 123.699 -0.268 17614 14200 1 13 . 1 1 11 11 ALA C C 23 178.628 178.628 179.030 -0.402 17614 14201 1 13 . 1 1 11 11 ALA CA C 23 55.480 55.480 55.106 0.374 17614 14202 1 13 . 1 1 11 11 ALA CB C 23 18.218 18.218 18.051 0.167 17614 14203 1 13 . 1 1 11 11 ALA H H 23 8.263 8.263 7.381 0.882 17614 14204 1 13 . 1 1 12 12 ALA N N 24 119.939 119.939 121.054 -1.115 17614 14205 1 13 . 1 1 12 12 ALA C C 24 179.172 179.172 179.438 -0.266 17614 14206 1 13 . 1 1 12 12 ALA CA C 24 55.038 55.038 54.959 0.079 17614 14207 1 13 . 1 1 12 12 ALA CB C 24 18.385 18.385 18.078 0.307 17614 14208 1 13 . 1 1 12 12 ALA H H 24 7.827 7.827 7.974 -0.147 17614 14209 1 13 . 1 1 13 13 CYS N N 25 116.736 116.736 117.450 -0.714 17614 14210 1 13 . 1 1 13 13 CYS C C 25 176.220 176.220 177.031 -0.811 17614 14211 1 13 . 1 1 13 13 CYS CA C 25 58.596 58.596 63.813 -5.217 17614 14212 1 13 . 1 1 13 13 CYS CB C 25 41.771 41.771 27.966 13.805 17614 14213 1 13 . 1 1 13 13 CYS H H 25 7.677 7.677 7.431 0.246 17614 14214 1 13 . 1 1 14 14 ILE N N 26 119.154 119.154 118.553 0.601 17614 14215 1 13 . 1 1 14 14 ILE C C 26 176.915 176.915 177.184 -0.269 17614 14216 1 13 . 1 1 14 14 ILE CA C 26 64.858 64.858 64.359 0.499 17614 14217 1 13 . 1 1 14 14 ILE CB C 26 38.090 38.090 37.047 1.043 17614 14218 1 13 . 1 1 14 14 ILE H H 26 7.899 7.899 7.801 0.098 17614 14219 1 13 . 1 1 15 15 ALA N N 27 121.116 121.116 122.648 -1.532 17614 14220 1 13 . 1 1 15 15 ALA C C 27 179.016 179.016 179.362 -0.346 17614 14221 1 13 . 1 1 15 15 ALA CA C 27 55.367 55.367 55.151 0.216 17614 14222 1 13 . 1 1 15 15 ALA CB C 27 18.385 18.385 18.305 0.080 17614 14223 1 13 . 1 1 15 15 ALA H H 27 7.909 7.909 8.019 -0.110 17614 14224 1 13 . 1 1 16 16 ASP N N 28 116.829 116.829 118.043 -1.214 17614 14225 1 13 . 1 1 16 16 ASP C C 28 177.643 177.643 178.384 -0.741 17614 14226 1 13 . 1 1 16 16 ASP CA C 28 56.453 56.453 57.525 -1.072 17614 14227 1 13 . 1 1 16 16 ASP CB C 28 41.128 41.128 41.044 0.084 17614 14228 1 13 . 1 1 16 16 ASP H H 28 7.554 7.554 7.581 -0.027 17614 14229 1 13 . 1 1 17 17 LEU N N 29 119.672 119.672 121.063 -1.391 17614 14230 1 13 . 1 1 17 17 LEU C C 29 178.628 178.628 178.572 0.056 17614 14231 1 13 . 1 1 17 17 LEU CA C 29 57.144 57.144 58.408 -1.264 17614 14232 1 13 . 1 1 17 17 LEU CB C 29 43.146 43.146 42.281 0.865 17614 14233 1 13 . 1 1 17 17 LEU H H 29 7.732 7.732 7.399 0.333 17614 14234 1 13 . 1 1 18 18 ILE N N 30 113.629 113.629 114.216 -0.587 17614 14235 1 13 . 1 1 18 18 ILE C C 30 176.456 176.456 176.727 -0.271 17614 14236 1 13 . 1 1 18 18 ILE CA C 30 60.539 60.539 63.569 -3.030 17614 14237 1 13 . 1 1 18 18 ILE CB C 30 38.506 38.506 37.689 0.817 17614 14238 1 13 . 1 1 18 18 ILE H H 30 7.977 7.977 7.695 0.282 17614 14239 1 13 . 1 1 19 19 THR N N 31 113.314 113.314 111.892 1.422 17614 14240 1 13 . 1 1 19 19 THR C C 31 174.045 174.045 175.697 -1.652 17614 14241 1 13 . 1 1 19 19 THR CA C 31 62.495 62.495 63.034 -0.539 17614 14242 1 13 . 1 1 19 19 THR CB C 31 69.898 69.898 70.235 -0.337 17614 14243 1 13 . 1 1 19 19 THR H H 31 7.738 7.738 7.157 0.581 17614 14244 1 13 . 1 1 20 20 PHE N N 32 123.409 123.409 124.620 -1.211 17614 14245 1 13 . 1 1 20 20 PHE CA C 32 56.349 56.349 63.201 -6.852 17614 14246 1 13 . 1 1 20 20 PHE CB C 32 39.148 39.148 37.248 1.900 17614 14247 1 13 . 1 1 20 20 PHE H H 32 7.609 7.609 8.618 -1.009 17614 14248 1 13 . 1 1 21 21 PRO C C 33 177.831 177.831 177.651 0.180 17614 14249 1 13 . 1 1 21 21 PRO CA C 33 62.656 62.656 65.264 -2.609 17614 14250 1 13 . 1 1 21 21 PRO CB C 33 34.762 34.762 31.055 3.707 17614 14251 1 13 . 1 1 22 22 LEU N N 34 124.503 124.503 117.893 6.610 17614 14252 1 13 . 1 1 22 22 LEU C C 34 176.298 176.298 177.364 -1.066 17614 14253 1 13 . 1 1 22 22 LEU CA C 34 55.545 55.545 57.488 -1.943 17614 14254 1 13 . 1 1 22 22 LEU CB C 34 43.287 43.287 41.977 1.310 17614 14255 1 13 . 1 1 22 22 LEU H H 34 8.659 8.659 7.364 1.295 17614 14256 1 13 . 1 1 23 23 ASP N N 35 121.663 121.663 117.836 3.827 17614 14257 1 13 . 1 1 23 23 ASP C C 35 177.152 177.152 177.840 -0.688 17614 14258 1 13 . 1 1 23 23 ASP CA C 35 54.326 54.326 57.130 -2.804 17614 14259 1 13 . 1 1 23 23 ASP CB C 35 41.154 41.154 40.010 1.144 17614 14260 1 13 . 1 1 23 23 ASP H H 35 8.236 8.236 7.720 0.516 17614 14261 1 13 . 1 1 24 24 THR N N 36 115.977 115.977 110.851 5.126 17614 14262 1 13 . 1 1 24 24 THR C C 36 177.088 177.088 176.394 0.694 17614 14263 1 13 . 1 1 24 24 THR CA C 36 64.868 64.868 65.304 -0.436 17614 14264 1 13 . 1 1 24 24 THR CB C 36 69.053 69.053 68.858 0.195 17614 14265 1 13 . 1 1 24 24 THR H H 36 8.127 8.127 7.840 0.287 17614 14266 1 13 . 1 1 25 25 ALA N N 37 125.063 125.063 123.944 1.119 17614 14267 1 13 . 1 1 25 25 ALA C C 37 179.143 179.143 179.280 -0.137 17614 14268 1 13 . 1 1 25 25 ALA CA C 37 55.234 55.234 54.946 0.288 17614 14269 1 13 . 1 1 25 25 ALA CB C 37 18.735 18.735 18.514 0.221 17614 14270 1 13 . 1 1 25 25 ALA H H 37 8.042 8.042 7.784 0.258 17614 14271 1 13 . 1 1 26 26 LYS N N 38 117.827 117.827 117.906 -0.079 17614 14272 1 13 . 1 1 26 26 LYS C C 38 178.239 178.239 178.171 0.068 17614 14273 1 13 . 1 1 26 26 LYS CA C 38 58.861 58.861 58.861 -0.000 17614 14274 1 13 . 1 1 26 26 LYS CB C 38 32.724 32.724 31.831 0.893 17614 14275 1 13 . 1 1 26 26 LYS H H 38 7.759 7.759 7.545 0.214 17614 14276 1 13 . 1 1 27 27 VAL N N 39 118.955 118.955 118.434 0.521 17614 14277 1 13 . 1 1 27 27 VAL C C 39 177.892 177.892 177.914 -0.022 17614 14278 1 13 . 1 1 27 27 VAL CA C 39 65.478 65.478 65.076 0.401 17614 14279 1 13 . 1 1 27 27 VAL CB C 39 34.675 34.675 31.911 2.764 17614 14280 1 13 . 1 1 27 27 VAL H H 39 7.554 7.554 7.359 0.195 17614 14281 1 13 . 1 1 28 28 ARG N N 40 119.922 119.922 117.790 2.132 17614 14282 1 13 . 1 1 28 28 ARG C C 40 178.391 178.391 178.734 -0.343 17614 14283 1 13 . 1 1 28 28 ARG CA C 40 59.648 59.648 57.435 2.213 17614 14284 1 13 . 1 1 28 28 ARG CB C 40 29.933 29.933 29.520 0.413 17614 14285 1 13 . 1 1 28 28 ARG H H 40 7.794 7.794 7.389 0.405 17614 14286 1 13 . 1 1 29 29 LEU N N 41 118.720 118.720 122.182 -3.462 17614 14287 1 13 . 1 1 29 29 LEU CA C 41 54.749 54.749 54.434 0.315 17614 14288 1 13 . 1 1 29 29 LEU CB C 41 40.429 40.429 39.404 1.025 17614 14289 1 13 . 1 1 29 29 LEU H H 41 7.534 7.534 7.780 -0.246 17614 14290 1 13 . 1 1 37 37 GLY C C 49 174.779 174.779 175.396 -0.617 17614 14291 1 13 . 1 1 38 38 LEU N N 50 123.029 123.029 122.211 0.818 17614 14292 1 13 . 1 1 38 38 LEU C C 50 178.482 178.482 177.803 0.679 17614 14293 1 13 . 1 1 38 38 LEU CA C 50 56.765 56.765 57.387 -0.622 17614 14294 1 13 . 1 1 38 38 LEU CB C 50 41.673 41.673 41.935 -0.263 17614 14295 1 13 . 1 1 38 38 LEU H H 50 8.113 8.113 7.879 0.234 17614 14296 1 13 . 1 1 39 39 VAL N N 51 118.714 118.714 119.065 -0.351 17614 14297 1 13 . 1 1 39 39 VAL C C 51 178.032 178.032 176.534 1.498 17614 14298 1 13 . 1 1 39 39 VAL CA C 51 66.037 66.037 65.985 0.052 17614 14299 1 13 . 1 1 39 39 VAL CB C 51 30.763 30.763 31.784 -1.021 17614 14300 1 13 . 1 1 39 39 VAL H H 51 7.974 7.974 7.744 0.230 17614 14301 1 13 . 1 1 40 40 ARG N N 52 121.569 121.569 116.180 5.389 17614 14302 1 13 . 1 1 40 40 ARG CA C 52 59.167 59.167 58.355 0.812 17614 14303 1 13 . 1 1 40 40 ARG CB C 52 29.437 29.437 29.398 0.039 17614 14304 1 13 . 1 1 40 40 ARG H H 52 8.231 8.231 8.205 0.026 17614 14305 1 13 . 1 1 41 41 THR C C 53 175.108 175.108 174.930 0.178 17614 14306 1 13 . 1 1 41 41 THR H H 53 7.948 7.948 7.428 0.520 17614 14307 1 13 . 1 1 42 42 ALA N N 54 121.823 121.823 123.372 -1.549 17614 14308 1 13 . 1 1 42 42 ALA C C 54 174.922 174.922 176.099 -1.177 17614 14309 1 13 . 1 1 42 42 ALA CA C 54 50.101 50.101 52.462 -2.361 17614 14310 1 13 . 1 1 42 42 ALA CB C 54 18.950 18.950 19.327 -0.377 17614 14311 1 13 . 1 1 42 42 ALA H H 54 7.792 7.792 7.849 -0.057 17614 14312 1 13 . 1 1 43 43 ALA N N 55 113.986 113.986 120.700 -6.714 17614 14313 1 13 . 1 1 43 43 ALA C C 55 178.007 178.007 176.928 1.079 17614 14314 1 13 . 1 1 43 43 ALA CA C 55 53.458 53.458 52.569 0.889 17614 14315 1 13 . 1 1 43 43 ALA CB C 55 18.809 18.809 19.395 -0.586 17614 14316 1 13 . 1 1 43 43 ALA H H 55 7.333 7.333 8.631 -1.298 17614 14317 1 13 . 1 1 44 44 SER N N 56 125.425 125.425 113.675 11.750 17614 14318 1 13 . 1 1 44 44 SER C C 56 174.899 174.899 173.537 1.362 17614 14319 1 13 . 1 1 44 44 SER CA C 56 59.520 59.520 57.399 2.121 17614 14320 1 13 . 1 1 44 44 SER CB C 56 64.051 64.051 63.330 0.721 17614 14321 1 13 . 1 1 44 44 SER H H 56 7.786 7.786 7.722 0.064 17614 14322 1 13 . 1 1 45 45 ALA N N 57 118.183 118.183 120.857 -2.674 17614 14323 1 13 . 1 1 45 45 ALA CA C 57 53.783 53.783 52.931 0.852 17614 14324 1 13 . 1 1 45 45 ALA CB C 57 17.599 17.599 18.085 -0.486 17614 14325 1 13 . 1 1 45 45 ALA H H 57 8.018 8.018 8.310 -0.292 17614 14326 1 13 . 1 1 47 47 TYR C C 59 177.662 177.662 175.342 2.320 17614 14327 1 13 . 1 1 48 48 ARG N N 60 122.798 122.798 120.368 2.430 17614 14328 1 13 . 1 1 48 48 ARG C C 60 177.956 177.956 176.443 1.513 17614 14329 1 13 . 1 1 48 48 ARG CA C 60 58.711 58.711 57.286 1.425 17614 14330 1 13 . 1 1 48 48 ARG CB C 60 30.659 30.659 30.315 0.344 17614 14331 1 13 . 1 1 48 48 ARG H H 60 8.311 8.311 8.542 -0.231 17614 14332 1 13 . 1 1 49 49 GLY N N 61 109.033 109.033 108.377 0.656 17614 14333 1 13 . 1 1 49 49 GLY C C 61 176.064 176.064 175.611 0.453 17614 14334 1 13 . 1 1 49 49 GLY CA C 61 46.592 46.592 45.274 1.318 17614 14335 1 13 . 1 1 49 49 GLY H H 61 8.182 8.182 8.191 -0.009 17614 14336 1 13 . 1 1 50 50 VAL N N 62 123.218 123.218 123.447 -0.229 17614 14337 1 13 . 1 1 50 50 VAL C C 62 177.540 177.540 177.325 0.215 17614 14338 1 13 . 1 1 50 50 VAL CA C 62 66.277 66.277 64.345 1.932 17614 14339 1 13 . 1 1 50 50 VAL CB C 62 32.355 32.355 31.802 0.553 17614 14340 1 13 . 1 1 50 50 VAL H H 62 8.105 8.105 8.331 -0.226 17614 14341 1 13 . 1 1 51 51 LEU N N 63 120.295 120.295 119.770 0.525 17614 14342 1 13 . 1 1 51 51 LEU C C 63 178.628 178.628 179.309 -0.681 17614 14343 1 13 . 1 1 51 51 LEU CA C 63 58.366 58.366 57.319 1.047 17614 14344 1 13 . 1 1 51 51 LEU CB C 63 41.675 41.675 40.192 1.483 17614 14345 1 13 . 1 1 51 51 LEU H H 63 8.182 8.182 8.351 -0.169 17614 14346 1 13 . 1 1 52 52 GLY N N 64 106.013 106.013 105.881 0.132 17614 14347 1 13 . 1 1 52 52 GLY C C 64 176.531 176.531 176.082 0.449 17614 14348 1 13 . 1 1 52 52 GLY CA C 64 47.765 47.765 47.098 0.667 17614 14349 1 13 . 1 1 52 52 GLY H H 64 8.102 8.102 7.673 0.429 17614 14350 1 13 . 1 1 53 53 THR N N 65 120.842 120.842 116.439 4.403 17614 14351 1 13 . 1 1 53 53 THR C C 65 176.453 176.453 176.762 -0.309 17614 14352 1 13 . 1 1 53 53 THR CA C 65 67.140 67.140 65.197 1.943 17614 14353 1 13 . 1 1 53 53 THR CB C 65 69.161 69.161 69.198 -0.036 17614 14354 1 13 . 1 1 53 53 THR H H 65 7.854 7.854 7.489 0.365 17614 14355 1 13 . 1 1 54 54 ILE N N 66 122.676 122.676 119.856 2.820 17614 14356 1 13 . 1 1 54 54 ILE C C 66 177.307 177.307 177.411 -0.104 17614 14357 1 13 . 1 1 54 54 ILE CA C 66 65.832 65.832 64.111 1.721 17614 14358 1 13 . 1 1 54 54 ILE CB C 66 38.090 38.090 37.128 0.962 17614 14359 1 13 . 1 1 54 54 ILE H H 66 8.018 8.018 7.417 0.601 17614 14360 1 13 . 1 1 55 55 LEU N N 67 119.838 119.838 119.617 0.221 17614 14361 1 13 . 1 1 55 55 LEU C C 67 178.706 178.706 178.280 0.426 17614 14362 1 13 . 1 1 55 55 LEU CA C 67 58.491 58.491 58.372 0.119 17614 14363 1 13 . 1 1 55 55 LEU CB C 67 41.387 41.387 41.684 -0.297 17614 14364 1 13 . 1 1 55 55 LEU H H 67 8.291 8.291 7.673 0.618 17614 14365 1 13 . 1 1 56 56 THR N N 68 115.362 115.362 115.586 -0.224 17614 14366 1 13 . 1 1 56 56 THR C C 68 176.764 176.764 176.737 0.027 17614 14367 1 13 . 1 1 56 56 THR CA C 68 67.040 67.040 66.186 0.854 17614 14368 1 13 . 1 1 56 56 THR CB C 68 69.403 69.403 68.677 0.726 17614 14369 1 13 . 1 1 56 56 THR H H 68 7.963 7.963 7.439 0.524 17614 14370 1 13 . 1 1 57 57 MET N N 69 122.960 122.960 118.852 4.108 17614 14371 1 13 . 1 1 57 57 MET C C 69 177.153 177.153 178.256 -1.103 17614 14372 1 13 . 1 1 57 57 MET CA C 69 59.710 59.710 58.365 1.345 17614 14373 1 13 . 1 1 57 57 MET CB C 69 33.111 33.111 31.861 1.250 17614 14374 1 13 . 1 1 57 57 MET H H 69 7.977 7.977 7.629 0.348 17614 14375 1 13 . 1 1 58 58 VAL N N 70 119.558 119.558 118.520 1.038 17614 14376 1 13 . 1 1 58 58 VAL C C 70 176.841 176.841 177.863 -1.022 17614 14377 1 13 . 1 1 58 58 VAL CA C 70 66.277 66.277 65.728 0.549 17614 14378 1 13 . 1 1 58 58 VAL CB C 70 31.362 31.362 31.482 -0.120 17614 14379 1 13 . 1 1 58 58 VAL H H 70 7.751 7.751 7.442 0.309 17614 14380 1 13 . 1 1 59 59 ARG N N 71 118.002 118.002 118.133 -0.131 17614 14381 1 13 . 1 1 59 59 ARG C C 71 177.152 177.152 178.020 -0.868 17614 14382 1 13 . 1 1 59 59 ARG CA C 71 58.761 58.761 58.359 0.402 17614 14383 1 13 . 1 1 59 59 ARG CB C 71 30.656 30.656 30.133 0.523 17614 14384 1 13 . 1 1 59 59 ARG H H 71 7.827 7.827 7.484 0.343 17614 14385 1 13 . 1 1 60 60 THR N N 72 111.410 111.410 113.895 -2.485 17614 14386 1 13 . 1 1 60 60 THR C C 72 175.288 175.288 175.526 -0.238 17614 14387 1 13 . 1 1 60 60 THR CA C 72 64.194 64.194 66.051 -1.857 17614 14388 1 13 . 1 1 60 60 THR CB C 72 70.312 70.312 69.195 1.116 17614 14389 1 13 . 1 1 60 60 THR H H 72 7.745 7.745 7.651 0.094 17614 14390 1 13 . 1 1 61 61 GLU N N 73 120.577 120.577 118.428 2.149 17614 14391 1 13 . 1 1 61 61 GLU C C 73 177.696 177.696 175.933 1.763 17614 14392 1 13 . 1 1 61 61 GLU CA C 73 57.363 57.363 56.103 1.260 17614 14393 1 13 . 1 1 61 61 GLU CB C 73 30.927 30.927 31.946 -1.019 17614 14394 1 13 . 1 1 61 61 GLU H H 73 8.263 8.263 8.238 0.025 17614 14395 1 13 . 1 1 62 62 GLY N N 74 108.209 108.209 107.039 1.170 17614 14396 1 13 . 1 1 62 62 GLY CA C 74 45.593 45.593 44.573 1.020 17614 14397 1 13 . 1 1 62 62 GLY H H 74 7.841 7.841 7.483 0.358 17614 14398 1 13 . 1 1 63 63 PRO C C 75 177.152 177.152 178.570 -1.418 17614 14399 1 13 . 1 1 63 63 PRO CA C 75 65.652 65.652 64.433 1.220 17614 14400 1 13 . 1 1 63 63 PRO CB C 75 32.294 32.294 32.409 -0.115 17614 14401 1 13 . 1 1 64 64 ARG N N 76 118.553 118.553 118.197 0.356 17614 14402 1 13 . 1 1 64 64 ARG C C 76 177.696 177.696 177.206 0.490 17614 14403 1 13 . 1 1 64 64 ARG CA C 76 59.785 59.785 58.167 1.618 17614 14404 1 13 . 1 1 64 64 ARG CB C 76 29.671 29.671 29.529 0.142 17614 14405 1 13 . 1 1 64 64 ARG H H 76 8.427 8.427 8.570 -0.143 17614 14406 1 13 . 1 1 65 65 SER N N 77 115.323 115.323 113.576 1.747 17614 14407 1 13 . 1 1 65 65 SER C C 77 177.230 177.230 175.521 1.709 17614 14408 1 13 . 1 1 65 65 SER CA C 77 61.318 61.318 60.823 0.495 17614 14409 1 13 . 1 1 65 65 SER CB C 77 63.281 63.281 63.984 -0.703 17614 14410 1 13 . 1 1 65 65 SER H H 77 7.963 7.963 8.105 -0.142 17614 14411 1 13 . 1 1 66 66 LEU N N 78 122.598 122.598 120.543 2.055 17614 14412 1 13 . 1 1 66 66 LEU C C 78 177.696 177.696 178.428 -0.732 17614 14413 1 13 . 1 1 66 66 LEU CA C 78 57.792 57.792 57.055 0.737 17614 14414 1 13 . 1 1 66 66 LEU CB C 78 42.202 42.202 42.158 0.043 17614 14415 1 13 . 1 1 66 66 LEU H H 78 7.595 7.595 7.564 0.031 17614 14416 1 13 . 1 1 67 67 TYR N N 79 119.276 119.276 115.789 3.487 17614 14417 1 13 . 1 1 67 67 TYR C C 79 176.142 176.142 175.346 0.796 17614 14418 1 13 . 1 1 67 67 TYR CA C 79 60.792 60.792 58.848 1.944 17614 14419 1 13 . 1 1 67 67 TYR CB C 79 38.687 38.687 38.651 0.036 17614 14420 1 13 . 1 1 67 67 TYR H H 79 7.868 7.868 7.487 0.381 17614 14421 1 13 . 1 1 68 68 ASN N N 80 117.249 117.249 118.419 -1.170 17614 14422 1 13 . 1 1 68 68 ASN C C 80 178.472 178.472 175.603 2.869 17614 14423 1 13 . 1 1 68 68 ASN CA C 80 53.024 53.024 52.914 0.110 17614 14424 1 13 . 1 1 68 68 ASN CB C 80 37.946 37.946 38.908 -0.962 17614 14425 1 13 . 1 1 68 68 ASN H H 80 8.374 8.374 7.313 1.061 17614 14426 1 13 . 1 1 69 69 GLY N N 81 108.575 108.575 112.974 -4.399 17614 14427 1 13 . 1 1 69 69 GLY C C 81 175.521 175.521 175.330 0.191 17614 14428 1 13 . 1 1 69 69 GLY CA C 81 46.266 46.266 45.843 0.423 17614 14429 1 13 . 1 1 69 69 GLY H H 81 8.086 8.086 8.713 -0.627 17614 14430 1 13 . 1 1 70 70 LEU N N 82 124.326 124.326 120.460 3.866 17614 14431 1 13 . 1 1 70 70 LEU C C 82 178.239 178.239 177.786 0.453 17614 14432 1 13 . 1 1 70 70 LEU CA C 82 58.217 58.217 57.838 0.379 17614 14433 1 13 . 1 1 70 70 LEU CB C 82 42.351 42.351 40.695 1.656 17614 14434 1 13 . 1 1 70 70 LEU H H 82 7.991 7.991 7.861 0.130 17614 14435 1 13 . 1 1 71 71 VAL N N 83 117.727 117.727 118.709 -0.982 17614 14436 1 13 . 1 1 71 71 VAL C C 83 177.851 177.851 177.127 0.724 17614 14437 1 13 . 1 1 71 71 VAL CA C 83 64.113 64.113 64.300 -0.188 17614 14438 1 13 . 1 1 71 71 VAL CB C 83 31.924 31.924 30.992 0.932 17614 14439 1 13 . 1 1 71 71 VAL H H 83 8.004 8.004 8.087 -0.083 17614 14440 1 13 . 1 1 72 72 ALA N N 84 121.414 121.414 121.913 -0.499 17614 14441 1 13 . 1 1 72 72 ALA C C 84 180.570 180.570 179.960 0.610 17614 14442 1 13 . 1 1 72 72 ALA CA C 84 55.031 55.031 54.604 0.427 17614 14443 1 13 . 1 1 72 72 ALA CB C 84 18.286 18.286 18.480 -0.194 17614 14444 1 13 . 1 1 72 72 ALA H H 84 7.677 7.677 7.785 -0.108 17614 14445 1 13 . 1 1 73 73 GLY N N 85 106.471 106.471 107.747 -1.276 17614 14446 1 13 . 1 1 73 73 GLY C C 85 175.521 175.521 176.024 -0.503 17614 14447 1 13 . 1 1 73 73 GLY CA C 85 47.191 47.191 46.742 0.449 17614 14448 1 13 . 1 1 73 73 GLY H H 85 7.963 7.963 7.636 0.327 17614 14449 1 13 . 1 1 74 74 LEU N N 86 122.326 122.326 122.047 0.279 17614 14450 1 13 . 1 1 74 74 LEU C C 86 178.239 178.239 178.908 -0.669 17614 14451 1 13 . 1 1 74 74 LEU CA C 86 57.493 57.493 57.570 -0.077 17614 14452 1 13 . 1 1 74 74 LEU CB C 86 42.202 42.202 40.962 1.240 17614 14453 1 13 . 1 1 74 74 LEU H H 86 8.100 8.100 7.448 0.652 17614 14454 1 13 . 1 1 75 75 GLN N N 87 117.736 117.736 117.884 -0.148 17614 14455 1 13 . 1 1 75 75 GLN C C 87 177.340 177.340 178.394 -1.054 17614 14456 1 13 . 1 1 75 75 GLN CA C 87 57.787 57.787 58.883 -1.097 17614 14457 1 13 . 1 1 75 75 GLN CB C 87 28.942 28.942 28.214 0.728 17614 14458 1 13 . 1 1 75 75 GLN H H 87 8.004 8.004 7.791 0.213 17614 14459 1 13 . 1 1 76 76 ARG N N 88 118.107 118.107 119.552 -1.445 17614 14460 1 13 . 1 1 76 76 ARG C C 88 177.930 177.930 178.971 -1.041 17614 14461 1 13 . 1 1 76 76 ARG CA C 88 58.062 58.062 59.500 -1.438 17614 14462 1 13 . 1 1 76 76 ARG CB C 88 30.774 30.774 29.895 0.879 17614 14463 1 13 . 1 1 76 76 ARG H H 88 7.568 7.568 7.419 0.149 17614 14464 1 13 . 1 1 77 77 GLN N N 89 117.921 117.921 117.370 0.551 17614 14465 1 13 . 1 1 77 77 GLN C C 89 177.375 177.375 178.363 -0.988 17614 14466 1 13 . 1 1 77 77 GLN CA C 89 56.838 56.838 57.784 -0.946 17614 14467 1 13 . 1 1 77 77 GLN CB C 89 29.006 29.006 28.384 0.622 17614 14468 1 13 . 1 1 77 77 GLN H H 89 7.827 7.827 7.545 0.282 17614 14469 1 13 . 1 1 78 78 MET N N 90 118.378 118.378 120.087 -1.709 17614 14470 1 13 . 1 1 78 78 MET C C 90 176.365 176.365 178.273 -1.908 17614 14471 1 13 . 1 1 78 78 MET CA C 90 56.339 56.339 57.713 -1.374 17614 14472 1 13 . 1 1 78 78 MET CB C 90 33.444 33.444 32.356 1.088 17614 14473 1 13 . 1 1 78 78 MET H H 90 7.963 7.963 8.539 -0.576 17614 14474 1 13 . 1 1 79 79 SER N N 91 115.089 115.089 114.525 0.564 17614 14475 1 13 . 1 1 79 79 SER C C 91 175.899 175.899 176.383 -0.484 17614 14476 1 13 . 1 1 79 79 SER CA C 91 58.621 58.621 60.868 -2.248 17614 14477 1 13 . 1 1 79 79 SER CB C 91 64.337 64.337 63.005 1.333 17614 14478 1 13 . 1 1 79 79 SER H H 91 7.868 7.868 7.810 0.058 17614 14479 1 13 . 1 1 80 80 PHE N N 92 122.852 122.852 122.831 0.021 17614 14480 1 13 . 1 1 80 80 PHE C C 92 177.375 177.375 176.619 0.756 17614 14481 1 13 . 1 1 80 80 PHE CA C 92 59.095 59.095 61.064 -1.969 17614 14482 1 13 . 1 1 80 80 PHE CB C 92 38.937 38.937 38.981 -0.044 17614 14483 1 13 . 1 1 80 80 PHE H H 92 8.332 8.332 7.574 0.758 17614 14484 1 13 . 1 1 81 81 ALA N N 93 123.258 123.258 119.773 3.485 17614 14485 1 13 . 1 1 81 81 ALA C C 93 178.628 178.628 178.755 -0.127 17614 14486 1 13 . 1 1 81 81 ALA CA C 93 54.881 54.881 54.212 0.669 17614 14487 1 13 . 1 1 81 81 ALA CB C 93 17.902 17.902 18.104 -0.202 17614 14488 1 13 . 1 1 81 81 ALA H H 93 8.223 8.223 7.722 0.501 17614 14489 1 13 . 1 1 82 82 SER N N 94 112.886 112.886 115.219 -2.333 17614 14490 1 13 . 1 1 82 82 SER C C 94 176.831 176.831 177.100 -0.269 17614 14491 1 13 . 1 1 82 82 SER CA C 94 60.319 60.319 60.960 -0.641 17614 14492 1 13 . 1 1 82 82 SER CB C 94 63.611 63.611 63.602 0.009 17614 14493 1 13 . 1 1 82 82 SER H H 94 7.977 7.977 7.610 0.367 17614 14494 1 13 . 1 1 83 83 VAL N N 95 121.854 121.854 118.848 3.006 17614 14495 1 13 . 1 1 83 83 VAL C C 95 176.220 176.220 176.578 -0.358 17614 14496 1 13 . 1 1 83 83 VAL CA C 95 64.629 64.629 64.897 -0.268 17614 14497 1 13 . 1 1 83 83 VAL CB C 95 31.328 31.328 30.695 0.632 17614 14498 1 13 . 1 1 83 83 VAL H H 95 7.581 7.581 8.037 -0.456 17614 14499 1 13 . 1 1 84 84 ARG N N 96 121.329 121.329 119.157 2.172 17614 14500 1 13 . 1 1 84 84 ARG C C 96 176.814 176.814 177.106 -0.292 17614 14501 1 13 . 1 1 84 84 ARG CA C 96 58.636 58.636 57.568 1.068 17614 14502 1 13 . 1 1 84 84 ARG CB C 96 30.672 30.672 29.279 1.393 17614 14503 1 13 . 1 1 84 84 ARG H H 96 7.936 7.936 7.178 0.758 17614 14504 1 13 . 1 1 85 85 ILE N N 97 119.194 119.194 117.965 1.229 17614 14505 1 13 . 1 1 85 85 ILE C C 97 177.152 177.152 176.127 1.025 17614 14506 1 13 . 1 1 85 85 ILE CA C 97 63.296 63.296 62.096 1.200 17614 14507 1 13 . 1 1 85 85 ILE CB C 97 38.757 38.757 38.610 0.147 17614 14508 1 13 . 1 1 85 85 ILE H H 97 7.802 7.802 7.413 0.389 17614 14509 1 13 . 1 1 86 86 GLY N N 98 109.857 109.857 107.670 2.187 17614 14510 1 13 . 1 1 86 86 GLY C C 98 176.064 176.064 175.163 0.901 17614 14511 1 13 . 1 1 86 86 GLY CA C 98 46.941 46.941 46.031 0.910 17614 14512 1 13 . 1 1 86 86 GLY H H 98 8.127 8.127 7.715 0.412 17614 14513 1 13 . 1 1 87 87 LEU N N 99 123.258 123.258 122.253 1.005 17614 14514 1 13 . 1 1 87 87 LEU C C 99 177.856 177.856 178.174 -0.318 17614 14515 1 13 . 1 1 87 87 LEU CA C 99 58.264 58.264 56.769 1.495 17614 14516 1 13 . 1 1 87 87 LEU CB C 99 42.488 42.488 40.829 1.659 17614 14517 1 13 . 1 1 87 87 LEU H H 99 8.223 8.223 7.974 0.249 17614 14518 1 13 . 1 1 88 88 TYR N N 100 119.770 119.770 120.658 -0.888 17614 14519 1 13 . 1 1 88 88 TYR C C 100 176.997 176.997 176.973 0.024 17614 14520 1 13 . 1 1 88 88 TYR CA C 100 61.592 61.592 62.553 -0.961 17614 14521 1 13 . 1 1 88 88 TYR CB C 100 38.809 38.809 38.427 0.382 17614 14522 1 13 . 1 1 88 88 TYR H H 100 8.207 8.207 8.073 0.134 17614 14523 1 13 . 1 1 89 89 ASP N N 101 118.460 118.460 118.690 -0.230 17614 14524 1 13 . 1 1 89 89 ASP C C 101 178.939 178.939 178.627 0.312 17614 14525 1 13 . 1 1 89 89 ASP CA C 101 57.797 57.797 57.650 0.147 17614 14526 1 13 . 1 1 89 89 ASP CB C 101 40.498 40.498 40.088 0.410 17614 14527 1 13 . 1 1 89 89 ASP H H 101 8.401 8.401 8.716 -0.315 17614 14528 1 13 . 1 1 90 90 SER N N 102 116.022 116.022 116.509 -0.487 17614 14529 1 13 . 1 1 90 90 SER C C 102 176.005 176.005 176.088 -0.083 17614 14530 1 13 . 1 1 90 90 SER CA C 102 62.791 62.791 61.645 1.147 17614 14531 1 13 . 1 1 90 90 SER CB C 102 64.211 64.211 63.291 0.920 17614 14532 1 13 . 1 1 90 90 SER H H 102 7.854 7.854 7.658 0.196 17614 14533 1 13 . 1 1 91 91 VAL N N 103 120.844 120.844 120.929 -0.085 17614 14534 1 13 . 1 1 91 91 VAL C C 103 177.307 177.307 176.726 0.581 17614 14535 1 13 . 1 1 91 91 VAL CA C 103 66.510 66.510 64.488 2.022 17614 14536 1 13 . 1 1 91 91 VAL CB C 103 31.965 31.965 31.892 0.073 17614 14537 1 13 . 1 1 91 91 VAL H H 103 7.926 7.926 7.513 0.413 17614 14538 1 13 . 1 1 92 92 LYS N N 104 120.468 120.468 119.583 0.885 17614 14539 1 13 . 1 1 92 92 LYS C C 104 178.861 178.861 178.968 -0.107 17614 14540 1 13 . 1 1 92 92 LYS CA C 104 60.184 60.184 59.825 0.359 17614 14541 1 13 . 1 1 92 92 LYS CB C 104 31.979 31.979 32.146 -0.167 17614 14542 1 13 . 1 1 92 92 LYS H H 104 8.127 8.127 7.725 0.402 17614 14543 1 13 . 1 1 93 93 GLN N N 105 118.386 118.386 117.085 1.301 17614 14544 1 13 . 1 1 93 93 GLN C C 105 177.540 177.540 177.652 -0.112 17614 14545 1 13 . 1 1 93 93 GLN CA C 105 58.786 58.786 57.880 0.906 17614 14546 1 13 . 1 1 93 93 GLN CB C 105 28.377 28.377 28.714 -0.337 17614 14547 1 13 . 1 1 93 93 GLN H H 105 7.841 7.841 8.007 -0.166 17614 14548 1 13 . 1 1 94 94 PHE N N 106 119.471 119.471 117.835 1.636 17614 14549 1 13 . 1 1 94 94 PHE C C 106 176.531 176.531 175.349 1.182 17614 14550 1 13 . 1 1 94 94 PHE CA C 106 60.593 60.593 59.813 0.780 17614 14551 1 13 . 1 1 94 94 PHE CB C 106 39.459 39.459 39.340 0.119 17614 14552 1 13 . 1 1 94 94 PHE H H 106 7.772 7.772 7.557 0.215 17614 14553 1 13 . 1 1 95 95 TYR N N 107 118.288 118.288 114.646 3.642 17614 14554 1 13 . 1 1 95 95 TYR C C 107 176.220 176.220 176.180 0.040 17614 14555 1 13 . 1 1 95 95 TYR CA C 107 60.543 60.543 58.820 1.723 17614 14556 1 13 . 1 1 95 95 TYR CB C 107 38.819 38.819 40.205 -1.386 17614 14557 1 13 . 1 1 95 95 TYR H H 107 8.045 8.045 7.314 0.731 17614 14558 1 13 . 1 1 96 96 THR N N 108 113.383 113.383 113.485 -0.102 17614 14559 1 13 . 1 1 96 96 THR C C 108 175.288 175.288 176.406 -1.118 17614 14560 1 13 . 1 1 96 96 THR CA C 108 64.094 64.094 60.930 3.164 17614 14561 1 13 . 1 1 96 96 THR CB C 108 69.986 69.986 68.035 1.951 17614 14562 1 13 . 1 1 96 96 THR H H 108 7.868 7.868 7.674 0.194 17614 14563 1 13 . 1 1 101 101 HIS C C 113 173.413 173.413 173.688 -0.275 17614 14564 1 13 . 1 1 101 101 HIS H H 113 7.968 7.968 8.186 -0.218 17614 14565 1 13 . 1 1 102 102 ALA N N 114 119.456 119.456 118.857 0.599 17614 14566 1 13 . 1 1 102 102 ALA C C 114 177.851 177.851 175.930 1.921 17614 14567 1 13 . 1 1 102 102 ALA CA C 114 53.283 53.283 51.719 1.564 17614 14568 1 13 . 1 1 102 102 ALA CB C 114 19.362 19.362 19.490 -0.128 17614 14569 1 13 . 1 1 102 102 ALA H H 114 8.433 8.433 7.416 1.017 17614 14570 1 13 . 1 1 103 103 GLY N N 115 108.484 108.484 104.684 3.800 17614 14571 1 13 . 1 1 103 103 GLY C C 115 174.822 174.822 174.964 -0.142 17614 14572 1 13 . 1 1 103 103 GLY CA C 115 45.968 45.968 45.249 0.719 17614 14573 1 13 . 1 1 103 103 GLY H H 115 8.250 8.250 8.119 0.131 17614 14574 1 13 . 1 1 104 104 ILE N N 116 121.139 121.139 122.464 -1.325 17614 14575 1 13 . 1 1 104 104 ILE C C 116 176.841 176.841 178.078 -1.237 17614 14576 1 13 . 1 1 104 104 ILE CA C 116 63.160 63.160 63.184 -0.024 17614 14577 1 13 . 1 1 104 104 ILE CB C 116 38.853 38.853 36.922 1.931 17614 14578 1 13 . 1 1 104 104 ILE H H 116 8.127 8.127 8.311 -0.184 17614 14579 1 13 . 1 1 105 105 GLY N N 117 110.863 110.863 107.377 3.486 17614 14580 1 13 . 1 1 105 105 GLY C C 117 174.588 174.588 176.580 -1.992 17614 14581 1 13 . 1 1 105 105 GLY CA C 117 46.791 46.791 47.420 -0.630 17614 14582 1 13 . 1 1 105 105 GLY H H 117 8.509 8.509 8.393 0.116 17614 14583 1 13 . 1 1 106 106 SER N N 118 116.069 116.069 117.717 -1.648 17614 14584 1 13 . 1 1 106 106 SER C C 118 175.754 175.754 176.907 -1.153 17614 14585 1 13 . 1 1 106 106 SER CA C 118 60.319 60.319 61.820 -1.501 17614 14586 1 13 . 1 1 106 106 SER CB C 118 63.864 63.864 63.045 0.819 17614 14587 1 13 . 1 1 106 106 SER H H 118 7.991 7.991 8.006 -0.015 17614 14588 1 13 . 1 1 107 107 ARG N N 119 122.134 122.134 120.710 1.424 17614 14589 1 13 . 1 1 107 107 ARG C C 119 178.228 178.228 178.610 -0.382 17614 14590 1 13 . 1 1 107 107 ARG CA C 119 57.787 57.787 58.428 -0.641 17614 14591 1 13 . 1 1 107 107 ARG CB C 119 30.549 30.549 29.623 0.926 17614 14592 1 13 . 1 1 107 107 ARG H H 119 7.963 7.963 8.601 -0.638 17614 14593 1 13 . 1 1 108 108 LEU N N 120 120.403 120.403 122.608 -2.205 17614 14594 1 13 . 1 1 108 108 LEU C C 120 177.230 177.230 178.945 -1.715 17614 14595 1 13 . 1 1 108 108 LEU CA C 120 57.967 57.967 57.857 0.110 17614 14596 1 13 . 1 1 108 108 LEU CB C 120 42.146 42.146 41.613 0.533 17614 14597 1 13 . 1 1 108 108 LEU H H 120 7.914 7.914 7.840 0.074 17614 14598 1 13 . 1 1 109 109 LEU N N 121 118.960 118.960 119.912 -0.952 17614 14599 1 13 . 1 1 109 109 LEU C C 121 177.152 177.152 179.326 -2.174 17614 14600 1 13 . 1 1 109 109 LEU CA C 121 55.495 55.495 58.113 -2.618 17614 14601 1 13 . 1 1 109 109 LEU CB C 121 42.238 42.238 41.467 0.771 17614 14602 1 13 . 1 1 109 109 LEU H H 121 7.718 7.718 8.392 -0.674 17614 14603 1 13 . 1 1 110 110 ALA N N 122 123.063 123.063 121.490 1.573 17614 14604 1 13 . 1 1 110 110 ALA C C 122 178.317 178.317 179.786 -1.469 17614 14605 1 13 . 1 1 110 110 ALA CA C 122 53.358 53.358 55.514 -2.155 17614 14606 1 13 . 1 1 110 110 ALA CB C 122 19.218 19.218 18.117 1.101 17614 14607 1 13 . 1 1 110 110 ALA H H 122 7.745 7.745 8.984 -1.239 17614 14608 1 13 . 1 1 111 111 GLY N N 123 107.843 107.843 106.727 1.116 17614 14609 1 13 . 1 1 111 111 GLY C C 123 176.912 176.912 176.484 0.428 17614 14610 1 13 . 1 1 111 111 GLY CA C 123 45.943 45.943 47.186 -1.243 17614 14611 1 13 . 1 1 111 111 GLY H H 123 8.113 8.113 9.010 -0.897 17614 14612 1 13 . 1 1 112 112 SER N N 124 116.105 116.105 117.388 -1.283 17614 14613 1 13 . 1 1 112 112 SER C C 124 175.574 175.574 176.803 -1.229 17614 14614 1 13 . 1 1 112 112 SER CA C 124 59.145 59.145 62.233 -3.088 17614 14615 1 13 . 1 1 112 112 SER CB C 124 64.211 64.211 62.739 1.472 17614 14616 1 13 . 1 1 112 112 SER H H 124 8.109 8.109 8.409 -0.300 17614 14617 1 13 . 1 1 113 113 THR N N 125 116.069 116.069 119.608 -3.539 17614 14618 1 13 . 1 1 113 113 THR C C 125 176.055 176.055 176.626 -0.571 17614 14619 1 13 . 1 1 113 113 THR CA C 125 66.921 66.921 66.763 0.158 17614 14620 1 13 . 1 1 113 113 THR CB C 125 69.682 69.682 68.591 1.091 17614 14621 1 13 . 1 1 113 113 THR H H 125 8.086 8.086 8.316 -0.230 17614 14622 1 13 . 1 1 114 114 THR N N 126 115.439 115.439 117.094 -1.655 17614 14623 1 13 . 1 1 114 114 THR C C 126 177.443 177.443 176.506 0.937 17614 14624 1 13 . 1 1 114 114 THR CA C 126 65.285 65.285 66.144 -0.859 17614 14625 1 13 . 1 1 114 114 THR CB C 126 68.364 68.364 68.410 -0.046 17614 14626 1 13 . 1 1 114 114 THR H H 126 7.977 7.977 8.474 -0.497 17614 14627 1 13 . 1 1 115 115 GLY N N 127 115.453 115.453 108.305 7.148 17614 14628 1 13 . 1 1 115 115 GLY C C 127 174.215 174.215 175.096 -0.881 17614 14629 1 13 . 1 1 115 115 GLY CA C 127 46.117 46.117 46.916 -0.799 17614 14630 1 13 . 1 1 115 115 GLY H H 127 8.168 8.168 8.101 0.067 17614 14631 1 13 . 1 1 116 116 ALA N N 128 123.952 123.952 124.409 -0.457 17614 14632 1 13 . 1 1 116 116 ALA C C 128 178.162 178.162 179.637 -1.475 17614 14633 1 13 . 1 1 116 116 ALA CA C 128 53.349 53.349 54.872 -1.523 17614 14634 1 13 . 1 1 116 116 ALA CB C 128 19.099 19.099 18.274 0.825 17614 14635 1 13 . 1 1 116 116 ALA H H 128 7.919 7.919 7.484 0.435 17614 14636 1 13 . 1 1 117 117 LEU N N 129 120.025 120.025 119.256 0.769 17614 14637 1 13 . 1 1 117 117 LEU C C 129 177.949 177.949 178.892 -0.943 17614 14638 1 13 . 1 1 117 117 LEU CA C 129 56.019 56.019 57.039 -1.020 17614 14639 1 13 . 1 1 117 117 LEU CB C 129 42.340 42.340 40.890 1.450 17614 14640 1 13 . 1 1 117 117 LEU H H 129 7.936 7.936 7.566 0.370 17614 14641 1 13 . 1 1 118 118 ALA N N 130 123.402 123.402 121.729 1.673 17614 14642 1 13 . 1 1 118 118 ALA C C 130 177.929 177.929 179.880 -1.951 17614 14643 1 13 . 1 1 118 118 ALA CA C 130 53.283 53.283 55.071 -1.788 17614 14644 1 13 . 1 1 118 118 ALA CB C 130 18.964 18.964 18.276 0.688 17614 14645 1 13 . 1 1 118 118 ALA H H 130 7.868 7.868 8.344 -0.476 17614 14646 1 13 . 1 1 119 119 VAL N N 131 118.111 118.111 117.655 0.456 17614 14647 1 13 . 1 1 119 119 VAL C C 131 176.025 176.025 177.538 -1.513 17614 14648 1 13 . 1 1 119 119 VAL CA C 131 63.180 63.180 65.416 -2.236 17614 14649 1 13 . 1 1 119 119 VAL CB C 131 32.898 32.898 30.889 2.009 17614 14650 1 13 . 1 1 119 119 VAL H H 131 7.636 7.636 8.166 -0.530 17614 14651 1 13 . 1 1 120 120 ALA N N 132 124.047 124.047 122.141 1.906 17614 14652 1 13 . 1 1 120 120 ALA C C 132 179.008 179.008 178.603 0.405 17614 14653 1 13 . 1 1 120 120 ALA CA C 132 53.707 53.707 54.771 -1.064 17614 14654 1 13 . 1 1 120 120 ALA CB C 132 19.150 19.150 18.798 0.352 17614 14655 1 13 . 1 1 120 120 ALA H H 132 7.911 7.911 7.561 0.350 17614 14656 1 13 . 1 1 121 121 VAL N N 133 113.349 113.349 119.152 -5.803 17614 14657 1 13 . 1 1 121 121 VAL C C 133 175.527 175.527 176.886 -1.359 17614 14658 1 13 . 1 1 121 121 VAL CA C 133 64.115 64.115 64.303 -0.188 17614 14659 1 13 . 1 1 121 121 VAL CB C 133 31.832 31.832 32.275 -0.443 17614 14660 1 13 . 1 1 121 121 VAL H H 133 7.094 7.094 7.654 -0.560 17614 14661 1 13 . 1 1 122 122 ALA N N 134 123.224 123.224 120.809 2.415 17614 14662 1 13 . 1 1 122 122 ALA CA C 134 55.493 55.493 50.955 4.538 17614 14663 1 13 . 1 1 122 122 ALA H H 134 7.586 7.586 7.521 0.065 17614 14664 1 13 . 1 1 124 124 PRO C C 136 177.074 177.074 178.406 -1.332 17614 14665 1 13 . 1 1 125 125 THR N N 137 113.281 113.281 113.083 0.198 17614 14666 1 13 . 1 1 125 125 THR C C 137 174.485 174.485 176.562 -2.077 17614 14667 1 13 . 1 1 125 125 THR CA C 137 64.496 64.496 66.679 -2.183 17614 14668 1 13 . 1 1 125 125 THR CB C 137 69.997 69.997 68.339 1.658 17614 14669 1 13 . 1 1 125 125 THR H H 137 7.963 7.963 8.066 -0.103 17614 14670 1 13 . 1 1 126 126 ASP N N 138 122.770 122.770 121.983 0.787 17614 14671 1 13 . 1 1 126 126 ASP C C 138 178.458 178.458 178.336 0.122 17614 14672 1 13 . 1 1 126 126 ASP CA C 138 56.776 56.776 57.056 -0.280 17614 14673 1 13 . 1 1 126 126 ASP CB C 138 41.023 41.023 40.800 0.223 17614 14674 1 13 . 1 1 126 126 ASP H H 138 8.094 8.094 7.505 0.589 17614 14675 1 13 . 1 1 127 127 VAL N N 139 119.931 119.931 119.710 0.221 17614 14676 1 13 . 1 1 127 127 VAL C C 139 177.502 177.502 177.450 0.052 17614 14677 1 13 . 1 1 127 127 VAL CA C 139 66.455 66.455 66.005 0.450 17614 14678 1 13 . 1 1 127 127 VAL CB C 139 32.804 32.804 32.089 0.715 17614 14679 1 13 . 1 1 127 127 VAL H H 139 7.753 7.753 7.679 0.074 17614 14680 1 13 . 1 1 128 128 VAL N N 140 120.539 120.539 116.945 3.594 17614 14681 1 13 . 1 1 128 128 VAL C C 140 176.232 176.232 177.859 -1.627 17614 14682 1 13 . 1 1 128 128 VAL CA C 140 66.770 66.770 66.713 0.057 17614 14683 1 13 . 1 1 128 128 VAL CB C 140 32.086 32.086 30.611 1.475 17614 14684 1 13 . 1 1 128 128 VAL H H 140 8.295 8.295 7.642 0.653 17614 14685 1 13 . 1 1 129 129 LYS N N 141 120.122 120.122 121.167 -1.045 17614 14686 1 13 . 1 1 129 129 LYS C C 141 176.120 176.120 179.115 -2.995 17614 14687 1 13 . 1 1 129 129 LYS CA C 141 55.991 55.991 59.745 -3.755 17614 14688 1 13 . 1 1 129 129 LYS CB C 141 31.712 31.712 31.996 -0.284 17614 14689 1 13 . 1 1 129 129 LYS H H 141 7.698 7.698 7.522 0.176 17614 14690 1 13 . 1 1 130 130 VAL N N 142 120.104 120.104 118.974 1.130 17614 14691 1 13 . 1 1 130 130 VAL CA C 142 63.230 63.230 66.275 -3.045 17614 14692 1 13 . 1 1 130 130 VAL H H 142 7.772 7.772 7.630 0.142 17614 14693 1 13 . 1 1 131 131 ARG C C 143 178.401 178.401 178.883 -0.482 17614 14694 1 13 . 1 1 131 131 ARG H H 143 7.999 7.999 7.775 0.224 17614 14695 1 13 . 1 1 132 132 PHE N N 144 120.445 120.445 121.094 -0.649 17614 14696 1 13 . 1 1 132 132 PHE C C 144 177.856 177.856 177.381 0.475 17614 14697 1 13 . 1 1 132 132 PHE CA C 144 61.438 61.438 60.906 0.533 17614 14698 1 13 . 1 1 132 132 PHE H H 144 8.395 8.395 8.742 -0.347 17614 14699 1 13 . 1 1 133 133 GLN N N 145 124.180 124.180 119.015 5.165 17614 14700 1 13 . 1 1 133 133 GLN C C 145 174.844 174.844 177.523 -2.679 17614 14701 1 13 . 1 1 133 133 GLN CA C 145 56.414 56.414 58.911 -2.498 17614 14702 1 13 . 1 1 133 133 GLN CB C 145 30.721 30.721 29.058 1.663 17614 14703 1 13 . 1 1 133 133 GLN H H 145 8.094 8.094 7.896 0.198 17614 14704 1 13 . 1 1 134 134 ALA N N 146 120.452 120.452 120.429 0.023 17614 14705 1 13 . 1 1 134 134 ALA C C 146 177.929 177.929 177.744 0.185 17614 14706 1 13 . 1 1 134 134 ALA CA C 146 53.483 53.483 53.364 0.119 17614 14707 1 13 . 1 1 134 134 ALA CB C 146 18.431 18.431 18.660 -0.230 17614 14708 1 13 . 1 1 134 134 ALA H H 146 7.939 7.939 7.354 0.585 17614 14709 1 13 . 1 1 135 135 GLN N N 147 119.388 119.388 120.269 -0.881 17614 14710 1 13 . 1 1 135 135 GLN C C 147 176.029 176.029 175.306 0.723 17614 14711 1 13 . 1 1 135 135 GLN CA C 147 56.339 56.339 55.696 0.643 17614 14712 1 13 . 1 1 135 135 GLN CB C 147 29.444 29.444 28.608 0.836 17614 14713 1 13 . 1 1 135 135 GLN H H 147 8.072 8.072 7.464 0.608 17614 14714 1 13 . 1 1 136 136 ALA N N 148 125.199 125.199 130.112 -4.913 17614 14715 1 13 . 1 1 136 136 ALA C C 148 177.766 177.766 177.107 0.659 17614 14716 1 13 . 1 1 136 136 ALA CA C 148 53.108 53.108 53.164 -0.056 17614 14717 1 13 . 1 1 136 136 ALA CB C 148 19.151 19.151 18.538 0.613 17614 14718 1 13 . 1 1 136 136 ALA H H 148 8.055 8.055 8.567 -0.512 17614 14719 1 13 . 1 1 137 137 ARG N N 149 120.208 120.208 119.752 0.456 17614 14720 1 13 . 1 1 137 137 ARG CA C 149 56.414 56.414 58.496 -2.083 17614 14721 1 13 . 1 1 137 137 ARG CB C 149 30.749 30.749 29.101 1.648 17614 14722 1 13 . 1 1 137 137 ARG H H 149 8.018 8.018 8.372 -0.354 17614 14723 1 13 . 1 1 147 147 THR C C 159 175.928 175.928 176.399 -0.471 17614 14724 1 13 . 1 1 148 148 VAL N N 160 118.321 118.321 121.369 -3.048 17614 14725 1 13 . 1 1 148 148 VAL C C 160 177.749 177.749 177.222 0.527 17614 14726 1 13 . 1 1 148 148 VAL CA C 160 64.126 64.126 65.342 -1.216 17614 14727 1 13 . 1 1 148 148 VAL CB C 160 31.343 31.343 31.465 -0.122 17614 14728 1 13 . 1 1 148 148 VAL H H 160 8.073 8.073 8.076 -0.003 17614 14729 1 13 . 1 1 149 149 GLU N N 161 122.379 122.379 120.155 2.224 17614 14730 1 13 . 1 1 149 149 GLU C C 161 178.783 178.783 178.628 0.155 17614 14731 1 13 . 1 1 149 149 GLU CA C 161 59.550 59.550 59.045 0.505 17614 14732 1 13 . 1 1 149 149 GLU CB C 161 29.597 29.597 28.488 1.109 17614 14733 1 13 . 1 1 149 149 GLU H H 161 8.204 8.204 7.765 0.439 17614 14734 1 13 . 1 1 150 150 ALA N N 162 122.845 122.845 122.696 0.149 17614 14735 1 13 . 1 1 150 150 ALA C C 162 179.948 179.948 179.708 0.240 17614 14736 1 13 . 1 1 150 150 ALA CA C 162 55.181 55.181 54.895 0.286 17614 14737 1 13 . 1 1 150 150 ALA CB C 162 18.154 18.154 18.122 0.032 17614 14738 1 13 . 1 1 150 150 ALA H H 162 7.786 7.786 8.292 -0.506 17614 14739 1 13 . 1 1 151 151 TYR N N 163 118.902 118.902 119.393 -0.491 17614 14740 1 13 . 1 1 151 151 TYR C C 163 177.273 177.273 178.061 -0.788 17614 14741 1 13 . 1 1 151 151 TYR CA C 163 61.068 61.068 61.968 -0.900 17614 14742 1 13 . 1 1 151 151 TYR CB C 163 37.898 37.898 38.748 -0.850 17614 14743 1 13 . 1 1 151 151 TYR H H 163 7.922 7.922 7.914 0.008 17614 14744 1 13 . 1 1 152 152 LYS N N 164 119.939 119.939 117.516 2.423 17614 14745 1 13 . 1 1 152 152 LYS C C 164 178.239 178.239 179.198 -0.959 17614 14746 1 13 . 1 1 152 152 LYS CA C 164 60.309 60.309 59.084 1.225 17614 14747 1 13 . 1 1 152 152 LYS CB C 164 32.504 32.504 32.047 0.457 17614 14748 1 13 . 1 1 152 152 LYS H H 164 8.223 8.223 7.515 0.708 17614 14749 1 13 . 1 1 153 153 THR N N 165 115.262 115.262 115.407 -0.145 17614 14750 1 13 . 1 1 153 153 THR C C 165 175.676 175.676 176.563 -0.887 17614 14751 1 13 . 1 1 153 153 THR CA C 165 66.516 66.516 65.852 0.664 17614 14752 1 13 . 1 1 153 153 THR CB C 165 69.367 69.367 68.704 0.663 17614 14753 1 13 . 1 1 153 153 THR H H 165 7.745 7.745 8.094 -0.349 17614 14754 1 13 . 1 1 154 154 ILE N N 166 121.571 121.571 117.802 3.769 17614 14755 1 13 . 1 1 154 154 ILE C C 166 177.307 177.307 177.105 0.202 17614 14756 1 13 . 1 1 154 154 ILE CA C 166 64.634 64.634 64.680 -0.046 17614 14757 1 13 . 1 1 154 154 ILE CB C 166 38.896 38.896 37.101 1.795 17614 14758 1 13 . 1 1 154 154 ILE H H 166 7.540 7.540 7.392 0.148 17614 14759 1 13 . 1 1 155 155 ALA N N 167 121.983 121.983 123.442 -1.459 17614 14760 1 13 . 1 1 155 155 ALA C C 167 178.395 178.395 179.263 -0.868 17614 14761 1 13 . 1 1 155 155 ALA CA C 167 54.656 54.656 54.626 0.030 17614 14762 1 13 . 1 1 155 155 ALA CB C 167 18.486 18.486 18.161 0.325 17614 14763 1 13 . 1 1 155 155 ALA H H 167 8.059 8.059 7.717 0.342 17614 14764 1 13 . 1 1 156 156 ARG N N 168 116.369 116.369 118.454 -2.085 17614 14765 1 13 . 1 1 156 156 ARG C C 168 177.307 177.307 178.686 -1.379 17614 14766 1 13 . 1 1 156 156 ARG CA C 168 58.486 58.486 58.785 -0.299 17614 14767 1 13 . 1 1 156 156 ARG CB C 168 30.930 30.930 30.124 0.806 17614 14768 1 13 . 1 1 156 156 ARG H H 168 7.690 7.690 7.875 -0.185 17614 14769 1 13 . 1 1 157 157 GLU N N 169 118.667 118.667 117.690 0.977 17614 14770 1 13 . 1 1 157 157 GLU C C 169 177.696 177.696 178.311 -0.615 17614 14771 1 13 . 1 1 157 157 GLU CA C 169 58.212 58.212 58.618 -0.406 17614 14772 1 13 . 1 1 157 157 GLU CB C 169 30.357 30.357 29.978 0.379 17614 14773 1 13 . 1 1 157 157 GLU H H 169 8.045 8.045 7.633 0.412 17614 14774 1 13 . 1 1 158 158 GLU N N 170 118.202 118.202 117.964 0.238 17614 14775 1 13 . 1 1 158 158 GLU C C 170 177.878 177.878 177.264 0.614 17614 14776 1 13 . 1 1 158 158 GLU CA C 170 57.363 57.363 56.464 0.899 17614 14777 1 13 . 1 1 158 158 GLU CB C 170 31.277 31.277 30.677 0.600 17614 14778 1 13 . 1 1 158 158 GLU H H 170 8.550 8.550 8.267 0.283 17614 14779 1 13 . 1 1 159 159 GLY N N 171 108.941 108.941 108.597 0.344 17614 14780 1 13 . 1 1 159 159 GLY C C 171 174.433 174.433 174.620 -0.187 17614 14781 1 13 . 1 1 159 159 GLY CA C 171 45.193 45.193 44.265 0.928 17614 14782 1 13 . 1 1 159 159 GLY H H 171 7.881 7.881 7.554 0.327 17614 14783 1 13 . 1 1 160 160 ILE N N 172 120.842 120.842 121.262 -0.420 17614 14784 1 13 . 1 1 160 160 ILE C C 172 176.997 176.997 177.013 -0.016 17614 14785 1 13 . 1 1 160 160 ILE CA C 172 63.810 63.810 63.449 0.361 17614 14786 1 13 . 1 1 160 160 ILE CB C 172 38.516 38.516 38.152 0.364 17614 14787 1 13 . 1 1 160 160 ILE H H 172 8.550 8.550 8.367 0.183 17614 14788 1 13 . 1 1 161 161 ARG N N 173 119.480 119.480 120.224 -0.744 17614 14789 1 13 . 1 1 161 161 ARG C C 173 178.084 178.084 178.454 -0.370 17614 14790 1 13 . 1 1 161 161 ARG CA C 173 58.711 58.711 59.105 -0.394 17614 14791 1 13 . 1 1 161 161 ARG CB C 173 29.796 29.796 29.172 0.624 17614 14792 1 13 . 1 1 161 161 ARG H H 173 8.277 8.277 8.522 -0.245 17614 14793 1 13 . 1 1 162 162 GLY N N 174 106.379 106.379 107.665 -1.286 17614 14794 1 13 . 1 1 162 162 GLY C C 174 175.210 175.210 176.276 -1.066 17614 14795 1 13 . 1 1 162 162 GLY CA C 174 46.767 46.767 46.929 -0.162 17614 14796 1 13 . 1 1 162 162 GLY H H 174 7.690 7.690 8.947 -1.257 17614 14797 1 13 . 1 1 163 163 LEU N N 175 120.664 120.664 120.833 -0.169 17614 14798 1 13 . 1 1 163 163 LEU C C 175 177.971 177.971 178.607 -0.636 17614 14799 1 13 . 1 1 163 163 LEU CA C 175 57.104 57.104 56.592 0.512 17614 14800 1 13 . 1 1 163 163 LEU CB C 175 42.559 42.559 41.654 0.905 17614 14801 1 13 . 1 1 163 163 LEU H H 175 7.554 7.554 7.346 0.208 17614 14802 1 13 . 1 1 164 164 TRP N N 176 117.031 117.031 118.193 -1.162 17614 14803 1 13 . 1 1 164 164 TRP C C 176 176.987 176.987 178.416 -1.429 17614 14804 1 13 . 1 1 164 164 TRP CA C 176 57.672 57.672 57.913 -0.241 17614 14805 1 13 . 1 1 164 164 TRP CB C 176 29.796 29.796 28.335 1.460 17614 14806 1 13 . 1 1 164 164 TRP H H 176 7.499 7.499 7.871 -0.372 17614 14807 1 13 . 1 1 165 165 LYS N N 177 120.567 120.567 119.956 0.611 17614 14808 1 13 . 1 1 165 165 LYS C C 177 177.152 177.152 178.130 -0.978 17614 14809 1 13 . 1 1 165 165 LYS CA C 177 57.712 57.712 59.561 -1.849 17614 14810 1 13 . 1 1 165 165 LYS CB C 177 32.890 32.890 31.858 1.032 17614 14811 1 13 . 1 1 165 165 LYS H H 177 7.595 7.595 7.498 0.097 17614 14812 1 13 . 1 1 166 166 GLY N N 178 108.667 108.667 104.983 3.684 17614 14813 1 13 . 1 1 166 166 GLY C C 178 174.045 174.045 175.323 -1.278 17614 14814 1 13 . 1 1 166 166 GLY CA C 178 45.893 45.893 45.662 0.231 17614 14815 1 13 . 1 1 166 166 GLY H H 178 7.881 7.881 8.262 -0.381 17614 14816 1 13 . 1 1 167 167 THR N N 179 115.080 115.080 116.416 -1.336 17614 14817 1 13 . 1 1 167 167 THR C C 179 175.192 175.192 176.654 -1.462 17614 14818 1 13 . 1 1 167 167 THR CA C 179 66.521 66.521 65.199 1.322 17614 14819 1 13 . 1 1 167 167 THR CB C 179 70.079 70.079 68.413 1.666 17614 14820 1 13 . 1 1 167 167 THR H H 179 7.622 7.622 7.740 -0.118 17614 14821 1 13 . 1 1 168 168 SER N N 180 117.754 117.754 116.894 0.860 17614 14822 1 13 . 1 1 168 168 SER CA C 180 63.123 63.123 62.728 0.395 17614 14823 1 13 . 1 1 168 168 SER CB C 180 62.045 62.045 62.051 -0.006 17614 14824 1 13 . 1 1 168 168 SER H H 180 8.195 8.195 7.846 0.349 17614 14825 1 13 . 1 1 170 170 ASN C C 182 177.348 177.348 177.753 -0.405 17614 14826 1 13 . 1 1 171 171 VAL N N 183 118.118 118.118 120.096 -1.978 17614 14827 1 13 . 1 1 171 171 VAL C C 183 176.944 176.944 177.516 -0.572 17614 14828 1 13 . 1 1 171 171 VAL CA C 183 65.244 65.244 66.432 -1.188 17614 14829 1 13 . 1 1 171 171 VAL CB C 183 32.508 32.508 31.640 0.869 17614 14830 1 13 . 1 1 171 171 VAL H H 183 7.861 7.861 7.687 0.174 17614 14831 1 13 . 1 1 172 172 ALA N N 184 122.284 122.284 121.672 0.612 17614 14832 1 13 . 1 1 172 172 ALA C C 184 178.317 178.317 179.512 -1.195 17614 14833 1 13 . 1 1 172 172 ALA CA C 184 55.339 55.339 55.230 0.109 17614 14834 1 13 . 1 1 172 172 ALA CB C 184 28.230 28.230 18.188 10.042 17614 14835 1 13 . 1 1 172 172 ALA H H 184 8.097 8.097 7.464 0.633 17614 14836 1 13 . 1 1 173 173 ARG N N 185 117.321 117.321 118.636 -1.315 17614 14837 1 13 . 1 1 173 173 ARG C C 185 177.527 177.527 178.529 -1.002 17614 14838 1 13 . 1 1 173 173 ARG CA C 185 59.543 59.543 59.840 -0.297 17614 14839 1 13 . 1 1 173 173 ARG CB C 185 29.767 29.767 30.016 -0.249 17614 14840 1 13 . 1 1 173 173 ARG H H 185 7.611 7.611 8.195 -0.584 17614 14841 1 13 . 1 1 174 174 ASN N N 186 117.294 117.294 117.935 -0.641 17614 14842 1 13 . 1 1 174 174 ASN C C 186 176.599 176.599 177.139 -0.540 17614 14843 1 13 . 1 1 174 174 ASN CA C 186 56.659 56.659 56.239 0.420 17614 14844 1 13 . 1 1 174 174 ASN CB C 186 39.454 39.454 38.234 1.220 17614 14845 1 13 . 1 1 174 174 ASN H H 186 8.048 8.048 7.934 0.114 17614 14846 1 13 . 1 1 175 175 ALA N N 187 121.003 121.003 122.657 -1.654 17614 14847 1 13 . 1 1 175 175 ALA C C 187 178.713 178.713 179.705 -0.992 17614 14848 1 13 . 1 1 175 175 ALA CA C 187 55.520 55.520 55.071 0.449 17614 14849 1 13 . 1 1 175 175 ALA CB C 187 18.097 18.097 18.547 -0.450 17614 14850 1 13 . 1 1 175 175 ALA H H 187 7.322 7.322 7.635 -0.313 17614 14851 1 13 . 1 1 176 176 ILE N N 188 119.319 119.319 119.335 -0.016 17614 14852 1 13 . 1 1 176 176 ILE C C 188 176.634 176.634 178.255 -1.621 17614 14853 1 13 . 1 1 176 176 ILE CA C 188 64.225 64.225 64.011 0.214 17614 14854 1 13 . 1 1 176 176 ILE CB C 188 37.658 37.658 36.756 0.902 17614 14855 1 13 . 1 1 176 176 ILE H H 188 7.779 7.779 8.349 -0.570 17614 14856 1 13 . 1 1 177 177 VAL N N 189 117.265 117.265 120.660 -3.395 17614 14857 1 13 . 1 1 177 177 VAL C C 189 177.529 177.529 178.225 -0.696 17614 14858 1 13 . 1 1 177 177 VAL CA C 189 65.562 65.562 67.409 -1.847 17614 14859 1 13 . 1 1 177 177 VAL CB C 189 31.407 31.407 30.838 0.569 17614 14860 1 13 . 1 1 177 177 VAL H H 189 7.776 7.776 8.393 -0.617 17614 14861 1 13 . 1 1 178 178 ASN N N 190 118.736 118.736 118.929 -0.193 17614 14862 1 13 . 1 1 178 178 ASN C C 190 176.476 176.476 177.981 -1.505 17614 14863 1 13 . 1 1 178 178 ASN CA C 190 56.813 56.813 56.323 0.490 17614 14864 1 13 . 1 1 178 178 ASN CB C 190 38.268 38.268 38.410 -0.142 17614 14865 1 13 . 1 1 178 178 ASN H H 190 7.800 7.800 7.950 -0.150 17614 14866 1 13 . 1 1 179 179 CYS N N 191 120.152 120.152 118.293 1.859 17614 14867 1 13 . 1 1 179 179 CYS C C 191 175.831 175.831 176.753 -0.922 17614 14868 1 13 . 1 1 179 179 CYS CA C 191 60.293 60.293 64.548 -4.255 17614 14869 1 13 . 1 1 179 179 CYS CB C 191 41.566 41.566 27.401 14.165 17614 14870 1 13 . 1 1 179 179 CYS H H 191 7.784 7.784 8.137 -0.353 17614 14871 1 13 . 1 1 180 180 ALA N N 192 121.963 121.963 122.229 -0.266 17614 14872 1 13 . 1 1 180 180 ALA C C 192 178.395 178.395 179.214 -0.819 17614 14873 1 13 . 1 1 180 180 ALA CA C 192 55.280 55.280 55.164 0.116 17614 14874 1 13 . 1 1 180 180 ALA CB C 192 18.008 18.008 18.115 -0.107 17614 14875 1 13 . 1 1 180 180 ALA H H 192 8.141 8.141 8.728 -0.587 17614 14876 1 13 . 1 1 181 181 GLU N N 193 114.548 114.548 119.601 -5.053 17614 14877 1 13 . 1 1 181 181 GLU C C 193 176.764 176.764 178.827 -2.063 17614 14878 1 13 . 1 1 181 181 GLU CA C 193 58.262 58.262 59.367 -1.105 17614 14879 1 13 . 1 1 181 181 GLU CB C 193 29.342 29.342 29.550 -0.208 17614 14880 1 13 . 1 1 181 181 GLU H H 193 7.595 7.595 8.332 -0.738 17614 14881 1 13 . 1 1 182 182 LEU N N 194 117.659 117.659 120.564 -2.905 17614 14882 1 13 . 1 1 182 182 LEU C C 194 176.904 176.904 178.431 -1.527 17614 14883 1 13 . 1 1 182 182 LEU CA C 194 55.695 55.695 58.167 -2.472 17614 14884 1 13 . 1 1 182 182 LEU CB C 194 41.655 41.655 42.046 -0.391 17614 14885 1 13 . 1 1 182 182 LEU H H 194 7.459 7.459 7.966 -0.507 17614 14886 1 13 . 1 1 183 183 VAL N N 195 117.842 117.842 115.419 2.423 17614 14887 1 13 . 1 1 183 183 VAL C C 195 177.150 177.150 178.082 -0.932 17614 14888 1 13 . 1 1 183 183 VAL CA C 195 64.054 64.054 65.378 -1.324 17614 14889 1 13 . 1 1 183 183 VAL CB C 195 31.079 31.079 31.460 -0.381 17614 14890 1 13 . 1 1 183 183 VAL H H 195 7.363 7.363 7.340 0.023 17614 14891 1 13 . 1 1 184 184 THR N N 196 122.439 122.439 117.309 5.130 17614 14892 1 13 . 1 1 184 184 THR C C 196 175.055 175.055 176.470 -1.415 17614 14893 1 13 . 1 1 184 184 THR CA C 196 65.500 65.500 66.929 -1.429 17614 14894 1 13 . 1 1 184 184 THR CB C 196 69.490 69.490 68.669 0.821 17614 14895 1 13 . 1 1 184 184 THR H H 196 7.940 7.940 7.772 0.168 17614 14896 1 13 . 1 1 185 185 TYR N N 197 122.430 122.430 122.238 0.192 17614 14897 1 13 . 1 1 185 185 TYR C C 197 177.152 177.152 176.783 0.369 17614 14898 1 13 . 1 1 185 185 TYR CA C 197 61.892 61.892 61.798 0.094 17614 14899 1 13 . 1 1 185 185 TYR CB C 197 38.085 38.085 38.524 -0.439 17614 14900 1 13 . 1 1 185 185 TYR H H 197 9.123 9.123 8.842 0.281 17614 14901 1 13 . 1 1 186 186 ASP N N 198 117.750 117.750 118.786 -1.036 17614 14902 1 13 . 1 1 186 186 ASP C C 198 177.696 177.696 178.490 -0.794 17614 14903 1 13 . 1 1 186 186 ASP CA C 198 57.822 57.822 57.814 0.008 17614 14904 1 13 . 1 1 186 186 ASP CB C 198 40.500 40.500 40.382 0.118 17614 14905 1 13 . 1 1 186 186 ASP H H 198 8.263 8.263 7.915 0.348 17614 14906 1 13 . 1 1 187 187 LEU N N 199 120.698 120.698 119.175 1.523 17614 14907 1 13 . 1 1 187 187 LEU C C 199 180.104 180.104 179.234 0.870 17614 14908 1 13 . 1 1 187 187 LEU CA C 199 58.092 58.092 57.375 0.717 17614 14909 1 13 . 1 1 187 187 LEU CB C 199 42.559 42.559 41.616 0.943 17614 14910 1 13 . 1 1 187 187 LEU H H 199 7.636 7.636 7.350 0.286 17614 14911 1 13 . 1 1 188 188 ILE N N 200 121.136 121.136 118.737 2.399 17614 14912 1 13 . 1 1 188 188 ILE C C 200 176.919 176.919 177.942 -1.023 17614 14913 1 13 . 1 1 188 188 ILE CA C 200 65.482 65.482 63.451 2.031 17614 14914 1 13 . 1 1 188 188 ILE CB C 200 37.949 37.949 37.119 0.830 17614 14915 1 13 . 1 1 188 188 ILE H H 200 7.718 7.718 7.277 0.441 17614 14916 1 13 . 1 1 189 189 LYS N N 201 120.587 120.587 119.327 1.260 17614 14917 1 13 . 1 1 189 189 LYS C C 201 177.696 177.696 178.286 -0.590 17614 14918 1 13 . 1 1 189 189 LYS CA C 201 60.683 60.683 59.381 1.302 17614 14919 1 13 . 1 1 189 189 LYS CB C 201 31.809 31.809 32.363 -0.554 17614 14920 1 13 . 1 1 189 189 LYS H H 201 8.291 8.291 7.634 0.657 17614 14921 1 13 . 1 1 190 190 ASP N N 202 117.936 117.936 116.406 1.530 17614 14922 1 13 . 1 1 190 190 ASP C C 202 178.395 178.395 176.554 1.841 17614 14923 1 13 . 1 1 190 190 ASP CA C 202 57.672 57.672 56.187 1.485 17614 14924 1 13 . 1 1 190 190 ASP CB C 202 41.355 41.355 40.935 0.420 17614 14925 1 13 . 1 1 190 190 ASP H H 202 8.182 8.182 7.828 0.354 17614 14926 1 13 . 1 1 191 191 THR N N 203 115.914 115.914 114.674 1.240 17614 14927 1 13 . 1 1 191 191 THR CA C 203 61.190 61.190 62.246 -1.056 17614 14928 1 13 . 1 1 191 191 THR CB C 203 68.738 68.738 69.617 -0.879 17614 14929 1 13 . 1 1 191 191 THR H H 203 7.690 7.690 7.321 0.369 17614 14930 1 13 . 1 1 192 192 LEU C C 204 176.047 176.047 175.065 0.982 17614 14931 1 13 . 1 1 192 192 LEU H H 204 8.051 8.051 8.725 -0.674 17614 14932 1 13 . 1 1 193 193 LEU N N 205 118.768 118.768 117.809 0.959 17614 14933 1 13 . 1 1 193 193 LEU C C 205 179.871 179.871 177.686 2.185 17614 14934 1 13 . 1 1 193 193 LEU CA C 205 55.867 55.867 54.195 1.672 17614 14935 1 13 . 1 1 193 193 LEU CB C 205 41.887 41.887 41.364 0.523 17614 14936 1 13 . 1 1 193 193 LEU H H 205 7.977 7.977 7.853 0.124 17614 14937 1 13 . 1 1 194 194 LYS N N 206 119.775 119.775 118.900 0.875 17614 14938 1 13 . 1 1 194 194 LYS C C 206 177.318 177.318 176.292 1.026 17614 14939 1 13 . 1 1 194 194 LYS CA C 206 58.461 58.461 58.207 0.254 17614 14940 1 13 . 1 1 194 194 LYS CB C 206 32.734 32.734 32.404 0.330 17614 14941 1 13 . 1 1 194 194 LYS H H 206 7.677 7.677 8.090 -0.413 17614 14942 1 13 . 1 1 195 195 ALA N N 207 120.757 120.757 121.532 -0.775 17614 14943 1 13 . 1 1 195 195 ALA C C 207 176.531 176.531 177.079 -0.548 17614 14944 1 13 . 1 1 195 195 ALA CA C 207 53.083 53.083 52.376 0.707 17614 14945 1 13 . 1 1 195 195 ALA CB C 207 18.960 18.960 20.013 -1.053 17614 14946 1 13 . 1 1 195 195 ALA H H 207 7.565 7.565 8.091 -0.526 17614 14947 1 13 . 1 1 196 196 ASN N N 208 115.463 115.463 115.124 0.339 17614 14948 1 13 . 1 1 196 196 ASN C C 208 174.822 174.822 173.958 0.864 17614 14949 1 13 . 1 1 196 196 ASN CA C 208 54.351 54.351 53.128 1.223 17614 14950 1 13 . 1 1 196 196 ASN CB C 208 38.160 38.160 37.701 0.459 17614 14951 1 13 . 1 1 196 196 ASN H H 208 7.936 7.936 8.224 -0.288 17614 14952 1 13 . 1 1 200 200 ASP C C 212 174.735 174.735 175.329 -0.594 17614 14953 1 13 . 1 1 201 201 ASP N N 213 116.363 116.363 121.710 -5.347 17614 14954 1 13 . 1 1 201 201 ASP C C 213 175.553 175.553 177.112 -1.559 17614 14955 1 13 . 1 1 201 201 ASP CA C 213 54.890 54.890 53.054 1.835 17614 14956 1 13 . 1 1 201 201 ASP CB C 213 38.846 38.846 40.091 -1.245 17614 14957 1 13 . 1 1 201 201 ASP H H 213 8.129 8.129 8.338 -0.209 17614 14958 1 13 . 1 1 202 202 LEU N N 214 119.486 119.486 123.929 -4.443 17614 14959 1 13 . 1 1 202 202 LEU CA C 214 59.766 59.766 58.870 0.896 17614 14960 1 13 . 1 1 202 202 LEU CB C 214 39.579 39.579 39.406 0.173 17614 14961 1 13 . 1 1 202 202 LEU H H 214 7.821 7.821 7.959 -0.138 17614 14962 1 13 . 1 1 203 203 PRO C C 215 177.971 177.971 179.032 -1.061 17614 14963 1 13 . 1 1 203 203 PRO CA C 215 65.938 65.938 65.928 0.010 17614 14964 1 13 . 1 1 203 203 PRO CB C 215 30.006 30.006 30.849 -0.843 17614 14965 1 13 . 1 1 204 204 CYS N N 216 114.211 114.211 114.365 -0.154 17614 14966 1 13 . 1 1 204 204 CYS C C 216 176.142 176.142 176.729 -0.587 17614 14967 1 13 . 1 1 204 204 CYS CA C 216 58.773 58.773 61.779 -3.006 17614 14968 1 13 . 1 1 204 204 CYS CB C 216 40.906 40.906 27.356 13.550 17614 14969 1 13 . 1 1 204 204 CYS H H 216 8.269 8.269 7.676 0.593 17614 14970 1 13 . 1 1 205 205 HIS N N 217 120.491 120.491 120.045 0.446 17614 14971 1 13 . 1 1 205 205 HIS C C 217 176.747 176.747 177.289 -0.542 17614 14972 1 13 . 1 1 205 205 HIS CA C 217 57.198 57.198 60.082 -2.884 17614 14973 1 13 . 1 1 205 205 HIS CB C 217 29.886 29.886 29.302 0.584 17614 14974 1 13 . 1 1 205 205 HIS H H 217 7.301 7.301 7.519 -0.218 17614 14975 1 13 . 1 1 206 206 PHE N N 218 120.501 120.501 118.704 1.797 17614 14976 1 13 . 1 1 206 206 PHE C C 218 176.187 176.187 177.873 -1.686 17614 14977 1 13 . 1 1 206 206 PHE CA C 218 59.045 59.045 61.933 -2.888 17614 14978 1 13 . 1 1 206 206 PHE CB C 218 38.901 38.901 38.461 0.440 17614 14979 1 13 . 1 1 206 206 PHE H H 218 8.127 8.127 7.716 0.411 17614 14980 1 13 . 1 1 207 207 THR N N 219 112.682 112.682 112.919 -0.237 17614 14981 1 13 . 1 1 207 207 THR C C 219 175.997 175.997 176.987 -0.990 17614 14982 1 13 . 1 1 207 207 THR CA C 219 64.319 64.319 66.445 -2.126 17614 14983 1 13 . 1 1 207 207 THR CB C 219 63.282 63.282 68.343 -5.061 17614 14984 1 13 . 1 1 207 207 THR H H 219 7.977 7.977 8.315 -0.338 17614 14985 1 13 . 1 1 208 208 SER N N 220 117.589 117.589 118.313 -0.724 17614 14986 1 13 . 1 1 208 208 SER C C 220 175.055 175.055 176.597 -1.542 17614 14987 1 13 . 1 1 208 208 SER CA C 220 61.344 61.344 61.402 -0.058 17614 14988 1 13 . 1 1 208 208 SER CB C 220 63.440 63.440 62.822 0.618 17614 14989 1 13 . 1 1 208 208 SER H H 220 8.004 8.004 7.806 0.198 17614 14990 1 13 . 1 1 209 209 ALA N N 221 123.860 123.860 124.439 -0.579 17614 14991 1 13 . 1 1 209 209 ALA C C 221 177.618 177.618 179.135 -1.517 17614 14992 1 13 . 1 1 209 209 ALA CA C 221 53.932 53.932 54.881 -0.949 17614 14993 1 13 . 1 1 209 209 ALA CB C 221 18.891 18.891 18.595 0.296 17614 14994 1 13 . 1 1 209 209 ALA H H 221 7.704 7.704 7.630 0.074 17614 14995 1 13 . 1 1 210 210 PHE N N 222 116.073 116.073 119.876 -3.803 17614 14996 1 13 . 1 1 210 210 PHE C C 222 176.142 176.142 177.500 -1.358 17614 14997 1 13 . 1 1 210 210 PHE CA C 222 58.271 58.271 61.160 -2.889 17614 14998 1 13 . 1 1 210 210 PHE CB C 222 39.554 39.554 38.963 0.591 17614 14999 1 13 . 1 1 210 210 PHE H H 222 7.718 7.718 8.213 -0.495 17614 15000 1 13 . 1 1 211 211 GLY N N 223 108.578 108.578 106.036 2.542 17614 15001 1 13 . 1 1 211 211 GLY C C 223 173.889 173.889 175.591 -1.702 17614 15002 1 13 . 1 1 211 211 GLY CA C 223 45.993 45.993 47.083 -1.090 17614 15003 1 13 . 1 1 211 211 GLY H H 223 7.909 7.909 8.033 -0.124 17614 15004 1 13 . 1 1 212 212 ALA N N 224 123.322 123.322 124.687 -1.365 17614 15005 1 13 . 1 1 212 212 ALA C C 224 178.550 178.550 179.613 -1.063 17614 15006 1 13 . 1 1 212 212 ALA CA C 224 53.608 53.608 54.495 -0.886 17614 15007 1 13 . 1 1 212 212 ALA CB C 224 19.069 19.069 18.436 0.633 17614 15008 1 13 . 1 1 212 212 ALA H H 224 8.018 8.018 7.756 0.262 17614 15009 1 13 . 1 1 213 213 GLY N N 225 107.935 107.935 107.430 0.505 17614 15010 1 13 . 1 1 213 213 GLY C C 225 175.389 175.389 175.937 -0.548 17614 15011 1 13 . 1 1 213 213 GLY CA C 225 46.967 46.967 46.940 0.027 17614 15012 1 13 . 1 1 213 213 GLY H H 225 8.304 8.304 8.579 -0.275 17614 15013 1 13 . 1 1 214 214 PHE N N 226 122.440 122.440 120.984 1.456 17614 15014 1 13 . 1 1 214 214 PHE C C 226 176.998 176.998 177.994 -0.996 17614 15015 1 13 . 1 1 214 214 PHE CA C 226 60.673 60.673 60.345 0.328 17614 15016 1 13 . 1 1 214 214 PHE CB C 226 38.319 38.319 38.461 -0.142 17614 15017 1 13 . 1 1 214 214 PHE H H 226 8.045 8.045 7.542 0.503 17614 15018 1 13 . 1 1 215 215 CYS N N 227 116.562 116.562 117.392 -0.830 17614 15019 1 13 . 1 1 215 215 CYS CA C 227 61.301 61.301 61.871 -0.570 17614 15020 1 13 . 1 1 215 215 CYS CB C 227 41.286 41.286 27.884 13.402 17614 15021 1 13 . 1 1 215 215 CYS H H 227 8.016 8.016 7.724 0.292 17614 15022 1 13 . 1 1 216 216 THR C C 228 176.437 176.437 176.666 -0.229 17614 15023 1 13 . 1 1 216 216 THR H H 228 8.410 8.410 8.167 0.243 17614 15024 1 13 . 1 1 217 217 THR N N 229 115.234 115.234 116.310 -1.076 17614 15025 1 13 . 1 1 217 217 THR C C 229 176.749 176.749 176.516 0.233 17614 15026 1 13 . 1 1 217 217 THR CA C 229 65.980 65.980 66.249 -0.268 17614 15027 1 13 . 1 1 217 217 THR CB C 229 67.443 67.443 68.546 -1.103 17614 15028 1 13 . 1 1 217 217 THR H H 229 8.188 8.188 8.194 -0.006 17614 15029 1 13 . 1 1 218 218 VAL N N 230 120.723 120.723 122.409 -1.686 17614 15030 1 13 . 1 1 218 218 VAL C C 230 177.983 177.983 178.127 -0.144 17614 15031 1 13 . 1 1 218 218 VAL CA C 230 66.832 66.832 66.103 0.729 17614 15032 1 13 . 1 1 218 218 VAL CB C 230 31.168 31.168 31.410 -0.242 17614 15033 1 13 . 1 1 218 218 VAL H H 230 8.027 8.027 7.571 0.456 17614 15034 1 13 . 1 1 219 219 ILE N N 231 120.541 120.541 119.247 1.294 17614 15035 1 13 . 1 1 219 219 ILE C C 231 177.368 177.368 177.810 -0.442 17614 15036 1 13 . 1 1 219 219 ILE CA C 231 65.575 65.575 62.577 2.998 17614 15037 1 13 . 1 1 219 219 ILE CB C 231 37.722 37.722 36.529 1.193 17614 15038 1 13 . 1 1 219 219 ILE H H 231 8.458 8.458 7.399 1.059 17614 15039 1 13 . 1 1 220 220 ALA N N 232 122.766 122.766 122.957 -0.191 17614 15040 1 13 . 1 1 220 220 ALA C C 232 178.847 178.847 179.528 -0.681 17614 15041 1 13 . 1 1 220 220 ALA CA C 232 55.252 55.252 55.074 0.178 17614 15042 1 13 . 1 1 220 220 ALA CB C 232 17.874 17.874 18.624 -0.750 17614 15043 1 13 . 1 1 220 220 ALA H H 232 8.589 8.589 8.329 0.260 17614 15044 1 13 . 1 1 221 221 SER N N 233 113.387 113.387 114.624 -1.237 17614 15045 1 13 . 1 1 221 221 SER CA C 233 62.348 62.348 62.141 0.207 17614 15046 1 13 . 1 1 221 221 SER CB C 233 61.630 61.630 60.706 0.924 17614 15047 1 13 . 1 1 221 221 SER H H 233 8.218 8.218 8.444 -0.226 17614 15048 1 13 . 1 1 222 222 PRO C C 234 178.221 178.221 178.678 -0.457 17614 15049 1 13 . 1 1 223 223 VAL N N 235 116.087 116.087 117.695 -1.608 17614 15050 1 13 . 1 1 223 223 VAL C C 235 177.089 177.089 177.814 -0.725 17614 15051 1 13 . 1 1 223 223 VAL CA C 235 65.072 65.072 66.138 -1.066 17614 15052 1 13 . 1 1 223 223 VAL CB C 235 31.084 31.084 31.454 -0.370 17614 15053 1 13 . 1 1 223 223 VAL H H 235 8.142 8.142 7.377 0.765 17614 15054 1 13 . 1 1 224 224 ASP N N 236 121.556 121.556 120.328 1.228 17614 15055 1 13 . 1 1 224 224 ASP C C 236 177.422 177.422 178.791 -1.369 17614 15056 1 13 . 1 1 224 224 ASP CA C 236 57.135 57.135 56.980 0.155 17614 15057 1 13 . 1 1 224 224 ASP CB C 236 40.065 40.065 39.987 0.077 17614 15058 1 13 . 1 1 224 224 ASP H H 236 7.932 7.932 7.352 0.580 17614 15059 1 13 . 1 1 225 225 VAL N N 237 117.233 117.233 120.296 -3.063 17614 15060 1 13 . 1 1 225 225 VAL CA C 237 64.977 64.977 66.412 -1.435 17614 15061 1 13 . 1 1 225 225 VAL CB C 237 31.013 31.013 31.867 -0.854 17614 15062 1 13 . 1 1 225 225 VAL H H 237 7.710 7.710 8.084 -0.374 17614 15063 1 13 . 1 1 226 226 VAL C C 238 177.584 177.584 176.480 1.104 17614 15064 1 13 . 1 1 226 226 VAL H H 238 7.607 7.607 7.653 -0.046 17614 15065 1 13 . 1 1 227 227 LYS N N 239 120.095 120.095 117.922 2.173 17614 15066 1 13 . 1 1 227 227 LYS C C 239 178.678 178.678 178.376 0.302 17614 15067 1 13 . 1 1 227 227 LYS CA C 239 58.483 58.483 58.688 -0.205 17614 15068 1 13 . 1 1 227 227 LYS CB C 239 31.863 31.863 32.028 -0.165 17614 15069 1 13 . 1 1 227 227 LYS H H 239 7.761 7.761 7.384 0.377 17614 15070 1 13 . 1 1 228 228 THR N N 240 115.247 115.247 111.896 3.351 17614 15071 1 13 . 1 1 228 228 THR C C 240 175.093 175.093 175.437 -0.344 17614 15072 1 13 . 1 1 228 228 THR CA C 240 66.458 66.458 63.982 2.476 17614 15073 1 13 . 1 1 228 228 THR CB C 240 68.011 68.011 69.431 -1.420 17614 15074 1 13 . 1 1 228 228 THR H H 240 7.761 7.761 7.607 0.154 17614 15075 1 13 . 1 1 229 229 ARG N N 241 119.633 119.633 122.263 -2.630 17614 15076 1 13 . 1 1 229 229 ARG CA C 241 57.133 57.133 58.079 -0.946 17614 15077 1 13 . 1 1 229 229 ARG CB C 241 31.218 31.218 30.413 0.805 17614 15078 1 13 . 1 1 229 229 ARG H H 241 7.383 7.383 7.471 -0.088 17614 15079 1 13 . 1 1 230 230 TYR C C 242 174.956 174.956 174.342 0.614 17614 15080 1 13 . 1 1 230 230 TYR H H 242 8.699 8.699 8.162 0.537 17614 15081 1 13 . 1 1 231 231 MET N N 243 118.458 118.458 123.115 -4.657 17614 15082 1 13 . 1 1 231 231 MET C C 243 175.676 175.676 175.571 0.105 17614 15083 1 13 . 1 1 231 231 MET CA C 243 54.417 54.417 57.057 -2.640 17614 15084 1 13 . 1 1 231 231 MET H H 243 7.442 7.442 8.326 -0.884 17614 15085 1 13 . 1 1 232 232 ASN N N 244 116.369 116.369 118.471 -2.102 17614 15086 1 13 . 1 1 232 232 ASN C C 244 174.919 174.919 173.841 1.078 17614 15087 1 13 . 1 1 232 232 ASN CA C 244 59.470 59.470 53.305 6.165 17614 15088 1 13 . 1 1 232 232 ASN CB C 244 39.079 39.079 37.946 1.133 17614 15089 1 13 . 1 1 232 232 ASN H H 244 7.772 7.772 8.116 -0.344 17614 15090 1 13 . 1 1 233 233 SER N N 245 114.568 114.568 115.826 -1.258 17614 15091 1 13 . 1 1 233 233 SER C C 245 175.695 175.695 173.984 1.711 17614 15092 1 13 . 1 1 233 233 SER CA C 245 53.852 53.852 60.131 -6.279 17614 15093 1 13 . 1 1 233 233 SER CB C 245 61.232 61.232 62.866 -1.634 17614 15094 1 13 . 1 1 233 233 SER H H 245 8.475 8.475 8.523 -0.048 17614 15095 1 13 . 1 1 234 234 ALA N N 246 127.283 127.283 123.156 4.127 17614 15096 1 13 . 1 1 234 234 ALA C C 246 177.128 177.128 176.530 0.598 17614 15097 1 13 . 1 1 234 234 ALA CA C 246 56.803 56.803 53.481 3.322 17614 15098 1 13 . 1 1 234 234 ALA CB C 246 18.901 18.901 18.072 0.829 17614 15099 1 13 . 1 1 234 234 ALA H H 246 7.929 7.929 8.603 -0.674 17614 15100 1 13 . 1 1 235 235 LEU N N 247 118.112 118.112 116.468 1.644 17614 15101 1 13 . 1 1 235 235 LEU C C 247 176.723 176.723 176.927 -0.204 17614 15102 1 13 . 1 1 235 235 LEU CA C 247 54.156 54.156 54.139 0.017 17614 15103 1 13 . 1 1 235 235 LEU CB C 247 41.215 41.215 42.934 -1.719 17614 15104 1 13 . 1 1 235 235 LEU H H 247 7.922 7.922 8.586 -0.664 17614 15105 1 13 . 1 1 236 236 GLY N N 248 107.203 107.203 107.305 -0.102 17614 15106 1 13 . 1 1 236 236 GLY CA C 248 44.558 44.558 43.593 0.965 17614 15107 1 13 . 1 1 236 236 GLY H H 248 8.318 8.318 7.758 0.560 17614 15108 1 13 . 1 1 238 238 TYR C C 250 175.942 175.942 175.190 0.752 17614 15109 1 13 . 1 1 238 238 TYR H H 250 8.134 8.134 7.799 0.335 17614 15110 1 13 . 1 1 239 239 HIS N N 251 123.281 123.281 118.226 5.055 17614 15111 1 13 . 1 1 239 239 HIS C C 251 174.531 174.531 175.482 -0.951 17614 15112 1 13 . 1 1 239 239 HIS CA C 251 58.931 58.931 57.929 1.002 17614 15113 1 13 . 1 1 239 239 HIS CB C 251 29.525 29.525 30.563 -1.038 17614 15114 1 13 . 1 1 239 239 HIS H H 251 8.184 8.184 8.465 -0.281 17614 15115 1 13 . 1 1 240 240 SER N N 252 110.038 110.038 110.822 -0.784 17614 15116 1 13 . 1 1 240 240 SER C C 252 174.429 174.429 173.876 0.553 17614 15117 1 13 . 1 1 240 240 SER CA C 252 57.452 57.452 57.182 0.270 17614 15118 1 13 . 1 1 240 240 SER CB C 252 65.022 65.022 65.371 -0.349 17614 15119 1 13 . 1 1 240 240 SER H H 252 8.010 8.010 7.640 0.370 17614 15120 1 13 . 1 1 241 241 ALA N N 253 123.034 123.034 123.887 -0.853 17614 15121 1 13 . 1 1 241 241 ALA C C 253 179.249 179.249 179.833 -0.584 17614 15122 1 13 . 1 1 241 241 ALA CA C 253 54.981 54.981 54.369 0.612 17614 15123 1 13 . 1 1 241 241 ALA CB C 253 19.069 19.069 18.769 0.300 17614 15124 1 13 . 1 1 241 241 ALA H H 253 8.034 8.034 8.785 -0.751 17614 15125 1 13 . 1 1 242 242 GLY N N 254 106.379 106.379 106.598 -0.219 17614 15126 1 13 . 1 1 242 242 GLY C C 254 174.433 174.433 175.309 -0.876 17614 15127 1 13 . 1 1 242 242 GLY CA C 254 47.615 47.615 46.970 0.645 17614 15128 1 13 . 1 1 242 242 GLY H H 254 8.427 8.427 8.171 0.256 17614 15129 1 13 . 1 1 243 243 HIS N N 255 121.119 121.119 121.710 -0.591 17614 15130 1 13 . 1 1 243 243 HIS C C 255 178.084 178.084 177.162 0.922 17614 15131 1 13 . 1 1 243 243 HIS CA C 255 60.144 60.144 59.464 0.680 17614 15132 1 13 . 1 1 243 243 HIS CB C 255 33.073 33.073 29.909 3.164 17614 15133 1 13 . 1 1 243 243 HIS H H 255 8.304 8.304 7.812 0.492 17614 15134 1 13 . 1 1 244 244 CYS N N 256 117.946 117.946 118.247 -0.301 17614 15135 1 13 . 1 1 244 244 CYS C C 256 175.453 175.453 176.531 -1.078 17614 15136 1 13 . 1 1 244 244 CYS CA C 256 58.668 58.668 64.067 -5.399 17614 15137 1 13 . 1 1 244 244 CYS CB C 256 41.434 41.434 26.593 14.841 17614 15138 1 13 . 1 1 244 244 CYS H H 256 8.168 8.168 8.030 0.138 17614 15139 1 13 . 1 1 245 245 ALA N N 257 123.138 123.138 122.069 1.069 17614 15140 1 13 . 1 1 245 245 ALA C C 257 179.489 179.489 179.510 -0.021 17614 15141 1 13 . 1 1 245 245 ALA CA C 257 54.589 54.589 54.965 -0.376 17614 15142 1 13 . 1 1 245 245 ALA CB C 257 17.675 17.675 18.229 -0.554 17614 15143 1 13 . 1 1 245 245 ALA H H 257 7.932 7.932 7.410 0.522 17614 15144 1 13 . 1 1 246 246 LEU N N 258 119.779 119.779 118.503 1.276 17614 15145 1 13 . 1 1 246 246 LEU C C 258 178.234 178.234 178.751 -0.517 17614 15146 1 13 . 1 1 246 246 LEU CA C 258 56.967 56.967 57.947 -0.980 17614 15147 1 13 . 1 1 246 246 LEU CB C 258 41.067 41.067 42.071 -1.004 17614 15148 1 13 . 1 1 246 246 LEU H H 258 7.681 7.681 7.820 -0.139 17614 15149 1 13 . 1 1 247 247 THR N N 259 114.552 114.552 116.460 -1.908 17614 15150 1 13 . 1 1 247 247 THR C C 259 176.244 176.244 176.754 -0.510 17614 15151 1 13 . 1 1 247 247 THR CA C 259 66.511 66.511 67.084 -0.573 17614 15152 1 13 . 1 1 247 247 THR CB C 259 67.274 67.274 68.593 -1.319 17614 15153 1 13 . 1 1 247 247 THR H H 259 7.855 7.855 8.359 -0.504 17614 15154 1 13 . 1 1 248 248 MET N N 260 118.862 118.862 120.449 -1.587 17614 15155 1 13 . 1 1 248 248 MET C C 260 177.094 177.094 177.152 -0.058 17614 15156 1 13 . 1 1 248 248 MET CA C 260 58.532 58.532 59.099 -0.567 17614 15157 1 13 . 1 1 248 248 MET CB C 260 32.288 32.288 32.456 -0.168 17614 15158 1 13 . 1 1 248 248 MET H H 260 8.296 8.296 8.158 0.138 17614 15159 1 13 . 1 1 249 249 LEU N N 261 116.839 116.839 119.007 -2.168 17614 15160 1 13 . 1 1 249 249 LEU C C 261 178.162 178.162 178.935 -0.773 17614 15161 1 13 . 1 1 249 249 LEU CA C 261 58.167 58.167 57.472 0.695 17614 15162 1 13 . 1 1 249 249 LEU CB C 261 42.202 42.202 41.954 0.248 17614 15163 1 13 . 1 1 249 249 LEU H H 261 8.053 8.053 7.398 0.655 17614 15164 1 13 . 1 1 250 250 ARG N N 262 116.821 116.821 117.889 -1.068 17614 15165 1 13 . 1 1 250 250 ARG CA C 262 58.761 58.761 58.251 0.510 17614 15166 1 13 . 1 1 250 250 ARG CB C 262 30.825 30.825 30.468 0.357 17614 15167 1 13 . 1 1 250 250 ARG H H 262 7.827 7.827 7.571 0.256 17614 15168 1 13 . 1 1 254 254 PRO C C 266 177.152 177.152 178.319 -1.167 17614 15169 1 13 . 1 1 254 254 PRO CA C 266 65.152 65.152 64.103 1.049 17614 15170 1 13 . 1 1 255 255 ARG N N 267 117.739 117.739 119.469 -1.730 17614 15171 1 13 . 1 1 255 255 ARG C C 267 177.463 177.463 177.485 -0.022 17614 15172 1 13 . 1 1 255 255 ARG CA C 267 59.335 59.335 58.311 1.024 17614 15173 1 13 . 1 1 255 255 ARG CB C 267 30.185 30.185 29.768 0.417 17614 15174 1 13 . 1 1 255 255 ARG H H 267 8.072 8.072 7.951 0.121 17614 15175 1 13 . 1 1 256 256 ALA N N 268 121.709 121.709 120.635 1.074 17614 15176 1 13 . 1 1 256 256 ALA C C 268 179.251 179.251 177.669 1.582 17614 15177 1 13 . 1 1 256 256 ALA CA C 268 54.631 54.631 54.567 0.064 17614 15178 1 13 . 1 1 256 256 ALA CB C 268 18.683 18.683 18.416 0.267 17614 15179 1 13 . 1 1 256 256 ALA H H 268 7.963 7.963 7.711 0.252 17614 15180 1 13 . 1 1 257 257 PHE N N 269 117.096 117.096 117.883 -0.787 17614 15181 1 13 . 1 1 257 257 PHE C C 269 175.987 175.987 177.326 -1.339 17614 15182 1 13 . 1 1 257 257 PHE CA C 269 61.037 61.037 60.644 0.393 17614 15183 1 13 . 1 1 257 257 PHE CB C 269 38.637 38.637 39.515 -0.878 17614 15184 1 13 . 1 1 257 257 PHE H H 269 7.832 7.832 7.675 0.157 17614 15185 1 13 . 1 1 258 258 TYR N N 270 118.496 118.496 119.551 -1.055 17614 15186 1 13 . 1 1 258 258 TYR C C 270 176.250 176.250 176.186 0.064 17614 15187 1 13 . 1 1 258 258 TYR CA C 270 60.116 60.116 59.894 0.222 17614 15188 1 13 . 1 1 258 258 TYR CB C 270 38.882 38.882 38.758 0.124 17614 15189 1 13 . 1 1 258 258 TYR H H 270 7.813 7.813 7.587 0.226 17614 15190 1 13 . 1 1 259 259 LYS N N 271 119.458 119.458 119.406 0.052 17614 15191 1 13 . 1 1 259 259 LYS C C 271 177.696 177.696 176.285 1.411 17614 15192 1 13 . 1 1 259 259 LYS CA C 271 57.192 57.192 56.114 1.078 17614 15193 1 13 . 1 1 259 259 LYS CB C 271 32.734 32.734 32.671 0.063 17614 15194 1 13 . 1 1 259 259 LYS H H 271 7.864 7.864 7.800 0.064 17614 15195 1 13 . 1 1 260 260 GLY N N 272 106.217 106.217 106.710 -0.493 17614 15196 1 13 . 1 1 260 260 GLY C C 272 173.967 173.967 173.426 0.541 17614 15197 1 13 . 1 1 260 260 GLY CA C 272 46.117 46.117 45.491 0.626 17614 15198 1 13 . 1 1 260 260 GLY H H 272 7.622 7.622 8.012 -0.390 17614 15199 1 13 . 1 1 261 261 PHE N N 273 118.847 118.847 117.633 1.214 17614 15200 1 13 . 1 1 261 261 PHE C C 273 175.055 175.055 174.559 0.496 17614 15201 1 13 . 1 1 261 261 PHE CA C 273 57.721 57.721 57.262 0.459 17614 15202 1 13 . 1 1 261 261 PHE CB C 273 40.183 40.183 38.493 1.690 17614 15203 1 13 . 1 1 261 261 PHE H H 273 7.677 7.677 7.493 0.184 17614 15204 1 13 . 1 1 265 265 PHE C C 277 176.602 176.602 177.922 -1.320 17614 15205 1 13 . 1 1 265 265 PHE CA C 277 61.838 61.838 61.121 0.717 17614 15206 1 13 . 1 1 265 265 PHE CB C 277 39.537 39.537 38.619 0.918 17614 15207 1 13 . 1 1 265 265 PHE H H 277 7.695 7.695 8.367 -0.672 17614 15208 1 13 . 1 1 266 266 LEU N N 278 118.465 118.465 120.269 -1.804 17614 15209 1 13 . 1 1 266 266 LEU C C 278 177.152 177.152 178.320 -1.168 17614 15210 1 13 . 1 1 266 266 LEU CA C 278 56.115 56.115 58.324 -2.209 17614 15211 1 13 . 1 1 266 266 LEU CB C 278 42.398 42.398 41.884 0.514 17614 15212 1 13 . 1 1 266 266 LEU H H 278 8.104 8.104 7.869 0.235 17614 15213 1 13 . 1 1 267 267 ARG N N 279 118.749 118.749 118.949 -0.200 17614 15214 1 13 . 1 1 267 267 ARG C C 279 176.608 176.608 178.906 -2.298 17614 15215 1 13 . 1 1 267 267 ARG CA C 279 56.938 56.938 59.819 -2.881 17614 15216 1 13 . 1 1 267 267 ARG CB C 279 30.659 30.659 30.167 0.492 17614 15217 1 13 . 1 1 267 267 ARG H H 279 7.472 7.472 7.925 -0.453 17614 15218 1 13 . 1 1 268 268 LEU N N 280 120.305 120.305 118.080 2.225 17614 15219 1 13 . 1 1 268 268 LEU C C 280 177.540 177.540 179.050 -1.510 17614 15220 1 13 . 1 1 268 268 LEU CA C 280 57.094 57.094 58.239 -1.145 17614 15221 1 13 . 1 1 268 268 LEU CB C 280 42.027 42.027 40.565 1.462 17614 15222 1 13 . 1 1 268 268 LEU H H 280 7.690 7.690 8.084 -0.394 17614 15223 1 13 . 1 1 269 269 GLY N N 281 106.837 106.837 107.794 -0.957 17614 15224 1 13 . 1 1 269 269 GLY C C 281 174.045 174.045 176.085 -2.040 17614 15225 1 13 . 1 1 269 269 GLY CA C 281 46.967 46.967 47.268 -0.301 17614 15226 1 13 . 1 1 269 269 GLY H H 281 7.881 7.881 7.825 0.056 17614 15227 1 13 . 1 1 270 270 SER N N 282 115.531 115.531 118.543 -3.012 17614 15228 1 13 . 1 1 270 270 SER C C 282 174.123 174.123 175.991 -1.868 17614 15229 1 13 . 1 1 270 270 SER CA C 282 58.796 58.796 62.651 -3.855 17614 15230 1 13 . 1 1 270 270 SER CB C 282 58.975 58.975 63.186 -4.211 17614 15231 1 13 . 1 1 270 270 SER H H 282 7.813 7.813 7.543 0.270 17614 15232 1 13 . 1 1 271 271 TRP N N 283 122.851 122.851 122.916 -0.065 17614 15233 1 13 . 1 1 271 271 TRP C C 283 176.142 176.142 177.256 -1.114 17614 15234 1 13 . 1 1 271 271 TRP CA C 283 59.221 59.221 60.851 -1.630 17614 15235 1 13 . 1 1 271 271 TRP CB C 283 30.446 30.446 29.683 0.763 17614 15236 1 13 . 1 1 271 271 TRP H H 283 8.186 8.186 8.557 -0.371 17614 15237 1 13 . 1 1 272 272 ASN N N 284 118.459 118.459 117.685 0.774 17614 15238 1 13 . 1 1 272 272 ASN CA C 284 55.325 55.325 56.222 -0.897 17614 15239 1 13 . 1 1 272 272 ASN CB C 284 39.504 39.504 37.508 1.996 17614 15240 1 13 . 1 1 272 272 ASN H H 284 8.127 8.127 8.225 -0.098 17614 15241 1 13 . 1 1 273 273 VAL C C 285 177.263 177.263 177.646 -0.383 17614 15242 1 13 . 1 1 273 273 VAL H H 285 7.854 7.854 7.227 0.627 17614 15243 1 13 . 1 1 274 274 VAL N N 286 119.883 119.883 116.427 3.456 17614 15244 1 13 . 1 1 274 274 VAL C C 286 177.072 177.072 177.560 -0.488 17614 15245 1 13 . 1 1 274 274 VAL CA C 286 64.717 64.717 65.606 -0.889 17614 15246 1 13 . 1 1 274 274 VAL CB C 286 29.553 29.553 31.485 -1.932 17614 15247 1 13 . 1 1 274 274 VAL H H 286 7.483 7.483 7.190 0.293 17614 15248 1 13 . 1 1 275 275 MET N N 287 120.401 120.401 120.057 0.344 17614 15249 1 13 . 1 1 275 275 MET C C 287 177.594 177.594 177.788 -0.194 17614 15250 1 13 . 1 1 275 275 MET CA C 287 57.654 57.654 57.528 0.126 17614 15251 1 13 . 1 1 275 275 MET CB C 287 31.592 31.592 31.762 -0.170 17614 15252 1 13 . 1 1 275 275 MET H H 287 8.118 8.118 7.130 0.988 17614 15253 1 13 . 1 1 276 276 PHE N N 288 122.234 122.234 120.366 1.868 17614 15254 1 13 . 1 1 276 276 PHE C C 288 176.498 176.498 177.355 -0.857 17614 15255 1 13 . 1 1 276 276 PHE CA C 288 61.766 61.766 61.977 -0.211 17614 15256 1 13 . 1 1 276 276 PHE CB C 288 39.031 39.031 39.143 -0.112 17614 15257 1 13 . 1 1 276 276 PHE H H 288 7.878 7.878 7.830 0.048 17614 15258 1 13 . 1 1 277 277 VAL N N 289 118.907 118.907 114.974 3.933 17614 15259 1 13 . 1 1 277 277 VAL CA C 289 64.566 64.566 65.989 -1.423 17614 15260 1 13 . 1 1 277 277 VAL CB C 289 30.544 30.544 31.654 -1.110 17614 15261 1 13 . 1 1 277 277 VAL H H 289 7.913 7.913 7.580 0.333 17614 15262 1 13 . 1 1 278 278 THR C C 290 175.376 175.376 176.515 -1.139 17614 15263 1 13 . 1 1 278 278 THR H H 290 8.095 8.095 7.500 0.595 17614 15264 1 13 . 1 1 279 279 TYR N N 291 118.029 118.029 121.415 -3.386 17614 15265 1 13 . 1 1 279 279 TYR C C 291 176.919 176.919 177.728 -0.809 17614 15266 1 13 . 1 1 279 279 TYR CA C 291 61.717 61.717 61.714 0.003 17614 15267 1 13 . 1 1 279 279 TYR CB C 291 38.020 38.020 37.821 0.199 17614 15268 1 13 . 1 1 279 279 TYR H H 291 7.986 7.986 7.508 0.478 17614 15269 1 13 . 1 1 280 280 GLU N N 292 118.005 118.005 118.735 -0.730 17614 15270 1 13 . 1 1 280 280 GLU C C 292 176.686 176.686 179.003 -2.317 17614 15271 1 13 . 1 1 280 280 GLU CA C 292 60.084 60.084 59.519 0.565 17614 15272 1 13 . 1 1 280 280 GLU CB C 292 29.443 29.443 28.874 0.569 17614 15273 1 13 . 1 1 280 280 GLU H H 292 8.359 8.359 7.881 0.478 17614 15274 1 13 . 1 1 281 281 GLN N N 293 118.746 118.746 117.843 0.903 17614 15275 1 13 . 1 1 281 281 GLN C C 293 176.210 176.210 178.329 -2.119 17614 15276 1 13 . 1 1 281 281 GLN CA C 293 58.986 58.986 58.195 0.791 17614 15277 1 13 . 1 1 281 281 GLN CB C 293 28.784 28.784 28.323 0.461 17614 15278 1 13 . 1 1 281 281 GLN H H 293 7.704 7.704 7.442 0.262 17614 15279 1 13 . 1 1 282 282 LEU N N 294 120.970 120.970 119.033 1.937 17614 15280 1 13 . 1 1 282 282 LEU C C 294 178.084 178.084 178.415 -0.331 17614 15281 1 13 . 1 1 282 282 LEU CA C 294 58.741 58.741 56.858 1.883 17614 15282 1 13 . 1 1 282 282 LEU CB C 294 41.451 41.451 41.158 0.293 17614 15283 1 13 . 1 1 282 282 LEU H H 294 7.995 7.995 7.367 0.628 17614 15284 1 13 . 1 1 283 283 LYS N N 295 117.756 117.756 116.828 0.928 17614 15285 1 13 . 1 1 283 283 LYS CA C 295 59.048 59.048 58.503 0.545 17614 15286 1 13 . 1 1 283 283 LYS CB C 295 31.871 31.871 32.956 -1.085 17614 15287 1 13 . 1 1 283 283 LYS H H 295 7.731 7.731 7.826 -0.095 17614 15288 1 13 . 1 1 284 284 ARG H H 296 7.895 7.895 7.734 0.161 17614 15289 1 13 . 1 1 285 285 ALA C C 297 176.488 176.488 176.597 -0.109 17614 15290 1 13 . 1 1 285 285 ALA H H 297 8.223 8.223 8.296 -0.073 17614 15291 1 13 . 1 1 286 286 LEU N N 298 117.376 117.376 121.320 -3.944 17614 15292 1 13 . 1 1 286 286 LEU C C 298 178.628 178.628 176.830 1.798 17614 15293 1 13 . 1 1 286 286 LEU CA C 298 58.217 58.217 55.352 2.865 17614 15294 1 13 . 1 1 286 286 LEU CB C 298 41.905 41.905 41.724 0.181 17614 15295 1 13 . 1 1 286 286 LEU H H 298 7.947 7.947 8.386 -0.439 17614 15296 1 13 . 1 1 287 287 MET N N 299 127.376 127.376 124.479 2.897 17614 15297 1 13 . 1 1 287 287 MET C C 299 178.472 178.472 175.373 3.099 17614 15298 1 13 . 1 1 287 287 MET CA C 299 58.461 58.461 53.758 4.703 17614 15299 1 13 . 1 1 287 287 MET CB C 299 32.110 32.110 30.893 1.217 17614 15300 1 13 . 1 1 287 287 MET H H 299 8.182 8.182 8.777 -0.595 17614 15301 1 13 . 1 1 288 288 ALA N N 300 121.854 121.854 123.920 -2.066 17614 15302 1 13 . 1 1 288 288 ALA C C 300 180.197 180.197 176.513 3.684 17614 15303 1 13 . 1 1 288 288 ALA CA C 300 55.617 55.617 52.547 3.070 17614 15304 1 13 . 1 1 288 288 ALA CB C 300 18.215 18.215 20.044 -1.829 17614 15305 1 13 . 1 1 288 288 ALA H H 300 7.841 7.841 7.693 0.148 17614 15306 1 13 . 1 1 289 289 ALA N N 301 121.224 121.224 128.472 -7.248 17614 15307 1 13 . 1 1 289 289 ALA C C 301 178.939 178.939 178.100 0.839 17614 15308 1 13 . 1 1 289 289 ALA CA C 301 55.186 55.186 54.466 0.720 17614 15309 1 13 . 1 1 289 289 ALA CB C 301 18.735 18.735 18.998 -0.263 17614 15310 1 13 . 1 1 289 289 ALA H H 301 7.872 7.872 8.715 -0.843 17614 15311 1 13 . 1 1 290 290 TYR N N 302 118.183 118.183 119.927 -1.744 17614 15312 1 13 . 1 1 290 290 TYR C C 302 176.841 176.841 177.616 -0.775 17614 15313 1 13 . 1 1 290 290 TYR CA C 302 60.868 60.868 61.428 -0.560 17614 15314 1 13 . 1 1 290 290 TYR CB C 302 39.344 39.344 38.144 1.200 17614 15315 1 13 . 1 1 290 290 TYR H H 302 8.100 8.100 8.499 -0.399 17614 15316 1 13 . 1 1 291 291 GLN N N 303 117.243 117.243 118.894 -1.651 17614 15317 1 13 . 1 1 291 291 GLN C C 303 176.997 176.997 178.351 -1.354 17614 15318 1 13 . 1 1 291 291 GLN CA C 303 58.787 58.787 59.079 -0.292 17614 15319 1 13 . 1 1 291 291 GLN CB C 303 29.216 29.216 27.979 1.237 17614 15320 1 13 . 1 1 291 291 GLN H H 303 8.059 8.059 8.640 -0.581 17614 15321 1 13 . 1 1 292 292 SER N N 304 114.721 114.721 114.519 0.202 17614 15322 1 13 . 1 1 292 292 SER C C 304 174.511 174.511 175.973 -1.462 17614 15323 1 13 . 1 1 292 292 SER CA C 304 59.720 59.720 61.108 -1.388 17614 15324 1 13 . 1 1 292 292 SER CB C 304 63.896 63.896 63.001 0.895 17614 15325 1 13 . 1 1 292 292 SER H H 304 7.718 7.718 7.743 -0.025 17614 15326 1 13 . 1 1 293 293 ARG N N 305 121.401 121.401 119.505 1.896 17614 15327 1 13 . 1 1 293 293 ARG C C 305 175.521 175.521 178.174 -2.653 17614 15328 1 13 . 1 1 293 293 ARG CA C 305 59.639 59.639 58.344 1.295 17614 15329 1 13 . 1 1 293 293 ARG CB C 305 30.568 30.568 30.540 0.028 17614 15330 1 13 . 1 1 293 293 ARG H H 305 7.609 7.609 8.219 -0.610 17614 15331 1 13 . 1 1 294 294 GLU N N 306 120.090 120.090 116.948 3.142 17614 15332 1 13 . 1 1 294 294 GLU C C 306 177.648 177.648 179.267 -1.619 17614 15333 1 13 . 1 1 294 294 GLU CA C 306 59.624 59.624 58.611 1.014 17614 15334 1 13 . 1 1 294 294 GLU CB C 306 30.362 30.362 29.112 1.250 17614 15335 1 13 . 1 1 294 294 GLU H H 306 7.909 7.909 7.775 0.134 17614 15336 1 13 . 1 1 295 295 ALA N N 307 121.234 121.234 124.979 -3.745 17614 15337 1 13 . 1 1 295 295 ALA C C 307 176.014 176.014 177.222 -1.208 17614 15338 1 13 . 1 1 295 295 ALA CA C 307 56.844 56.844 55.490 1.354 17614 15339 1 13 . 1 1 295 295 ALA CB C 307 17.735 17.735 16.904 0.831 17614 15340 1 13 . 1 1 295 295 ALA H H 307 7.760 7.760 7.823 -0.063 17614 15341 1 14 . 1 1 3 3 VAL N N 15 123.095 123.095 124.743 -1.648 17614 15342 1 14 . 1 1 3 3 VAL C C 15 176.453 176.453 177.420 -0.967 17614 15343 1 14 . 1 1 3 3 VAL CA C 15 63.979 63.979 61.612 2.367 17614 15344 1 14 . 1 1 3 3 VAL CB C 15 32.507 32.507 33.143 -0.636 17614 15345 1 14 . 1 1 3 3 VAL H H 15 8.053 8.053 7.773 0.280 17614 15346 1 14 . 1 1 4 4 LYS N N 16 123.075 123.075 125.081 -2.006 17614 15347 1 14 . 1 1 4 4 LYS C C 16 176.841 176.841 179.282 -2.441 17614 15348 1 14 . 1 1 4 4 LYS CA C 16 59.762 59.762 59.190 0.572 17614 15349 1 14 . 1 1 4 4 LYS CB C 16 32.751 32.751 32.241 0.510 17614 15350 1 14 . 1 1 4 4 LYS H H 16 8.059 8.059 8.792 -0.733 17614 15351 1 14 . 1 1 5 5 PHE N N 17 118.838 118.838 120.672 -1.834 17614 15352 1 14 . 1 1 5 5 PHE C C 17 175.443 175.443 177.569 -2.126 17614 15353 1 14 . 1 1 5 5 PHE CA C 17 59.915 59.915 60.086 -0.171 17614 15354 1 14 . 1 1 5 5 PHE CB C 17 39.659 39.659 38.588 1.071 17614 15355 1 14 . 1 1 5 5 PHE H H 17 7.909 7.909 8.094 -0.185 17614 15356 1 14 . 1 1 6 6 LEU N N 18 119.089 119.089 120.120 -1.031 17614 15357 1 14 . 1 1 6 6 LEU C C 18 177.195 177.195 177.601 -0.406 17614 15358 1 14 . 1 1 6 6 LEU CA C 18 55.385 55.385 56.520 -1.135 17614 15359 1 14 . 1 1 6 6 LEU CB C 18 42.905 42.905 41.719 1.186 17614 15360 1 14 . 1 1 6 6 LEU H H 18 7.814 7.814 8.084 -0.270 17614 15361 1 14 . 1 1 7 7 GLY N N 19 108.484 108.484 107.729 0.755 17614 15362 1 14 . 1 1 7 7 GLY C C 19 174.967 174.967 175.504 -0.537 17614 15363 1 14 . 1 1 7 7 GLY CA C 19 45.518 45.518 47.094 -1.576 17614 15364 1 14 . 1 1 7 7 GLY H H 19 8.032 8.032 8.393 -0.361 17614 15365 1 14 . 1 1 8 8 ALA N N 20 124.208 124.208 123.740 0.468 17614 15366 1 14 . 1 1 8 8 ALA C C 20 179.405 179.405 178.957 0.448 17614 15367 1 14 . 1 1 8 8 ALA CA C 20 54.531 54.531 54.378 0.153 17614 15368 1 14 . 1 1 8 8 ALA CB C 20 18.995 18.995 18.338 0.657 17614 15369 1 14 . 1 1 8 8 ALA H H 20 8.318 8.318 7.923 0.395 17614 15370 1 14 . 1 1 9 9 GLY N N 21 108.209 108.209 107.189 1.020 17614 15371 1 14 . 1 1 9 9 GLY C C 21 175.676 175.676 176.200 -0.524 17614 15372 1 14 . 1 1 9 9 GLY CA C 21 46.742 46.742 47.140 -0.398 17614 15373 1 14 . 1 1 9 9 GLY H H 21 8.523 8.523 7.894 0.629 17614 15374 1 14 . 1 1 10 10 THR N N 22 119.542 119.542 117.796 1.746 17614 15375 1 14 . 1 1 10 10 THR C C 22 175.661 175.661 175.817 -0.156 17614 15376 1 14 . 1 1 10 10 THR CA C 22 66.401 66.401 66.145 0.256 17614 15377 1 14 . 1 1 10 10 THR CB C 22 68.866 68.866 68.613 0.253 17614 15378 1 14 . 1 1 10 10 THR H H 22 7.881 7.881 8.185 -0.304 17614 15379 1 14 . 1 1 11 11 ALA N N 23 123.431 123.431 123.508 -0.077 17614 15380 1 14 . 1 1 11 11 ALA C C 23 178.628 178.628 178.975 -0.347 17614 15381 1 14 . 1 1 11 11 ALA CA C 23 55.480 55.480 55.068 0.412 17614 15382 1 14 . 1 1 11 11 ALA CB C 23 18.218 18.218 18.016 0.202 17614 15383 1 14 . 1 1 11 11 ALA H H 23 8.263 8.263 7.403 0.860 17614 15384 1 14 . 1 1 12 12 ALA N N 24 119.939 119.939 120.512 -0.573 17614 15385 1 14 . 1 1 12 12 ALA C C 24 179.172 179.172 179.396 -0.224 17614 15386 1 14 . 1 1 12 12 ALA CA C 24 55.038 55.038 54.971 0.067 17614 15387 1 14 . 1 1 12 12 ALA CB C 24 18.385 18.385 18.048 0.337 17614 15388 1 14 . 1 1 12 12 ALA H H 24 7.827 7.827 8.227 -0.400 17614 15389 1 14 . 1 1 13 13 CYS N N 25 116.736 116.736 117.106 -0.370 17614 15390 1 14 . 1 1 13 13 CYS C C 25 176.220 176.220 176.971 -0.751 17614 15391 1 14 . 1 1 13 13 CYS CA C 25 58.596 58.596 63.818 -5.222 17614 15392 1 14 . 1 1 13 13 CYS CB C 25 41.771 41.771 28.186 13.585 17614 15393 1 14 . 1 1 13 13 CYS H H 25 7.677 7.677 7.368 0.309 17614 15394 1 14 . 1 1 14 14 ILE N N 26 119.154 119.154 118.418 0.736 17614 15395 1 14 . 1 1 14 14 ILE C C 26 176.915 176.915 177.258 -0.343 17614 15396 1 14 . 1 1 14 14 ILE CA C 26 64.858 64.858 64.256 0.602 17614 15397 1 14 . 1 1 14 14 ILE CB C 26 38.090 38.090 37.004 1.086 17614 15398 1 14 . 1 1 14 14 ILE H H 26 7.899 7.899 7.594 0.305 17614 15399 1 14 . 1 1 15 15 ALA N N 27 121.116 121.116 122.007 -0.891 17614 15400 1 14 . 1 1 15 15 ALA C C 27 179.016 179.016 178.821 0.195 17614 15401 1 14 . 1 1 15 15 ALA CA C 27 55.367 55.367 55.088 0.279 17614 15402 1 14 . 1 1 15 15 ALA CB C 27 18.385 18.385 18.739 -0.354 17614 15403 1 14 . 1 1 15 15 ALA H H 27 7.909 7.909 7.921 -0.012 17614 15404 1 14 . 1 1 16 16 ASP N N 28 116.829 116.829 117.147 -0.318 17614 15405 1 14 . 1 1 16 16 ASP C C 28 177.643 177.643 178.332 -0.689 17614 15406 1 14 . 1 1 16 16 ASP CA C 28 56.453 56.453 56.388 0.065 17614 15407 1 14 . 1 1 16 16 ASP CB C 28 41.128 41.128 40.574 0.554 17614 15408 1 14 . 1 1 16 16 ASP H H 28 7.554 7.554 7.567 -0.013 17614 15409 1 14 . 1 1 17 17 LEU N N 29 119.672 119.672 120.722 -1.050 17614 15410 1 14 . 1 1 17 17 LEU C C 29 178.628 178.628 179.259 -0.631 17614 15411 1 14 . 1 1 17 17 LEU CA C 29 57.144 57.144 57.922 -0.778 17614 15412 1 14 . 1 1 17 17 LEU CB C 29 43.146 43.146 41.566 1.581 17614 15413 1 14 . 1 1 17 17 LEU H H 29 7.732 7.732 7.293 0.439 17614 15414 1 14 . 1 1 18 18 ILE N N 30 113.629 113.629 111.957 1.672 17614 15415 1 14 . 1 1 18 18 ILE C C 30 176.456 176.456 176.949 -0.493 17614 15416 1 14 . 1 1 18 18 ILE CA C 30 60.539 60.539 63.770 -3.231 17614 15417 1 14 . 1 1 18 18 ILE CB C 30 38.506 38.506 37.670 0.836 17614 15418 1 14 . 1 1 18 18 ILE H H 30 7.977 7.977 7.641 0.336 17614 15419 1 14 . 1 1 19 19 THR N N 31 113.314 113.314 116.233 -2.919 17614 15420 1 14 . 1 1 19 19 THR C C 31 174.045 174.045 175.485 -1.440 17614 15421 1 14 . 1 1 19 19 THR CA C 31 62.495 62.495 63.819 -1.324 17614 15422 1 14 . 1 1 19 19 THR CB C 31 69.898 69.898 69.760 0.138 17614 15423 1 14 . 1 1 19 19 THR H H 31 7.738 7.738 7.404 0.334 17614 15424 1 14 . 1 1 20 20 PHE N N 32 123.409 123.409 123.946 -0.537 17614 15425 1 14 . 1 1 20 20 PHE CA C 32 56.349 56.349 61.948 -5.599 17614 15426 1 14 . 1 1 20 20 PHE CB C 32 39.148 39.148 37.364 1.784 17614 15427 1 14 . 1 1 20 20 PHE H H 32 7.609 7.609 8.661 -1.052 17614 15428 1 14 . 1 1 21 21 PRO C C 33 177.831 177.831 177.518 0.313 17614 15429 1 14 . 1 1 21 21 PRO CA C 33 62.656 62.656 64.971 -2.314 17614 15430 1 14 . 1 1 21 21 PRO CB C 33 34.762 34.762 31.039 3.723 17614 15431 1 14 . 1 1 22 22 LEU N N 34 124.503 124.503 116.388 8.115 17614 15432 1 14 . 1 1 22 22 LEU C C 34 176.298 176.298 178.341 -2.043 17614 15433 1 14 . 1 1 22 22 LEU CA C 34 55.545 55.545 57.198 -1.653 17614 15434 1 14 . 1 1 22 22 LEU CB C 34 43.287 43.287 41.507 1.780 17614 15435 1 14 . 1 1 22 22 LEU H H 34 8.659 8.659 7.168 1.491 17614 15436 1 14 . 1 1 23 23 ASP N N 35 121.663 121.663 117.711 3.952 17614 15437 1 14 . 1 1 23 23 ASP C C 35 177.152 177.152 178.095 -0.943 17614 15438 1 14 . 1 1 23 23 ASP CA C 35 54.326 54.326 56.755 -2.429 17614 15439 1 14 . 1 1 23 23 ASP CB C 35 41.154 41.154 39.698 1.456 17614 15440 1 14 . 1 1 23 23 ASP H H 35 8.236 8.236 7.711 0.525 17614 15441 1 14 . 1 1 24 24 THR N N 36 115.977 115.977 111.929 4.048 17614 15442 1 14 . 1 1 24 24 THR C C 36 177.088 177.088 176.226 0.862 17614 15443 1 14 . 1 1 24 24 THR CA C 36 64.868 64.868 65.614 -0.746 17614 15444 1 14 . 1 1 24 24 THR CB C 36 69.053 69.053 68.313 0.740 17614 15445 1 14 . 1 1 24 24 THR H H 36 8.127 8.127 7.653 0.474 17614 15446 1 14 . 1 1 25 25 ALA N N 37 125.063 125.063 123.568 1.495 17614 15447 1 14 . 1 1 25 25 ALA C C 37 179.143 179.143 179.197 -0.054 17614 15448 1 14 . 1 1 25 25 ALA CA C 37 55.234 55.234 54.979 0.255 17614 15449 1 14 . 1 1 25 25 ALA CB C 37 18.735 18.735 18.338 0.397 17614 15450 1 14 . 1 1 25 25 ALA H H 37 8.042 8.042 7.472 0.570 17614 15451 1 14 . 1 1 26 26 LYS N N 38 117.827 117.827 117.831 -0.004 17614 15452 1 14 . 1 1 26 26 LYS C C 38 178.239 178.239 178.429 -0.190 17614 15453 1 14 . 1 1 26 26 LYS CA C 38 58.861 58.861 58.957 -0.096 17614 15454 1 14 . 1 1 26 26 LYS CB C 38 32.724 32.724 32.013 0.711 17614 15455 1 14 . 1 1 26 26 LYS H H 38 7.759 7.759 7.573 0.186 17614 15456 1 14 . 1 1 27 27 VAL N N 39 118.955 118.955 115.456 3.499 17614 15457 1 14 . 1 1 27 27 VAL C C 39 177.892 177.892 178.121 -0.229 17614 15458 1 14 . 1 1 27 27 VAL CA C 39 65.478 65.478 64.462 1.016 17614 15459 1 14 . 1 1 27 27 VAL CB C 39 34.675 34.675 31.360 3.315 17614 15460 1 14 . 1 1 27 27 VAL H H 39 7.554 7.554 7.421 0.133 17614 15461 1 14 . 1 1 28 28 ARG N N 40 119.922 119.922 119.358 0.564 17614 15462 1 14 . 1 1 28 28 ARG C C 40 178.391 178.391 178.834 -0.443 17614 15463 1 14 . 1 1 28 28 ARG CA C 40 59.648 59.648 57.825 1.823 17614 15464 1 14 . 1 1 28 28 ARG CB C 40 29.933 29.933 29.707 0.226 17614 15465 1 14 . 1 1 28 28 ARG H H 40 7.794 7.794 7.441 0.353 17614 15466 1 14 . 1 1 29 29 LEU N N 41 118.720 118.720 122.029 -3.309 17614 15467 1 14 . 1 1 29 29 LEU CA C 41 54.749 54.749 54.227 0.522 17614 15468 1 14 . 1 1 29 29 LEU CB C 41 40.429 40.429 40.323 0.106 17614 15469 1 14 . 1 1 29 29 LEU H H 41 7.534 7.534 7.522 0.012 17614 15470 1 14 . 1 1 37 37 GLY C C 49 174.779 174.779 175.063 -0.284 17614 15471 1 14 . 1 1 38 38 LEU N N 50 123.029 123.029 121.330 1.699 17614 15472 1 14 . 1 1 38 38 LEU C C 50 178.482 178.482 177.975 0.507 17614 15473 1 14 . 1 1 38 38 LEU CA C 50 56.765 56.765 57.086 -0.321 17614 15474 1 14 . 1 1 38 38 LEU CB C 50 41.673 41.673 41.897 -0.223 17614 15475 1 14 . 1 1 38 38 LEU H H 50 8.113 8.113 7.855 0.258 17614 15476 1 14 . 1 1 39 39 VAL N N 51 118.714 118.714 115.150 3.564 17614 15477 1 14 . 1 1 39 39 VAL C C 51 178.032 178.032 178.071 -0.039 17614 15478 1 14 . 1 1 39 39 VAL CA C 51 66.037 66.037 65.282 0.755 17614 15479 1 14 . 1 1 39 39 VAL CB C 51 30.763 30.763 30.334 0.429 17614 15480 1 14 . 1 1 39 39 VAL H H 51 7.974 7.974 7.870 0.104 17614 15481 1 14 . 1 1 40 40 ARG N N 52 121.569 121.569 120.361 1.208 17614 15482 1 14 . 1 1 40 40 ARG CA C 52 59.167 59.167 59.133 0.034 17614 15483 1 14 . 1 1 40 40 ARG CB C 52 29.437 29.437 29.855 -0.417 17614 15484 1 14 . 1 1 40 40 ARG H H 52 8.231 8.231 8.290 -0.059 17614 15485 1 14 . 1 1 41 41 THR C C 53 175.108 175.108 174.979 0.129 17614 15486 1 14 . 1 1 41 41 THR H H 53 7.948 7.948 7.493 0.455 17614 15487 1 14 . 1 1 42 42 ALA N N 54 121.823 121.823 123.575 -1.752 17614 15488 1 14 . 1 1 42 42 ALA C C 54 174.922 174.922 176.723 -1.801 17614 15489 1 14 . 1 1 42 42 ALA CA C 54 50.101 50.101 50.694 -0.593 17614 15490 1 14 . 1 1 42 42 ALA CB C 54 18.950 18.950 18.670 0.280 17614 15491 1 14 . 1 1 42 42 ALA H H 54 7.792 7.792 7.888 -0.096 17614 15492 1 14 . 1 1 43 43 ALA N N 55 113.986 113.986 124.385 -10.399 17614 15493 1 14 . 1 1 43 43 ALA C C 55 178.007 178.007 177.093 0.914 17614 15494 1 14 . 1 1 43 43 ALA CA C 55 53.458 53.458 54.336 -0.878 17614 15495 1 14 . 1 1 43 43 ALA CB C 55 18.809 18.809 18.689 0.120 17614 15496 1 14 . 1 1 43 43 ALA H H 55 7.333 7.333 8.680 -1.347 17614 15497 1 14 . 1 1 44 44 SER N N 56 125.425 125.425 112.597 12.828 17614 15498 1 14 . 1 1 44 44 SER C C 56 174.899 174.899 173.659 1.240 17614 15499 1 14 . 1 1 44 44 SER CA C 56 59.520 59.520 56.954 2.566 17614 15500 1 14 . 1 1 44 44 SER CB C 56 64.051 64.051 63.835 0.216 17614 15501 1 14 . 1 1 44 44 SER H H 56 7.786 7.786 7.542 0.244 17614 15502 1 14 . 1 1 45 45 ALA N N 57 118.183 118.183 120.704 -2.521 17614 15503 1 14 . 1 1 45 45 ALA CA C 57 53.783 53.783 52.987 0.796 17614 15504 1 14 . 1 1 45 45 ALA CB C 57 17.599 17.599 17.625 -0.026 17614 15505 1 14 . 1 1 45 45 ALA H H 57 8.018 8.018 8.015 0.003 17614 15506 1 14 . 1 1 47 47 TYR C C 59 177.662 177.662 176.611 1.051 17614 15507 1 14 . 1 1 48 48 ARG N N 60 122.798 122.798 120.973 1.825 17614 15508 1 14 . 1 1 48 48 ARG C C 60 177.956 177.956 176.813 1.143 17614 15509 1 14 . 1 1 48 48 ARG CA C 60 58.711 58.711 57.386 1.325 17614 15510 1 14 . 1 1 48 48 ARG CB C 60 30.659 30.659 30.140 0.519 17614 15511 1 14 . 1 1 48 48 ARG H H 60 8.311 8.311 8.628 -0.317 17614 15512 1 14 . 1 1 49 49 GLY N N 61 109.033 109.033 107.245 1.788 17614 15513 1 14 . 1 1 49 49 GLY C C 61 176.064 176.064 175.654 0.410 17614 15514 1 14 . 1 1 49 49 GLY CA C 61 46.592 46.592 45.380 1.212 17614 15515 1 14 . 1 1 49 49 GLY H H 61 8.182 8.182 8.124 0.058 17614 15516 1 14 . 1 1 50 50 VAL N N 62 123.218 123.218 122.854 0.364 17614 15517 1 14 . 1 1 50 50 VAL C C 62 177.540 177.540 177.298 0.242 17614 15518 1 14 . 1 1 50 50 VAL CA C 62 66.277 66.277 64.510 1.767 17614 15519 1 14 . 1 1 50 50 VAL CB C 62 32.355 32.355 31.902 0.453 17614 15520 1 14 . 1 1 50 50 VAL H H 62 8.105 8.105 8.303 -0.198 17614 15521 1 14 . 1 1 51 51 LEU N N 63 120.295 120.295 120.585 -0.290 17614 15522 1 14 . 1 1 51 51 LEU C C 63 178.628 178.628 179.215 -0.587 17614 15523 1 14 . 1 1 51 51 LEU CA C 63 58.366 58.366 57.724 0.642 17614 15524 1 14 . 1 1 51 51 LEU CB C 63 41.675 41.675 40.603 1.072 17614 15525 1 14 . 1 1 51 51 LEU H H 63 8.182 8.182 8.236 -0.054 17614 15526 1 14 . 1 1 52 52 GLY N N 64 106.013 106.013 105.780 0.233 17614 15527 1 14 . 1 1 52 52 GLY C C 64 176.531 176.531 176.355 0.176 17614 15528 1 14 . 1 1 52 52 GLY CA C 64 47.765 47.765 47.277 0.488 17614 15529 1 14 . 1 1 52 52 GLY H H 64 8.102 8.102 7.706 0.396 17614 15530 1 14 . 1 1 53 53 THR N N 65 120.842 120.842 119.143 1.699 17614 15531 1 14 . 1 1 53 53 THR C C 65 176.453 176.453 176.806 -0.353 17614 15532 1 14 . 1 1 53 53 THR CA C 65 67.140 67.140 66.596 0.544 17614 15533 1 14 . 1 1 53 53 THR CB C 65 69.161 69.161 68.644 0.517 17614 15534 1 14 . 1 1 53 53 THR H H 65 7.854 7.854 7.477 0.377 17614 15535 1 14 . 1 1 54 54 ILE N N 66 122.676 122.676 118.831 3.845 17614 15536 1 14 . 1 1 54 54 ILE C C 66 177.307 177.307 177.545 -0.238 17614 15537 1 14 . 1 1 54 54 ILE CA C 66 65.832 65.832 64.343 1.490 17614 15538 1 14 . 1 1 54 54 ILE CB C 66 38.090 38.090 37.193 0.897 17614 15539 1 14 . 1 1 54 54 ILE H H 66 8.018 8.018 7.388 0.630 17614 15540 1 14 . 1 1 55 55 LEU N N 67 119.838 119.838 120.258 -0.420 17614 15541 1 14 . 1 1 55 55 LEU C C 67 178.706 178.706 178.624 0.082 17614 15542 1 14 . 1 1 55 55 LEU CA C 67 58.491 58.491 58.145 0.346 17614 15543 1 14 . 1 1 55 55 LEU CB C 67 41.387 41.387 41.742 -0.355 17614 15544 1 14 . 1 1 55 55 LEU H H 67 8.291 8.291 7.624 0.667 17614 15545 1 14 . 1 1 56 56 THR N N 68 115.362 115.362 114.965 0.397 17614 15546 1 14 . 1 1 56 56 THR C C 68 176.764 176.764 176.615 0.149 17614 15547 1 14 . 1 1 56 56 THR CA C 68 67.040 67.040 66.666 0.374 17614 15548 1 14 . 1 1 56 56 THR CB C 68 69.403 69.403 68.803 0.600 17614 15549 1 14 . 1 1 56 56 THR H H 68 7.963 7.963 7.285 0.678 17614 15550 1 14 . 1 1 57 57 MET N N 69 122.960 122.960 119.490 3.470 17614 15551 1 14 . 1 1 57 57 MET C C 69 177.153 177.153 177.764 -0.611 17614 15552 1 14 . 1 1 57 57 MET CA C 69 59.710 59.710 59.025 0.685 17614 15553 1 14 . 1 1 57 57 MET CB C 69 33.111 33.111 32.191 0.921 17614 15554 1 14 . 1 1 57 57 MET H H 69 7.977 7.977 7.626 0.351 17614 15555 1 14 . 1 1 58 58 VAL N N 70 119.558 119.558 120.316 -0.758 17614 15556 1 14 . 1 1 58 58 VAL C C 70 176.841 176.841 177.009 -0.168 17614 15557 1 14 . 1 1 58 58 VAL CA C 70 66.277 66.277 65.049 1.228 17614 15558 1 14 . 1 1 58 58 VAL CB C 70 31.362 31.362 31.581 -0.219 17614 15559 1 14 . 1 1 58 58 VAL H H 70 7.751 7.751 7.542 0.209 17614 15560 1 14 . 1 1 59 59 ARG N N 71 118.002 118.002 117.957 0.045 17614 15561 1 14 . 1 1 59 59 ARG C C 71 177.152 177.152 178.234 -1.082 17614 15562 1 14 . 1 1 59 59 ARG CA C 71 58.761 58.761 58.056 0.705 17614 15563 1 14 . 1 1 59 59 ARG CB C 71 30.656 30.656 30.191 0.465 17614 15564 1 14 . 1 1 59 59 ARG H H 71 7.827 7.827 7.527 0.300 17614 15565 1 14 . 1 1 60 60 THR N N 72 111.410 111.410 114.743 -3.333 17614 15566 1 14 . 1 1 60 60 THR C C 72 175.288 175.288 175.657 -0.369 17614 15567 1 14 . 1 1 60 60 THR CA C 72 64.194 64.194 65.591 -1.397 17614 15568 1 14 . 1 1 60 60 THR CB C 72 70.312 70.312 69.010 1.302 17614 15569 1 14 . 1 1 60 60 THR H H 72 7.745 7.745 7.653 0.092 17614 15570 1 14 . 1 1 61 61 GLU N N 73 120.577 120.577 119.355 1.222 17614 15571 1 14 . 1 1 61 61 GLU C C 73 177.696 177.696 176.289 1.407 17614 15572 1 14 . 1 1 61 61 GLU CA C 73 57.363 57.363 56.858 0.505 17614 15573 1 14 . 1 1 61 61 GLU CB C 73 30.927 30.927 31.995 -1.068 17614 15574 1 14 . 1 1 61 61 GLU H H 73 8.263 8.263 7.857 0.406 17614 15575 1 14 . 1 1 62 62 GLY N N 74 108.209 108.209 105.968 2.241 17614 15576 1 14 . 1 1 62 62 GLY CA C 74 45.593 45.593 44.879 0.714 17614 15577 1 14 . 1 1 62 62 GLY H H 74 7.841 7.841 7.409 0.432 17614 15578 1 14 . 1 1 63 63 PRO C C 75 177.152 177.152 178.236 -1.084 17614 15579 1 14 . 1 1 63 63 PRO CA C 75 65.652 65.652 64.769 0.883 17614 15580 1 14 . 1 1 63 63 PRO CB C 75 32.294 32.294 31.959 0.335 17614 15581 1 14 . 1 1 64 64 ARG N N 76 118.553 118.553 115.895 2.658 17614 15582 1 14 . 1 1 64 64 ARG C C 76 177.696 177.696 177.386 0.310 17614 15583 1 14 . 1 1 64 64 ARG CA C 76 59.785 59.785 57.920 1.865 17614 15584 1 14 . 1 1 64 64 ARG CB C 76 29.671 29.671 28.657 1.014 17614 15585 1 14 . 1 1 64 64 ARG H H 76 8.427 8.427 8.525 -0.098 17614 15586 1 14 . 1 1 65 65 SER N N 77 115.323 115.323 113.471 1.852 17614 15587 1 14 . 1 1 65 65 SER C C 77 177.230 177.230 175.574 1.656 17614 15588 1 14 . 1 1 65 65 SER CA C 77 61.318 61.318 60.424 0.894 17614 15589 1 14 . 1 1 65 65 SER CB C 77 63.281 63.281 63.349 -0.068 17614 15590 1 14 . 1 1 65 65 SER H H 77 7.963 7.963 8.183 -0.220 17614 15591 1 14 . 1 1 66 66 LEU N N 78 122.598 122.598 119.901 2.697 17614 15592 1 14 . 1 1 66 66 LEU C C 78 177.696 177.696 177.572 0.124 17614 15593 1 14 . 1 1 66 66 LEU CA C 78 57.792 57.792 56.431 1.361 17614 15594 1 14 . 1 1 66 66 LEU CB C 78 42.202 42.202 42.148 0.054 17614 15595 1 14 . 1 1 66 66 LEU H H 78 7.595 7.595 7.462 0.133 17614 15596 1 14 . 1 1 67 67 TYR N N 79 119.276 119.276 112.762 6.514 17614 15597 1 14 . 1 1 67 67 TYR C C 79 176.142 176.142 175.795 0.347 17614 15598 1 14 . 1 1 67 67 TYR CA C 79 60.792 60.792 58.128 2.664 17614 15599 1 14 . 1 1 67 67 TYR CB C 79 38.687 38.687 38.786 -0.099 17614 15600 1 14 . 1 1 67 67 TYR H H 79 7.868 7.868 7.349 0.519 17614 15601 1 14 . 1 1 68 68 ASN N N 80 117.249 117.249 119.074 -1.825 17614 15602 1 14 . 1 1 68 68 ASN C C 80 178.472 178.472 175.740 2.732 17614 15603 1 14 . 1 1 68 68 ASN CA C 80 53.024 53.024 53.302 -0.278 17614 15604 1 14 . 1 1 68 68 ASN CB C 80 37.946 37.946 38.189 -0.243 17614 15605 1 14 . 1 1 68 68 ASN H H 80 8.374 8.374 7.378 0.996 17614 15606 1 14 . 1 1 69 69 GLY N N 81 108.575 108.575 113.793 -5.218 17614 15607 1 14 . 1 1 69 69 GLY C C 81 175.521 175.521 175.427 0.094 17614 15608 1 14 . 1 1 69 69 GLY CA C 81 46.266 46.266 45.628 0.638 17614 15609 1 14 . 1 1 69 69 GLY H H 81 8.086 8.086 8.560 -0.474 17614 15610 1 14 . 1 1 70 70 LEU N N 82 124.326 124.326 121.231 3.095 17614 15611 1 14 . 1 1 70 70 LEU C C 82 178.239 178.239 177.753 0.486 17614 15612 1 14 . 1 1 70 70 LEU CA C 82 58.217 58.217 57.672 0.545 17614 15613 1 14 . 1 1 70 70 LEU CB C 82 42.351 42.351 41.454 0.897 17614 15614 1 14 . 1 1 70 70 LEU H H 82 7.991 7.991 7.164 0.827 17614 15615 1 14 . 1 1 71 71 VAL N N 83 117.727 117.727 118.376 -0.649 17614 15616 1 14 . 1 1 71 71 VAL C C 83 177.851 177.851 176.597 1.254 17614 15617 1 14 . 1 1 71 71 VAL CA C 83 64.113 64.113 64.745 -0.632 17614 15618 1 14 . 1 1 71 71 VAL CB C 83 31.924 31.924 31.657 0.267 17614 15619 1 14 . 1 1 71 71 VAL H H 83 8.004 8.004 8.100 -0.096 17614 15620 1 14 . 1 1 72 72 ALA N N 84 121.414 121.414 121.729 -0.315 17614 15621 1 14 . 1 1 72 72 ALA C C 84 180.570 180.570 179.677 0.893 17614 15622 1 14 . 1 1 72 72 ALA CA C 84 55.031 55.031 54.691 0.340 17614 15623 1 14 . 1 1 72 72 ALA CB C 84 18.286 18.286 18.193 0.093 17614 15624 1 14 . 1 1 72 72 ALA H H 84 7.677 7.677 7.574 0.103 17614 15625 1 14 . 1 1 73 73 GLY N N 85 106.471 106.471 107.609 -1.138 17614 15626 1 14 . 1 1 73 73 GLY C C 85 175.521 175.521 176.061 -0.540 17614 15627 1 14 . 1 1 73 73 GLY CA C 85 47.191 47.191 46.708 0.483 17614 15628 1 14 . 1 1 73 73 GLY H H 85 7.963 7.963 7.631 0.332 17614 15629 1 14 . 1 1 74 74 LEU N N 86 122.326 122.326 122.628 -0.302 17614 15630 1 14 . 1 1 74 74 LEU C C 86 178.239 178.239 179.231 -0.992 17614 15631 1 14 . 1 1 74 74 LEU CA C 86 57.493 57.493 57.536 -0.043 17614 15632 1 14 . 1 1 74 74 LEU CB C 86 42.202 42.202 41.664 0.538 17614 15633 1 14 . 1 1 74 74 LEU H H 86 8.100 8.100 7.511 0.589 17614 15634 1 14 . 1 1 75 75 GLN N N 87 117.736 117.736 117.975 -0.239 17614 15635 1 14 . 1 1 75 75 GLN C C 87 177.340 177.340 178.022 -0.682 17614 15636 1 14 . 1 1 75 75 GLN CA C 87 57.787 57.787 58.615 -0.828 17614 15637 1 14 . 1 1 75 75 GLN CB C 87 28.942 28.942 28.092 0.850 17614 15638 1 14 . 1 1 75 75 GLN H H 87 8.004 8.004 7.795 0.209 17614 15639 1 14 . 1 1 76 76 ARG N N 88 118.107 118.107 119.251 -1.144 17614 15640 1 14 . 1 1 76 76 ARG C C 88 177.930 177.930 178.985 -1.055 17614 15641 1 14 . 1 1 76 76 ARG CA C 88 58.062 58.062 59.871 -1.809 17614 15642 1 14 . 1 1 76 76 ARG CB C 88 30.774 30.774 29.951 0.823 17614 15643 1 14 . 1 1 76 76 ARG H H 88 7.568 7.568 7.446 0.122 17614 15644 1 14 . 1 1 77 77 GLN N N 89 117.921 117.921 117.595 0.326 17614 15645 1 14 . 1 1 77 77 GLN C C 89 177.375 177.375 178.479 -1.104 17614 15646 1 14 . 1 1 77 77 GLN CA C 89 56.838 56.838 58.418 -1.580 17614 15647 1 14 . 1 1 77 77 GLN CB C 89 29.006 29.006 28.279 0.727 17614 15648 1 14 . 1 1 77 77 GLN H H 89 7.827 7.827 7.587 0.240 17614 15649 1 14 . 1 1 78 78 MET N N 90 118.378 118.378 120.268 -1.890 17614 15650 1 14 . 1 1 78 78 MET C C 90 176.365 176.365 177.694 -1.329 17614 15651 1 14 . 1 1 78 78 MET CA C 90 56.339 56.339 57.947 -1.608 17614 15652 1 14 . 1 1 78 78 MET CB C 90 33.444 33.444 32.310 1.134 17614 15653 1 14 . 1 1 78 78 MET H H 90 7.963 7.963 8.444 -0.481 17614 15654 1 14 . 1 1 79 79 SER N N 91 115.089 115.089 115.637 -0.548 17614 15655 1 14 . 1 1 79 79 SER C C 91 175.899 175.899 176.450 -0.551 17614 15656 1 14 . 1 1 79 79 SER CA C 91 58.621 58.621 60.887 -2.266 17614 15657 1 14 . 1 1 79 79 SER CB C 91 64.337 64.337 62.808 1.529 17614 15658 1 14 . 1 1 79 79 SER H H 91 7.868 7.868 7.913 -0.045 17614 15659 1 14 . 1 1 80 80 PHE N N 92 122.852 122.852 123.428 -0.576 17614 15660 1 14 . 1 1 80 80 PHE C C 92 177.375 177.375 176.548 0.827 17614 15661 1 14 . 1 1 80 80 PHE CA C 92 59.095 59.095 61.510 -2.415 17614 15662 1 14 . 1 1 80 80 PHE CB C 92 38.937 38.937 39.182 -0.245 17614 15663 1 14 . 1 1 80 80 PHE H H 92 8.332 8.332 7.557 0.775 17614 15664 1 14 . 1 1 81 81 ALA N N 93 123.258 123.258 119.890 3.368 17614 15665 1 14 . 1 1 81 81 ALA C C 93 178.628 178.628 178.831 -0.203 17614 15666 1 14 . 1 1 81 81 ALA CA C 93 54.881 54.881 54.369 0.512 17614 15667 1 14 . 1 1 81 81 ALA CB C 93 17.902 17.902 18.303 -0.401 17614 15668 1 14 . 1 1 81 81 ALA H H 93 8.223 8.223 7.792 0.431 17614 15669 1 14 . 1 1 82 82 SER N N 94 112.886 112.886 115.493 -2.607 17614 15670 1 14 . 1 1 82 82 SER C C 94 176.831 176.831 177.095 -0.264 17614 15671 1 14 . 1 1 82 82 SER CA C 94 60.319 60.319 60.942 -0.623 17614 15672 1 14 . 1 1 82 82 SER CB C 94 63.611 63.611 63.555 0.056 17614 15673 1 14 . 1 1 82 82 SER H H 94 7.977 7.977 7.687 0.290 17614 15674 1 14 . 1 1 83 83 VAL N N 95 121.854 121.854 118.345 3.509 17614 15675 1 14 . 1 1 83 83 VAL C C 95 176.220 176.220 176.497 -0.277 17614 15676 1 14 . 1 1 83 83 VAL CA C 95 64.629 64.629 65.062 -0.433 17614 15677 1 14 . 1 1 83 83 VAL CB C 95 31.328 31.328 31.268 0.060 17614 15678 1 14 . 1 1 83 83 VAL H H 95 7.581 7.581 7.772 -0.191 17614 15679 1 14 . 1 1 84 84 ARG N N 96 121.329 121.329 118.777 2.552 17614 15680 1 14 . 1 1 84 84 ARG C C 96 176.814 176.814 176.918 -0.104 17614 15681 1 14 . 1 1 84 84 ARG CA C 96 58.636 58.636 58.168 0.468 17614 15682 1 14 . 1 1 84 84 ARG CB C 96 30.672 30.672 29.356 1.316 17614 15683 1 14 . 1 1 84 84 ARG H H 96 7.936 7.936 7.397 0.539 17614 15684 1 14 . 1 1 85 85 ILE N N 97 119.194 119.194 118.486 0.708 17614 15685 1 14 . 1 1 85 85 ILE C C 97 177.152 177.152 176.630 0.522 17614 15686 1 14 . 1 1 85 85 ILE CA C 97 63.296 63.296 61.607 1.689 17614 15687 1 14 . 1 1 85 85 ILE CB C 97 38.757 38.757 37.533 1.224 17614 15688 1 14 . 1 1 85 85 ILE H H 97 7.802 7.802 7.526 0.276 17614 15689 1 14 . 1 1 86 86 GLY N N 98 109.857 109.857 107.913 1.944 17614 15690 1 14 . 1 1 86 86 GLY C C 98 176.064 176.064 174.784 1.280 17614 15691 1 14 . 1 1 86 86 GLY CA C 98 46.941 46.941 46.052 0.889 17614 15692 1 14 . 1 1 86 86 GLY H H 98 8.127 8.127 7.826 0.301 17614 15693 1 14 . 1 1 87 87 LEU N N 99 123.258 123.258 122.544 0.714 17614 15694 1 14 . 1 1 87 87 LEU C C 99 177.856 177.856 177.938 -0.082 17614 15695 1 14 . 1 1 87 87 LEU CA C 99 58.264 58.264 56.855 1.409 17614 15696 1 14 . 1 1 87 87 LEU CB C 99 42.488 42.488 41.459 1.029 17614 15697 1 14 . 1 1 87 87 LEU H H 99 8.223 8.223 8.493 -0.270 17614 15698 1 14 . 1 1 88 88 TYR N N 100 119.770 119.770 120.726 -0.956 17614 15699 1 14 . 1 1 88 88 TYR C C 100 176.997 176.997 176.909 0.088 17614 15700 1 14 . 1 1 88 88 TYR CA C 100 61.592 61.592 62.239 -0.647 17614 15701 1 14 . 1 1 88 88 TYR CB C 100 38.809 38.809 38.687 0.122 17614 15702 1 14 . 1 1 88 88 TYR H H 100 8.207 8.207 7.798 0.409 17614 15703 1 14 . 1 1 89 89 ASP N N 101 118.460 118.460 117.768 0.692 17614 15704 1 14 . 1 1 89 89 ASP C C 101 178.939 178.939 178.509 0.430 17614 15705 1 14 . 1 1 89 89 ASP CA C 101 57.797 57.797 57.044 0.753 17614 15706 1 14 . 1 1 89 89 ASP CB C 101 40.498 40.498 40.519 -0.021 17614 15707 1 14 . 1 1 89 89 ASP H H 101 8.401 8.401 8.685 -0.284 17614 15708 1 14 . 1 1 90 90 SER N N 102 116.022 116.022 115.526 0.496 17614 15709 1 14 . 1 1 90 90 SER C C 102 176.005 176.005 176.299 -0.294 17614 15710 1 14 . 1 1 90 90 SER CA C 102 62.791 62.791 62.139 0.652 17614 15711 1 14 . 1 1 90 90 SER CB C 102 64.211 64.211 63.191 1.020 17614 15712 1 14 . 1 1 90 90 SER H H 102 7.854 7.854 7.745 0.109 17614 15713 1 14 . 1 1 91 91 VAL N N 103 120.844 120.844 117.703 3.141 17614 15714 1 14 . 1 1 91 91 VAL C C 103 177.307 177.307 177.424 -0.117 17614 15715 1 14 . 1 1 91 91 VAL CA C 103 66.510 66.510 65.090 1.420 17614 15716 1 14 . 1 1 91 91 VAL CB C 103 31.965 31.965 31.308 0.657 17614 15717 1 14 . 1 1 91 91 VAL H H 103 7.926 7.926 7.240 0.686 17614 15718 1 14 . 1 1 92 92 LYS N N 104 120.468 120.468 119.853 0.615 17614 15719 1 14 . 1 1 92 92 LYS C C 104 178.861 178.861 179.015 -0.154 17614 15720 1 14 . 1 1 92 92 LYS CA C 104 60.184 60.184 59.014 1.170 17614 15721 1 14 . 1 1 92 92 LYS CB C 104 31.979 31.979 31.724 0.255 17614 15722 1 14 . 1 1 92 92 LYS H H 104 8.127 8.127 7.460 0.667 17614 15723 1 14 . 1 1 93 93 GLN N N 105 118.386 118.386 117.188 1.198 17614 15724 1 14 . 1 1 93 93 GLN C C 105 177.540 177.540 177.534 0.006 17614 15725 1 14 . 1 1 93 93 GLN CA C 105 58.786 58.786 57.780 1.006 17614 15726 1 14 . 1 1 93 93 GLN CB C 105 28.377 28.377 28.645 -0.268 17614 15727 1 14 . 1 1 93 93 GLN H H 105 7.841 7.841 7.883 -0.042 17614 15728 1 14 . 1 1 94 94 PHE N N 106 119.471 119.471 116.857 2.614 17614 15729 1 14 . 1 1 94 94 PHE C C 106 176.531 176.531 175.147 1.384 17614 15730 1 14 . 1 1 94 94 PHE CA C 106 60.593 60.593 60.159 0.434 17614 15731 1 14 . 1 1 94 94 PHE CB C 106 39.459 39.459 39.223 0.236 17614 15732 1 14 . 1 1 94 94 PHE H H 106 7.772 7.772 7.383 0.389 17614 15733 1 14 . 1 1 95 95 TYR N N 107 118.288 118.288 112.909 5.379 17614 15734 1 14 . 1 1 95 95 TYR C C 107 176.220 176.220 176.786 -0.566 17614 15735 1 14 . 1 1 95 95 TYR CA C 107 60.543 60.543 58.200 2.343 17614 15736 1 14 . 1 1 95 95 TYR CB C 107 38.819 38.819 39.796 -0.977 17614 15737 1 14 . 1 1 95 95 TYR H H 107 8.045 8.045 7.241 0.804 17614 15738 1 14 . 1 1 96 96 THR N N 108 113.383 113.383 113.618 -0.235 17614 15739 1 14 . 1 1 96 96 THR C C 108 175.288 175.288 173.948 1.340 17614 15740 1 14 . 1 1 96 96 THR CA C 108 64.094 64.094 61.762 2.332 17614 15741 1 14 . 1 1 96 96 THR CB C 108 69.986 69.986 68.289 1.697 17614 15742 1 14 . 1 1 96 96 THR H H 108 7.868 7.868 7.511 0.357 17614 15743 1 14 . 1 1 101 101 HIS C C 113 173.413 173.413 173.660 -0.247 17614 15744 1 14 . 1 1 101 101 HIS H H 113 7.968 7.968 8.639 -0.671 17614 15745 1 14 . 1 1 102 102 ALA N N 114 119.456 119.456 124.200 -4.744 17614 15746 1 14 . 1 1 102 102 ALA C C 114 177.851 177.851 176.562 1.289 17614 15747 1 14 . 1 1 102 102 ALA CA C 114 53.283 53.283 52.485 0.798 17614 15748 1 14 . 1 1 102 102 ALA CB C 114 19.362 19.362 18.907 0.455 17614 15749 1 14 . 1 1 102 102 ALA H H 114 8.433 8.433 8.162 0.271 17614 15750 1 14 . 1 1 103 103 GLY N N 115 108.484 108.484 106.133 2.351 17614 15751 1 14 . 1 1 103 103 GLY C C 115 174.822 174.822 175.075 -0.253 17614 15752 1 14 . 1 1 103 103 GLY CA C 115 45.968 45.968 45.252 0.716 17614 15753 1 14 . 1 1 103 103 GLY H H 115 8.250 8.250 8.162 0.088 17614 15754 1 14 . 1 1 104 104 ILE N N 116 121.139 121.139 121.693 -0.554 17614 15755 1 14 . 1 1 104 104 ILE C C 116 176.841 176.841 177.449 -0.608 17614 15756 1 14 . 1 1 104 104 ILE CA C 116 63.160 63.160 64.328 -1.168 17614 15757 1 14 . 1 1 104 104 ILE CB C 116 38.853 38.853 37.780 1.073 17614 15758 1 14 . 1 1 104 104 ILE H H 116 8.127 8.127 8.097 0.030 17614 15759 1 14 . 1 1 105 105 GLY N N 117 110.863 110.863 107.199 3.664 17614 15760 1 14 . 1 1 105 105 GLY C C 117 174.588 174.588 176.138 -1.550 17614 15761 1 14 . 1 1 105 105 GLY CA C 117 46.791 46.791 47.109 -0.318 17614 15762 1 14 . 1 1 105 105 GLY H H 117 8.509 8.509 8.349 0.160 17614 15763 1 14 . 1 1 106 106 SER N N 118 116.069 116.069 117.282 -1.213 17614 15764 1 14 . 1 1 106 106 SER C C 118 175.754 175.754 176.926 -1.172 17614 15765 1 14 . 1 1 106 106 SER CA C 118 60.319 60.319 61.387 -1.068 17614 15766 1 14 . 1 1 106 106 SER CB C 118 63.864 63.864 63.019 0.845 17614 15767 1 14 . 1 1 106 106 SER H H 118 7.991 7.991 8.033 -0.042 17614 15768 1 14 . 1 1 107 107 ARG N N 119 122.134 122.134 121.345 0.789 17614 15769 1 14 . 1 1 107 107 ARG C C 119 178.228 178.228 178.725 -0.497 17614 15770 1 14 . 1 1 107 107 ARG CA C 119 57.787 57.787 58.943 -1.156 17614 15771 1 14 . 1 1 107 107 ARG CB C 119 30.549 30.549 29.689 0.860 17614 15772 1 14 . 1 1 107 107 ARG H H 119 7.963 7.963 8.623 -0.660 17614 15773 1 14 . 1 1 108 108 LEU N N 120 120.403 120.403 122.318 -1.915 17614 15774 1 14 . 1 1 108 108 LEU C C 120 177.230 177.230 178.087 -0.857 17614 15775 1 14 . 1 1 108 108 LEU CA C 120 57.967 57.967 58.261 -0.295 17614 15776 1 14 . 1 1 108 108 LEU CB C 120 42.146 42.146 41.754 0.392 17614 15777 1 14 . 1 1 108 108 LEU H H 120 7.914 7.914 7.708 0.206 17614 15778 1 14 . 1 1 109 109 LEU N N 121 118.960 118.960 119.441 -0.481 17614 15779 1 14 . 1 1 109 109 LEU C C 121 177.152 177.152 178.947 -1.795 17614 15780 1 14 . 1 1 109 109 LEU CA C 121 55.495 55.495 58.322 -2.827 17614 15781 1 14 . 1 1 109 109 LEU CB C 121 42.238 42.238 41.236 1.002 17614 15782 1 14 . 1 1 109 109 LEU H H 121 7.718 7.718 8.369 -0.651 17614 15783 1 14 . 1 1 110 110 ALA N N 122 123.063 123.063 122.254 0.809 17614 15784 1 14 . 1 1 110 110 ALA C C 122 178.317 178.317 180.246 -1.929 17614 15785 1 14 . 1 1 110 110 ALA CA C 122 53.358 53.358 55.235 -1.877 17614 15786 1 14 . 1 1 110 110 ALA CB C 122 19.218 19.218 18.535 0.683 17614 15787 1 14 . 1 1 110 110 ALA H H 122 7.745 7.745 8.997 -1.252 17614 15788 1 14 . 1 1 111 111 GLY N N 123 107.843 107.843 106.759 1.084 17614 15789 1 14 . 1 1 111 111 GLY C C 123 176.912 176.912 176.359 0.553 17614 15790 1 14 . 1 1 111 111 GLY CA C 123 45.943 45.943 47.077 -1.134 17614 15791 1 14 . 1 1 111 111 GLY H H 123 8.113 8.113 8.997 -0.884 17614 15792 1 14 . 1 1 112 112 SER N N 124 116.105 116.105 116.935 -0.830 17614 15793 1 14 . 1 1 112 112 SER C C 124 175.574 175.574 176.809 -1.235 17614 15794 1 14 . 1 1 112 112 SER CA C 124 59.145 59.145 62.011 -2.866 17614 15795 1 14 . 1 1 112 112 SER CB C 124 64.211 64.211 63.303 0.908 17614 15796 1 14 . 1 1 112 112 SER H H 124 8.109 8.109 8.670 -0.561 17614 15797 1 14 . 1 1 113 113 THR N N 125 116.069 116.069 116.009 0.060 17614 15798 1 14 . 1 1 113 113 THR C C 125 176.055 176.055 176.879 -0.824 17614 15799 1 14 . 1 1 113 113 THR CA C 125 66.921 66.921 65.832 1.089 17614 15800 1 14 . 1 1 113 113 THR CB C 125 69.682 69.682 68.599 1.083 17614 15801 1 14 . 1 1 113 113 THR H H 125 8.086 8.086 8.306 -0.220 17614 15802 1 14 . 1 1 114 114 THR N N 126 115.439 115.439 118.862 -3.423 17614 15803 1 14 . 1 1 114 114 THR C C 126 177.443 177.443 176.772 0.671 17614 15804 1 14 . 1 1 114 114 THR CA C 126 65.285 65.285 66.944 -1.659 17614 15805 1 14 . 1 1 114 114 THR CB C 126 68.364 68.364 68.450 -0.086 17614 15806 1 14 . 1 1 114 114 THR H H 126 7.977 7.977 8.616 -0.639 17614 15807 1 14 . 1 1 115 115 GLY N N 127 115.453 115.453 108.753 6.700 17614 15808 1 14 . 1 1 115 115 GLY C C 127 174.215 174.215 175.059 -0.844 17614 15809 1 14 . 1 1 115 115 GLY CA C 127 46.117 46.117 46.845 -0.728 17614 15810 1 14 . 1 1 115 115 GLY H H 127 8.168 8.168 8.234 -0.066 17614 15811 1 14 . 1 1 116 116 ALA N N 128 123.952 123.952 124.678 -0.726 17614 15812 1 14 . 1 1 116 116 ALA C C 128 178.162 178.162 179.427 -1.265 17614 15813 1 14 . 1 1 116 116 ALA CA C 128 53.349 53.349 54.742 -1.393 17614 15814 1 14 . 1 1 116 116 ALA CB C 128 19.099 19.099 18.520 0.579 17614 15815 1 14 . 1 1 116 116 ALA H H 128 7.919 7.919 7.466 0.453 17614 15816 1 14 . 1 1 117 117 LEU N N 129 120.025 120.025 118.560 1.465 17614 15817 1 14 . 1 1 117 117 LEU C C 129 177.949 177.949 179.122 -1.173 17614 15818 1 14 . 1 1 117 117 LEU CA C 129 56.019 56.019 57.503 -1.484 17614 15819 1 14 . 1 1 117 117 LEU CB C 129 42.340 42.340 41.100 1.240 17614 15820 1 14 . 1 1 117 117 LEU H H 129 7.936 7.936 7.584 0.352 17614 15821 1 14 . 1 1 118 118 ALA N N 130 123.402 123.402 121.544 1.858 17614 15822 1 14 . 1 1 118 118 ALA C C 130 177.929 177.929 179.624 -1.695 17614 15823 1 14 . 1 1 118 118 ALA CA C 130 53.283 53.283 54.947 -1.663 17614 15824 1 14 . 1 1 118 118 ALA CB C 130 18.964 18.964 18.152 0.812 17614 15825 1 14 . 1 1 118 118 ALA H H 130 7.868 7.868 7.950 -0.082 17614 15826 1 14 . 1 1 119 119 VAL N N 131 118.111 118.111 117.502 0.609 17614 15827 1 14 . 1 1 119 119 VAL C C 131 176.025 176.025 177.031 -1.006 17614 15828 1 14 . 1 1 119 119 VAL CA C 131 63.180 63.180 64.720 -1.540 17614 15829 1 14 . 1 1 119 119 VAL CB C 131 32.898 32.898 31.529 1.369 17614 15830 1 14 . 1 1 119 119 VAL H H 131 7.636 7.636 7.946 -0.310 17614 15831 1 14 . 1 1 120 120 ALA N N 132 124.047 124.047 122.599 1.448 17614 15832 1 14 . 1 1 120 120 ALA C C 132 179.008 179.008 178.413 0.595 17614 15833 1 14 . 1 1 120 120 ALA CA C 132 53.707 53.707 54.482 -0.775 17614 15834 1 14 . 1 1 120 120 ALA CB C 132 19.150 19.150 18.659 0.491 17614 15835 1 14 . 1 1 120 120 ALA H H 132 7.911 7.911 7.597 0.314 17614 15836 1 14 . 1 1 121 121 VAL N N 133 113.349 113.349 117.894 -4.545 17614 15837 1 14 . 1 1 121 121 VAL C C 133 175.527 175.527 175.875 -0.348 17614 15838 1 14 . 1 1 121 121 VAL CA C 133 64.115 64.115 63.134 0.981 17614 15839 1 14 . 1 1 121 121 VAL CB C 133 31.832 31.832 32.556 -0.724 17614 15840 1 14 . 1 1 121 121 VAL H H 133 7.094 7.094 7.495 -0.401 17614 15841 1 14 . 1 1 122 122 ALA N N 134 123.224 123.224 120.019 3.205 17614 15842 1 14 . 1 1 122 122 ALA CA C 134 55.493 55.493 52.448 3.045 17614 15843 1 14 . 1 1 122 122 ALA H H 134 7.586 7.586 7.494 0.092 17614 15844 1 14 . 1 1 124 124 PRO C C 136 177.074 177.074 178.833 -1.759 17614 15845 1 14 . 1 1 125 125 THR N N 137 113.281 113.281 113.700 -0.419 17614 15846 1 14 . 1 1 125 125 THR C C 137 174.485 174.485 176.883 -2.398 17614 15847 1 14 . 1 1 125 125 THR CA C 137 64.496 64.496 66.680 -2.184 17614 15848 1 14 . 1 1 125 125 THR CB C 137 69.997 69.997 68.363 1.634 17614 15849 1 14 . 1 1 125 125 THR H H 137 7.963 7.963 8.390 -0.427 17614 15850 1 14 . 1 1 126 126 ASP N N 138 122.770 122.770 122.347 0.423 17614 15851 1 14 . 1 1 126 126 ASP C C 138 178.458 178.458 178.463 -0.005 17614 15852 1 14 . 1 1 126 126 ASP CA C 138 56.776 56.776 57.083 -0.307 17614 15853 1 14 . 1 1 126 126 ASP CB C 138 41.023 41.023 40.301 0.722 17614 15854 1 14 . 1 1 126 126 ASP H H 138 8.094 8.094 7.784 0.310 17614 15855 1 14 . 1 1 127 127 VAL N N 139 119.931 119.931 116.897 3.034 17614 15856 1 14 . 1 1 127 127 VAL C C 139 177.502 177.502 177.813 -0.311 17614 15857 1 14 . 1 1 127 127 VAL CA C 139 66.455 66.455 66.203 0.253 17614 15858 1 14 . 1 1 127 127 VAL CB C 139 32.804 32.804 31.755 1.049 17614 15859 1 14 . 1 1 127 127 VAL H H 139 7.753 7.753 7.582 0.171 17614 15860 1 14 . 1 1 128 128 VAL N N 140 120.539 120.539 116.814 3.725 17614 15861 1 14 . 1 1 128 128 VAL C C 140 176.232 176.232 177.883 -1.651 17614 15862 1 14 . 1 1 128 128 VAL CA C 140 66.770 66.770 66.272 0.498 17614 15863 1 14 . 1 1 128 128 VAL CB C 140 32.086 32.086 31.424 0.662 17614 15864 1 14 . 1 1 128 128 VAL H H 140 8.295 8.295 7.693 0.602 17614 15865 1 14 . 1 1 129 129 LYS N N 141 120.122 120.122 120.491 -0.369 17614 15866 1 14 . 1 1 129 129 LYS C C 141 176.120 176.120 179.087 -2.967 17614 15867 1 14 . 1 1 129 129 LYS CA C 141 55.991 55.991 59.734 -3.743 17614 15868 1 14 . 1 1 129 129 LYS CB C 141 31.712 31.712 32.395 -0.683 17614 15869 1 14 . 1 1 129 129 LYS H H 141 7.698 7.698 7.466 0.232 17614 15870 1 14 . 1 1 130 130 VAL N N 142 120.104 120.104 116.980 3.124 17614 15871 1 14 . 1 1 130 130 VAL CA C 142 63.230 63.230 65.640 -2.410 17614 15872 1 14 . 1 1 130 130 VAL H H 142 7.772 7.772 7.408 0.364 17614 15873 1 14 . 1 1 131 131 ARG C C 143 178.401 178.401 178.429 -0.028 17614 15874 1 14 . 1 1 131 131 ARG H H 143 7.999 7.999 7.821 0.178 17614 15875 1 14 . 1 1 132 132 PHE N N 144 120.445 120.445 119.087 1.358 17614 15876 1 14 . 1 1 132 132 PHE C C 144 177.856 177.856 176.625 1.231 17614 15877 1 14 . 1 1 132 132 PHE CA C 144 61.438 61.438 61.134 0.304 17614 15878 1 14 . 1 1 132 132 PHE H H 144 8.395 8.395 8.547 -0.152 17614 15879 1 14 . 1 1 133 133 GLN N N 145 124.180 124.180 116.683 7.497 17614 15880 1 14 . 1 1 133 133 GLN C C 145 174.844 174.844 177.533 -2.689 17614 15881 1 14 . 1 1 133 133 GLN CA C 145 56.414 56.414 57.727 -1.313 17614 15882 1 14 . 1 1 133 133 GLN CB C 145 30.721 30.721 29.079 1.641 17614 15883 1 14 . 1 1 133 133 GLN H H 145 8.094 8.094 7.751 0.343 17614 15884 1 14 . 1 1 134 134 ALA N N 146 120.452 120.452 120.189 0.263 17614 15885 1 14 . 1 1 134 134 ALA C C 146 177.929 177.929 177.746 0.183 17614 15886 1 14 . 1 1 134 134 ALA CA C 146 53.483 53.483 53.254 0.230 17614 15887 1 14 . 1 1 134 134 ALA CB C 146 18.431 18.431 19.102 -0.671 17614 15888 1 14 . 1 1 134 134 ALA H H 146 7.939 7.939 7.449 0.490 17614 15889 1 14 . 1 1 135 135 GLN N N 147 119.388 119.388 118.457 0.931 17614 15890 1 14 . 1 1 135 135 GLN C C 147 176.029 176.029 174.938 1.091 17614 15891 1 14 . 1 1 135 135 GLN CA C 147 56.339 56.339 55.863 0.476 17614 15892 1 14 . 1 1 135 135 GLN CB C 147 29.444 29.444 27.970 1.474 17614 15893 1 14 . 1 1 135 135 GLN H H 147 8.072 8.072 7.518 0.554 17614 15894 1 14 . 1 1 136 136 ALA N N 148 125.199 125.199 128.075 -2.876 17614 15895 1 14 . 1 1 136 136 ALA C C 148 177.766 177.766 177.535 0.231 17614 15896 1 14 . 1 1 136 136 ALA CA C 148 53.108 53.108 52.442 0.666 17614 15897 1 14 . 1 1 136 136 ALA CB C 148 19.151 19.151 19.571 -0.420 17614 15898 1 14 . 1 1 136 136 ALA H H 148 8.055 8.055 8.183 -0.128 17614 15899 1 14 . 1 1 137 137 ARG N N 149 120.208 120.208 119.579 0.629 17614 15900 1 14 . 1 1 137 137 ARG CA C 149 56.414 56.414 55.471 0.943 17614 15901 1 14 . 1 1 137 137 ARG CB C 149 30.749 30.749 30.785 -0.036 17614 15902 1 14 . 1 1 137 137 ARG H H 149 8.018 8.018 7.985 0.033 17614 15903 1 14 . 1 1 147 147 THR C C 159 175.928 175.928 176.295 -0.367 17614 15904 1 14 . 1 1 148 148 VAL N N 160 118.321 118.321 121.237 -2.916 17614 15905 1 14 . 1 1 148 148 VAL C C 160 177.749 177.749 177.351 0.398 17614 15906 1 14 . 1 1 148 148 VAL CA C 160 64.126 64.126 65.427 -1.301 17614 15907 1 14 . 1 1 148 148 VAL CB C 160 31.343 31.343 31.181 0.162 17614 15908 1 14 . 1 1 148 148 VAL H H 160 8.073 8.073 8.154 -0.081 17614 15909 1 14 . 1 1 149 149 GLU N N 161 122.379 122.379 120.028 2.351 17614 15910 1 14 . 1 1 149 149 GLU C C 161 178.783 178.783 178.647 0.136 17614 15911 1 14 . 1 1 149 149 GLU CA C 161 59.550 59.550 59.516 0.034 17614 15912 1 14 . 1 1 149 149 GLU CB C 161 29.597 29.597 28.412 1.185 17614 15913 1 14 . 1 1 149 149 GLU H H 161 8.204 8.204 8.729 -0.525 17614 15914 1 14 . 1 1 150 150 ALA N N 162 122.845 122.845 123.185 -0.340 17614 15915 1 14 . 1 1 150 150 ALA C C 162 179.948 179.948 179.414 0.534 17614 15916 1 14 . 1 1 150 150 ALA CA C 162 55.181 55.181 54.959 0.222 17614 15917 1 14 . 1 1 150 150 ALA CB C 162 18.154 18.154 18.384 -0.230 17614 15918 1 14 . 1 1 150 150 ALA H H 162 7.786 7.786 8.127 -0.341 17614 15919 1 14 . 1 1 151 151 TYR N N 163 118.902 118.902 119.552 -0.650 17614 15920 1 14 . 1 1 151 151 TYR C C 163 177.273 177.273 177.925 -0.652 17614 15921 1 14 . 1 1 151 151 TYR CA C 163 61.068 61.068 61.816 -0.748 17614 15922 1 14 . 1 1 151 151 TYR CB C 163 37.898 37.898 38.707 -0.809 17614 15923 1 14 . 1 1 151 151 TYR H H 163 7.922 7.922 8.094 -0.172 17614 15924 1 14 . 1 1 152 152 LYS N N 164 119.939 119.939 118.216 1.723 17614 15925 1 14 . 1 1 152 152 LYS C C 164 178.239 178.239 178.997 -0.758 17614 15926 1 14 . 1 1 152 152 LYS CA C 164 60.309 60.309 59.550 0.759 17614 15927 1 14 . 1 1 152 152 LYS CB C 164 32.504 32.504 32.513 -0.009 17614 15928 1 14 . 1 1 152 152 LYS H H 164 8.223 8.223 7.712 0.511 17614 15929 1 14 . 1 1 153 153 THR N N 165 115.262 115.262 115.049 0.213 17614 15930 1 14 . 1 1 153 153 THR C C 165 175.676 175.676 176.200 -0.524 17614 15931 1 14 . 1 1 153 153 THR CA C 165 66.516 66.516 66.355 0.161 17614 15932 1 14 . 1 1 153 153 THR CB C 165 69.367 69.367 68.867 0.500 17614 15933 1 14 . 1 1 153 153 THR H H 165 7.745 7.745 8.211 -0.466 17614 15934 1 14 . 1 1 154 154 ILE N N 166 121.571 121.571 121.383 0.188 17614 15935 1 14 . 1 1 154 154 ILE C C 166 177.307 177.307 176.540 0.767 17614 15936 1 14 . 1 1 154 154 ILE CA C 166 64.634 64.634 64.353 0.281 17614 15937 1 14 . 1 1 154 154 ILE CB C 166 38.896 38.896 37.727 1.169 17614 15938 1 14 . 1 1 154 154 ILE H H 166 7.540 7.540 7.449 0.091 17614 15939 1 14 . 1 1 155 155 ALA N N 167 121.983 121.983 122.349 -0.366 17614 15940 1 14 . 1 1 155 155 ALA C C 167 178.395 178.395 179.898 -1.503 17614 15941 1 14 . 1 1 155 155 ALA CA C 167 54.656 54.656 54.723 -0.067 17614 15942 1 14 . 1 1 155 155 ALA CB C 167 18.486 18.486 17.921 0.565 17614 15943 1 14 . 1 1 155 155 ALA H H 167 8.059 8.059 7.632 0.427 17614 15944 1 14 . 1 1 156 156 ARG N N 168 116.369 116.369 119.326 -2.957 17614 15945 1 14 . 1 1 156 156 ARG C C 168 177.307 177.307 178.384 -1.077 17614 15946 1 14 . 1 1 156 156 ARG CA C 168 58.486 58.486 58.633 -0.146 17614 15947 1 14 . 1 1 156 156 ARG CB C 168 30.930 30.930 29.947 0.983 17614 15948 1 14 . 1 1 156 156 ARG H H 168 7.690 7.690 7.838 -0.148 17614 15949 1 14 . 1 1 157 157 GLU N N 169 118.667 118.667 117.937 0.730 17614 15950 1 14 . 1 1 157 157 GLU C C 169 177.696 177.696 178.475 -0.779 17614 15951 1 14 . 1 1 157 157 GLU CA C 169 58.212 58.212 58.450 -0.238 17614 15952 1 14 . 1 1 157 157 GLU CB C 169 30.357 30.357 30.000 0.357 17614 15953 1 14 . 1 1 157 157 GLU H H 169 8.045 8.045 7.747 0.298 17614 15954 1 14 . 1 1 158 158 GLU N N 170 118.202 118.202 117.713 0.489 17614 15955 1 14 . 1 1 158 158 GLU C C 170 177.878 177.878 177.098 0.780 17614 15956 1 14 . 1 1 158 158 GLU CA C 170 57.363 57.363 57.101 0.262 17614 15957 1 14 . 1 1 158 158 GLU CB C 170 31.277 31.277 30.982 0.295 17614 15958 1 14 . 1 1 158 158 GLU H H 170 8.550 8.550 8.302 0.248 17614 15959 1 14 . 1 1 159 159 GLY N N 171 108.941 108.941 107.127 1.814 17614 15960 1 14 . 1 1 159 159 GLY C C 171 174.433 174.433 174.650 -0.217 17614 15961 1 14 . 1 1 159 159 GLY CA C 171 45.193 45.193 44.754 0.439 17614 15962 1 14 . 1 1 159 159 GLY H H 171 7.881 7.881 7.656 0.225 17614 15963 1 14 . 1 1 160 160 ILE N N 172 120.842 120.842 117.561 3.281 17614 15964 1 14 . 1 1 160 160 ILE C C 172 176.997 176.997 177.061 -0.064 17614 15965 1 14 . 1 1 160 160 ILE CA C 172 63.810 63.810 63.523 0.287 17614 15966 1 14 . 1 1 160 160 ILE CB C 172 38.516 38.516 37.680 0.836 17614 15967 1 14 . 1 1 160 160 ILE H H 172 8.550 8.550 8.204 0.346 17614 15968 1 14 . 1 1 161 161 ARG N N 173 119.480 119.480 121.352 -1.872 17614 15969 1 14 . 1 1 161 161 ARG C C 173 178.084 178.084 178.380 -0.296 17614 15970 1 14 . 1 1 161 161 ARG CA C 173 58.711 58.711 58.618 0.093 17614 15971 1 14 . 1 1 161 161 ARG CB C 173 29.796 29.796 28.901 0.894 17614 15972 1 14 . 1 1 161 161 ARG H H 173 8.277 8.277 8.472 -0.195 17614 15973 1 14 . 1 1 162 162 GLY N N 174 106.379 106.379 106.371 0.008 17614 15974 1 14 . 1 1 162 162 GLY C C 174 175.210 175.210 176.162 -0.952 17614 15975 1 14 . 1 1 162 162 GLY CA C 174 46.767 46.767 46.683 0.084 17614 15976 1 14 . 1 1 162 162 GLY H H 174 7.690 7.690 7.868 -0.178 17614 15977 1 14 . 1 1 163 163 LEU N N 175 120.664 120.664 122.212 -1.548 17614 15978 1 14 . 1 1 163 163 LEU C C 175 177.971 177.971 178.607 -0.636 17614 15979 1 14 . 1 1 163 163 LEU CA C 175 57.104 57.104 57.259 -0.155 17614 15980 1 14 . 1 1 163 163 LEU CB C 175 42.559 42.559 42.263 0.296 17614 15981 1 14 . 1 1 163 163 LEU H H 175 7.554 7.554 7.256 0.298 17614 15982 1 14 . 1 1 164 164 TRP N N 176 117.031 117.031 118.197 -1.166 17614 15983 1 14 . 1 1 164 164 TRP C C 176 176.987 176.987 177.804 -0.817 17614 15984 1 14 . 1 1 164 164 TRP CA C 176 57.672 57.672 57.716 -0.044 17614 15985 1 14 . 1 1 164 164 TRP CB C 176 29.796 29.796 28.381 1.415 17614 15986 1 14 . 1 1 164 164 TRP H H 176 7.499 7.499 8.174 -0.675 17614 15987 1 14 . 1 1 165 165 LYS N N 177 120.567 120.567 119.865 0.702 17614 15988 1 14 . 1 1 165 165 LYS C C 177 177.152 177.152 178.195 -1.043 17614 15989 1 14 . 1 1 165 165 LYS CA C 177 57.712 57.712 59.209 -1.497 17614 15990 1 14 . 1 1 165 165 LYS CB C 177 32.890 32.890 32.197 0.693 17614 15991 1 14 . 1 1 165 165 LYS H H 177 7.595 7.595 7.461 0.134 17614 15992 1 14 . 1 1 166 166 GLY N N 178 108.667 108.667 104.383 4.284 17614 15993 1 14 . 1 1 166 166 GLY C C 178 174.045 174.045 175.573 -1.528 17614 15994 1 14 . 1 1 166 166 GLY CA C 178 45.893 45.893 45.851 0.042 17614 15995 1 14 . 1 1 166 166 GLY H H 178 7.881 7.881 8.068 -0.187 17614 15996 1 14 . 1 1 167 167 THR N N 179 115.080 115.080 116.852 -1.772 17614 15997 1 14 . 1 1 167 167 THR C C 179 175.192 175.192 176.615 -1.423 17614 15998 1 14 . 1 1 167 167 THR CA C 179 66.521 66.521 65.513 1.008 17614 15999 1 14 . 1 1 167 167 THR CB C 179 70.079 70.079 67.964 2.115 17614 16000 1 14 . 1 1 167 167 THR H H 179 7.622 7.622 7.686 -0.064 17614 16001 1 14 . 1 1 168 168 SER N N 180 117.754 117.754 116.332 1.422 17614 16002 1 14 . 1 1 168 168 SER CA C 180 63.123 63.123 62.809 0.315 17614 16003 1 14 . 1 1 168 168 SER CB C 180 62.045 62.045 62.167 -0.122 17614 16004 1 14 . 1 1 168 168 SER H H 180 8.195 8.195 7.867 0.328 17614 16005 1 14 . 1 1 170 170 ASN C C 182 177.348 177.348 177.974 -0.626 17614 16006 1 14 . 1 1 171 171 VAL N N 183 118.118 118.118 120.365 -2.247 17614 16007 1 14 . 1 1 171 171 VAL C C 183 176.944 176.944 177.592 -0.648 17614 16008 1 14 . 1 1 171 171 VAL CA C 183 65.244 65.244 66.554 -1.310 17614 16009 1 14 . 1 1 171 171 VAL CB C 183 32.508 32.508 31.167 1.341 17614 16010 1 14 . 1 1 171 171 VAL H H 183 7.861 7.861 7.709 0.152 17614 16011 1 14 . 1 1 172 172 ALA N N 184 122.284 122.284 121.901 0.383 17614 16012 1 14 . 1 1 172 172 ALA C C 184 178.317 178.317 179.384 -1.067 17614 16013 1 14 . 1 1 172 172 ALA CA C 184 55.339 55.339 55.325 0.014 17614 16014 1 14 . 1 1 172 172 ALA CB C 184 28.230 28.230 18.209 10.021 17614 16015 1 14 . 1 1 172 172 ALA H H 184 8.097 8.097 7.631 0.466 17614 16016 1 14 . 1 1 173 173 ARG N N 185 117.321 117.321 119.392 -2.071 17614 16017 1 14 . 1 1 173 173 ARG C C 185 177.527 177.527 178.127 -0.600 17614 16018 1 14 . 1 1 173 173 ARG CA C 185 59.543 59.543 59.135 0.408 17614 16019 1 14 . 1 1 173 173 ARG CB C 185 29.767 29.767 29.965 -0.198 17614 16020 1 14 . 1 1 173 173 ARG H H 185 7.611 7.611 8.127 -0.516 17614 16021 1 14 . 1 1 174 174 ASN N N 186 117.294 117.294 117.794 -0.500 17614 16022 1 14 . 1 1 174 174 ASN C C 186 176.599 176.599 177.360 -0.761 17614 16023 1 14 . 1 1 174 174 ASN CA C 186 56.659 56.659 56.550 0.109 17614 16024 1 14 . 1 1 174 174 ASN CB C 186 39.454 39.454 38.366 1.088 17614 16025 1 14 . 1 1 174 174 ASN H H 186 8.048 8.048 7.986 0.062 17614 16026 1 14 . 1 1 175 175 ALA N N 187 121.003 121.003 122.506 -1.503 17614 16027 1 14 . 1 1 175 175 ALA C C 187 178.713 178.713 179.669 -0.956 17614 16028 1 14 . 1 1 175 175 ALA CA C 187 55.520 55.520 54.932 0.588 17614 16029 1 14 . 1 1 175 175 ALA CB C 187 18.097 18.097 18.709 -0.612 17614 16030 1 14 . 1 1 175 175 ALA H H 187 7.322 7.322 7.591 -0.269 17614 16031 1 14 . 1 1 176 176 ILE N N 188 119.319 119.319 119.593 -0.274 17614 16032 1 14 . 1 1 176 176 ILE C C 188 176.634 176.634 178.092 -1.458 17614 16033 1 14 . 1 1 176 176 ILE CA C 188 64.225 64.225 65.516 -1.291 17614 16034 1 14 . 1 1 176 176 ILE CB C 188 37.658 37.658 37.851 -0.193 17614 16035 1 14 . 1 1 176 176 ILE H H 188 7.779 7.779 8.372 -0.593 17614 16036 1 14 . 1 1 177 177 VAL N N 189 117.265 117.265 119.942 -2.677 17614 16037 1 14 . 1 1 177 177 VAL C C 189 177.529 177.529 178.066 -0.537 17614 16038 1 14 . 1 1 177 177 VAL CA C 189 65.562 65.562 67.148 -1.586 17614 16039 1 14 . 1 1 177 177 VAL CB C 189 31.407 31.407 30.882 0.525 17614 16040 1 14 . 1 1 177 177 VAL H H 189 7.776 7.776 8.376 -0.600 17614 16041 1 14 . 1 1 178 178 ASN N N 190 118.736 118.736 118.107 0.629 17614 16042 1 14 . 1 1 178 178 ASN C C 190 176.476 176.476 177.476 -1.000 17614 16043 1 14 . 1 1 178 178 ASN CA C 190 56.813 56.813 56.536 0.277 17614 16044 1 14 . 1 1 178 178 ASN CB C 190 38.268 38.268 38.474 -0.206 17614 16045 1 14 . 1 1 178 178 ASN H H 190 7.800 7.800 7.874 -0.074 17614 16046 1 14 . 1 1 179 179 CYS N N 191 120.152 120.152 119.069 1.083 17614 16047 1 14 . 1 1 179 179 CYS C C 191 175.831 175.831 176.742 -0.911 17614 16048 1 14 . 1 1 179 179 CYS CA C 191 60.293 60.293 62.521 -2.228 17614 16049 1 14 . 1 1 179 179 CYS CB C 191 41.566 41.566 26.492 15.074 17614 16050 1 14 . 1 1 179 179 CYS H H 191 7.784 7.784 8.303 -0.519 17614 16051 1 14 . 1 1 180 180 ALA N N 192 121.963 121.963 122.044 -0.081 17614 16052 1 14 . 1 1 180 180 ALA C C 192 178.395 178.395 179.013 -0.618 17614 16053 1 14 . 1 1 180 180 ALA CA C 192 55.280 55.280 55.294 -0.014 17614 16054 1 14 . 1 1 180 180 ALA CB C 192 18.008 18.008 18.201 -0.193 17614 16055 1 14 . 1 1 180 180 ALA H H 192 8.141 8.141 8.673 -0.532 17614 16056 1 14 . 1 1 181 181 GLU N N 193 114.548 114.548 119.565 -5.017 17614 16057 1 14 . 1 1 181 181 GLU C C 193 176.764 176.764 178.500 -1.736 17614 16058 1 14 . 1 1 181 181 GLU CA C 193 58.262 58.262 58.906 -0.643 17614 16059 1 14 . 1 1 181 181 GLU CB C 193 29.342 29.342 28.989 0.353 17614 16060 1 14 . 1 1 181 181 GLU H H 193 7.595 7.595 8.355 -0.760 17614 16061 1 14 . 1 1 182 182 LEU N N 194 117.659 117.659 120.859 -3.200 17614 16062 1 14 . 1 1 182 182 LEU C C 194 176.904 176.904 178.464 -1.560 17614 16063 1 14 . 1 1 182 182 LEU CA C 194 55.695 55.695 57.662 -1.967 17614 16064 1 14 . 1 1 182 182 LEU CB C 194 41.655 41.655 41.702 -0.047 17614 16065 1 14 . 1 1 182 182 LEU H H 194 7.459 7.459 7.538 -0.079 17614 16066 1 14 . 1 1 183 183 VAL N N 195 117.842 117.842 118.140 -0.298 17614 16067 1 14 . 1 1 183 183 VAL C C 195 177.150 177.150 178.219 -1.069 17614 16068 1 14 . 1 1 183 183 VAL CA C 195 64.054 64.054 66.597 -2.543 17614 16069 1 14 . 1 1 183 183 VAL CB C 195 31.079 31.079 31.587 -0.508 17614 16070 1 14 . 1 1 183 183 VAL H H 195 7.363 7.363 7.347 0.016 17614 16071 1 14 . 1 1 184 184 THR N N 196 122.439 122.439 114.898 7.541 17614 16072 1 14 . 1 1 184 184 THR C C 196 175.055 175.055 176.317 -1.262 17614 16073 1 14 . 1 1 184 184 THR CA C 196 65.500 65.500 66.107 -0.607 17614 16074 1 14 . 1 1 184 184 THR CB C 196 69.490 69.490 68.984 0.506 17614 16075 1 14 . 1 1 184 184 THR H H 196 7.940 7.940 7.545 0.395 17614 16076 1 14 . 1 1 185 185 TYR N N 197 122.430 122.430 121.636 0.794 17614 16077 1 14 . 1 1 185 185 TYR C C 197 177.152 177.152 177.337 -0.185 17614 16078 1 14 . 1 1 185 185 TYR CA C 197 61.892 61.892 61.885 0.007 17614 16079 1 14 . 1 1 185 185 TYR CB C 197 38.085 38.085 38.419 -0.334 17614 16080 1 14 . 1 1 185 185 TYR H H 197 9.123 9.123 8.309 0.814 17614 16081 1 14 . 1 1 186 186 ASP N N 198 117.750 117.750 118.147 -0.397 17614 16082 1 14 . 1 1 186 186 ASP C C 198 177.696 177.696 178.279 -0.583 17614 16083 1 14 . 1 1 186 186 ASP CA C 198 57.822 57.822 57.298 0.524 17614 16084 1 14 . 1 1 186 186 ASP CB C 198 40.500 40.500 40.296 0.204 17614 16085 1 14 . 1 1 186 186 ASP H H 198 8.263 8.263 7.789 0.474 17614 16086 1 14 . 1 1 187 187 LEU N N 199 120.698 120.698 118.533 2.165 17614 16087 1 14 . 1 1 187 187 LEU C C 199 180.104 180.104 178.991 1.113 17614 16088 1 14 . 1 1 187 187 LEU CA C 199 58.092 58.092 57.121 0.971 17614 16089 1 14 . 1 1 187 187 LEU CB C 199 42.559 42.559 41.083 1.476 17614 16090 1 14 . 1 1 187 187 LEU H H 199 7.636 7.636 7.588 0.048 17614 16091 1 14 . 1 1 188 188 ILE N N 200 121.136 121.136 114.888 6.248 17614 16092 1 14 . 1 1 188 188 ILE C C 200 176.919 176.919 177.943 -1.024 17614 16093 1 14 . 1 1 188 188 ILE CA C 200 65.482 65.482 64.236 1.246 17614 16094 1 14 . 1 1 188 188 ILE CB C 200 37.949 37.949 37.211 0.738 17614 16095 1 14 . 1 1 188 188 ILE H H 200 7.718 7.718 7.221 0.497 17614 16096 1 14 . 1 1 189 189 LYS N N 201 120.587 120.587 119.498 1.089 17614 16097 1 14 . 1 1 189 189 LYS C C 201 177.696 177.696 178.638 -0.942 17614 16098 1 14 . 1 1 189 189 LYS CA C 201 60.683 60.683 58.931 1.752 17614 16099 1 14 . 1 1 189 189 LYS CB C 201 31.809 31.809 32.036 -0.227 17614 16100 1 14 . 1 1 189 189 LYS H H 201 8.291 8.291 7.398 0.893 17614 16101 1 14 . 1 1 190 190 ASP N N 202 117.936 117.936 117.333 0.603 17614 16102 1 14 . 1 1 190 190 ASP C C 202 178.395 178.395 176.747 1.648 17614 16103 1 14 . 1 1 190 190 ASP CA C 202 57.672 57.672 56.132 1.540 17614 16104 1 14 . 1 1 190 190 ASP CB C 202 41.355 41.355 41.153 0.202 17614 16105 1 14 . 1 1 190 190 ASP H H 202 8.182 8.182 7.788 0.394 17614 16106 1 14 . 1 1 191 191 THR N N 203 115.914 115.914 114.509 1.405 17614 16107 1 14 . 1 1 191 191 THR CA C 203 61.190 61.190 61.925 -0.735 17614 16108 1 14 . 1 1 191 191 THR CB C 203 68.738 68.738 69.768 -1.030 17614 16109 1 14 . 1 1 191 191 THR H H 203 7.690 7.690 7.359 0.331 17614 16110 1 14 . 1 1 192 192 LEU C C 204 176.047 176.047 175.709 0.338 17614 16111 1 14 . 1 1 192 192 LEU H H 204 8.051 8.051 8.864 -0.813 17614 16112 1 14 . 1 1 193 193 LEU N N 205 118.768 118.768 118.369 0.399 17614 16113 1 14 . 1 1 193 193 LEU C C 205 179.871 179.871 175.660 4.211 17614 16114 1 14 . 1 1 193 193 LEU CA C 205 55.867 55.867 54.292 1.575 17614 16115 1 14 . 1 1 193 193 LEU CB C 205 41.887 41.887 41.366 0.521 17614 16116 1 14 . 1 1 193 193 LEU H H 205 7.977 7.977 7.827 0.150 17614 16117 1 14 . 1 1 194 194 LYS N N 206 119.775 119.775 118.290 1.485 17614 16118 1 14 . 1 1 194 194 LYS C C 206 177.318 177.318 177.213 0.105 17614 16119 1 14 . 1 1 194 194 LYS CA C 206 58.461 58.461 55.565 2.896 17614 16120 1 14 . 1 1 194 194 LYS CB C 206 32.734 32.734 33.337 -0.603 17614 16121 1 14 . 1 1 194 194 LYS H H 206 7.677 7.677 7.370 0.307 17614 16122 1 14 . 1 1 195 195 ALA N N 207 120.757 120.757 121.631 -0.874 17614 16123 1 14 . 1 1 195 195 ALA C C 207 176.531 176.531 176.599 -0.068 17614 16124 1 14 . 1 1 195 195 ALA CA C 207 53.083 53.083 54.564 -1.481 17614 16125 1 14 . 1 1 195 195 ALA CB C 207 18.960 18.960 17.859 1.101 17614 16126 1 14 . 1 1 195 195 ALA H H 207 7.565 7.565 8.858 -1.293 17614 16127 1 14 . 1 1 196 196 ASN N N 208 115.463 115.463 112.677 2.786 17614 16128 1 14 . 1 1 196 196 ASN C C 208 174.822 174.822 174.823 -0.001 17614 16129 1 14 . 1 1 196 196 ASN CA C 208 54.351 54.351 52.546 1.805 17614 16130 1 14 . 1 1 196 196 ASN CB C 208 38.160 38.160 38.802 -0.642 17614 16131 1 14 . 1 1 196 196 ASN H H 208 7.936 7.936 8.451 -0.515 17614 16132 1 14 . 1 1 200 200 ASP C C 212 174.735 174.735 175.593 -0.858 17614 16133 1 14 . 1 1 201 201 ASP N N 213 116.363 116.363 123.854 -7.491 17614 16134 1 14 . 1 1 201 201 ASP C C 213 175.553 175.553 177.090 -1.537 17614 16135 1 14 . 1 1 201 201 ASP CA C 213 54.890 54.890 54.436 0.454 17614 16136 1 14 . 1 1 201 201 ASP CB C 213 38.846 38.846 39.128 -0.282 17614 16137 1 14 . 1 1 201 201 ASP H H 213 8.129 8.129 8.665 -0.536 17614 16138 1 14 . 1 1 202 202 LEU N N 214 119.486 119.486 122.447 -2.961 17614 16139 1 14 . 1 1 202 202 LEU CA C 214 59.766 59.766 59.366 0.400 17614 16140 1 14 . 1 1 202 202 LEU CB C 214 39.579 39.579 39.665 -0.086 17614 16141 1 14 . 1 1 202 202 LEU H H 214 7.821 7.821 8.107 -0.286 17614 16142 1 14 . 1 1 203 203 PRO C C 215 177.971 177.971 178.514 -0.543 17614 16143 1 14 . 1 1 203 203 PRO CA C 215 65.938 65.938 65.694 0.245 17614 16144 1 14 . 1 1 203 203 PRO CB C 215 30.006 30.006 30.912 -0.906 17614 16145 1 14 . 1 1 204 204 CYS N N 216 114.211 114.211 117.119 -2.908 17614 16146 1 14 . 1 1 204 204 CYS C C 216 176.142 176.142 177.246 -1.104 17614 16147 1 14 . 1 1 204 204 CYS CA C 216 58.773 58.773 62.230 -3.457 17614 16148 1 14 . 1 1 204 204 CYS CB C 216 40.906 40.906 26.601 14.305 17614 16149 1 14 . 1 1 204 204 CYS H H 216 8.269 8.269 8.337 -0.068 17614 16150 1 14 . 1 1 205 205 HIS N N 217 120.491 120.491 119.680 0.811 17614 16151 1 14 . 1 1 205 205 HIS C C 217 176.747 176.747 177.240 -0.493 17614 16152 1 14 . 1 1 205 205 HIS CA C 217 57.198 57.198 59.109 -1.911 17614 16153 1 14 . 1 1 205 205 HIS CB C 217 29.886 29.886 29.088 0.798 17614 16154 1 14 . 1 1 205 205 HIS H H 217 7.301 7.301 7.631 -0.330 17614 16155 1 14 . 1 1 206 206 PHE N N 218 120.501 120.501 120.109 0.392 17614 16156 1 14 . 1 1 206 206 PHE C C 218 176.187 176.187 177.641 -1.454 17614 16157 1 14 . 1 1 206 206 PHE CA C 218 59.045 59.045 62.003 -2.958 17614 16158 1 14 . 1 1 206 206 PHE CB C 218 38.901 38.901 38.499 0.402 17614 16159 1 14 . 1 1 206 206 PHE H H 218 8.127 8.127 7.224 0.903 17614 16160 1 14 . 1 1 207 207 THR N N 219 112.682 112.682 115.327 -2.645 17614 16161 1 14 . 1 1 207 207 THR C C 219 175.997 175.997 176.796 -0.799 17614 16162 1 14 . 1 1 207 207 THR CA C 219 64.319 64.319 66.928 -2.609 17614 16163 1 14 . 1 1 207 207 THR CB C 219 63.282 63.282 68.292 -5.010 17614 16164 1 14 . 1 1 207 207 THR H H 219 7.977 7.977 7.817 0.160 17614 16165 1 14 . 1 1 208 208 SER N N 220 117.589 117.589 117.326 0.263 17614 16166 1 14 . 1 1 208 208 SER C C 220 175.055 175.055 176.418 -1.363 17614 16167 1 14 . 1 1 208 208 SER CA C 220 61.344 61.344 61.861 -0.516 17614 16168 1 14 . 1 1 208 208 SER CB C 220 63.440 63.440 62.790 0.650 17614 16169 1 14 . 1 1 208 208 SER H H 220 8.004 8.004 7.673 0.331 17614 16170 1 14 . 1 1 209 209 ALA N N 221 123.860 123.860 124.319 -0.459 17614 16171 1 14 . 1 1 209 209 ALA C C 221 177.618 177.618 179.585 -1.967 17614 16172 1 14 . 1 1 209 209 ALA CA C 221 53.932 53.932 54.975 -1.043 17614 16173 1 14 . 1 1 209 209 ALA CB C 221 18.891 18.891 18.237 0.654 17614 16174 1 14 . 1 1 209 209 ALA H H 221 7.704 7.704 7.601 0.103 17614 16175 1 14 . 1 1 210 210 PHE N N 222 116.073 116.073 120.399 -4.326 17614 16176 1 14 . 1 1 210 210 PHE C C 222 176.142 176.142 177.522 -1.380 17614 16177 1 14 . 1 1 210 210 PHE CA C 222 58.271 58.271 61.623 -3.352 17614 16178 1 14 . 1 1 210 210 PHE CB C 222 39.554 39.554 39.125 0.429 17614 16179 1 14 . 1 1 210 210 PHE H H 222 7.718 7.718 8.200 -0.482 17614 16180 1 14 . 1 1 211 211 GLY N N 223 108.578 108.578 106.434 2.144 17614 16181 1 14 . 1 1 211 211 GLY C C 223 173.889 173.889 175.504 -1.615 17614 16182 1 14 . 1 1 211 211 GLY CA C 223 45.993 45.993 47.063 -1.070 17614 16183 1 14 . 1 1 211 211 GLY H H 223 7.909 7.909 8.135 -0.226 17614 16184 1 14 . 1 1 212 212 ALA N N 224 123.322 123.322 124.500 -1.178 17614 16185 1 14 . 1 1 212 212 ALA C C 224 178.550 178.550 179.791 -1.241 17614 16186 1 14 . 1 1 212 212 ALA CA C 224 53.608 53.608 54.739 -1.131 17614 16187 1 14 . 1 1 212 212 ALA CB C 224 19.069 19.069 18.277 0.792 17614 16188 1 14 . 1 1 212 212 ALA H H 224 8.018 8.018 7.901 0.117 17614 16189 1 14 . 1 1 213 213 GLY N N 225 107.935 107.935 107.608 0.327 17614 16190 1 14 . 1 1 213 213 GLY C C 225 175.389 175.389 175.562 -0.173 17614 16191 1 14 . 1 1 213 213 GLY CA C 225 46.967 46.967 46.756 0.211 17614 16192 1 14 . 1 1 213 213 GLY H H 225 8.304 8.304 8.603 -0.299 17614 16193 1 14 . 1 1 214 214 PHE N N 226 122.440 122.440 122.858 -0.418 17614 16194 1 14 . 1 1 214 214 PHE C C 226 176.998 176.998 177.072 -0.074 17614 16195 1 14 . 1 1 214 214 PHE CA C 226 60.673 60.673 60.799 -0.126 17614 16196 1 14 . 1 1 214 214 PHE CB C 226 38.319 38.319 39.347 -1.028 17614 16197 1 14 . 1 1 214 214 PHE H H 226 8.045 8.045 8.072 -0.027 17614 16198 1 14 . 1 1 215 215 CYS N N 227 116.562 116.562 117.347 -0.785 17614 16199 1 14 . 1 1 215 215 CYS CA C 227 61.301 61.301 62.830 -1.529 17614 16200 1 14 . 1 1 215 215 CYS CB C 227 41.286 41.286 27.276 14.010 17614 16201 1 14 . 1 1 215 215 CYS H H 227 8.016 8.016 7.807 0.209 17614 16202 1 14 . 1 1 216 216 THR C C 228 176.437 176.437 176.213 0.224 17614 16203 1 14 . 1 1 216 216 THR H H 228 8.410 8.410 8.389 0.021 17614 16204 1 14 . 1 1 217 217 THR N N 229 115.234 115.234 116.601 -1.367 17614 16205 1 14 . 1 1 217 217 THR C C 229 176.749 176.749 176.187 0.562 17614 16206 1 14 . 1 1 217 217 THR CA C 229 65.980 65.980 66.513 -0.533 17614 16207 1 14 . 1 1 217 217 THR CB C 229 67.443 67.443 67.926 -0.483 17614 16208 1 14 . 1 1 217 217 THR H H 229 8.188 8.188 7.929 0.259 17614 16209 1 14 . 1 1 218 218 VAL N N 230 120.723 120.723 121.101 -0.378 17614 16210 1 14 . 1 1 218 218 VAL C C 230 177.983 177.983 177.305 0.678 17614 16211 1 14 . 1 1 218 218 VAL CA C 230 66.832 66.832 65.404 1.428 17614 16212 1 14 . 1 1 218 218 VAL CB C 230 31.168 31.168 31.197 -0.029 17614 16213 1 14 . 1 1 218 218 VAL H H 230 8.027 8.027 7.292 0.735 17614 16214 1 14 . 1 1 219 219 ILE N N 231 120.541 120.541 118.206 2.335 17614 16215 1 14 . 1 1 219 219 ILE C C 231 177.368 177.368 176.837 0.531 17614 16216 1 14 . 1 1 219 219 ILE CA C 231 65.575 65.575 62.824 2.751 17614 16217 1 14 . 1 1 219 219 ILE CB C 231 37.722 37.722 38.125 -0.403 17614 16218 1 14 . 1 1 219 219 ILE H H 231 8.458 8.458 7.250 1.208 17614 16219 1 14 . 1 1 220 220 ALA N N 232 122.766 122.766 121.558 1.208 17614 16220 1 14 . 1 1 220 220 ALA C C 232 178.847 178.847 179.852 -1.005 17614 16221 1 14 . 1 1 220 220 ALA CA C 232 55.252 55.252 55.016 0.236 17614 16222 1 14 . 1 1 220 220 ALA CB C 232 17.874 17.874 18.162 -0.288 17614 16223 1 14 . 1 1 220 220 ALA H H 232 8.589 8.589 7.723 0.866 17614 16224 1 14 . 1 1 221 221 SER N N 233 113.387 113.387 113.984 -0.597 17614 16225 1 14 . 1 1 221 221 SER CA C 233 62.348 62.348 63.682 -1.334 17614 16226 1 14 . 1 1 221 221 SER CB C 233 61.630 61.630 61.263 0.367 17614 16227 1 14 . 1 1 221 221 SER H H 233 8.218 8.218 8.423 -0.205 17614 16228 1 14 . 1 1 222 222 PRO C C 234 178.221 178.221 178.689 -0.468 17614 16229 1 14 . 1 1 223 223 VAL N N 235 116.087 116.087 114.831 1.256 17614 16230 1 14 . 1 1 223 223 VAL C C 235 177.089 177.089 177.567 -0.478 17614 16231 1 14 . 1 1 223 223 VAL CA C 235 65.072 65.072 65.533 -0.461 17614 16232 1 14 . 1 1 223 223 VAL CB C 235 31.084 31.084 31.389 -0.305 17614 16233 1 14 . 1 1 223 223 VAL H H 235 8.142 8.142 7.338 0.804 17614 16234 1 14 . 1 1 224 224 ASP N N 236 121.556 121.556 120.377 1.179 17614 16235 1 14 . 1 1 224 224 ASP C C 236 177.422 177.422 178.377 -0.955 17614 16236 1 14 . 1 1 224 224 ASP CA C 236 57.135 57.135 57.410 -0.275 17614 16237 1 14 . 1 1 224 224 ASP CB C 236 40.065 40.065 41.291 -1.226 17614 16238 1 14 . 1 1 224 224 ASP H H 236 7.932 7.932 7.480 0.452 17614 16239 1 14 . 1 1 225 225 VAL N N 237 117.233 117.233 117.400 -0.167 17614 16240 1 14 . 1 1 225 225 VAL CA C 237 64.977 64.977 65.243 -0.266 17614 16241 1 14 . 1 1 225 225 VAL CB C 237 31.013 31.013 30.695 0.318 17614 16242 1 14 . 1 1 225 225 VAL H H 237 7.710 7.710 7.625 0.085 17614 16243 1 14 . 1 1 226 226 VAL C C 238 177.584 177.584 178.169 -0.585 17614 16244 1 14 . 1 1 226 226 VAL H H 238 7.607 7.607 7.458 0.149 17614 16245 1 14 . 1 1 227 227 LYS N N 239 120.095 120.095 119.481 0.614 17614 16246 1 14 . 1 1 227 227 LYS C C 239 178.678 178.678 178.387 0.291 17614 16247 1 14 . 1 1 227 227 LYS CA C 239 58.483 58.483 58.999 -0.516 17614 16248 1 14 . 1 1 227 227 LYS CB C 239 31.863 31.863 31.864 -0.001 17614 16249 1 14 . 1 1 227 227 LYS H H 239 7.761 7.761 7.606 0.155 17614 16250 1 14 . 1 1 228 228 THR N N 240 115.247 115.247 112.062 3.185 17614 16251 1 14 . 1 1 228 228 THR C C 240 175.093 175.093 175.858 -0.765 17614 16252 1 14 . 1 1 228 228 THR CA C 240 66.458 66.458 63.617 2.841 17614 16253 1 14 . 1 1 228 228 THR CB C 240 68.011 68.011 69.002 -0.992 17614 16254 1 14 . 1 1 228 228 THR H H 240 7.761 7.761 7.484 0.277 17614 16255 1 14 . 1 1 229 229 ARG N N 241 119.633 119.633 123.111 -3.478 17614 16256 1 14 . 1 1 229 229 ARG CA C 241 57.133 57.133 57.600 -0.467 17614 16257 1 14 . 1 1 229 229 ARG CB C 241 31.218 31.218 30.617 0.601 17614 16258 1 14 . 1 1 229 229 ARG H H 241 7.383 7.383 7.590 -0.207 17614 16259 1 14 . 1 1 230 230 TYR C C 242 174.956 174.956 173.508 1.448 17614 16260 1 14 . 1 1 230 230 TYR H H 242 8.699 8.699 8.511 0.188 17614 16261 1 14 . 1 1 231 231 MET N N 243 118.458 118.458 118.772 -0.314 17614 16262 1 14 . 1 1 231 231 MET C C 243 175.676 175.676 174.889 0.787 17614 16263 1 14 . 1 1 231 231 MET CA C 243 54.417 54.417 55.232 -0.815 17614 16264 1 14 . 1 1 231 231 MET H H 243 7.442 7.442 8.221 -0.779 17614 16265 1 14 . 1 1 232 232 ASN N N 244 116.369 116.369 118.010 -1.641 17614 16266 1 14 . 1 1 232 232 ASN C C 244 174.919 174.919 174.969 -0.050 17614 16267 1 14 . 1 1 232 232 ASN CA C 244 59.470 59.470 53.499 5.971 17614 16268 1 14 . 1 1 232 232 ASN CB C 244 39.079 39.079 38.381 0.698 17614 16269 1 14 . 1 1 232 232 ASN H H 244 7.772 7.772 7.937 -0.165 17614 16270 1 14 . 1 1 233 233 SER N N 245 114.568 114.568 119.190 -4.622 17614 16271 1 14 . 1 1 233 233 SER C C 245 175.695 175.695 174.695 1.000 17614 16272 1 14 . 1 1 233 233 SER CA C 245 53.852 53.852 58.488 -4.636 17614 16273 1 14 . 1 1 233 233 SER CB C 245 61.232 61.232 63.811 -2.579 17614 16274 1 14 . 1 1 233 233 SER H H 245 8.475 8.475 8.302 0.173 17614 16275 1 14 . 1 1 234 234 ALA N N 246 127.283 127.283 122.662 4.621 17614 16276 1 14 . 1 1 234 234 ALA C C 246 177.128 177.128 177.161 -0.033 17614 16277 1 14 . 1 1 234 234 ALA CA C 246 56.803 56.803 52.496 4.307 17614 16278 1 14 . 1 1 234 234 ALA CB C 246 18.901 18.901 18.782 0.119 17614 16279 1 14 . 1 1 234 234 ALA H H 246 7.929 7.929 8.232 -0.302 17614 16280 1 14 . 1 1 235 235 LEU N N 247 118.112 118.112 124.439 -6.327 17614 16281 1 14 . 1 1 235 235 LEU C C 247 176.723 176.723 178.914 -2.191 17614 16282 1 14 . 1 1 235 235 LEU CA C 247 54.156 54.156 56.243 -2.087 17614 16283 1 14 . 1 1 235 235 LEU CB C 247 41.215 41.215 41.771 -0.556 17614 16284 1 14 . 1 1 235 235 LEU H H 247 7.922 7.922 8.539 -0.617 17614 16285 1 14 . 1 1 236 236 GLY N N 248 107.203 107.203 106.618 0.585 17614 16286 1 14 . 1 1 236 236 GLY CA C 248 44.558 44.558 45.108 -0.550 17614 16287 1 14 . 1 1 236 236 GLY H H 248 8.318 8.318 8.161 0.157 17614 16288 1 14 . 1 1 238 238 TYR C C 250 175.942 175.942 174.343 1.599 17614 16289 1 14 . 1 1 238 238 TYR H H 250 8.134 8.134 7.886 0.248 17614 16290 1 14 . 1 1 239 239 HIS N N 251 123.281 123.281 120.310 2.971 17614 16291 1 14 . 1 1 239 239 HIS C C 251 174.531 174.531 174.388 0.143 17614 16292 1 14 . 1 1 239 239 HIS CA C 251 58.931 58.931 57.831 1.100 17614 16293 1 14 . 1 1 239 239 HIS CB C 251 29.525 29.525 30.371 -0.846 17614 16294 1 14 . 1 1 239 239 HIS H H 251 8.184 8.184 8.487 -0.303 17614 16295 1 14 . 1 1 240 240 SER N N 252 110.038 110.038 109.851 0.187 17614 16296 1 14 . 1 1 240 240 SER C C 252 174.429 174.429 174.255 0.174 17614 16297 1 14 . 1 1 240 240 SER CA C 252 57.452 57.452 56.860 0.592 17614 16298 1 14 . 1 1 240 240 SER CB C 252 65.022 65.022 64.951 0.071 17614 16299 1 14 . 1 1 240 240 SER H H 252 8.010 8.010 7.627 0.383 17614 16300 1 14 . 1 1 241 241 ALA N N 253 123.034 123.034 124.627 -1.593 17614 16301 1 14 . 1 1 241 241 ALA C C 253 179.249 179.249 180.095 -0.846 17614 16302 1 14 . 1 1 241 241 ALA CA C 253 54.981 54.981 54.933 0.048 17614 16303 1 14 . 1 1 241 241 ALA CB C 253 19.069 19.069 18.929 0.140 17614 16304 1 14 . 1 1 241 241 ALA H H 253 8.034 8.034 8.804 -0.770 17614 16305 1 14 . 1 1 242 242 GLY N N 254 106.379 106.379 106.647 -0.268 17614 16306 1 14 . 1 1 242 242 GLY C C 254 174.433 174.433 175.702 -1.269 17614 16307 1 14 . 1 1 242 242 GLY CA C 254 47.615 47.615 46.964 0.651 17614 16308 1 14 . 1 1 242 242 GLY H H 254 8.427 8.427 8.645 -0.218 17614 16309 1 14 . 1 1 243 243 HIS N N 255 121.119 121.119 121.754 -0.635 17614 16310 1 14 . 1 1 243 243 HIS C C 255 178.084 178.084 176.977 1.107 17614 16311 1 14 . 1 1 243 243 HIS CA C 255 60.144 60.144 59.262 0.882 17614 16312 1 14 . 1 1 243 243 HIS CB C 255 33.073 33.073 29.922 3.151 17614 16313 1 14 . 1 1 243 243 HIS H H 255 8.304 8.304 7.837 0.467 17614 16314 1 14 . 1 1 244 244 CYS N N 256 117.946 117.946 119.091 -1.145 17614 16315 1 14 . 1 1 244 244 CYS C C 256 175.453 175.453 176.797 -1.344 17614 16316 1 14 . 1 1 244 244 CYS CA C 256 58.668 58.668 62.322 -3.654 17614 16317 1 14 . 1 1 244 244 CYS CB C 256 41.434 41.434 26.366 15.069 17614 16318 1 14 . 1 1 244 244 CYS H H 256 8.168 8.168 8.101 0.067 17614 16319 1 14 . 1 1 245 245 ALA N N 257 123.138 123.138 122.129 1.009 17614 16320 1 14 . 1 1 245 245 ALA C C 257 179.489 179.489 179.973 -0.484 17614 16321 1 14 . 1 1 245 245 ALA CA C 257 54.589 54.589 55.152 -0.563 17614 16322 1 14 . 1 1 245 245 ALA CB C 257 17.675 17.675 18.259 -0.584 17614 16323 1 14 . 1 1 245 245 ALA H H 257 7.932 7.932 7.378 0.554 17614 16324 1 14 . 1 1 246 246 LEU N N 258 119.779 119.779 117.964 1.815 17614 16325 1 14 . 1 1 246 246 LEU C C 258 178.234 178.234 179.153 -0.919 17614 16326 1 14 . 1 1 246 246 LEU CA C 258 56.967 56.967 57.925 -0.958 17614 16327 1 14 . 1 1 246 246 LEU CB C 258 41.067 41.067 42.039 -0.972 17614 16328 1 14 . 1 1 246 246 LEU H H 258 7.681 7.681 7.952 -0.271 17614 16329 1 14 . 1 1 247 247 THR N N 259 114.552 114.552 113.424 1.128 17614 16330 1 14 . 1 1 247 247 THR C C 259 176.244 176.244 176.716 -0.472 17614 16331 1 14 . 1 1 247 247 THR CA C 259 66.511 66.511 65.866 0.645 17614 16332 1 14 . 1 1 247 247 THR CB C 259 67.274 67.274 68.685 -1.411 17614 16333 1 14 . 1 1 247 247 THR H H 259 7.855 7.855 8.239 -0.384 17614 16334 1 14 . 1 1 248 248 MET N N 260 118.862 118.862 120.502 -1.640 17614 16335 1 14 . 1 1 248 248 MET C C 260 177.094 177.094 177.621 -0.527 17614 16336 1 14 . 1 1 248 248 MET CA C 260 58.532 58.532 58.316 0.217 17614 16337 1 14 . 1 1 248 248 MET CB C 260 32.288 32.288 32.015 0.273 17614 16338 1 14 . 1 1 248 248 MET H H 260 8.296 8.296 8.158 0.138 17614 16339 1 14 . 1 1 249 249 LEU N N 261 116.839 116.839 118.861 -2.022 17614 16340 1 14 . 1 1 249 249 LEU C C 261 178.162 178.162 179.087 -0.925 17614 16341 1 14 . 1 1 249 249 LEU CA C 261 58.167 58.167 57.424 0.743 17614 16342 1 14 . 1 1 249 249 LEU CB C 261 42.202 42.202 42.022 0.180 17614 16343 1 14 . 1 1 249 249 LEU H H 261 8.053 8.053 7.520 0.533 17614 16344 1 14 . 1 1 250 250 ARG N N 262 116.821 116.821 117.807 -0.986 17614 16345 1 14 . 1 1 250 250 ARG CA C 262 58.761 58.761 58.152 0.609 17614 16346 1 14 . 1 1 250 250 ARG CB C 262 30.825 30.825 30.979 -0.154 17614 16347 1 14 . 1 1 250 250 ARG H H 262 7.827 7.827 7.824 0.003 17614 16348 1 14 . 1 1 254 254 PRO C C 266 177.152 177.152 178.185 -1.033 17614 16349 1 14 . 1 1 254 254 PRO CA C 266 65.152 65.152 64.317 0.836 17614 16350 1 14 . 1 1 255 255 ARG N N 267 117.739 117.739 117.760 -0.021 17614 16351 1 14 . 1 1 255 255 ARG C C 267 177.463 177.463 177.716 -0.253 17614 16352 1 14 . 1 1 255 255 ARG CA C 267 59.335 59.335 58.345 0.990 17614 16353 1 14 . 1 1 255 255 ARG CB C 267 30.185 30.185 28.777 1.408 17614 16354 1 14 . 1 1 255 255 ARG H H 267 8.072 8.072 7.978 0.094 17614 16355 1 14 . 1 1 256 256 ALA N N 268 121.709 121.709 121.869 -0.160 17614 16356 1 14 . 1 1 256 256 ALA C C 268 179.251 179.251 178.769 0.482 17614 16357 1 14 . 1 1 256 256 ALA CA C 268 54.631 54.631 54.474 0.157 17614 16358 1 14 . 1 1 256 256 ALA CB C 268 18.683 18.683 18.014 0.669 17614 16359 1 14 . 1 1 256 256 ALA H H 268 7.963 7.963 7.791 0.172 17614 16360 1 14 . 1 1 257 257 PHE N N 269 117.096 117.096 116.876 0.220 17614 16361 1 14 . 1 1 257 257 PHE C C 269 175.987 175.987 177.677 -1.690 17614 16362 1 14 . 1 1 257 257 PHE CA C 269 61.037 61.037 61.114 -0.076 17614 16363 1 14 . 1 1 257 257 PHE CB C 269 38.637 38.637 38.803 -0.166 17614 16364 1 14 . 1 1 257 257 PHE H H 269 7.832 7.832 7.673 0.159 17614 16365 1 14 . 1 1 258 258 TYR N N 270 118.496 118.496 117.814 0.682 17614 16366 1 14 . 1 1 258 258 TYR C C 270 176.250 176.250 176.548 -0.298 17614 16367 1 14 . 1 1 258 258 TYR CA C 270 60.116 60.116 60.255 -0.139 17614 16368 1 14 . 1 1 258 258 TYR CB C 270 38.882 38.882 38.471 0.411 17614 16369 1 14 . 1 1 258 258 TYR H H 270 7.813 7.813 7.735 0.078 17614 16370 1 14 . 1 1 259 259 LYS N N 271 119.458 119.458 119.666 -0.208 17614 16371 1 14 . 1 1 259 259 LYS C C 271 177.696 177.696 176.939 0.757 17614 16372 1 14 . 1 1 259 259 LYS CA C 271 57.192 57.192 56.365 0.827 17614 16373 1 14 . 1 1 259 259 LYS CB C 271 32.734 32.734 33.370 -0.636 17614 16374 1 14 . 1 1 259 259 LYS H H 271 7.864 7.864 8.014 -0.150 17614 16375 1 14 . 1 1 260 260 GLY N N 272 106.217 106.217 107.443 -1.226 17614 16376 1 14 . 1 1 260 260 GLY C C 272 173.967 173.967 173.412 0.555 17614 16377 1 14 . 1 1 260 260 GLY CA C 272 46.117 46.117 45.815 0.302 17614 16378 1 14 . 1 1 260 260 GLY H H 272 7.622 7.622 8.310 -0.688 17614 16379 1 14 . 1 1 261 261 PHE N N 273 118.847 118.847 117.207 1.640 17614 16380 1 14 . 1 1 261 261 PHE C C 273 175.055 175.055 174.881 0.174 17614 16381 1 14 . 1 1 261 261 PHE CA C 273 57.721 57.721 56.930 0.791 17614 16382 1 14 . 1 1 261 261 PHE CB C 273 40.183 40.183 39.273 0.910 17614 16383 1 14 . 1 1 261 261 PHE H H 273 7.677 7.677 7.220 0.457 17614 16384 1 14 . 1 1 265 265 PHE C C 277 176.602 176.602 176.902 -0.300 17614 16385 1 14 . 1 1 265 265 PHE CA C 277 61.838 61.838 61.553 0.285 17614 16386 1 14 . 1 1 265 265 PHE CB C 277 39.537 39.537 39.311 0.226 17614 16387 1 14 . 1 1 265 265 PHE H H 277 7.695 7.695 8.395 -0.700 17614 16388 1 14 . 1 1 266 266 LEU N N 278 118.465 118.465 120.308 -1.843 17614 16389 1 14 . 1 1 266 266 LEU C C 278 177.152 177.152 178.498 -1.346 17614 16390 1 14 . 1 1 266 266 LEU CA C 278 56.115 56.115 58.272 -2.157 17614 16391 1 14 . 1 1 266 266 LEU CB C 278 42.398 42.398 41.924 0.474 17614 16392 1 14 . 1 1 266 266 LEU H H 278 8.104 8.104 8.035 0.069 17614 16393 1 14 . 1 1 267 267 ARG N N 279 118.749 118.749 119.322 -0.573 17614 16394 1 14 . 1 1 267 267 ARG C C 279 176.608 176.608 178.980 -2.372 17614 16395 1 14 . 1 1 267 267 ARG CA C 279 56.938 56.938 58.341 -1.403 17614 16396 1 14 . 1 1 267 267 ARG CB C 279 30.659 30.659 29.474 1.185 17614 16397 1 14 . 1 1 267 267 ARG H H 279 7.472 7.472 7.980 -0.508 17614 16398 1 14 . 1 1 268 268 LEU N N 280 120.305 120.305 119.935 0.370 17614 16399 1 14 . 1 1 268 268 LEU C C 280 177.540 177.540 178.817 -1.277 17614 16400 1 14 . 1 1 268 268 LEU CA C 280 57.094 57.094 58.051 -0.957 17614 16401 1 14 . 1 1 268 268 LEU CB C 280 42.027 42.027 41.511 0.516 17614 16402 1 14 . 1 1 268 268 LEU H H 280 7.690 7.690 8.341 -0.651 17614 16403 1 14 . 1 1 269 269 GLY N N 281 106.837 106.837 105.835 1.002 17614 16404 1 14 . 1 1 269 269 GLY C C 281 174.045 174.045 175.845 -1.800 17614 16405 1 14 . 1 1 269 269 GLY CA C 281 46.967 46.967 47.268 -0.301 17614 16406 1 14 . 1 1 269 269 GLY H H 281 7.881 7.881 7.832 0.049 17614 16407 1 14 . 1 1 270 270 SER N N 282 115.531 115.531 118.256 -2.725 17614 16408 1 14 . 1 1 270 270 SER C C 282 174.123 174.123 176.351 -2.228 17614 16409 1 14 . 1 1 270 270 SER CA C 282 58.796 58.796 61.149 -2.353 17614 16410 1 14 . 1 1 270 270 SER CB C 282 58.975 58.975 62.985 -4.010 17614 16411 1 14 . 1 1 270 270 SER H H 282 7.813 7.813 7.613 0.200 17614 16412 1 14 . 1 1 271 271 TRP N N 283 122.851 122.851 123.908 -1.057 17614 16413 1 14 . 1 1 271 271 TRP C C 283 176.142 176.142 177.099 -0.957 17614 16414 1 14 . 1 1 271 271 TRP CA C 283 59.221 59.221 60.205 -0.984 17614 16415 1 14 . 1 1 271 271 TRP CB C 283 30.446 30.446 29.730 0.716 17614 16416 1 14 . 1 1 271 271 TRP H H 283 8.186 8.186 8.427 -0.241 17614 16417 1 14 . 1 1 272 272 ASN N N 284 118.459 118.459 118.596 -0.137 17614 16418 1 14 . 1 1 272 272 ASN CA C 284 55.325 55.325 56.494 -1.169 17614 16419 1 14 . 1 1 272 272 ASN CB C 284 39.504 39.504 38.698 0.806 17614 16420 1 14 . 1 1 272 272 ASN H H 284 8.127 8.127 7.890 0.237 17614 16421 1 14 . 1 1 273 273 VAL C C 285 177.263 177.263 177.743 -0.480 17614 16422 1 14 . 1 1 273 273 VAL H H 285 7.854 7.854 7.644 0.210 17614 16423 1 14 . 1 1 274 274 VAL N N 286 119.883 119.883 116.809 3.074 17614 16424 1 14 . 1 1 274 274 VAL C C 286 177.072 177.072 177.469 -0.397 17614 16425 1 14 . 1 1 274 274 VAL CA C 286 64.717 64.717 65.710 -0.993 17614 16426 1 14 . 1 1 274 274 VAL CB C 286 29.553 29.553 31.252 -1.699 17614 16427 1 14 . 1 1 274 274 VAL H H 286 7.483 7.483 7.179 0.304 17614 16428 1 14 . 1 1 275 275 MET N N 287 120.401 120.401 119.752 0.649 17614 16429 1 14 . 1 1 275 275 MET C C 287 177.594 177.594 177.718 -0.124 17614 16430 1 14 . 1 1 275 275 MET CA C 287 57.654 57.654 57.508 0.146 17614 16431 1 14 . 1 1 275 275 MET CB C 287 31.592 31.592 31.928 -0.337 17614 16432 1 14 . 1 1 275 275 MET H H 287 8.118 8.118 7.195 0.923 17614 16433 1 14 . 1 1 276 276 PHE N N 288 122.234 122.234 120.559 1.675 17614 16434 1 14 . 1 1 276 276 PHE C C 288 176.498 176.498 177.480 -0.982 17614 16435 1 14 . 1 1 276 276 PHE CA C 288 61.766 61.766 62.209 -0.443 17614 16436 1 14 . 1 1 276 276 PHE CB C 288 39.031 39.031 39.031 0.000 17614 16437 1 14 . 1 1 276 276 PHE H H 288 7.878 7.878 7.585 0.293 17614 16438 1 14 . 1 1 277 277 VAL N N 289 118.907 118.907 118.170 0.737 17614 16439 1 14 . 1 1 277 277 VAL CA C 289 64.566 64.566 67.095 -2.529 17614 16440 1 14 . 1 1 277 277 VAL CB C 289 30.544 30.544 31.763 -1.219 17614 16441 1 14 . 1 1 277 277 VAL H H 289 7.913 7.913 7.661 0.252 17614 16442 1 14 . 1 1 278 278 THR C C 290 175.376 175.376 176.429 -1.053 17614 16443 1 14 . 1 1 278 278 THR H H 290 8.095 8.095 7.404 0.691 17614 16444 1 14 . 1 1 279 279 TYR N N 291 118.029 118.029 123.283 -5.254 17614 16445 1 14 . 1 1 279 279 TYR C C 291 176.919 176.919 176.983 -0.064 17614 16446 1 14 . 1 1 279 279 TYR CA C 291 61.717 61.717 61.928 -0.211 17614 16447 1 14 . 1 1 279 279 TYR CB C 291 38.020 38.020 38.253 -0.233 17614 16448 1 14 . 1 1 279 279 TYR H H 291 7.986 7.986 7.582 0.404 17614 16449 1 14 . 1 1 280 280 GLU N N 292 118.005 118.005 118.832 -0.827 17614 16450 1 14 . 1 1 280 280 GLU C C 292 176.686 176.686 178.789 -2.103 17614 16451 1 14 . 1 1 280 280 GLU CA C 292 60.084 60.084 59.894 0.190 17614 16452 1 14 . 1 1 280 280 GLU CB C 292 29.443 29.443 28.303 1.140 17614 16453 1 14 . 1 1 280 280 GLU H H 292 8.359 8.359 7.981 0.378 17614 16454 1 14 . 1 1 281 281 GLN N N 293 118.746 118.746 118.534 0.212 17614 16455 1 14 . 1 1 281 281 GLN C C 293 176.210 176.210 178.107 -1.897 17614 16456 1 14 . 1 1 281 281 GLN CA C 293 58.986 58.986 58.230 0.756 17614 16457 1 14 . 1 1 281 281 GLN CB C 293 28.784 28.784 28.446 0.338 17614 16458 1 14 . 1 1 281 281 GLN H H 293 7.704 7.704 7.333 0.371 17614 16459 1 14 . 1 1 282 282 LEU N N 294 120.970 120.970 118.235 2.735 17614 16460 1 14 . 1 1 282 282 LEU C C 294 178.084 178.084 178.189 -0.105 17614 16461 1 14 . 1 1 282 282 LEU CA C 294 58.741 58.741 57.061 1.680 17614 16462 1 14 . 1 1 282 282 LEU CB C 294 41.451 41.451 41.521 -0.070 17614 16463 1 14 . 1 1 282 282 LEU H H 294 7.995 7.995 7.353 0.642 17614 16464 1 14 . 1 1 283 283 LYS N N 295 117.756 117.756 117.161 0.595 17614 16465 1 14 . 1 1 283 283 LYS CA C 295 59.048 59.048 57.742 1.306 17614 16466 1 14 . 1 1 283 283 LYS CB C 295 31.871 31.871 32.924 -1.053 17614 16467 1 14 . 1 1 283 283 LYS H H 295 7.731 7.731 7.677 0.054 17614 16468 1 14 . 1 1 284 284 ARG H H 296 7.895 7.895 7.957 -0.062 17614 16469 1 14 . 1 1 285 285 ALA C C 297 176.488 176.488 176.171 0.317 17614 16470 1 14 . 1 1 285 285 ALA H H 297 8.223 8.223 8.554 -0.331 17614 16471 1 14 . 1 1 286 286 LEU N N 298 117.376 117.376 116.938 0.438 17614 16472 1 14 . 1 1 286 286 LEU C C 298 178.628 178.628 175.832 2.796 17614 16473 1 14 . 1 1 286 286 LEU CA C 298 58.217 58.217 53.824 4.393 17614 16474 1 14 . 1 1 286 286 LEU CB C 298 41.905 41.905 42.905 -1.000 17614 16475 1 14 . 1 1 286 286 LEU H H 298 7.947 7.947 7.693 0.254 17614 16476 1 14 . 1 1 287 287 MET N N 299 127.376 127.376 120.180 7.196 17614 16477 1 14 . 1 1 287 287 MET C C 299 178.472 178.472 174.570 3.902 17614 16478 1 14 . 1 1 287 287 MET CA C 299 58.461 58.461 56.454 2.007 17614 16479 1 14 . 1 1 287 287 MET CB C 299 32.110 32.110 32.766 -0.655 17614 16480 1 14 . 1 1 287 287 MET H H 299 8.182 8.182 8.383 -0.201 17614 16481 1 14 . 1 1 288 288 ALA N N 300 121.854 121.854 123.875 -2.021 17614 16482 1 14 . 1 1 288 288 ALA C C 300 180.197 180.197 175.883 4.314 17614 16483 1 14 . 1 1 288 288 ALA CA C 300 55.617 55.617 52.743 2.874 17614 16484 1 14 . 1 1 288 288 ALA CB C 300 18.215 18.215 19.925 -1.710 17614 16485 1 14 . 1 1 288 288 ALA H H 300 7.841 7.841 8.012 -0.171 17614 16486 1 14 . 1 1 289 289 ALA N N 301 121.224 121.224 127.467 -6.243 17614 16487 1 14 . 1 1 289 289 ALA C C 301 178.939 178.939 178.121 0.818 17614 16488 1 14 . 1 1 289 289 ALA CA C 301 55.186 55.186 54.530 0.656 17614 16489 1 14 . 1 1 289 289 ALA CB C 301 18.735 18.735 18.869 -0.134 17614 16490 1 14 . 1 1 289 289 ALA H H 301 7.872 7.872 8.743 -0.871 17614 16491 1 14 . 1 1 290 290 TYR N N 302 118.183 118.183 119.720 -1.537 17614 16492 1 14 . 1 1 290 290 TYR C C 302 176.841 176.841 177.668 -0.827 17614 16493 1 14 . 1 1 290 290 TYR CA C 302 60.868 60.868 61.586 -0.718 17614 16494 1 14 . 1 1 290 290 TYR CB C 302 39.344 39.344 37.969 1.375 17614 16495 1 14 . 1 1 290 290 TYR H H 302 8.100 8.100 8.434 -0.334 17614 16496 1 14 . 1 1 291 291 GLN N N 303 117.243 117.243 118.707 -1.464 17614 16497 1 14 . 1 1 291 291 GLN C C 303 176.997 176.997 178.697 -1.700 17614 16498 1 14 . 1 1 291 291 GLN CA C 303 58.787 58.787 59.000 -0.213 17614 16499 1 14 . 1 1 291 291 GLN CB C 303 29.216 29.216 28.095 1.121 17614 16500 1 14 . 1 1 291 291 GLN H H 303 8.059 8.059 8.596 -0.537 17614 16501 1 14 . 1 1 292 292 SER N N 304 114.721 114.721 114.841 -0.120 17614 16502 1 14 . 1 1 292 292 SER C C 304 174.511 174.511 176.065 -1.554 17614 16503 1 14 . 1 1 292 292 SER CA C 304 59.720 59.720 61.082 -1.362 17614 16504 1 14 . 1 1 292 292 SER CB C 304 63.896 63.896 62.938 0.958 17614 16505 1 14 . 1 1 292 292 SER H H 304 7.718 7.718 7.910 -0.192 17614 16506 1 14 . 1 1 293 293 ARG N N 305 121.401 121.401 119.739 1.662 17614 16507 1 14 . 1 1 293 293 ARG C C 305 175.521 175.521 177.718 -2.197 17614 16508 1 14 . 1 1 293 293 ARG CA C 305 59.639 59.639 58.051 1.588 17614 16509 1 14 . 1 1 293 293 ARG CB C 305 30.568 30.568 30.356 0.212 17614 16510 1 14 . 1 1 293 293 ARG H H 305 7.609 7.609 8.147 -0.538 17614 16511 1 14 . 1 1 294 294 GLU N N 306 120.090 120.090 117.306 2.784 17614 16512 1 14 . 1 1 294 294 GLU C C 306 177.648 177.648 178.916 -1.268 17614 16513 1 14 . 1 1 294 294 GLU CA C 306 59.624 59.624 58.576 1.048 17614 16514 1 14 . 1 1 294 294 GLU CB C 306 30.362 30.362 29.250 1.112 17614 16515 1 14 . 1 1 294 294 GLU H H 306 7.909 7.909 7.680 0.229 17614 16516 1 14 . 1 1 295 295 ALA N N 307 121.234 121.234 125.136 -3.902 17614 16517 1 14 . 1 1 295 295 ALA C C 307 176.014 176.014 177.377 -1.363 17614 16518 1 14 . 1 1 295 295 ALA CA C 307 56.844 56.844 55.368 1.476 17614 16519 1 14 . 1 1 295 295 ALA CB C 307 17.735 17.735 16.833 0.902 17614 16520 1 14 . 1 1 295 295 ALA H H 307 7.760 7.760 7.796 -0.036 17614 16521 1 15 . 1 1 3 3 VAL N N 15 123.095 123.095 124.968 -1.873 17614 16522 1 15 . 1 1 3 3 VAL C C 15 176.453 176.453 176.260 0.193 17614 16523 1 15 . 1 1 3 3 VAL CA C 15 63.979 63.979 60.419 3.560 17614 16524 1 15 . 1 1 3 3 VAL CB C 15 32.507 32.507 35.417 -2.910 17614 16525 1 15 . 1 1 3 3 VAL H H 15 8.053 8.053 8.142 -0.089 17614 16526 1 15 . 1 1 4 4 LYS N N 16 123.075 123.075 124.918 -1.843 17614 16527 1 15 . 1 1 4 4 LYS C C 16 176.841 176.841 179.113 -2.272 17614 16528 1 15 . 1 1 4 4 LYS CA C 16 59.762 59.762 59.103 0.659 17614 16529 1 15 . 1 1 4 4 LYS CB C 16 32.751 32.751 32.052 0.699 17614 16530 1 15 . 1 1 4 4 LYS H H 16 8.059 8.059 8.795 -0.736 17614 16531 1 15 . 1 1 5 5 PHE N N 17 118.838 118.838 117.946 0.892 17614 16532 1 15 . 1 1 5 5 PHE C C 17 175.443 175.443 178.362 -2.919 17614 16533 1 15 . 1 1 5 5 PHE CA C 17 59.915 59.915 61.411 -1.496 17614 16534 1 15 . 1 1 5 5 PHE CB C 17 39.659 39.659 38.091 1.568 17614 16535 1 15 . 1 1 5 5 PHE H H 17 7.909 7.909 8.085 -0.176 17614 16536 1 15 . 1 1 6 6 LEU N N 18 119.089 119.089 120.091 -1.002 17614 16537 1 15 . 1 1 6 6 LEU C C 18 177.195 177.195 178.512 -1.317 17614 16538 1 15 . 1 1 6 6 LEU CA C 18 55.385 55.385 56.605 -1.220 17614 16539 1 15 . 1 1 6 6 LEU CB C 18 42.905 42.905 41.651 1.254 17614 16540 1 15 . 1 1 6 6 LEU H H 18 7.814 7.814 8.052 -0.238 17614 16541 1 15 . 1 1 7 7 GLY N N 19 108.484 108.484 107.697 0.787 17614 16542 1 15 . 1 1 7 7 GLY C C 19 174.967 174.967 175.558 -0.591 17614 16543 1 15 . 1 1 7 7 GLY CA C 19 45.518 45.518 47.148 -1.630 17614 16544 1 15 . 1 1 7 7 GLY H H 19 8.032 8.032 8.418 -0.386 17614 16545 1 15 . 1 1 8 8 ALA N N 20 124.208 124.208 123.877 0.331 17614 16546 1 15 . 1 1 8 8 ALA C C 20 179.405 179.405 179.543 -0.138 17614 16547 1 15 . 1 1 8 8 ALA CA C 20 54.531 54.531 54.506 0.025 17614 16548 1 15 . 1 1 8 8 ALA CB C 20 18.995 18.995 18.290 0.705 17614 16549 1 15 . 1 1 8 8 ALA H H 20 8.318 8.318 7.986 0.332 17614 16550 1 15 . 1 1 9 9 GLY N N 21 108.209 108.209 107.222 0.987 17614 16551 1 15 . 1 1 9 9 GLY C C 21 175.676 175.676 176.311 -0.635 17614 16552 1 15 . 1 1 9 9 GLY CA C 21 46.742 46.742 47.453 -0.711 17614 16553 1 15 . 1 1 9 9 GLY H H 21 8.523 8.523 8.213 0.310 17614 16554 1 15 . 1 1 10 10 THR N N 22 119.542 119.542 115.080 4.462 17614 16555 1 15 . 1 1 10 10 THR C C 22 175.661 175.661 176.184 -0.523 17614 16556 1 15 . 1 1 10 10 THR CA C 22 66.401 66.401 65.832 0.570 17614 16557 1 15 . 1 1 10 10 THR CB C 22 68.866 68.866 68.593 0.273 17614 16558 1 15 . 1 1 10 10 THR H H 22 7.881 7.881 8.312 -0.431 17614 16559 1 15 . 1 1 11 11 ALA N N 23 123.431 123.431 124.296 -0.865 17614 16560 1 15 . 1 1 11 11 ALA C C 23 178.628 178.628 179.122 -0.494 17614 16561 1 15 . 1 1 11 11 ALA CA C 23 55.480 55.480 54.925 0.555 17614 16562 1 15 . 1 1 11 11 ALA CB C 23 18.218 18.218 18.075 0.143 17614 16563 1 15 . 1 1 11 11 ALA H H 23 8.263 8.263 7.539 0.724 17614 16564 1 15 . 1 1 12 12 ALA N N 24 119.939 119.939 121.268 -1.329 17614 16565 1 15 . 1 1 12 12 ALA C C 24 179.172 179.172 178.968 0.204 17614 16566 1 15 . 1 1 12 12 ALA CA C 24 55.038 55.038 55.212 -0.174 17614 16567 1 15 . 1 1 12 12 ALA CB C 24 18.385 18.385 18.318 0.067 17614 16568 1 15 . 1 1 12 12 ALA H H 24 7.827 7.827 8.388 -0.561 17614 16569 1 15 . 1 1 13 13 CYS N N 25 116.736 116.736 117.577 -0.841 17614 16570 1 15 . 1 1 13 13 CYS C C 25 176.220 176.220 176.667 -0.447 17614 16571 1 15 . 1 1 13 13 CYS CA C 25 58.596 58.596 63.484 -4.888 17614 16572 1 15 . 1 1 13 13 CYS CB C 25 41.771 41.771 27.850 13.921 17614 16573 1 15 . 1 1 13 13 CYS H H 25 7.677 7.677 7.466 0.211 17614 16574 1 15 . 1 1 14 14 ILE N N 26 119.154 119.154 119.767 -0.613 17614 16575 1 15 . 1 1 14 14 ILE C C 26 176.915 176.915 177.636 -0.721 17614 16576 1 15 . 1 1 14 14 ILE CA C 26 64.858 64.858 65.211 -0.353 17614 16577 1 15 . 1 1 14 14 ILE CB C 26 38.090 38.090 37.799 0.291 17614 16578 1 15 . 1 1 14 14 ILE H H 26 7.899 7.899 7.559 0.340 17614 16579 1 15 . 1 1 15 15 ALA N N 27 121.116 121.116 121.887 -0.771 17614 16580 1 15 . 1 1 15 15 ALA C C 27 179.016 179.016 178.994 0.022 17614 16581 1 15 . 1 1 15 15 ALA CA C 27 55.367 55.367 55.045 0.322 17614 16582 1 15 . 1 1 15 15 ALA CB C 27 18.385 18.385 18.484 -0.099 17614 16583 1 15 . 1 1 15 15 ALA H H 27 7.909 7.909 7.894 0.015 17614 16584 1 15 . 1 1 16 16 ASP N N 28 116.829 116.829 118.381 -1.552 17614 16585 1 15 . 1 1 16 16 ASP C C 28 177.643 177.643 178.208 -0.565 17614 16586 1 15 . 1 1 16 16 ASP CA C 28 56.453 56.453 56.873 -0.420 17614 16587 1 15 . 1 1 16 16 ASP CB C 28 41.128 41.128 41.228 -0.100 17614 16588 1 15 . 1 1 16 16 ASP H H 28 7.554 7.554 7.560 -0.006 17614 16589 1 15 . 1 1 17 17 LEU N N 29 119.672 119.672 121.234 -1.562 17614 16590 1 15 . 1 1 17 17 LEU C C 29 178.628 178.628 178.659 -0.031 17614 16591 1 15 . 1 1 17 17 LEU CA C 29 57.144 57.144 58.373 -1.229 17614 16592 1 15 . 1 1 17 17 LEU CB C 29 43.146 43.146 42.300 0.846 17614 16593 1 15 . 1 1 17 17 LEU H H 29 7.732 7.732 7.456 0.276 17614 16594 1 15 . 1 1 18 18 ILE N N 30 113.629 113.629 112.718 0.911 17614 16595 1 15 . 1 1 18 18 ILE C C 30 176.456 176.456 176.985 -0.529 17614 16596 1 15 . 1 1 18 18 ILE CA C 30 60.539 60.539 63.687 -3.148 17614 16597 1 15 . 1 1 18 18 ILE CB C 30 38.506 38.506 37.718 0.789 17614 16598 1 15 . 1 1 18 18 ILE H H 30 7.977 7.977 7.690 0.287 17614 16599 1 15 . 1 1 19 19 THR N N 31 113.314 113.314 116.066 -2.752 17614 16600 1 15 . 1 1 19 19 THR C C 31 174.045 174.045 175.582 -1.537 17614 16601 1 15 . 1 1 19 19 THR CA C 31 62.495 62.495 63.655 -1.160 17614 16602 1 15 . 1 1 19 19 THR CB C 31 69.898 69.898 69.663 0.235 17614 16603 1 15 . 1 1 19 19 THR H H 31 7.738 7.738 7.339 0.399 17614 16604 1 15 . 1 1 20 20 PHE N N 32 123.409 123.409 123.454 -0.045 17614 16605 1 15 . 1 1 20 20 PHE CA C 32 56.349 56.349 62.631 -6.282 17614 16606 1 15 . 1 1 20 20 PHE CB C 32 39.148 39.148 37.306 1.842 17614 16607 1 15 . 1 1 20 20 PHE H H 32 7.609 7.609 8.800 -1.191 17614 16608 1 15 . 1 1 21 21 PRO C C 33 177.831 177.831 178.052 -0.221 17614 16609 1 15 . 1 1 21 21 PRO CA C 33 62.656 62.656 65.059 -2.403 17614 16610 1 15 . 1 1 21 21 PRO CB C 33 34.762 34.762 30.932 3.830 17614 16611 1 15 . 1 1 22 22 LEU N N 34 124.503 124.503 118.308 6.195 17614 16612 1 15 . 1 1 22 22 LEU C C 34 176.298 176.298 178.337 -2.039 17614 16613 1 15 . 1 1 22 22 LEU CA C 34 55.545 55.545 57.126 -1.581 17614 16614 1 15 . 1 1 22 22 LEU CB C 34 43.287 43.287 41.879 1.408 17614 16615 1 15 . 1 1 22 22 LEU H H 34 8.659 8.659 7.162 1.497 17614 16616 1 15 . 1 1 23 23 ASP N N 35 121.663 121.663 118.147 3.516 17614 16617 1 15 . 1 1 23 23 ASP C C 35 177.152 177.152 177.856 -0.704 17614 16618 1 15 . 1 1 23 23 ASP CA C 35 54.326 54.326 57.487 -3.161 17614 16619 1 15 . 1 1 23 23 ASP CB C 35 41.154 41.154 40.889 0.265 17614 16620 1 15 . 1 1 23 23 ASP H H 35 8.236 8.236 7.703 0.533 17614 16621 1 15 . 1 1 24 24 THR N N 36 115.977 115.977 112.746 3.231 17614 16622 1 15 . 1 1 24 24 THR C C 36 177.088 177.088 176.274 0.814 17614 16623 1 15 . 1 1 24 24 THR CA C 36 64.868 64.868 65.721 -0.853 17614 16624 1 15 . 1 1 24 24 THR CB C 36 69.053 69.053 68.308 0.745 17614 16625 1 15 . 1 1 24 24 THR H H 36 8.127 8.127 7.714 0.413 17614 16626 1 15 . 1 1 25 25 ALA N N 37 125.063 125.063 123.330 1.733 17614 16627 1 15 . 1 1 25 25 ALA C C 37 179.143 179.143 179.209 -0.066 17614 16628 1 15 . 1 1 25 25 ALA CA C 37 55.234 55.234 54.895 0.339 17614 16629 1 15 . 1 1 25 25 ALA CB C 37 18.735 18.735 18.259 0.476 17614 16630 1 15 . 1 1 25 25 ALA H H 37 8.042 8.042 7.783 0.259 17614 16631 1 15 . 1 1 26 26 LYS N N 38 117.827 117.827 118.786 -0.959 17614 16632 1 15 . 1 1 26 26 LYS C C 38 178.239 178.239 179.121 -0.882 17614 16633 1 15 . 1 1 26 26 LYS CA C 38 58.861 58.861 59.033 -0.172 17614 16634 1 15 . 1 1 26 26 LYS CB C 38 32.724 32.724 31.932 0.792 17614 16635 1 15 . 1 1 26 26 LYS H H 38 7.759 7.759 7.401 0.358 17614 16636 1 15 . 1 1 27 27 VAL N N 39 118.955 118.955 120.940 -1.985 17614 16637 1 15 . 1 1 27 27 VAL C C 39 177.892 177.892 177.386 0.506 17614 16638 1 15 . 1 1 27 27 VAL CA C 39 65.478 65.478 64.726 0.752 17614 16639 1 15 . 1 1 27 27 VAL CB C 39 34.675 34.675 31.416 3.259 17614 16640 1 15 . 1 1 27 27 VAL H H 39 7.554 7.554 7.584 -0.030 17614 16641 1 15 . 1 1 28 28 ARG N N 40 119.922 119.922 119.797 0.125 17614 16642 1 15 . 1 1 28 28 ARG C C 40 178.391 178.391 178.850 -0.459 17614 16643 1 15 . 1 1 28 28 ARG CA C 40 59.648 59.648 57.784 1.864 17614 16644 1 15 . 1 1 28 28 ARG CB C 40 29.933 29.933 30.127 -0.194 17614 16645 1 15 . 1 1 28 28 ARG H H 40 7.794 7.794 7.565 0.229 17614 16646 1 15 . 1 1 29 29 LEU N N 41 118.720 118.720 116.222 2.498 17614 16647 1 15 . 1 1 29 29 LEU CA C 41 54.749 54.749 55.787 -1.038 17614 16648 1 15 . 1 1 29 29 LEU CB C 41 40.429 40.429 39.944 0.485 17614 16649 1 15 . 1 1 29 29 LEU H H 41 7.534 7.534 7.771 -0.237 17614 16650 1 15 . 1 1 37 37 GLY C C 49 174.779 174.779 175.038 -0.259 17614 16651 1 15 . 1 1 38 38 LEU N N 50 123.029 123.029 122.592 0.437 17614 16652 1 15 . 1 1 38 38 LEU C C 50 178.482 178.482 178.810 -0.328 17614 16653 1 15 . 1 1 38 38 LEU CA C 50 56.765 56.765 57.188 -0.423 17614 16654 1 15 . 1 1 38 38 LEU CB C 50 41.673 41.673 40.810 0.863 17614 16655 1 15 . 1 1 38 38 LEU H H 50 8.113 8.113 8.294 -0.181 17614 16656 1 15 . 1 1 39 39 VAL N N 51 118.714 118.714 114.680 4.034 17614 16657 1 15 . 1 1 39 39 VAL C C 51 178.032 178.032 177.514 0.518 17614 16658 1 15 . 1 1 39 39 VAL CA C 51 66.037 66.037 65.118 0.919 17614 16659 1 15 . 1 1 39 39 VAL CB C 51 30.763 30.763 31.473 -0.710 17614 16660 1 15 . 1 1 39 39 VAL H H 51 7.974 7.974 7.829 0.145 17614 16661 1 15 . 1 1 40 40 ARG N N 52 121.569 121.569 118.184 3.385 17614 16662 1 15 . 1 1 40 40 ARG CA C 52 59.167 59.167 58.743 0.424 17614 16663 1 15 . 1 1 40 40 ARG CB C 52 29.437 29.437 29.676 -0.239 17614 16664 1 15 . 1 1 40 40 ARG H H 52 8.231 8.231 8.141 0.090 17614 16665 1 15 . 1 1 41 41 THR C C 53 175.108 175.108 175.006 0.102 17614 16666 1 15 . 1 1 41 41 THR H H 53 7.948 7.948 7.577 0.371 17614 16667 1 15 . 1 1 42 42 ALA N N 54 121.823 121.823 123.777 -1.954 17614 16668 1 15 . 1 1 42 42 ALA C C 54 174.922 174.922 176.660 -1.738 17614 16669 1 15 . 1 1 42 42 ALA CA C 54 50.101 50.101 52.059 -1.958 17614 16670 1 15 . 1 1 42 42 ALA CB C 54 18.950 18.950 19.684 -0.734 17614 16671 1 15 . 1 1 42 42 ALA H H 54 7.792 7.792 7.586 0.206 17614 16672 1 15 . 1 1 43 43 ALA N N 55 113.986 113.986 117.706 -3.720 17614 16673 1 15 . 1 1 43 43 ALA C C 55 178.007 178.007 176.614 1.393 17614 16674 1 15 . 1 1 43 43 ALA CA C 55 53.458 53.458 52.230 1.228 17614 16675 1 15 . 1 1 43 43 ALA CB C 55 18.809 18.809 18.846 -0.037 17614 16676 1 15 . 1 1 43 43 ALA H H 55 7.333 7.333 8.316 -0.983 17614 16677 1 15 . 1 1 44 44 SER N N 56 125.425 125.425 115.291 10.134 17614 16678 1 15 . 1 1 44 44 SER C C 56 174.899 174.899 174.004 0.895 17614 16679 1 15 . 1 1 44 44 SER CA C 56 59.520 59.520 57.336 2.184 17614 16680 1 15 . 1 1 44 44 SER CB C 56 64.051 64.051 64.621 -0.570 17614 16681 1 15 . 1 1 44 44 SER H H 56 7.786 7.786 7.790 -0.004 17614 16682 1 15 . 1 1 45 45 ALA N N 57 118.183 118.183 121.865 -3.682 17614 16683 1 15 . 1 1 45 45 ALA CA C 57 53.783 53.783 52.763 1.020 17614 16684 1 15 . 1 1 45 45 ALA CB C 57 17.599 17.599 17.923 -0.324 17614 16685 1 15 . 1 1 45 45 ALA H H 57 8.018 8.018 7.944 0.074 17614 16686 1 15 . 1 1 47 47 TYR C C 59 177.662 177.662 176.027 1.635 17614 16687 1 15 . 1 1 48 48 ARG N N 60 122.798 122.798 122.237 0.561 17614 16688 1 15 . 1 1 48 48 ARG C C 60 177.956 177.956 177.030 0.926 17614 16689 1 15 . 1 1 48 48 ARG CA C 60 58.711 58.711 57.578 1.133 17614 16690 1 15 . 1 1 48 48 ARG CB C 60 30.659 30.659 30.159 0.500 17614 16691 1 15 . 1 1 48 48 ARG H H 60 8.311 8.311 8.544 -0.233 17614 16692 1 15 . 1 1 49 49 GLY N N 61 109.033 109.033 107.087 1.946 17614 16693 1 15 . 1 1 49 49 GLY C C 61 176.064 176.064 175.671 0.393 17614 16694 1 15 . 1 1 49 49 GLY CA C 61 46.592 46.592 45.366 1.226 17614 16695 1 15 . 1 1 49 49 GLY H H 61 8.182 8.182 8.141 0.041 17614 16696 1 15 . 1 1 50 50 VAL N N 62 123.218 123.218 123.370 -0.152 17614 16697 1 15 . 1 1 50 50 VAL C C 62 177.540 177.540 177.274 0.266 17614 16698 1 15 . 1 1 50 50 VAL CA C 62 66.277 66.277 64.290 1.987 17614 16699 1 15 . 1 1 50 50 VAL CB C 62 32.355 32.355 31.917 0.438 17614 16700 1 15 . 1 1 50 50 VAL H H 62 8.105 8.105 8.368 -0.263 17614 16701 1 15 . 1 1 51 51 LEU N N 63 120.295 120.295 120.319 -0.024 17614 16702 1 15 . 1 1 51 51 LEU C C 63 178.628 178.628 179.529 -0.901 17614 16703 1 15 . 1 1 51 51 LEU CA C 63 58.366 58.366 57.529 0.837 17614 16704 1 15 . 1 1 51 51 LEU CB C 63 41.675 41.675 40.158 1.517 17614 16705 1 15 . 1 1 51 51 LEU H H 63 8.182 8.182 8.371 -0.189 17614 16706 1 15 . 1 1 52 52 GLY N N 64 106.013 106.013 106.290 -0.277 17614 16707 1 15 . 1 1 52 52 GLY C C 64 176.531 176.531 176.362 0.169 17614 16708 1 15 . 1 1 52 52 GLY CA C 64 47.765 47.765 47.134 0.631 17614 16709 1 15 . 1 1 52 52 GLY H H 64 8.102 8.102 7.671 0.431 17614 16710 1 15 . 1 1 53 53 THR N N 65 120.842 120.842 119.151 1.691 17614 16711 1 15 . 1 1 53 53 THR C C 65 176.453 176.453 176.747 -0.294 17614 16712 1 15 . 1 1 53 53 THR CA C 65 67.140 67.140 66.329 0.811 17614 16713 1 15 . 1 1 53 53 THR CB C 65 69.161 69.161 68.769 0.392 17614 16714 1 15 . 1 1 53 53 THR H H 65 7.854 7.854 7.516 0.338 17614 16715 1 15 . 1 1 54 54 ILE N N 66 122.676 122.676 119.632 3.044 17614 16716 1 15 . 1 1 54 54 ILE C C 66 177.307 177.307 177.469 -0.162 17614 16717 1 15 . 1 1 54 54 ILE CA C 66 65.832 65.832 64.489 1.343 17614 16718 1 15 . 1 1 54 54 ILE CB C 66 38.090 38.090 37.384 0.706 17614 16719 1 15 . 1 1 54 54 ILE H H 66 8.018 8.018 7.478 0.540 17614 16720 1 15 . 1 1 55 55 LEU N N 67 119.838 119.838 120.217 -0.379 17614 16721 1 15 . 1 1 55 55 LEU C C 67 178.706 178.706 178.895 -0.189 17614 16722 1 15 . 1 1 55 55 LEU CA C 67 58.491 58.491 57.989 0.502 17614 16723 1 15 . 1 1 55 55 LEU CB C 67 41.387 41.387 40.584 0.803 17614 16724 1 15 . 1 1 55 55 LEU H H 67 8.291 8.291 7.643 0.648 17614 16725 1 15 . 1 1 56 56 THR N N 68 115.362 115.362 115.144 0.218 17614 16726 1 15 . 1 1 56 56 THR C C 68 176.764 176.764 176.767 -0.003 17614 16727 1 15 . 1 1 56 56 THR CA C 68 67.040 67.040 66.349 0.691 17614 16728 1 15 . 1 1 56 56 THR CB C 68 69.403 69.403 68.709 0.694 17614 16729 1 15 . 1 1 56 56 THR H H 68 7.963 7.963 7.242 0.721 17614 16730 1 15 . 1 1 57 57 MET N N 69 122.960 122.960 121.069 1.891 17614 16731 1 15 . 1 1 57 57 MET C C 69 177.153 177.153 177.470 -0.317 17614 16732 1 15 . 1 1 57 57 MET CA C 69 59.710 59.710 58.329 1.381 17614 16733 1 15 . 1 1 57 57 MET CB C 69 33.111 33.111 32.221 0.890 17614 16734 1 15 . 1 1 57 57 MET H H 69 7.977 7.977 7.640 0.337 17614 16735 1 15 . 1 1 58 58 VAL N N 70 119.558 119.558 117.544 2.014 17614 16736 1 15 . 1 1 58 58 VAL C C 70 176.841 176.841 177.590 -0.749 17614 16737 1 15 . 1 1 58 58 VAL CA C 70 66.277 66.277 65.963 0.314 17614 16738 1 15 . 1 1 58 58 VAL CB C 70 31.362 31.362 31.332 0.030 17614 16739 1 15 . 1 1 58 58 VAL H H 70 7.751 7.751 7.406 0.345 17614 16740 1 15 . 1 1 59 59 ARG N N 71 118.002 118.002 118.370 -0.368 17614 16741 1 15 . 1 1 59 59 ARG C C 71 177.152 177.152 177.951 -0.799 17614 16742 1 15 . 1 1 59 59 ARG CA C 71 58.761 58.761 58.457 0.304 17614 16743 1 15 . 1 1 59 59 ARG CB C 71 30.656 30.656 30.139 0.517 17614 16744 1 15 . 1 1 59 59 ARG H H 71 7.827 7.827 7.450 0.377 17614 16745 1 15 . 1 1 60 60 THR N N 72 111.410 111.410 115.145 -3.735 17614 16746 1 15 . 1 1 60 60 THR C C 72 175.288 175.288 175.679 -0.391 17614 16747 1 15 . 1 1 60 60 THR CA C 72 64.194 64.194 65.501 -1.306 17614 16748 1 15 . 1 1 60 60 THR CB C 72 70.312 70.312 68.953 1.359 17614 16749 1 15 . 1 1 60 60 THR H H 72 7.745 7.745 7.671 0.074 17614 16750 1 15 . 1 1 61 61 GLU N N 73 120.577 120.577 119.274 1.303 17614 16751 1 15 . 1 1 61 61 GLU C C 73 177.696 177.696 176.546 1.150 17614 16752 1 15 . 1 1 61 61 GLU CA C 73 57.363 57.363 56.628 0.735 17614 16753 1 15 . 1 1 61 61 GLU CB C 73 30.927 30.927 31.780 -0.853 17614 16754 1 15 . 1 1 61 61 GLU H H 73 8.263 8.263 7.982 0.281 17614 16755 1 15 . 1 1 62 62 GLY N N 74 108.209 108.209 107.063 1.146 17614 16756 1 15 . 1 1 62 62 GLY CA C 74 45.593 45.593 44.886 0.706 17614 16757 1 15 . 1 1 62 62 GLY H H 74 7.841 7.841 7.461 0.380 17614 16758 1 15 . 1 1 63 63 PRO C C 75 177.152 177.152 178.442 -1.290 17614 16759 1 15 . 1 1 63 63 PRO CA C 75 65.652 65.652 64.441 1.211 17614 16760 1 15 . 1 1 63 63 PRO CB C 75 32.294 32.294 32.370 -0.076 17614 16761 1 15 . 1 1 64 64 ARG N N 76 118.553 118.553 117.468 1.085 17614 16762 1 15 . 1 1 64 64 ARG C C 76 177.696 177.696 178.032 -0.336 17614 16763 1 15 . 1 1 64 64 ARG CA C 76 59.785 59.785 58.196 1.589 17614 16764 1 15 . 1 1 64 64 ARG CB C 76 29.671 29.671 29.555 0.115 17614 16765 1 15 . 1 1 64 64 ARG H H 76 8.427 8.427 8.577 -0.150 17614 16766 1 15 . 1 1 65 65 SER N N 77 115.323 115.323 114.452 0.871 17614 16767 1 15 . 1 1 65 65 SER C C 77 177.230 177.230 175.796 1.434 17614 16768 1 15 . 1 1 65 65 SER CA C 77 61.318 61.318 60.726 0.592 17614 16769 1 15 . 1 1 65 65 SER CB C 77 63.281 63.281 63.221 0.060 17614 16770 1 15 . 1 1 65 65 SER H H 77 7.963 7.963 8.002 -0.039 17614 16771 1 15 . 1 1 66 66 LEU N N 78 122.598 122.598 119.432 3.166 17614 16772 1 15 . 1 1 66 66 LEU C C 78 177.696 177.696 178.168 -0.472 17614 16773 1 15 . 1 1 66 66 LEU CA C 78 57.792 57.792 56.965 0.827 17614 16774 1 15 . 1 1 66 66 LEU CB C 78 42.202 42.202 41.967 0.235 17614 16775 1 15 . 1 1 66 66 LEU H H 78 7.595 7.595 7.452 0.143 17614 16776 1 15 . 1 1 67 67 TYR N N 79 119.276 119.276 113.095 6.181 17614 16777 1 15 . 1 1 67 67 TYR C C 79 176.142 176.142 176.350 -0.208 17614 16778 1 15 . 1 1 67 67 TYR CA C 79 60.792 60.792 58.530 2.262 17614 16779 1 15 . 1 1 67 67 TYR CB C 79 38.687 38.687 38.247 0.440 17614 16780 1 15 . 1 1 67 67 TYR H H 79 7.868 7.868 7.375 0.493 17614 16781 1 15 . 1 1 68 68 ASN N N 80 117.249 117.249 118.533 -1.284 17614 16782 1 15 . 1 1 68 68 ASN C C 80 178.472 178.472 175.369 3.103 17614 16783 1 15 . 1 1 68 68 ASN CA C 80 53.024 53.024 53.188 -0.164 17614 16784 1 15 . 1 1 68 68 ASN CB C 80 37.946 37.946 37.655 0.291 17614 16785 1 15 . 1 1 68 68 ASN H H 80 8.374 8.374 7.559 0.815 17614 16786 1 15 . 1 1 69 69 GLY N N 81 108.575 108.575 105.795 2.780 17614 16787 1 15 . 1 1 69 69 GLY C C 81 175.521 175.521 174.697 0.824 17614 16788 1 15 . 1 1 69 69 GLY CA C 81 46.266 46.266 45.393 0.873 17614 16789 1 15 . 1 1 69 69 GLY H H 81 8.086 8.086 7.735 0.351 17614 16790 1 15 . 1 1 70 70 LEU N N 82 124.326 124.326 123.173 1.153 17614 16791 1 15 . 1 1 70 70 LEU C C 82 178.239 178.239 177.903 0.336 17614 16792 1 15 . 1 1 70 70 LEU CA C 82 58.217 58.217 57.484 0.733 17614 16793 1 15 . 1 1 70 70 LEU CB C 82 42.351 42.351 42.262 0.089 17614 16794 1 15 . 1 1 70 70 LEU H H 82 7.991 7.991 7.783 0.208 17614 16795 1 15 . 1 1 71 71 VAL N N 83 117.727 117.727 115.047 2.680 17614 16796 1 15 . 1 1 71 71 VAL C C 83 177.851 177.851 177.189 0.662 17614 16797 1 15 . 1 1 71 71 VAL CA C 83 64.113 64.113 65.098 -0.985 17614 16798 1 15 . 1 1 71 71 VAL CB C 83 31.924 31.924 30.796 1.128 17614 16799 1 15 . 1 1 71 71 VAL H H 83 8.004 8.004 7.977 0.027 17614 16800 1 15 . 1 1 72 72 ALA N N 84 121.414 121.414 122.356 -0.942 17614 16801 1 15 . 1 1 72 72 ALA C C 84 180.570 180.570 179.577 0.993 17614 16802 1 15 . 1 1 72 72 ALA CA C 84 55.031 55.031 54.656 0.375 17614 16803 1 15 . 1 1 72 72 ALA CB C 84 18.286 18.286 18.114 0.172 17614 16804 1 15 . 1 1 72 72 ALA H H 84 7.677 7.677 7.339 0.338 17614 16805 1 15 . 1 1 73 73 GLY N N 85 106.471 106.471 107.448 -0.977 17614 16806 1 15 . 1 1 73 73 GLY C C 85 175.521 175.521 176.056 -0.535 17614 16807 1 15 . 1 1 73 73 GLY CA C 85 47.191 47.191 46.676 0.515 17614 16808 1 15 . 1 1 73 73 GLY H H 85 7.963 7.963 7.561 0.402 17614 16809 1 15 . 1 1 74 74 LEU N N 86 122.326 122.326 122.024 0.302 17614 16810 1 15 . 1 1 74 74 LEU C C 86 178.239 178.239 178.797 -0.558 17614 16811 1 15 . 1 1 74 74 LEU CA C 86 57.493 57.493 57.523 -0.030 17614 16812 1 15 . 1 1 74 74 LEU CB C 86 42.202 42.202 40.903 1.299 17614 16813 1 15 . 1 1 74 74 LEU H H 86 8.100 8.100 7.391 0.709 17614 16814 1 15 . 1 1 75 75 GLN N N 87 117.736 117.736 117.988 -0.252 17614 16815 1 15 . 1 1 75 75 GLN C C 87 177.340 177.340 178.203 -0.863 17614 16816 1 15 . 1 1 75 75 GLN CA C 87 57.787 57.787 59.080 -1.293 17614 16817 1 15 . 1 1 75 75 GLN CB C 87 28.942 28.942 28.300 0.642 17614 16818 1 15 . 1 1 75 75 GLN H H 87 8.004 8.004 7.804 0.200 17614 16819 1 15 . 1 1 76 76 ARG N N 88 118.107 118.107 119.243 -1.136 17614 16820 1 15 . 1 1 76 76 ARG C C 88 177.930 177.930 178.956 -1.026 17614 16821 1 15 . 1 1 76 76 ARG CA C 88 58.062 58.062 59.362 -1.300 17614 16822 1 15 . 1 1 76 76 ARG CB C 88 30.774 30.774 29.763 1.011 17614 16823 1 15 . 1 1 76 76 ARG H H 88 7.568 7.568 7.330 0.238 17614 16824 1 15 . 1 1 77 77 GLN N N 89 117.921 117.921 117.323 0.598 17614 16825 1 15 . 1 1 77 77 GLN C C 89 177.375 177.375 178.407 -1.032 17614 16826 1 15 . 1 1 77 77 GLN CA C 89 56.838 56.838 57.721 -0.883 17614 16827 1 15 . 1 1 77 77 GLN CB C 89 29.006 29.006 28.358 0.648 17614 16828 1 15 . 1 1 77 77 GLN H H 89 7.827 7.827 7.495 0.332 17614 16829 1 15 . 1 1 78 78 MET N N 90 118.378 118.378 120.336 -1.958 17614 16830 1 15 . 1 1 78 78 MET C C 90 176.365 176.365 178.236 -1.871 17614 16831 1 15 . 1 1 78 78 MET CA C 90 56.339 56.339 57.921 -1.582 17614 16832 1 15 . 1 1 78 78 MET CB C 90 33.444 33.444 32.373 1.071 17614 16833 1 15 . 1 1 78 78 MET H H 90 7.963 7.963 8.525 -0.562 17614 16834 1 15 . 1 1 79 79 SER N N 91 115.089 115.089 115.387 -0.298 17614 16835 1 15 . 1 1 79 79 SER C C 91 175.899 175.899 176.333 -0.434 17614 16836 1 15 . 1 1 79 79 SER CA C 91 58.621 58.621 61.744 -3.123 17614 16837 1 15 . 1 1 79 79 SER CB C 91 64.337 64.337 63.074 1.263 17614 16838 1 15 . 1 1 79 79 SER H H 91 7.868 7.868 7.794 0.074 17614 16839 1 15 . 1 1 80 80 PHE N N 92 122.852 122.852 123.101 -0.249 17614 16840 1 15 . 1 1 80 80 PHE C C 92 177.375 177.375 176.588 0.787 17614 16841 1 15 . 1 1 80 80 PHE CA C 92 59.095 59.095 61.133 -2.038 17614 16842 1 15 . 1 1 80 80 PHE CB C 92 38.937 38.937 39.003 -0.066 17614 16843 1 15 . 1 1 80 80 PHE H H 92 8.332 8.332 7.530 0.802 17614 16844 1 15 . 1 1 81 81 ALA N N 93 123.258 123.258 119.700 3.558 17614 16845 1 15 . 1 1 81 81 ALA C C 93 178.628 178.628 178.688 -0.060 17614 16846 1 15 . 1 1 81 81 ALA CA C 93 54.881 54.881 54.223 0.658 17614 16847 1 15 . 1 1 81 81 ALA CB C 93 17.902 17.902 18.137 -0.235 17614 16848 1 15 . 1 1 81 81 ALA H H 93 8.223 8.223 7.723 0.500 17614 16849 1 15 . 1 1 82 82 SER N N 94 112.886 112.886 115.584 -2.698 17614 16850 1 15 . 1 1 82 82 SER C C 94 176.831 176.831 176.998 -0.167 17614 16851 1 15 . 1 1 82 82 SER CA C 94 60.319 60.319 60.982 -0.663 17614 16852 1 15 . 1 1 82 82 SER CB C 94 63.611 63.611 63.519 0.092 17614 16853 1 15 . 1 1 82 82 SER H H 94 7.977 7.977 7.573 0.404 17614 16854 1 15 . 1 1 83 83 VAL N N 95 121.854 121.854 118.136 3.718 17614 16855 1 15 . 1 1 83 83 VAL C C 95 176.220 176.220 176.793 -0.573 17614 16856 1 15 . 1 1 83 83 VAL CA C 95 64.629 64.629 65.100 -0.471 17614 16857 1 15 . 1 1 83 83 VAL CB C 95 31.328 31.328 31.159 0.169 17614 16858 1 15 . 1 1 83 83 VAL H H 95 7.581 7.581 8.084 -0.503 17614 16859 1 15 . 1 1 84 84 ARG N N 96 121.329 121.329 118.943 2.386 17614 16860 1 15 . 1 1 84 84 ARG C C 96 176.814 176.814 176.904 -0.090 17614 16861 1 15 . 1 1 84 84 ARG CA C 96 58.636 58.636 57.688 0.948 17614 16862 1 15 . 1 1 84 84 ARG CB C 96 30.672 30.672 29.291 1.381 17614 16863 1 15 . 1 1 84 84 ARG H H 96 7.936 7.936 7.180 0.756 17614 16864 1 15 . 1 1 85 85 ILE N N 97 119.194 119.194 117.555 1.639 17614 16865 1 15 . 1 1 85 85 ILE C C 97 177.152 177.152 176.592 0.560 17614 16866 1 15 . 1 1 85 85 ILE CA C 97 63.296 63.296 61.703 1.593 17614 16867 1 15 . 1 1 85 85 ILE CB C 97 38.757 38.757 37.673 1.083 17614 16868 1 15 . 1 1 85 85 ILE H H 97 7.802 7.802 7.428 0.374 17614 16869 1 15 . 1 1 86 86 GLY N N 98 109.857 109.857 108.053 1.804 17614 16870 1 15 . 1 1 86 86 GLY C C 98 176.064 176.064 174.636 1.428 17614 16871 1 15 . 1 1 86 86 GLY CA C 98 46.941 46.941 46.104 0.837 17614 16872 1 15 . 1 1 86 86 GLY H H 98 8.127 8.127 7.729 0.398 17614 16873 1 15 . 1 1 87 87 LEU N N 99 123.258 123.258 122.945 0.313 17614 16874 1 15 . 1 1 87 87 LEU C C 99 177.856 177.856 177.717 0.139 17614 16875 1 15 . 1 1 87 87 LEU CA C 99 58.264 58.264 56.331 1.933 17614 16876 1 15 . 1 1 87 87 LEU CB C 99 42.488 42.488 41.950 0.538 17614 16877 1 15 . 1 1 87 87 LEU H H 99 8.223 8.223 8.196 0.027 17614 16878 1 15 . 1 1 88 88 TYR N N 100 119.770 119.770 119.421 0.349 17614 16879 1 15 . 1 1 88 88 TYR C C 100 176.997 176.997 176.960 0.037 17614 16880 1 15 . 1 1 88 88 TYR CA C 100 61.592 61.592 61.870 -0.278 17614 16881 1 15 . 1 1 88 88 TYR CB C 100 38.809 38.809 38.184 0.624 17614 16882 1 15 . 1 1 88 88 TYR H H 100 8.207 8.207 8.051 0.156 17614 16883 1 15 . 1 1 89 89 ASP N N 101 118.460 118.460 117.331 1.129 17614 16884 1 15 . 1 1 89 89 ASP C C 101 178.939 178.939 178.832 0.107 17614 16885 1 15 . 1 1 89 89 ASP CA C 101 57.797 57.797 57.208 0.589 17614 16886 1 15 . 1 1 89 89 ASP CB C 101 40.498 40.498 40.229 0.269 17614 16887 1 15 . 1 1 89 89 ASP H H 101 8.401 8.401 8.637 -0.236 17614 16888 1 15 . 1 1 90 90 SER N N 102 116.022 116.022 116.291 -0.269 17614 16889 1 15 . 1 1 90 90 SER C C 102 176.005 176.005 176.464 -0.459 17614 16890 1 15 . 1 1 90 90 SER CA C 102 62.791 62.791 61.880 0.911 17614 16891 1 15 . 1 1 90 90 SER CB C 102 64.211 64.211 63.117 1.094 17614 16892 1 15 . 1 1 90 90 SER H H 102 7.854 7.854 7.769 0.085 17614 16893 1 15 . 1 1 91 91 VAL N N 103 120.844 120.844 120.773 0.071 17614 16894 1 15 . 1 1 91 91 VAL C C 103 177.307 177.307 177.491 -0.184 17614 16895 1 15 . 1 1 91 91 VAL CA C 103 66.510 66.510 65.768 0.742 17614 16896 1 15 . 1 1 91 91 VAL CB C 103 31.965 31.965 31.385 0.580 17614 16897 1 15 . 1 1 91 91 VAL H H 103 7.926 7.926 7.700 0.226 17614 16898 1 15 . 1 1 92 92 LYS N N 104 120.468 120.468 119.411 1.057 17614 16899 1 15 . 1 1 92 92 LYS C C 104 178.861 178.861 179.113 -0.252 17614 16900 1 15 . 1 1 92 92 LYS CA C 104 60.184 60.184 59.116 1.068 17614 16901 1 15 . 1 1 92 92 LYS CB C 104 31.979 31.979 32.065 -0.086 17614 16902 1 15 . 1 1 92 92 LYS H H 104 8.127 8.127 7.982 0.145 17614 16903 1 15 . 1 1 93 93 GLN N N 105 118.386 118.386 117.377 1.009 17614 16904 1 15 . 1 1 93 93 GLN C C 105 177.540 177.540 178.159 -0.619 17614 16905 1 15 . 1 1 93 93 GLN CA C 105 58.786 58.786 57.879 0.907 17614 16906 1 15 . 1 1 93 93 GLN CB C 105 28.377 28.377 28.783 -0.406 17614 16907 1 15 . 1 1 93 93 GLN H H 105 7.841 7.841 8.077 -0.236 17614 16908 1 15 . 1 1 94 94 PHE N N 106 119.471 119.471 118.144 1.327 17614 16909 1 15 . 1 1 94 94 PHE C C 106 176.531 176.531 175.813 0.718 17614 16910 1 15 . 1 1 94 94 PHE CA C 106 60.593 60.593 60.872 -0.279 17614 16911 1 15 . 1 1 94 94 PHE CB C 106 39.459 39.459 39.894 -0.435 17614 16912 1 15 . 1 1 94 94 PHE H H 106 7.772 7.772 7.672 0.100 17614 16913 1 15 . 1 1 95 95 TYR N N 107 118.288 118.288 113.179 5.109 17614 16914 1 15 . 1 1 95 95 TYR C C 107 176.220 176.220 176.504 -0.284 17614 16915 1 15 . 1 1 95 95 TYR CA C 107 60.543 60.543 58.904 1.639 17614 16916 1 15 . 1 1 95 95 TYR CB C 107 38.819 38.819 40.089 -1.270 17614 16917 1 15 . 1 1 95 95 TYR H H 107 8.045 8.045 7.583 0.462 17614 16918 1 15 . 1 1 96 96 THR N N 108 113.383 113.383 112.844 0.539 17614 16919 1 15 . 1 1 96 96 THR C C 108 175.288 175.288 174.331 0.957 17614 16920 1 15 . 1 1 96 96 THR CA C 108 64.094 64.094 62.746 1.348 17614 16921 1 15 . 1 1 96 96 THR CB C 108 69.986 69.986 69.074 0.912 17614 16922 1 15 . 1 1 96 96 THR H H 108 7.868 7.868 7.580 0.288 17614 16923 1 15 . 1 1 101 101 HIS C C 113 173.413 173.413 174.094 -0.681 17614 16924 1 15 . 1 1 101 101 HIS H H 113 7.968 7.968 8.897 -0.929 17614 16925 1 15 . 1 1 102 102 ALA N N 114 119.456 119.456 125.154 -5.698 17614 16926 1 15 . 1 1 102 102 ALA C C 114 177.851 177.851 176.153 1.698 17614 16927 1 15 . 1 1 102 102 ALA CA C 114 53.283 53.283 52.066 1.217 17614 16928 1 15 . 1 1 102 102 ALA CB C 114 19.362 19.362 18.958 0.404 17614 16929 1 15 . 1 1 102 102 ALA H H 114 8.433 8.433 8.134 0.299 17614 16930 1 15 . 1 1 103 103 GLY N N 115 108.484 108.484 105.538 2.946 17614 16931 1 15 . 1 1 103 103 GLY C C 115 174.822 174.822 175.005 -0.183 17614 16932 1 15 . 1 1 103 103 GLY CA C 115 45.968 45.968 44.967 1.001 17614 16933 1 15 . 1 1 103 103 GLY H H 115 8.250 8.250 8.076 0.174 17614 16934 1 15 . 1 1 104 104 ILE N N 116 121.139 121.139 121.723 -0.584 17614 16935 1 15 . 1 1 104 104 ILE C C 116 176.841 176.841 177.838 -0.997 17614 16936 1 15 . 1 1 104 104 ILE CA C 116 63.160 63.160 63.166 -0.006 17614 16937 1 15 . 1 1 104 104 ILE CB C 116 38.853 38.853 37.287 1.566 17614 16938 1 15 . 1 1 104 104 ILE H H 116 8.127 8.127 8.100 0.027 17614 16939 1 15 . 1 1 105 105 GLY N N 117 110.863 110.863 107.214 3.649 17614 16940 1 15 . 1 1 105 105 GLY C C 117 174.588 174.588 176.477 -1.889 17614 16941 1 15 . 1 1 105 105 GLY CA C 117 46.791 46.791 47.324 -0.533 17614 16942 1 15 . 1 1 105 105 GLY H H 117 8.509 8.509 8.335 0.174 17614 16943 1 15 . 1 1 106 106 SER N N 118 116.069 116.069 117.398 -1.329 17614 16944 1 15 . 1 1 106 106 SER C C 118 175.754 175.754 176.320 -0.566 17614 16945 1 15 . 1 1 106 106 SER CA C 118 60.319 60.319 61.568 -1.249 17614 16946 1 15 . 1 1 106 106 SER CB C 118 63.864 63.864 62.924 0.940 17614 16947 1 15 . 1 1 106 106 SER H H 118 7.991 7.991 7.985 0.006 17614 16948 1 15 . 1 1 107 107 ARG N N 119 122.134 122.134 121.945 0.189 17614 16949 1 15 . 1 1 107 107 ARG C C 119 178.228 178.228 178.299 -0.071 17614 16950 1 15 . 1 1 107 107 ARG CA C 119 57.787 57.787 59.329 -1.542 17614 16951 1 15 . 1 1 107 107 ARG CB C 119 30.549 30.549 29.942 0.607 17614 16952 1 15 . 1 1 107 107 ARG H H 119 7.963 7.963 8.217 -0.254 17614 16953 1 15 . 1 1 108 108 LEU N N 120 120.403 120.403 120.393 0.010 17614 16954 1 15 . 1 1 108 108 LEU C C 120 177.230 177.230 179.109 -1.879 17614 16955 1 15 . 1 1 108 108 LEU CA C 120 57.967 57.967 58.088 -0.121 17614 16956 1 15 . 1 1 108 108 LEU CB C 120 42.146 42.146 41.225 0.921 17614 16957 1 15 . 1 1 108 108 LEU H H 120 7.914 7.914 7.572 0.342 17614 16958 1 15 . 1 1 109 109 LEU N N 121 118.960 118.960 119.717 -0.757 17614 16959 1 15 . 1 1 109 109 LEU C C 121 177.152 177.152 179.180 -2.028 17614 16960 1 15 . 1 1 109 109 LEU CA C 121 55.495 55.495 58.288 -2.792 17614 16961 1 15 . 1 1 109 109 LEU CB C 121 42.238 42.238 41.251 0.987 17614 16962 1 15 . 1 1 109 109 LEU H H 121 7.718 7.718 8.339 -0.621 17614 16963 1 15 . 1 1 110 110 ALA N N 122 123.063 123.063 121.333 1.730 17614 16964 1 15 . 1 1 110 110 ALA C C 122 178.317 178.317 179.771 -1.454 17614 16965 1 15 . 1 1 110 110 ALA CA C 122 53.358 53.358 55.471 -2.114 17614 16966 1 15 . 1 1 110 110 ALA CB C 122 19.218 19.218 17.955 1.263 17614 16967 1 15 . 1 1 110 110 ALA H H 122 7.745 7.745 8.786 -1.041 17614 16968 1 15 . 1 1 111 111 GLY N N 123 107.843 107.843 106.300 1.543 17614 16969 1 15 . 1 1 111 111 GLY C C 123 176.912 176.912 176.423 0.489 17614 16970 1 15 . 1 1 111 111 GLY CA C 123 45.943 45.943 46.698 -0.755 17614 16971 1 15 . 1 1 111 111 GLY H H 123 8.113 8.113 8.501 -0.388 17614 16972 1 15 . 1 1 112 112 SER N N 124 116.105 116.105 118.152 -2.047 17614 16973 1 15 . 1 1 112 112 SER C C 124 175.574 175.574 176.827 -1.253 17614 16974 1 15 . 1 1 112 112 SER CA C 124 59.145 59.145 61.679 -2.534 17614 16975 1 15 . 1 1 112 112 SER CB C 124 64.211 64.211 63.270 0.941 17614 16976 1 15 . 1 1 112 112 SER H H 124 8.109 8.109 8.400 -0.291 17614 16977 1 15 . 1 1 113 113 THR N N 125 116.069 116.069 118.375 -2.306 17614 16978 1 15 . 1 1 113 113 THR C C 125 176.055 176.055 176.595 -0.540 17614 16979 1 15 . 1 1 113 113 THR CA C 125 66.921 66.921 66.376 0.545 17614 16980 1 15 . 1 1 113 113 THR CB C 125 69.682 69.682 68.788 0.894 17614 16981 1 15 . 1 1 113 113 THR H H 125 8.086 8.086 8.162 -0.076 17614 16982 1 15 . 1 1 114 114 THR N N 126 115.439 115.439 117.438 -1.999 17614 16983 1 15 . 1 1 114 114 THR C C 126 177.443 177.443 176.546 0.897 17614 16984 1 15 . 1 1 114 114 THR CA C 126 65.285 65.285 66.361 -1.076 17614 16985 1 15 . 1 1 114 114 THR CB C 126 68.364 68.364 68.304 0.060 17614 16986 1 15 . 1 1 114 114 THR H H 126 7.977 7.977 8.325 -0.348 17614 16987 1 15 . 1 1 115 115 GLY N N 127 115.453 115.453 108.113 7.340 17614 16988 1 15 . 1 1 115 115 GLY C C 127 174.215 174.215 175.152 -0.937 17614 16989 1 15 . 1 1 115 115 GLY CA C 127 46.117 46.117 46.841 -0.724 17614 16990 1 15 . 1 1 115 115 GLY H H 127 8.168 8.168 7.937 0.231 17614 16991 1 15 . 1 1 116 116 ALA N N 128 123.952 123.952 124.203 -0.251 17614 16992 1 15 . 1 1 116 116 ALA C C 128 178.162 178.162 179.119 -0.957 17614 16993 1 15 . 1 1 116 116 ALA CA C 128 53.349 53.349 54.816 -1.467 17614 16994 1 15 . 1 1 116 116 ALA CB C 128 19.099 19.099 18.511 0.588 17614 16995 1 15 . 1 1 116 116 ALA H H 128 7.919 7.919 7.423 0.496 17614 16996 1 15 . 1 1 117 117 LEU N N 129 120.025 120.025 119.169 0.856 17614 16997 1 15 . 1 1 117 117 LEU C C 129 177.949 177.949 178.809 -0.860 17614 16998 1 15 . 1 1 117 117 LEU CA C 129 56.019 56.019 57.036 -1.017 17614 16999 1 15 . 1 1 117 117 LEU CB C 129 42.340 42.340 40.829 1.511 17614 17000 1 15 . 1 1 117 117 LEU H H 129 7.936 7.936 7.456 0.480 17614 17001 1 15 . 1 1 118 118 ALA N N 130 123.402 123.402 121.555 1.847 17614 17002 1 15 . 1 1 118 118 ALA C C 130 177.929 177.929 179.647 -1.718 17614 17003 1 15 . 1 1 118 118 ALA CA C 130 53.283 53.283 54.919 -1.636 17614 17004 1 15 . 1 1 118 118 ALA CB C 130 18.964 18.964 18.278 0.686 17614 17005 1 15 . 1 1 118 118 ALA H H 130 7.868 7.868 8.002 -0.134 17614 17006 1 15 . 1 1 119 119 VAL N N 131 118.111 118.111 117.382 0.729 17614 17007 1 15 . 1 1 119 119 VAL C C 131 176.025 176.025 177.843 -1.818 17614 17008 1 15 . 1 1 119 119 VAL CA C 131 63.180 63.180 65.502 -2.322 17614 17009 1 15 . 1 1 119 119 VAL CB C 131 32.898 32.898 30.620 2.278 17614 17010 1 15 . 1 1 119 119 VAL H H 131 7.636 7.636 7.902 -0.266 17614 17011 1 15 . 1 1 120 120 ALA N N 132 124.047 124.047 121.912 2.135 17614 17012 1 15 . 1 1 120 120 ALA C C 132 179.008 179.008 178.964 0.044 17614 17013 1 15 . 1 1 120 120 ALA CA C 132 53.707 53.707 54.700 -0.993 17614 17014 1 15 . 1 1 120 120 ALA CB C 132 19.150 19.150 18.833 0.317 17614 17015 1 15 . 1 1 120 120 ALA H H 132 7.911 7.911 7.571 0.340 17614 17016 1 15 . 1 1 121 121 VAL N N 133 113.349 113.349 118.159 -4.810 17614 17017 1 15 . 1 1 121 121 VAL C C 133 175.527 175.527 176.402 -0.875 17614 17018 1 15 . 1 1 121 121 VAL CA C 133 64.115 64.115 64.250 -0.135 17614 17019 1 15 . 1 1 121 121 VAL CB C 133 31.832 31.832 32.483 -0.650 17614 17020 1 15 . 1 1 121 121 VAL H H 133 7.094 7.094 7.460 -0.366 17614 17021 1 15 . 1 1 122 122 ALA N N 134 123.224 123.224 120.368 2.856 17614 17022 1 15 . 1 1 122 122 ALA CA C 134 55.493 55.493 51.665 3.828 17614 17023 1 15 . 1 1 122 122 ALA H H 134 7.586 7.586 7.504 0.082 17614 17024 1 15 . 1 1 124 124 PRO C C 136 177.074 177.074 178.517 -1.443 17614 17025 1 15 . 1 1 125 125 THR N N 137 113.281 113.281 108.800 4.481 17614 17026 1 15 . 1 1 125 125 THR C C 137 174.485 174.485 175.973 -1.488 17614 17027 1 15 . 1 1 125 125 THR CA C 137 64.496 64.496 65.708 -1.212 17614 17028 1 15 . 1 1 125 125 THR CB C 137 69.997 69.997 68.130 1.867 17614 17029 1 15 . 1 1 125 125 THR H H 137 7.963 7.963 8.426 -0.463 17614 17030 1 15 . 1 1 126 126 ASP N N 138 122.770 122.770 122.570 0.200 17614 17031 1 15 . 1 1 126 126 ASP C C 138 178.458 178.458 178.583 -0.125 17614 17032 1 15 . 1 1 126 126 ASP CA C 138 56.776 56.776 57.169 -0.393 17614 17033 1 15 . 1 1 126 126 ASP CB C 138 41.023 41.023 40.342 0.681 17614 17034 1 15 . 1 1 126 126 ASP H H 138 8.094 8.094 7.734 0.360 17614 17035 1 15 . 1 1 127 127 VAL N N 139 119.931 119.931 117.846 2.085 17614 17036 1 15 . 1 1 127 127 VAL C C 139 177.502 177.502 177.814 -0.312 17614 17037 1 15 . 1 1 127 127 VAL CA C 139 66.455 66.455 65.893 0.562 17614 17038 1 15 . 1 1 127 127 VAL CB C 139 32.804 32.804 31.283 1.521 17614 17039 1 15 . 1 1 127 127 VAL H H 139 7.753 7.753 7.570 0.183 17614 17040 1 15 . 1 1 128 128 VAL N N 140 120.539 120.539 121.106 -0.567 17614 17041 1 15 . 1 1 128 128 VAL C C 140 176.232 176.232 178.361 -2.129 17614 17042 1 15 . 1 1 128 128 VAL CA C 140 66.770 66.770 66.695 0.075 17614 17043 1 15 . 1 1 128 128 VAL CB C 140 32.086 32.086 30.837 1.249 17614 17044 1 15 . 1 1 128 128 VAL H H 140 8.295 8.295 7.709 0.586 17614 17045 1 15 . 1 1 129 129 LYS N N 141 120.122 120.122 119.274 0.848 17614 17046 1 15 . 1 1 129 129 LYS C C 141 176.120 176.120 179.003 -2.883 17614 17047 1 15 . 1 1 129 129 LYS CA C 141 55.991 55.991 60.218 -4.228 17614 17048 1 15 . 1 1 129 129 LYS CB C 141 31.712 31.712 32.233 -0.521 17614 17049 1 15 . 1 1 129 129 LYS H H 141 7.698 7.698 7.701 -0.003 17614 17050 1 15 . 1 1 130 130 VAL N N 142 120.104 120.104 119.710 0.394 17614 17051 1 15 . 1 1 130 130 VAL CA C 142 63.230 63.230 65.567 -2.337 17614 17052 1 15 . 1 1 130 130 VAL H H 142 7.772 7.772 7.450 0.322 17614 17053 1 15 . 1 1 131 131 ARG C C 143 178.401 178.401 178.567 -0.166 17614 17054 1 15 . 1 1 131 131 ARG H H 143 7.999 7.999 7.674 0.325 17614 17055 1 15 . 1 1 132 132 PHE N N 144 120.445 120.445 119.187 1.258 17614 17056 1 15 . 1 1 132 132 PHE C C 144 177.856 177.856 176.696 1.160 17614 17057 1 15 . 1 1 132 132 PHE CA C 144 61.438 61.438 60.794 0.644 17614 17058 1 15 . 1 1 132 132 PHE H H 144 8.395 8.395 8.570 -0.175 17614 17059 1 15 . 1 1 133 133 GLN N N 145 124.180 124.180 117.963 6.217 17614 17060 1 15 . 1 1 133 133 GLN C C 145 174.844 174.844 177.403 -2.559 17614 17061 1 15 . 1 1 133 133 GLN CA C 145 56.414 56.414 58.174 -1.760 17614 17062 1 15 . 1 1 133 133 GLN CB C 145 30.721 30.721 29.107 1.614 17614 17063 1 15 . 1 1 133 133 GLN H H 145 8.094 8.094 7.832 0.262 17614 17064 1 15 . 1 1 134 134 ALA N N 146 120.452 120.452 120.318 0.134 17614 17065 1 15 . 1 1 134 134 ALA C C 146 177.929 177.929 177.568 0.361 17614 17066 1 15 . 1 1 134 134 ALA CA C 146 53.483 53.483 53.294 0.190 17614 17067 1 15 . 1 1 134 134 ALA CB C 146 18.431 18.431 18.899 -0.468 17614 17068 1 15 . 1 1 134 134 ALA H H 146 7.939 7.939 7.408 0.531 17614 17069 1 15 . 1 1 135 135 GLN N N 147 119.388 119.388 118.371 1.017 17614 17070 1 15 . 1 1 135 135 GLN C C 147 176.029 176.029 174.896 1.133 17614 17071 1 15 . 1 1 135 135 GLN CA C 147 56.339 56.339 56.169 0.170 17614 17072 1 15 . 1 1 135 135 GLN CB C 147 29.444 29.444 28.504 0.940 17614 17073 1 15 . 1 1 135 135 GLN H H 147 8.072 8.072 7.505 0.567 17614 17074 1 15 . 1 1 136 136 ALA N N 148 125.199 125.199 128.838 -3.639 17614 17075 1 15 . 1 1 136 136 ALA C C 148 177.766 177.766 177.720 0.046 17614 17076 1 15 . 1 1 136 136 ALA CA C 148 53.108 53.108 52.475 0.633 17614 17077 1 15 . 1 1 136 136 ALA CB C 148 19.151 19.151 19.562 -0.411 17614 17078 1 15 . 1 1 136 136 ALA H H 148 8.055 8.055 8.292 -0.237 17614 17079 1 15 . 1 1 137 137 ARG N N 149 120.208 120.208 119.634 0.574 17614 17080 1 15 . 1 1 137 137 ARG CA C 149 56.414 56.414 55.282 1.132 17614 17081 1 15 . 1 1 137 137 ARG CB C 149 30.749 30.749 31.125 -0.376 17614 17082 1 15 . 1 1 137 137 ARG H H 149 8.018 8.018 8.052 -0.034 17614 17083 1 15 . 1 1 147 147 THR C C 159 175.928 175.928 176.629 -0.701 17614 17084 1 15 . 1 1 148 148 VAL N N 160 118.321 118.321 120.517 -2.196 17614 17085 1 15 . 1 1 148 148 VAL C C 160 177.749 177.749 176.995 0.754 17614 17086 1 15 . 1 1 148 148 VAL CA C 160 64.126 64.126 65.397 -1.271 17614 17087 1 15 . 1 1 148 148 VAL CB C 160 31.343 31.343 31.675 -0.332 17614 17088 1 15 . 1 1 148 148 VAL H H 160 8.073 8.073 7.972 0.101 17614 17089 1 15 . 1 1 149 149 GLU N N 161 122.379 122.379 119.886 2.493 17614 17090 1 15 . 1 1 149 149 GLU C C 161 178.783 178.783 178.567 0.216 17614 17091 1 15 . 1 1 149 149 GLU CA C 161 59.550 59.550 59.330 0.220 17614 17092 1 15 . 1 1 149 149 GLU CB C 161 29.597 29.597 29.691 -0.094 17614 17093 1 15 . 1 1 149 149 GLU H H 161 8.204 8.204 7.640 0.564 17614 17094 1 15 . 1 1 150 150 ALA N N 162 122.845 122.845 121.983 0.862 17614 17095 1 15 . 1 1 150 150 ALA C C 162 179.948 179.948 179.539 0.409 17614 17096 1 15 . 1 1 150 150 ALA CA C 162 55.181 55.181 55.149 0.032 17614 17097 1 15 . 1 1 150 150 ALA CB C 162 18.154 18.154 18.191 -0.037 17614 17098 1 15 . 1 1 150 150 ALA H H 162 7.786 7.786 8.622 -0.836 17614 17099 1 15 . 1 1 151 151 TYR N N 163 118.902 118.902 119.807 -0.905 17614 17100 1 15 . 1 1 151 151 TYR C C 163 177.273 177.273 177.518 -0.245 17614 17101 1 15 . 1 1 151 151 TYR CA C 163 61.068 61.068 61.806 -0.738 17614 17102 1 15 . 1 1 151 151 TYR CB C 163 37.898 37.898 38.845 -0.947 17614 17103 1 15 . 1 1 151 151 TYR H H 163 7.922 7.922 7.973 -0.051 17614 17104 1 15 . 1 1 152 152 LYS N N 164 119.939 119.939 117.686 2.253 17614 17105 1 15 . 1 1 152 152 LYS C C 164 178.239 178.239 178.961 -0.722 17614 17106 1 15 . 1 1 152 152 LYS CA C 164 60.309 60.309 59.411 0.898 17614 17107 1 15 . 1 1 152 152 LYS CB C 164 32.504 32.504 32.152 0.352 17614 17108 1 15 . 1 1 152 152 LYS H H 164 8.223 8.223 7.670 0.553 17614 17109 1 15 . 1 1 153 153 THR N N 165 115.262 115.262 117.223 -1.961 17614 17110 1 15 . 1 1 153 153 THR C C 165 175.676 175.676 176.555 -0.879 17614 17111 1 15 . 1 1 153 153 THR CA C 165 66.516 66.516 66.880 -0.364 17614 17112 1 15 . 1 1 153 153 THR CB C 165 69.367 69.367 68.539 0.828 17614 17113 1 15 . 1 1 153 153 THR H H 165 7.745 7.745 8.061 -0.316 17614 17114 1 15 . 1 1 154 154 ILE N N 166 121.571 121.571 120.869 0.702 17614 17115 1 15 . 1 1 154 154 ILE C C 166 177.307 177.307 176.907 0.400 17614 17116 1 15 . 1 1 154 154 ILE CA C 166 64.634 64.634 62.172 2.462 17614 17117 1 15 . 1 1 154 154 ILE CB C 166 38.896 38.896 37.019 1.877 17614 17118 1 15 . 1 1 154 154 ILE H H 166 7.540 7.540 7.413 0.127 17614 17119 1 15 . 1 1 155 155 ALA N N 167 121.983 121.983 122.502 -0.519 17614 17120 1 15 . 1 1 155 155 ALA C C 167 178.395 178.395 180.218 -1.823 17614 17121 1 15 . 1 1 155 155 ALA CA C 167 54.656 54.656 54.644 0.012 17614 17122 1 15 . 1 1 155 155 ALA CB C 167 18.486 18.486 18.023 0.463 17614 17123 1 15 . 1 1 155 155 ALA H H 167 8.059 8.059 7.606 0.453 17614 17124 1 15 . 1 1 156 156 ARG N N 168 116.369 116.369 119.411 -3.042 17614 17125 1 15 . 1 1 156 156 ARG C C 168 177.307 177.307 178.289 -0.982 17614 17126 1 15 . 1 1 156 156 ARG CA C 168 58.486 58.486 58.921 -0.435 17614 17127 1 15 . 1 1 156 156 ARG CB C 168 30.930 30.930 30.064 0.866 17614 17128 1 15 . 1 1 156 156 ARG H H 168 7.690 7.690 7.729 -0.039 17614 17129 1 15 . 1 1 157 157 GLU N N 169 118.667 118.667 117.727 0.940 17614 17130 1 15 . 1 1 157 157 GLU C C 169 177.696 177.696 177.861 -0.165 17614 17131 1 15 . 1 1 157 157 GLU CA C 169 58.212 58.212 58.270 -0.058 17614 17132 1 15 . 1 1 157 157 GLU CB C 169 30.357 30.357 29.900 0.457 17614 17133 1 15 . 1 1 157 157 GLU H H 169 8.045 8.045 7.666 0.379 17614 17134 1 15 . 1 1 158 158 GLU N N 170 118.202 118.202 117.599 0.603 17614 17135 1 15 . 1 1 158 158 GLU C C 170 177.878 177.878 176.745 1.133 17614 17136 1 15 . 1 1 158 158 GLU CA C 170 57.363 57.363 56.636 0.727 17614 17137 1 15 . 1 1 158 158 GLU CB C 170 31.277 31.277 31.067 0.210 17614 17138 1 15 . 1 1 158 158 GLU H H 170 8.550 8.550 8.146 0.404 17614 17139 1 15 . 1 1 159 159 GLY N N 171 108.941 108.941 106.960 1.981 17614 17140 1 15 . 1 1 159 159 GLY C C 171 174.433 174.433 175.045 -0.612 17614 17141 1 15 . 1 1 159 159 GLY CA C 171 45.193 45.193 44.493 0.700 17614 17142 1 15 . 1 1 159 159 GLY H H 171 7.881 7.881 7.595 0.286 17614 17143 1 15 . 1 1 160 160 ILE N N 172 120.842 120.842 116.489 4.353 17614 17144 1 15 . 1 1 160 160 ILE C C 172 176.997 176.997 177.171 -0.174 17614 17145 1 15 . 1 1 160 160 ILE CA C 172 63.810 63.810 63.652 0.158 17614 17146 1 15 . 1 1 160 160 ILE CB C 172 38.516 38.516 37.691 0.825 17614 17147 1 15 . 1 1 160 160 ILE H H 172 8.550 8.550 8.198 0.352 17614 17148 1 15 . 1 1 161 161 ARG N N 173 119.480 119.480 121.268 -1.788 17614 17149 1 15 . 1 1 161 161 ARG C C 173 178.084 178.084 178.605 -0.521 17614 17150 1 15 . 1 1 161 161 ARG CA C 173 58.711 58.711 59.060 -0.349 17614 17151 1 15 . 1 1 161 161 ARG CB C 173 29.796 29.796 29.296 0.500 17614 17152 1 15 . 1 1 161 161 ARG H H 173 8.277 8.277 8.289 -0.012 17614 17153 1 15 . 1 1 162 162 GLY N N 174 106.379 106.379 105.945 0.434 17614 17154 1 15 . 1 1 162 162 GLY C C 174 175.210 175.210 176.460 -1.250 17614 17155 1 15 . 1 1 162 162 GLY CA C 174 46.767 46.767 46.628 0.139 17614 17156 1 15 . 1 1 162 162 GLY H H 174 7.690 7.690 8.039 -0.349 17614 17157 1 15 . 1 1 163 163 LEU N N 175 120.664 120.664 121.681 -1.017 17614 17158 1 15 . 1 1 163 163 LEU C C 175 177.971 177.971 179.399 -1.428 17614 17159 1 15 . 1 1 163 163 LEU CA C 175 57.104 57.104 57.230 -0.126 17614 17160 1 15 . 1 1 163 163 LEU CB C 175 42.559 42.559 42.294 0.265 17614 17161 1 15 . 1 1 163 163 LEU H H 175 7.554 7.554 7.229 0.325 17614 17162 1 15 . 1 1 164 164 TRP N N 176 117.031 117.031 118.221 -1.190 17614 17163 1 15 . 1 1 164 164 TRP C C 176 176.987 176.987 178.569 -1.582 17614 17164 1 15 . 1 1 164 164 TRP CA C 176 57.672 57.672 57.280 0.392 17614 17165 1 15 . 1 1 164 164 TRP CB C 176 29.796 29.796 28.493 1.303 17614 17166 1 15 . 1 1 164 164 TRP H H 176 7.499 7.499 8.274 -0.775 17614 17167 1 15 . 1 1 165 165 LYS N N 177 120.567 120.567 121.507 -0.940 17614 17168 1 15 . 1 1 165 165 LYS C C 177 177.152 177.152 178.651 -1.499 17614 17169 1 15 . 1 1 165 165 LYS CA C 177 57.712 57.712 59.870 -2.158 17614 17170 1 15 . 1 1 165 165 LYS CB C 177 32.890 32.890 32.071 0.819 17614 17171 1 15 . 1 1 165 165 LYS H H 177 7.595 7.595 7.523 0.072 17614 17172 1 15 . 1 1 166 166 GLY N N 178 108.667 108.667 104.479 4.188 17614 17173 1 15 . 1 1 166 166 GLY C C 178 174.045 174.045 175.481 -1.436 17614 17174 1 15 . 1 1 166 166 GLY CA C 178 45.893 45.893 45.848 0.045 17614 17175 1 15 . 1 1 166 166 GLY H H 178 7.881 7.881 8.280 -0.399 17614 17176 1 15 . 1 1 167 167 THR N N 179 115.080 115.080 119.287 -4.207 17614 17177 1 15 . 1 1 167 167 THR C C 179 175.192 175.192 176.496 -1.304 17614 17178 1 15 . 1 1 167 167 THR CA C 179 66.521 66.521 67.297 -0.776 17614 17179 1 15 . 1 1 167 167 THR CB C 179 70.079 70.079 68.441 1.638 17614 17180 1 15 . 1 1 167 167 THR H H 179 7.622 7.622 8.090 -0.468 17614 17181 1 15 . 1 1 168 168 SER N N 180 117.754 117.754 116.472 1.282 17614 17182 1 15 . 1 1 168 168 SER CA C 180 63.123 63.123 62.965 0.158 17614 17183 1 15 . 1 1 168 168 SER CB C 180 62.045 62.045 62.049 -0.004 17614 17184 1 15 . 1 1 168 168 SER H H 180 8.195 8.195 8.002 0.193 17614 17185 1 15 . 1 1 170 170 ASN C C 182 177.348 177.348 177.473 -0.125 17614 17186 1 15 . 1 1 171 171 VAL N N 183 118.118 118.118 121.212 -3.094 17614 17187 1 15 . 1 1 171 171 VAL C C 183 176.944 176.944 177.489 -0.545 17614 17188 1 15 . 1 1 171 171 VAL CA C 183 65.244 65.244 66.326 -1.082 17614 17189 1 15 . 1 1 171 171 VAL CB C 183 32.508 32.508 31.667 0.841 17614 17190 1 15 . 1 1 171 171 VAL H H 183 7.861 7.861 7.621 0.240 17614 17191 1 15 . 1 1 172 172 ALA N N 184 122.284 122.284 121.818 0.466 17614 17192 1 15 . 1 1 172 172 ALA C C 184 178.317 178.317 179.499 -1.182 17614 17193 1 15 . 1 1 172 172 ALA CA C 184 55.339 55.339 55.322 0.017 17614 17194 1 15 . 1 1 172 172 ALA CB C 184 28.230 28.230 18.139 10.091 17614 17195 1 15 . 1 1 172 172 ALA H H 184 8.097 8.097 7.949 0.148 17614 17196 1 15 . 1 1 173 173 ARG N N 185 117.321 117.321 118.548 -1.227 17614 17197 1 15 . 1 1 173 173 ARG C C 185 177.527 177.527 178.609 -1.082 17614 17198 1 15 . 1 1 173 173 ARG CA C 185 59.543 59.543 59.496 0.047 17614 17199 1 15 . 1 1 173 173 ARG CB C 185 29.767 29.767 29.871 -0.104 17614 17200 1 15 . 1 1 173 173 ARG H H 185 7.611 7.611 8.238 -0.627 17614 17201 1 15 . 1 1 174 174 ASN N N 186 117.294 117.294 117.880 -0.586 17614 17202 1 15 . 1 1 174 174 ASN C C 186 176.599 176.599 177.115 -0.516 17614 17203 1 15 . 1 1 174 174 ASN CA C 186 56.659 56.659 56.249 0.410 17614 17204 1 15 . 1 1 174 174 ASN CB C 186 39.454 39.454 38.208 1.246 17614 17205 1 15 . 1 1 174 174 ASN H H 186 8.048 8.048 7.720 0.328 17614 17206 1 15 . 1 1 175 175 ALA N N 187 121.003 121.003 122.708 -1.705 17614 17207 1 15 . 1 1 175 175 ALA C C 187 178.713 178.713 179.871 -1.158 17614 17208 1 15 . 1 1 175 175 ALA CA C 187 55.520 55.520 55.048 0.472 17614 17209 1 15 . 1 1 175 175 ALA CB C 187 18.097 18.097 18.731 -0.634 17614 17210 1 15 . 1 1 175 175 ALA H H 187 7.322 7.322 7.688 -0.366 17614 17211 1 15 . 1 1 176 176 ILE N N 188 119.319 119.319 119.492 -0.173 17614 17212 1 15 . 1 1 176 176 ILE C C 188 176.634 176.634 177.876 -1.242 17614 17213 1 15 . 1 1 176 176 ILE CA C 188 64.225 64.225 64.742 -0.517 17614 17214 1 15 . 1 1 176 176 ILE CB C 188 37.658 37.658 37.844 -0.186 17614 17215 1 15 . 1 1 176 176 ILE H H 188 7.779 7.779 8.446 -0.667 17614 17216 1 15 . 1 1 177 177 VAL N N 189 117.265 117.265 119.120 -1.855 17614 17217 1 15 . 1 1 177 177 VAL C C 189 177.529 177.529 177.637 -0.108 17614 17218 1 15 . 1 1 177 177 VAL CA C 189 65.562 65.562 66.902 -1.340 17614 17219 1 15 . 1 1 177 177 VAL CB C 189 31.407 31.407 30.848 0.559 17614 17220 1 15 . 1 1 177 177 VAL H H 189 7.776 7.776 7.851 -0.075 17614 17221 1 15 . 1 1 178 178 ASN N N 190 118.736 118.736 118.454 0.282 17614 17222 1 15 . 1 1 178 178 ASN C C 190 176.476 176.476 177.560 -1.084 17614 17223 1 15 . 1 1 178 178 ASN CA C 190 56.813 56.813 57.249 -0.437 17614 17224 1 15 . 1 1 178 178 ASN CB C 190 38.268 38.268 38.324 -0.056 17614 17225 1 15 . 1 1 178 178 ASN H H 190 7.800 7.800 7.706 0.094 17614 17226 1 15 . 1 1 179 179 CYS N N 191 120.152 120.152 120.099 0.053 17614 17227 1 15 . 1 1 179 179 CYS C C 191 175.831 175.831 176.543 -0.712 17614 17228 1 15 . 1 1 179 179 CYS CA C 191 60.293 60.293 62.782 -2.490 17614 17229 1 15 . 1 1 179 179 CYS CB C 191 41.566 41.566 26.615 14.951 17614 17230 1 15 . 1 1 179 179 CYS H H 191 7.784 7.784 7.984 -0.200 17614 17231 1 15 . 1 1 180 180 ALA N N 192 121.963 121.963 122.380 -0.417 17614 17232 1 15 . 1 1 180 180 ALA C C 192 178.395 178.395 179.405 -1.010 17614 17233 1 15 . 1 1 180 180 ALA CA C 192 55.280 55.280 55.206 0.074 17614 17234 1 15 . 1 1 180 180 ALA CB C 192 18.008 18.008 17.992 0.016 17614 17235 1 15 . 1 1 180 180 ALA H H 192 8.141 8.141 8.859 -0.718 17614 17236 1 15 . 1 1 181 181 GLU N N 193 114.548 114.548 120.170 -5.622 17614 17237 1 15 . 1 1 181 181 GLU C C 193 176.764 176.764 178.821 -2.057 17614 17238 1 15 . 1 1 181 181 GLU CA C 193 58.262 58.262 59.337 -1.075 17614 17239 1 15 . 1 1 181 181 GLU CB C 193 29.342 29.342 29.704 -0.362 17614 17240 1 15 . 1 1 181 181 GLU H H 193 7.595 7.595 8.467 -0.872 17614 17241 1 15 . 1 1 182 182 LEU N N 194 117.659 117.659 120.565 -2.906 17614 17242 1 15 . 1 1 182 182 LEU C C 194 176.904 176.904 179.415 -2.511 17614 17243 1 15 . 1 1 182 182 LEU CA C 194 55.695 55.695 57.794 -2.099 17614 17244 1 15 . 1 1 182 182 LEU CB C 194 41.655 41.655 41.391 0.264 17614 17245 1 15 . 1 1 182 182 LEU H H 194 7.459 7.459 7.950 -0.491 17614 17246 1 15 . 1 1 183 183 VAL N N 195 117.842 117.842 118.387 -0.545 17614 17247 1 15 . 1 1 183 183 VAL C C 195 177.150 177.150 178.370 -1.220 17614 17248 1 15 . 1 1 183 183 VAL CA C 195 64.054 64.054 66.975 -2.921 17614 17249 1 15 . 1 1 183 183 VAL CB C 195 31.079 31.079 31.163 -0.083 17614 17250 1 15 . 1 1 183 183 VAL H H 195 7.363 7.363 7.545 -0.182 17614 17251 1 15 . 1 1 184 184 THR N N 196 122.439 122.439 115.343 7.096 17614 17252 1 15 . 1 1 184 184 THR C C 196 175.055 175.055 176.581 -1.526 17614 17253 1 15 . 1 1 184 184 THR CA C 196 65.500 65.500 66.374 -0.874 17614 17254 1 15 . 1 1 184 184 THR CB C 196 69.490 69.490 68.927 0.562 17614 17255 1 15 . 1 1 184 184 THR H H 196 7.940 7.940 7.640 0.300 17614 17256 1 15 . 1 1 185 185 TYR N N 197 122.430 122.430 122.010 0.420 17614 17257 1 15 . 1 1 185 185 TYR C C 197 177.152 177.152 177.166 -0.014 17614 17258 1 15 . 1 1 185 185 TYR CA C 197 61.892 61.892 61.696 0.196 17614 17259 1 15 . 1 1 185 185 TYR CB C 197 38.085 38.085 38.537 -0.452 17614 17260 1 15 . 1 1 185 185 TYR H H 197 9.123 9.123 8.617 0.506 17614 17261 1 15 . 1 1 186 186 ASP N N 198 117.750 117.750 119.427 -1.677 17614 17262 1 15 . 1 1 186 186 ASP C C 198 177.696 177.696 178.355 -0.659 17614 17263 1 15 . 1 1 186 186 ASP CA C 198 57.822 57.822 57.733 0.089 17614 17264 1 15 . 1 1 186 186 ASP CB C 198 40.500 40.500 40.603 -0.103 17614 17265 1 15 . 1 1 186 186 ASP H H 198 8.263 8.263 8.112 0.151 17614 17266 1 15 . 1 1 187 187 LEU N N 199 120.698 120.698 117.960 2.738 17614 17267 1 15 . 1 1 187 187 LEU C C 199 180.104 180.104 179.271 0.833 17614 17268 1 15 . 1 1 187 187 LEU CA C 199 58.092 58.092 57.279 0.813 17614 17269 1 15 . 1 1 187 187 LEU CB C 199 42.559 42.559 41.837 0.722 17614 17270 1 15 . 1 1 187 187 LEU H H 199 7.636 7.636 7.352 0.284 17614 17271 1 15 . 1 1 188 188 ILE N N 200 121.136 121.136 118.488 2.648 17614 17272 1 15 . 1 1 188 188 ILE C C 200 176.919 176.919 178.353 -1.434 17614 17273 1 15 . 1 1 188 188 ILE CA C 200 65.482 65.482 64.618 0.864 17614 17274 1 15 . 1 1 188 188 ILE CB C 200 37.949 37.949 37.477 0.471 17614 17275 1 15 . 1 1 188 188 ILE H H 200 7.718 7.718 7.454 0.264 17614 17276 1 15 . 1 1 189 189 LYS N N 201 120.587 120.587 120.045 0.542 17614 17277 1 15 . 1 1 189 189 LYS C C 201 177.696 177.696 178.142 -0.446 17614 17278 1 15 . 1 1 189 189 LYS CA C 201 60.683 60.683 59.459 1.224 17614 17279 1 15 . 1 1 189 189 LYS CB C 201 31.809 31.809 31.893 -0.084 17614 17280 1 15 . 1 1 189 189 LYS H H 201 8.291 8.291 7.941 0.350 17614 17281 1 15 . 1 1 190 190 ASP N N 202 117.936 117.936 117.658 0.278 17614 17282 1 15 . 1 1 190 190 ASP C C 202 178.395 178.395 177.068 1.327 17614 17283 1 15 . 1 1 190 190 ASP CA C 202 57.672 57.672 56.018 1.654 17614 17284 1 15 . 1 1 190 190 ASP CB C 202 41.355 41.355 40.795 0.560 17614 17285 1 15 . 1 1 190 190 ASP H H 202 8.182 8.182 7.691 0.491 17614 17286 1 15 . 1 1 191 191 THR N N 203 115.914 115.914 114.302 1.612 17614 17287 1 15 . 1 1 191 191 THR CA C 203 61.190 61.190 62.310 -1.120 17614 17288 1 15 . 1 1 191 191 THR CB C 203 68.738 68.738 69.663 -0.925 17614 17289 1 15 . 1 1 191 191 THR H H 203 7.690 7.690 7.500 0.190 17614 17290 1 15 . 1 1 192 192 LEU C C 204 176.047 176.047 176.559 -0.512 17614 17291 1 15 . 1 1 192 192 LEU H H 204 8.051 8.051 8.785 -0.734 17614 17292 1 15 . 1 1 193 193 LEU N N 205 118.768 118.768 114.716 4.052 17614 17293 1 15 . 1 1 193 193 LEU C C 205 179.871 179.871 177.325 2.546 17614 17294 1 15 . 1 1 193 193 LEU CA C 205 55.867 55.867 54.093 1.774 17614 17295 1 15 . 1 1 193 193 LEU CB C 205 41.887 41.887 41.451 0.436 17614 17296 1 15 . 1 1 193 193 LEU H H 205 7.977 7.977 7.981 -0.004 17614 17297 1 15 . 1 1 194 194 LYS N N 206 119.775 119.775 121.046 -1.271 17614 17298 1 15 . 1 1 194 194 LYS C C 206 177.318 177.318 176.869 0.449 17614 17299 1 15 . 1 1 194 194 LYS CA C 206 58.461 58.461 58.292 0.169 17614 17300 1 15 . 1 1 194 194 LYS CB C 206 32.734 32.734 32.365 0.369 17614 17301 1 15 . 1 1 194 194 LYS H H 206 7.677 7.677 8.469 -0.792 17614 17302 1 15 . 1 1 195 195 ALA N N 207 120.757 120.757 119.764 0.993 17614 17303 1 15 . 1 1 195 195 ALA C C 207 176.531 176.531 176.041 0.490 17614 17304 1 15 . 1 1 195 195 ALA CA C 207 53.083 53.083 51.881 1.202 17614 17305 1 15 . 1 1 195 195 ALA CB C 207 18.960 18.960 19.192 -0.232 17614 17306 1 15 . 1 1 195 195 ALA H H 207 7.565 7.565 7.973 -0.408 17614 17307 1 15 . 1 1 196 196 ASN N N 208 115.463 115.463 116.792 -1.329 17614 17308 1 15 . 1 1 196 196 ASN C C 208 174.822 174.822 173.831 0.991 17614 17309 1 15 . 1 1 196 196 ASN CA C 208 54.351 54.351 53.909 0.442 17614 17310 1 15 . 1 1 196 196 ASN CB C 208 38.160 38.160 37.754 0.406 17614 17311 1 15 . 1 1 196 196 ASN H H 208 7.936 7.936 8.108 -0.172 17614 17312 1 15 . 1 1 200 200 ASP C C 212 174.735 174.735 174.722 0.013 17614 17313 1 15 . 1 1 201 201 ASP N N 213 116.363 116.363 120.183 -3.820 17614 17314 1 15 . 1 1 201 201 ASP C C 213 175.553 175.553 177.034 -1.481 17614 17315 1 15 . 1 1 201 201 ASP CA C 213 54.890 54.890 55.115 -0.225 17614 17316 1 15 . 1 1 201 201 ASP CB C 213 38.846 38.846 39.236 -0.390 17614 17317 1 15 . 1 1 201 201 ASP H H 213 8.129 8.129 8.600 -0.471 17614 17318 1 15 . 1 1 202 202 LEU N N 214 119.486 119.486 119.857 -0.371 17614 17319 1 15 . 1 1 202 202 LEU CA C 214 59.766 59.766 59.718 0.048 17614 17320 1 15 . 1 1 202 202 LEU CB C 214 39.579 39.579 41.180 -1.601 17614 17321 1 15 . 1 1 202 202 LEU H H 214 7.821 7.821 8.095 -0.274 17614 17322 1 15 . 1 1 203 203 PRO C C 215 177.971 177.971 178.537 -0.566 17614 17323 1 15 . 1 1 203 203 PRO CA C 215 65.938 65.938 65.796 0.142 17614 17324 1 15 . 1 1 203 203 PRO CB C 215 30.006 30.006 30.917 -0.911 17614 17325 1 15 . 1 1 204 204 CYS N N 216 114.211 114.211 115.009 -0.798 17614 17326 1 15 . 1 1 204 204 CYS C C 216 176.142 176.142 176.397 -0.255 17614 17327 1 15 . 1 1 204 204 CYS CA C 216 58.773 58.773 61.922 -3.150 17614 17328 1 15 . 1 1 204 204 CYS CB C 216 40.906 40.906 27.278 13.628 17614 17329 1 15 . 1 1 204 204 CYS H H 216 8.269 8.269 7.605 0.664 17614 17330 1 15 . 1 1 205 205 HIS N N 217 120.491 120.491 121.347 -0.856 17614 17331 1 15 . 1 1 205 205 HIS C C 217 176.747 176.747 176.937 -0.190 17614 17332 1 15 . 1 1 205 205 HIS CA C 217 57.198 57.198 58.808 -1.610 17614 17333 1 15 . 1 1 205 205 HIS CB C 217 29.886 29.886 29.832 0.054 17614 17334 1 15 . 1 1 205 205 HIS H H 217 7.301 7.301 7.432 -0.131 17614 17335 1 15 . 1 1 206 206 PHE N N 218 120.501 120.501 117.845 2.656 17614 17336 1 15 . 1 1 206 206 PHE C C 218 176.187 176.187 177.704 -1.517 17614 17337 1 15 . 1 1 206 206 PHE CA C 218 59.045 59.045 62.093 -3.048 17614 17338 1 15 . 1 1 206 206 PHE CB C 218 38.901 38.901 38.419 0.483 17614 17339 1 15 . 1 1 206 206 PHE H H 218 8.127 8.127 7.792 0.335 17614 17340 1 15 . 1 1 207 207 THR N N 219 112.682 112.682 115.145 -2.463 17614 17341 1 15 . 1 1 207 207 THR C C 219 175.997 175.997 176.612 -0.615 17614 17342 1 15 . 1 1 207 207 THR CA C 219 64.319 64.319 67.377 -3.058 17614 17343 1 15 . 1 1 207 207 THR CB C 219 63.282 63.282 68.355 -5.073 17614 17344 1 15 . 1 1 207 207 THR H H 219 7.977 7.977 7.834 0.143 17614 17345 1 15 . 1 1 208 208 SER N N 220 117.589 117.589 117.405 0.184 17614 17346 1 15 . 1 1 208 208 SER C C 220 175.055 175.055 176.422 -1.367 17614 17347 1 15 . 1 1 208 208 SER CA C 220 61.344 61.344 61.432 -0.088 17614 17348 1 15 . 1 1 208 208 SER CB C 220 63.440 63.440 63.079 0.361 17614 17349 1 15 . 1 1 208 208 SER H H 220 8.004 8.004 7.749 0.255 17614 17350 1 15 . 1 1 209 209 ALA N N 221 123.860 123.860 124.807 -0.947 17614 17351 1 15 . 1 1 209 209 ALA C C 221 177.618 177.618 179.254 -1.636 17614 17352 1 15 . 1 1 209 209 ALA CA C 221 53.932 53.932 54.884 -0.952 17614 17353 1 15 . 1 1 209 209 ALA CB C 221 18.891 18.891 18.193 0.698 17614 17354 1 15 . 1 1 209 209 ALA H H 221 7.704 7.704 7.859 -0.155 17614 17355 1 15 . 1 1 210 210 PHE N N 222 116.073 116.073 120.042 -3.969 17614 17356 1 15 . 1 1 210 210 PHE C C 222 176.142 176.142 177.669 -1.527 17614 17357 1 15 . 1 1 210 210 PHE CA C 222 58.271 58.271 61.757 -3.486 17614 17358 1 15 . 1 1 210 210 PHE CB C 222 39.554 39.554 39.118 0.436 17614 17359 1 15 . 1 1 210 210 PHE H H 222 7.718 7.718 8.176 -0.458 17614 17360 1 15 . 1 1 211 211 GLY N N 223 108.578 108.578 106.297 2.281 17614 17361 1 15 . 1 1 211 211 GLY C C 223 173.889 173.889 175.583 -1.694 17614 17362 1 15 . 1 1 211 211 GLY CA C 223 45.993 45.993 47.046 -1.053 17614 17363 1 15 . 1 1 211 211 GLY H H 223 7.909 7.909 8.080 -0.171 17614 17364 1 15 . 1 1 212 212 ALA N N 224 123.322 123.322 124.875 -1.553 17614 17365 1 15 . 1 1 212 212 ALA C C 224 178.550 178.550 179.626 -1.076 17614 17366 1 15 . 1 1 212 212 ALA CA C 224 53.608 53.608 54.621 -1.013 17614 17367 1 15 . 1 1 212 212 ALA CB C 224 19.069 19.069 18.331 0.738 17614 17368 1 15 . 1 1 212 212 ALA H H 224 8.018 8.018 8.064 -0.046 17614 17369 1 15 . 1 1 213 213 GLY N N 225 107.935 107.935 107.478 0.457 17614 17370 1 15 . 1 1 213 213 GLY C C 225 175.389 175.389 175.621 -0.232 17614 17371 1 15 . 1 1 213 213 GLY CA C 225 46.967 46.967 46.837 0.129 17614 17372 1 15 . 1 1 213 213 GLY H H 225 8.304 8.304 8.639 -0.335 17614 17373 1 15 . 1 1 214 214 PHE N N 226 122.440 122.440 122.638 -0.198 17614 17374 1 15 . 1 1 214 214 PHE C C 226 176.998 176.998 176.738 0.260 17614 17375 1 15 . 1 1 214 214 PHE CA C 226 60.673 60.673 61.131 -0.458 17614 17376 1 15 . 1 1 214 214 PHE CB C 226 38.319 38.319 39.366 -1.047 17614 17377 1 15 . 1 1 214 214 PHE H H 226 8.045 8.045 7.695 0.350 17614 17378 1 15 . 1 1 215 215 CYS N N 227 116.562 116.562 117.394 -0.832 17614 17379 1 15 . 1 1 215 215 CYS CA C 227 61.301 61.301 61.644 -0.343 17614 17380 1 15 . 1 1 215 215 CYS CB C 227 41.286 41.286 28.771 12.515 17614 17381 1 15 . 1 1 215 215 CYS H H 227 8.016 8.016 7.725 0.291 17614 17382 1 15 . 1 1 216 216 THR C C 228 176.437 176.437 176.427 0.010 17614 17383 1 15 . 1 1 216 216 THR H H 228 8.410 8.410 8.559 -0.149 17614 17384 1 15 . 1 1 217 217 THR N N 229 115.234 115.234 115.747 -0.513 17614 17385 1 15 . 1 1 217 217 THR C C 229 176.749 176.749 176.320 0.429 17614 17386 1 15 . 1 1 217 217 THR CA C 229 65.980 65.980 65.687 0.293 17614 17387 1 15 . 1 1 217 217 THR CB C 229 67.443 67.443 67.666 -0.223 17614 17388 1 15 . 1 1 217 217 THR H H 229 8.188 8.188 7.906 0.282 17614 17389 1 15 . 1 1 218 218 VAL N N 230 120.723 120.723 121.942 -1.219 17614 17390 1 15 . 1 1 218 218 VAL C C 230 177.983 177.983 176.875 1.108 17614 17391 1 15 . 1 1 218 218 VAL CA C 230 66.832 66.832 64.725 2.107 17614 17392 1 15 . 1 1 218 218 VAL CB C 230 31.168 31.168 31.102 0.066 17614 17393 1 15 . 1 1 218 218 VAL H H 230 8.027 8.027 7.361 0.666 17614 17394 1 15 . 1 1 219 219 ILE N N 231 120.541 120.541 116.836 3.705 17614 17395 1 15 . 1 1 219 219 ILE C C 231 177.368 177.368 177.675 -0.307 17614 17396 1 15 . 1 1 219 219 ILE CA C 231 65.575 65.575 63.908 1.667 17614 17397 1 15 . 1 1 219 219 ILE CB C 231 37.722 37.722 37.869 -0.147 17614 17398 1 15 . 1 1 219 219 ILE H H 231 8.458 8.458 7.044 1.414 17614 17399 1 15 . 1 1 220 220 ALA N N 232 122.766 122.766 121.781 0.985 17614 17400 1 15 . 1 1 220 220 ALA C C 232 178.847 178.847 179.489 -0.642 17614 17401 1 15 . 1 1 220 220 ALA CA C 232 55.252 55.252 54.987 0.265 17614 17402 1 15 . 1 1 220 220 ALA CB C 232 17.874 17.874 18.135 -0.261 17614 17403 1 15 . 1 1 220 220 ALA H H 232 8.589 8.589 8.201 0.388 17614 17404 1 15 . 1 1 221 221 SER N N 233 113.387 113.387 113.961 -0.574 17614 17405 1 15 . 1 1 221 221 SER CA C 233 62.348 62.348 63.504 -1.155 17614 17406 1 15 . 1 1 221 221 SER CB C 233 61.630 61.630 61.677 -0.047 17614 17407 1 15 . 1 1 221 221 SER H H 233 8.218 8.218 8.431 -0.213 17614 17408 1 15 . 1 1 222 222 PRO C C 234 178.221 178.221 178.901 -0.680 17614 17409 1 15 . 1 1 223 223 VAL N N 235 116.087 116.087 118.268 -2.181 17614 17410 1 15 . 1 1 223 223 VAL C C 235 177.089 177.089 177.258 -0.169 17614 17411 1 15 . 1 1 223 223 VAL CA C 235 65.072 65.072 65.573 -0.501 17614 17412 1 15 . 1 1 223 223 VAL CB C 235 31.084 31.084 31.840 -0.756 17614 17413 1 15 . 1 1 223 223 VAL H H 235 8.142 8.142 7.475 0.667 17614 17414 1 15 . 1 1 224 224 ASP N N 236 121.556 121.556 119.800 1.756 17614 17415 1 15 . 1 1 224 224 ASP C C 236 177.422 177.422 178.337 -0.915 17614 17416 1 15 . 1 1 224 224 ASP CA C 236 57.135 57.135 57.826 -0.691 17614 17417 1 15 . 1 1 224 224 ASP CB C 236 40.065 40.065 41.065 -1.000 17614 17418 1 15 . 1 1 224 224 ASP H H 236 7.932 7.932 7.686 0.246 17614 17419 1 15 . 1 1 225 225 VAL N N 237 117.233 117.233 117.740 -0.507 17614 17420 1 15 . 1 1 225 225 VAL CA C 237 64.977 64.977 66.312 -1.335 17614 17421 1 15 . 1 1 225 225 VAL CB C 237 31.013 31.013 31.682 -0.669 17614 17422 1 15 . 1 1 225 225 VAL H H 237 7.710 7.710 8.224 -0.514 17614 17423 1 15 . 1 1 226 226 VAL C C 238 177.584 177.584 177.266 0.318 17614 17424 1 15 . 1 1 226 226 VAL H H 238 7.607 7.607 7.434 0.173 17614 17425 1 15 . 1 1 227 227 LYS N N 239 120.095 120.095 118.207 1.888 17614 17426 1 15 . 1 1 227 227 LYS C C 239 178.678 178.678 178.168 0.510 17614 17427 1 15 . 1 1 227 227 LYS CA C 239 58.483 58.483 58.367 0.116 17614 17428 1 15 . 1 1 227 227 LYS CB C 239 31.863 31.863 32.187 -0.324 17614 17429 1 15 . 1 1 227 227 LYS H H 239 7.761 7.761 7.513 0.248 17614 17430 1 15 . 1 1 228 228 THR N N 240 115.247 115.247 114.451 0.796 17614 17431 1 15 . 1 1 228 228 THR C C 240 175.093 175.093 175.243 -0.150 17614 17432 1 15 . 1 1 228 228 THR CA C 240 66.458 66.458 64.467 1.991 17614 17433 1 15 . 1 1 228 228 THR CB C 240 68.011 68.011 69.234 -1.223 17614 17434 1 15 . 1 1 228 228 THR H H 240 7.761 7.761 7.514 0.247 17614 17435 1 15 . 1 1 229 229 ARG N N 241 119.633 119.633 120.930 -1.297 17614 17436 1 15 . 1 1 229 229 ARG CA C 241 57.133 57.133 57.972 -0.839 17614 17437 1 15 . 1 1 229 229 ARG CB C 241 31.218 31.218 30.306 0.912 17614 17438 1 15 . 1 1 229 229 ARG H H 241 7.383 7.383 7.594 -0.211 17614 17439 1 15 . 1 1 230 230 TYR C C 242 174.956 174.956 173.710 1.246 17614 17440 1 15 . 1 1 230 230 TYR H H 242 8.699 8.699 8.450 0.249 17614 17441 1 15 . 1 1 231 231 MET N N 243 118.458 118.458 122.436 -3.978 17614 17442 1 15 . 1 1 231 231 MET C C 243 175.676 175.676 174.911 0.765 17614 17443 1 15 . 1 1 231 231 MET CA C 243 54.417 54.417 54.901 -0.484 17614 17444 1 15 . 1 1 231 231 MET H H 243 7.442 7.442 8.007 -0.565 17614 17445 1 15 . 1 1 232 232 ASN N N 244 116.369 116.369 121.736 -5.367 17614 17446 1 15 . 1 1 232 232 ASN C C 244 174.919 174.919 174.190 0.729 17614 17447 1 15 . 1 1 232 232 ASN CA C 244 59.470 59.470 53.410 6.060 17614 17448 1 15 . 1 1 232 232 ASN CB C 244 39.079 39.079 39.322 -0.243 17614 17449 1 15 . 1 1 232 232 ASN H H 244 7.772 7.772 8.282 -0.510 17614 17450 1 15 . 1 1 233 233 SER N N 245 114.568 114.568 115.914 -1.346 17614 17451 1 15 . 1 1 233 233 SER C C 245 175.695 175.695 173.813 1.882 17614 17452 1 15 . 1 1 233 233 SER CA C 245 53.852 53.852 58.969 -5.117 17614 17453 1 15 . 1 1 233 233 SER CB C 245 61.232 61.232 61.487 -0.255 17614 17454 1 15 . 1 1 233 233 SER H H 245 8.475 8.475 8.710 -0.235 17614 17455 1 15 . 1 1 234 234 ALA N N 246 127.283 127.283 127.094 0.189 17614 17456 1 15 . 1 1 234 234 ALA C C 246 177.128 177.128 176.487 0.641 17614 17457 1 15 . 1 1 234 234 ALA CA C 246 56.803 56.803 51.970 4.833 17614 17458 1 15 . 1 1 234 234 ALA CB C 246 18.901 18.901 20.137 -1.236 17614 17459 1 15 . 1 1 234 234 ALA H H 246 7.929 7.929 8.886 -0.957 17614 17460 1 15 . 1 1 235 235 LEU N N 247 118.112 118.112 120.961 -2.849 17614 17461 1 15 . 1 1 235 235 LEU C C 247 176.723 176.723 178.307 -1.584 17614 17462 1 15 . 1 1 235 235 LEU CA C 247 54.156 54.156 54.883 -0.727 17614 17463 1 15 . 1 1 235 235 LEU CB C 247 41.215 41.215 40.761 0.453 17614 17464 1 15 . 1 1 235 235 LEU H H 247 7.922 7.922 8.755 -0.833 17614 17465 1 15 . 1 1 236 236 GLY N N 248 107.203 107.203 110.901 -3.698 17614 17466 1 15 . 1 1 236 236 GLY CA C 248 44.558 44.558 45.915 -1.357 17614 17467 1 15 . 1 1 236 236 GLY H H 248 8.318 8.318 8.778 -0.460 17614 17468 1 15 . 1 1 238 238 TYR C C 250 175.942 175.942 175.839 0.103 17614 17469 1 15 . 1 1 238 238 TYR H H 250 8.134 8.134 7.643 0.491 17614 17470 1 15 . 1 1 239 239 HIS N N 251 123.281 123.281 118.497 4.784 17614 17471 1 15 . 1 1 239 239 HIS C C 251 174.531 174.531 174.760 -0.229 17614 17472 1 15 . 1 1 239 239 HIS CA C 251 58.931 58.931 58.010 0.921 17614 17473 1 15 . 1 1 239 239 HIS CB C 251 29.525 29.525 30.413 -0.888 17614 17474 1 15 . 1 1 239 239 HIS H H 251 8.184 8.184 8.923 -0.739 17614 17475 1 15 . 1 1 240 240 SER N N 252 110.038 110.038 112.425 -2.387 17614 17476 1 15 . 1 1 240 240 SER C C 252 174.429 174.429 174.903 -0.474 17614 17477 1 15 . 1 1 240 240 SER CA C 252 57.452 57.452 57.719 -0.267 17614 17478 1 15 . 1 1 240 240 SER CB C 252 65.022 65.022 64.553 0.469 17614 17479 1 15 . 1 1 240 240 SER H H 252 8.010 8.010 7.799 0.211 17614 17480 1 15 . 1 1 241 241 ALA N N 253 123.034 123.034 123.728 -0.694 17614 17481 1 15 . 1 1 241 241 ALA C C 253 179.249 179.249 179.780 -0.531 17614 17482 1 15 . 1 1 241 241 ALA CA C 253 54.981 54.981 54.851 0.130 17614 17483 1 15 . 1 1 241 241 ALA CB C 253 19.069 19.069 18.566 0.503 17614 17484 1 15 . 1 1 241 241 ALA H H 253 8.034 8.034 8.731 -0.697 17614 17485 1 15 . 1 1 242 242 GLY N N 254 106.379 106.379 106.874 -0.495 17614 17486 1 15 . 1 1 242 242 GLY C C 254 174.433 174.433 175.611 -1.178 17614 17487 1 15 . 1 1 242 242 GLY CA C 254 47.615 47.615 46.952 0.664 17614 17488 1 15 . 1 1 242 242 GLY H H 254 8.427 8.427 8.151 0.276 17614 17489 1 15 . 1 1 243 243 HIS N N 255 121.119 121.119 121.833 -0.714 17614 17490 1 15 . 1 1 243 243 HIS C C 255 178.084 178.084 177.062 1.022 17614 17491 1 15 . 1 1 243 243 HIS CA C 255 60.144 60.144 59.574 0.570 17614 17492 1 15 . 1 1 243 243 HIS CB C 255 33.073 33.073 29.885 3.188 17614 17493 1 15 . 1 1 243 243 HIS H H 255 8.304 8.304 7.896 0.408 17614 17494 1 15 . 1 1 244 244 CYS N N 256 117.946 117.946 118.143 -0.197 17614 17495 1 15 . 1 1 244 244 CYS C C 256 175.453 175.453 176.481 -1.028 17614 17496 1 15 . 1 1 244 244 CYS CA C 256 58.668 58.668 63.358 -4.690 17614 17497 1 15 . 1 1 244 244 CYS CB C 256 41.434 41.434 27.217 14.217 17614 17498 1 15 . 1 1 244 244 CYS H H 256 8.168 8.168 8.209 -0.041 17614 17499 1 15 . 1 1 245 245 ALA N N 257 123.138 123.138 122.276 0.862 17614 17500 1 15 . 1 1 245 245 ALA C C 257 179.489 179.489 179.605 -0.116 17614 17501 1 15 . 1 1 245 245 ALA CA C 257 54.589 54.589 55.166 -0.577 17614 17502 1 15 . 1 1 245 245 ALA CB C 257 17.675 17.675 17.984 -0.309 17614 17503 1 15 . 1 1 245 245 ALA H H 257 7.932 7.932 7.489 0.443 17614 17504 1 15 . 1 1 246 246 LEU N N 258 119.779 119.779 118.486 1.293 17614 17505 1 15 . 1 1 246 246 LEU C C 258 178.234 178.234 179.056 -0.822 17614 17506 1 15 . 1 1 246 246 LEU CA C 258 56.967 56.967 57.596 -0.629 17614 17507 1 15 . 1 1 246 246 LEU CB C 258 41.067 41.067 40.867 0.200 17614 17508 1 15 . 1 1 246 246 LEU H H 258 7.681 7.681 7.764 -0.083 17614 17509 1 15 . 1 1 247 247 THR N N 259 114.552 114.552 116.828 -2.276 17614 17510 1 15 . 1 1 247 247 THR C C 259 176.244 176.244 176.607 -0.363 17614 17511 1 15 . 1 1 247 247 THR CA C 259 66.511 66.511 66.930 -0.419 17614 17512 1 15 . 1 1 247 247 THR CB C 259 67.274 67.274 68.337 -1.063 17614 17513 1 15 . 1 1 247 247 THR H H 259 7.855 7.855 8.394 -0.539 17614 17514 1 15 . 1 1 248 248 MET N N 260 118.862 118.862 120.370 -1.508 17614 17515 1 15 . 1 1 248 248 MET C C 260 177.094 177.094 177.391 -0.297 17614 17516 1 15 . 1 1 248 248 MET CA C 260 58.532 58.532 58.789 -0.258 17614 17517 1 15 . 1 1 248 248 MET CB C 260 32.288 32.288 31.769 0.519 17614 17518 1 15 . 1 1 248 248 MET H H 260 8.296 8.296 8.315 -0.019 17614 17519 1 15 . 1 1 249 249 LEU N N 261 116.839 116.839 118.912 -2.073 17614 17520 1 15 . 1 1 249 249 LEU C C 261 178.162 178.162 179.034 -0.872 17614 17521 1 15 . 1 1 249 249 LEU CA C 261 58.167 58.167 57.456 0.711 17614 17522 1 15 . 1 1 249 249 LEU CB C 261 42.202 42.202 41.860 0.342 17614 17523 1 15 . 1 1 249 249 LEU H H 261 8.053 8.053 7.394 0.659 17614 17524 1 15 . 1 1 250 250 ARG N N 262 116.821 116.821 117.809 -0.988 17614 17525 1 15 . 1 1 250 250 ARG CA C 262 58.761 58.761 58.066 0.695 17614 17526 1 15 . 1 1 250 250 ARG CB C 262 30.825 30.825 30.243 0.582 17614 17527 1 15 . 1 1 250 250 ARG H H 262 7.827 7.827 7.803 0.024 17614 17528 1 15 . 1 1 254 254 PRO C C 266 177.152 177.152 178.475 -1.323 17614 17529 1 15 . 1 1 254 254 PRO CA C 266 65.152 65.152 64.207 0.945 17614 17530 1 15 . 1 1 255 255 ARG N N 267 117.739 117.739 119.328 -1.589 17614 17531 1 15 . 1 1 255 255 ARG C C 267 177.463 177.463 177.684 -0.221 17614 17532 1 15 . 1 1 255 255 ARG CA C 267 59.335 59.335 58.962 0.373 17614 17533 1 15 . 1 1 255 255 ARG CB C 267 30.185 30.185 29.499 0.686 17614 17534 1 15 . 1 1 255 255 ARG H H 267 8.072 8.072 7.930 0.142 17614 17535 1 15 . 1 1 256 256 ALA N N 268 121.709 121.709 121.024 0.685 17614 17536 1 15 . 1 1 256 256 ALA C C 268 179.251 179.251 177.688 1.563 17614 17537 1 15 . 1 1 256 256 ALA CA C 268 54.631 54.631 54.612 0.019 17614 17538 1 15 . 1 1 256 256 ALA CB C 268 18.683 18.683 18.610 0.073 17614 17539 1 15 . 1 1 256 256 ALA H H 268 7.963 7.963 7.828 0.135 17614 17540 1 15 . 1 1 257 257 PHE N N 269 117.096 117.096 118.111 -1.015 17614 17541 1 15 . 1 1 257 257 PHE C C 269 175.987 175.987 177.231 -1.244 17614 17542 1 15 . 1 1 257 257 PHE CA C 269 61.037 61.037 59.723 1.314 17614 17543 1 15 . 1 1 257 257 PHE CB C 269 38.637 38.637 39.455 -0.818 17614 17544 1 15 . 1 1 257 257 PHE H H 269 7.832 7.832 7.706 0.126 17614 17545 1 15 . 1 1 258 258 TYR N N 270 118.496 118.496 119.582 -1.086 17614 17546 1 15 . 1 1 258 258 TYR C C 270 176.250 176.250 176.136 0.114 17614 17547 1 15 . 1 1 258 258 TYR CA C 270 60.116 60.116 59.578 0.538 17614 17548 1 15 . 1 1 258 258 TYR CB C 270 38.882 38.882 38.648 0.234 17614 17549 1 15 . 1 1 258 258 TYR H H 270 7.813 7.813 7.519 0.294 17614 17550 1 15 . 1 1 259 259 LYS N N 271 119.458 119.458 119.264 0.194 17614 17551 1 15 . 1 1 259 259 LYS C C 271 177.696 177.696 176.265 1.431 17614 17552 1 15 . 1 1 259 259 LYS CA C 271 57.192 57.192 56.190 1.002 17614 17553 1 15 . 1 1 259 259 LYS CB C 271 32.734 32.734 32.814 -0.080 17614 17554 1 15 . 1 1 259 259 LYS H H 271 7.864 7.864 7.660 0.204 17614 17555 1 15 . 1 1 260 260 GLY N N 272 106.217 106.217 107.181 -0.964 17614 17556 1 15 . 1 1 260 260 GLY C C 272 173.967 173.967 173.463 0.504 17614 17557 1 15 . 1 1 260 260 GLY CA C 272 46.117 46.117 45.934 0.183 17614 17558 1 15 . 1 1 260 260 GLY H H 272 7.622 7.622 8.232 -0.611 17614 17559 1 15 . 1 1 261 261 PHE N N 273 118.847 118.847 117.837 1.010 17614 17560 1 15 . 1 1 261 261 PHE C C 273 175.055 175.055 175.067 -0.012 17614 17561 1 15 . 1 1 261 261 PHE CA C 273 57.721 57.721 57.128 0.593 17614 17562 1 15 . 1 1 261 261 PHE CB C 273 40.183 40.183 38.914 1.269 17614 17563 1 15 . 1 1 261 261 PHE H H 273 7.677 7.677 7.355 0.322 17614 17564 1 15 . 1 1 265 265 PHE C C 277 176.602 176.602 176.931 -0.329 17614 17565 1 15 . 1 1 265 265 PHE CA C 277 61.838 61.838 61.510 0.328 17614 17566 1 15 . 1 1 265 265 PHE CB C 277 39.537 39.537 39.331 0.206 17614 17567 1 15 . 1 1 265 265 PHE H H 277 7.695 7.695 8.475 -0.780 17614 17568 1 15 . 1 1 266 266 LEU N N 278 118.465 118.465 119.968 -1.503 17614 17569 1 15 . 1 1 266 266 LEU C C 278 177.152 177.152 178.849 -1.697 17614 17570 1 15 . 1 1 266 266 LEU CA C 278 56.115 56.115 58.539 -2.424 17614 17571 1 15 . 1 1 266 266 LEU CB C 278 42.398 42.398 41.598 0.800 17614 17572 1 15 . 1 1 266 266 LEU H H 278 8.104 8.104 8.052 0.052 17614 17573 1 15 . 1 1 267 267 ARG N N 279 118.749 118.749 119.201 -0.452 17614 17574 1 15 . 1 1 267 267 ARG C C 279 176.608 176.608 179.150 -2.542 17614 17575 1 15 . 1 1 267 267 ARG CA C 279 56.938 56.938 58.802 -1.864 17614 17576 1 15 . 1 1 267 267 ARG CB C 279 30.659 30.659 29.741 0.918 17614 17577 1 15 . 1 1 267 267 ARG H H 279 7.472 7.472 8.078 -0.606 17614 17578 1 15 . 1 1 268 268 LEU N N 280 120.305 120.305 120.270 0.035 17614 17579 1 15 . 1 1 268 268 LEU C C 280 177.540 177.540 178.728 -1.188 17614 17580 1 15 . 1 1 268 268 LEU CA C 280 57.094 57.094 57.556 -0.462 17614 17581 1 15 . 1 1 268 268 LEU CB C 280 42.027 42.027 41.419 0.608 17614 17582 1 15 . 1 1 268 268 LEU H H 280 7.690 7.690 8.366 -0.676 17614 17583 1 15 . 1 1 269 269 GLY N N 281 106.837 106.837 106.376 0.461 17614 17584 1 15 . 1 1 269 269 GLY C C 281 174.045 174.045 176.040 -1.995 17614 17585 1 15 . 1 1 269 269 GLY CA C 281 46.967 46.967 47.385 -0.418 17614 17586 1 15 . 1 1 269 269 GLY H H 281 7.881 7.881 7.920 -0.039 17614 17587 1 15 . 1 1 270 270 SER N N 282 115.531 115.531 118.309 -2.778 17614 17588 1 15 . 1 1 270 270 SER C C 282 174.123 174.123 176.457 -2.334 17614 17589 1 15 . 1 1 270 270 SER CA C 282 58.796 58.796 61.301 -2.505 17614 17590 1 15 . 1 1 270 270 SER CB C 282 58.975 58.975 62.707 -3.732 17614 17591 1 15 . 1 1 270 270 SER H H 282 7.813 7.813 7.772 0.041 17614 17592 1 15 . 1 1 271 271 TRP N N 283 122.851 122.851 124.345 -1.494 17614 17593 1 15 . 1 1 271 271 TRP C C 283 176.142 176.142 177.595 -1.453 17614 17594 1 15 . 1 1 271 271 TRP CA C 283 59.221 59.221 61.327 -2.106 17614 17595 1 15 . 1 1 271 271 TRP CB C 283 30.446 30.446 29.581 0.865 17614 17596 1 15 . 1 1 271 271 TRP H H 283 8.186 8.186 8.413 -0.227 17614 17597 1 15 . 1 1 272 272 ASN N N 284 118.459 118.459 118.101 0.358 17614 17598 1 15 . 1 1 272 272 ASN CA C 284 55.325 55.325 56.008 -0.683 17614 17599 1 15 . 1 1 272 272 ASN CB C 284 39.504 39.504 38.220 1.284 17614 17600 1 15 . 1 1 272 272 ASN H H 284 8.127 8.127 8.048 0.079 17614 17601 1 15 . 1 1 273 273 VAL C C 285 177.263 177.263 177.876 -0.613 17614 17602 1 15 . 1 1 273 273 VAL H H 285 7.854 7.854 7.772 0.082 17614 17603 1 15 . 1 1 274 274 VAL N N 286 119.883 119.883 117.298 2.585 17614 17604 1 15 . 1 1 274 274 VAL C C 286 177.072 177.072 177.588 -0.516 17614 17605 1 15 . 1 1 274 274 VAL CA C 286 64.717 64.717 65.334 -0.617 17614 17606 1 15 . 1 1 274 274 VAL CB C 286 29.553 29.553 30.231 -0.678 17614 17607 1 15 . 1 1 274 274 VAL H H 286 7.483 7.483 7.378 0.105 17614 17608 1 15 . 1 1 275 275 MET N N 287 120.401 120.401 118.145 2.256 17614 17609 1 15 . 1 1 275 275 MET C C 287 177.594 177.594 177.663 -0.069 17614 17610 1 15 . 1 1 275 275 MET CA C 287 57.654 57.654 57.754 -0.100 17614 17611 1 15 . 1 1 275 275 MET CB C 287 31.592 31.592 31.477 0.115 17614 17612 1 15 . 1 1 275 275 MET H H 287 8.118 8.118 7.164 0.954 17614 17613 1 15 . 1 1 276 276 PHE N N 288 122.234 122.234 118.647 3.587 17614 17614 1 15 . 1 1 276 276 PHE C C 288 176.498 176.498 177.186 -0.688 17614 17615 1 15 . 1 1 276 276 PHE CA C 288 61.766 61.766 61.605 0.161 17614 17616 1 15 . 1 1 276 276 PHE CB C 288 39.031 39.031 39.119 -0.088 17614 17617 1 15 . 1 1 276 276 PHE H H 288 7.878 7.878 7.451 0.427 17614 17618 1 15 . 1 1 277 277 VAL N N 289 118.907 118.907 116.265 2.642 17614 17619 1 15 . 1 1 277 277 VAL CA C 289 64.566 64.566 66.355 -1.789 17614 17620 1 15 . 1 1 277 277 VAL CB C 289 30.544 30.544 30.948 -0.404 17614 17621 1 15 . 1 1 277 277 VAL H H 289 7.913 7.913 7.731 0.182 17614 17622 1 15 . 1 1 278 278 THR C C 290 175.376 175.376 176.460 -1.084 17614 17623 1 15 . 1 1 278 278 THR H H 290 8.095 8.095 7.570 0.525 17614 17624 1 15 . 1 1 279 279 TYR N N 291 118.029 118.029 123.069 -5.040 17614 17625 1 15 . 1 1 279 279 TYR C C 291 176.919 176.919 177.140 -0.221 17614 17626 1 15 . 1 1 279 279 TYR CA C 291 61.717 61.717 61.913 -0.196 17614 17627 1 15 . 1 1 279 279 TYR CB C 291 38.020 38.020 38.134 -0.114 17614 17628 1 15 . 1 1 279 279 TYR H H 291 7.986 7.986 7.500 0.486 17614 17629 1 15 . 1 1 280 280 GLU N N 292 118.005 118.005 118.954 -0.949 17614 17630 1 15 . 1 1 280 280 GLU C C 292 176.686 176.686 178.697 -2.011 17614 17631 1 15 . 1 1 280 280 GLU CA C 292 60.084 60.084 59.642 0.443 17614 17632 1 15 . 1 1 280 280 GLU CB C 292 29.443 29.443 28.997 0.447 17614 17633 1 15 . 1 1 280 280 GLU H H 292 8.359 8.359 7.896 0.463 17614 17634 1 15 . 1 1 281 281 GLN N N 293 118.746 118.746 119.229 -0.483 17614 17635 1 15 . 1 1 281 281 GLN C C 293 176.210 176.210 178.080 -1.870 17614 17636 1 15 . 1 1 281 281 GLN CA C 293 58.986 58.986 58.437 0.549 17614 17637 1 15 . 1 1 281 281 GLN CB C 293 28.784 28.784 28.358 0.426 17614 17638 1 15 . 1 1 281 281 GLN H H 293 7.704 7.704 7.413 0.291 17614 17639 1 15 . 1 1 282 282 LEU N N 294 120.970 120.970 118.657 2.313 17614 17640 1 15 . 1 1 282 282 LEU C C 294 178.084 178.084 177.973 0.111 17614 17641 1 15 . 1 1 282 282 LEU CA C 294 58.741 58.741 56.992 1.749 17614 17642 1 15 . 1 1 282 282 LEU CB C 294 41.451 41.451 41.574 -0.123 17614 17643 1 15 . 1 1 282 282 LEU H H 294 7.995 7.995 7.362 0.633 17614 17644 1 15 . 1 1 283 283 LYS N N 295 117.756 117.756 116.528 1.228 17614 17645 1 15 . 1 1 283 283 LYS CA C 295 59.048 59.048 58.581 0.467 17614 17646 1 15 . 1 1 283 283 LYS CB C 295 31.871 31.871 33.053 -1.182 17614 17647 1 15 . 1 1 283 283 LYS H H 295 7.731 7.731 7.839 -0.108 17614 17648 1 15 . 1 1 284 284 ARG H H 296 7.895 7.895 7.949 -0.054 17614 17649 1 15 . 1 1 285 285 ALA C C 297 176.488 176.488 176.719 -0.231 17614 17650 1 15 . 1 1 285 285 ALA H H 297 8.223 8.223 8.394 -0.171 17614 17651 1 15 . 1 1 286 286 LEU N N 298 117.376 117.376 121.247 -3.871 17614 17652 1 15 . 1 1 286 286 LEU C C 298 178.628 178.628 176.045 2.583 17614 17653 1 15 . 1 1 286 286 LEU CA C 298 58.217 58.217 55.135 3.082 17614 17654 1 15 . 1 1 286 286 LEU CB C 298 41.905 41.905 44.145 -2.240 17614 17655 1 15 . 1 1 286 286 LEU H H 298 7.947 7.947 7.934 0.013 17614 17656 1 15 . 1 1 287 287 MET N N 299 127.376 127.376 127.424 -0.048 17614 17657 1 15 . 1 1 287 287 MET C C 299 178.472 178.472 175.100 3.372 17614 17658 1 15 . 1 1 287 287 MET CA C 299 58.461 58.461 55.156 3.305 17614 17659 1 15 . 1 1 287 287 MET CB C 299 32.110 32.110 31.500 0.611 17614 17660 1 15 . 1 1 287 287 MET H H 299 8.182 8.182 8.786 -0.604 17614 17661 1 15 . 1 1 288 288 ALA N N 300 121.854 121.854 124.506 -2.652 17614 17662 1 15 . 1 1 288 288 ALA C C 300 180.197 180.197 175.985 4.212 17614 17663 1 15 . 1 1 288 288 ALA CA C 300 55.617 55.617 52.357 3.260 17614 17664 1 15 . 1 1 288 288 ALA CB C 300 18.215 18.215 19.987 -1.772 17614 17665 1 15 . 1 1 288 288 ALA H H 300 7.841 7.841 7.768 0.073 17614 17666 1 15 . 1 1 289 289 ALA N N 301 121.224 121.224 128.374 -7.150 17614 17667 1 15 . 1 1 289 289 ALA C C 301 178.939 178.939 178.139 0.800 17614 17668 1 15 . 1 1 289 289 ALA CA C 301 55.186 55.186 54.583 0.603 17614 17669 1 15 . 1 1 289 289 ALA CB C 301 18.735 18.735 18.969 -0.234 17614 17670 1 15 . 1 1 289 289 ALA H H 301 7.872 7.872 8.722 -0.850 17614 17671 1 15 . 1 1 290 290 TYR N N 302 118.183 118.183 119.766 -1.583 17614 17672 1 15 . 1 1 290 290 TYR C C 302 176.841 176.841 177.831 -0.990 17614 17673 1 15 . 1 1 290 290 TYR CA C 302 60.868 60.868 61.617 -0.749 17614 17674 1 15 . 1 1 290 290 TYR CB C 302 39.344 39.344 37.996 1.348 17614 17675 1 15 . 1 1 290 290 TYR H H 302 8.100 8.100 8.473 -0.373 17614 17676 1 15 . 1 1 291 291 GLN N N 303 117.243 117.243 118.159 -0.916 17614 17677 1 15 . 1 1 291 291 GLN C C 303 176.997 176.997 178.602 -1.605 17614 17678 1 15 . 1 1 291 291 GLN CA C 303 58.787 58.787 59.158 -0.372 17614 17679 1 15 . 1 1 291 291 GLN CB C 303 29.216 29.216 28.129 1.087 17614 17680 1 15 . 1 1 291 291 GLN H H 303 8.059 8.059 8.605 -0.546 17614 17681 1 15 . 1 1 292 292 SER N N 304 114.721 114.721 114.320 0.401 17614 17682 1 15 . 1 1 292 292 SER C C 304 174.511 174.511 176.000 -1.489 17614 17683 1 15 . 1 1 292 292 SER CA C 304 59.720 59.720 61.377 -1.657 17614 17684 1 15 . 1 1 292 292 SER CB C 304 63.896 63.896 63.136 0.760 17614 17685 1 15 . 1 1 292 292 SER H H 304 7.718 7.718 7.819 -0.101 17614 17686 1 15 . 1 1 293 293 ARG N N 305 121.401 121.401 121.060 0.341 17614 17687 1 15 . 1 1 293 293 ARG C C 305 175.521 175.521 177.823 -2.302 17614 17688 1 15 . 1 1 293 293 ARG CA C 305 59.639 59.639 58.589 1.050 17614 17689 1 15 . 1 1 293 293 ARG CB C 305 30.568 30.568 30.623 -0.055 17614 17690 1 15 . 1 1 293 293 ARG H H 305 7.609 7.609 8.151 -0.542 17614 17691 1 15 . 1 1 294 294 GLU N N 306 120.090 120.090 116.861 3.229 17614 17692 1 15 . 1 1 294 294 GLU C C 306 177.648 177.648 179.079 -1.431 17614 17693 1 15 . 1 1 294 294 GLU CA C 306 59.624 59.624 58.580 1.044 17614 17694 1 15 . 1 1 294 294 GLU CB C 306 30.362 30.362 29.376 0.986 17614 17695 1 15 . 1 1 294 294 GLU H H 306 7.909 7.909 7.810 0.099 17614 17696 1 15 . 1 1 295 295 ALA N N 307 121.234 121.234 124.964 -3.730 17614 17697 1 15 . 1 1 295 295 ALA C C 307 176.014 176.014 177.319 -1.305 17614 17698 1 15 . 1 1 295 295 ALA CA C 307 56.844 56.844 55.395 1.449 17614 17699 1 15 . 1 1 295 295 ALA CB C 307 17.735 17.735 16.886 0.849 17614 17700 1 15 . 1 1 295 295 ALA H H 307 7.760 7.760 7.876 -0.116 17614 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 236 2.553 -0.324 2.538 17614 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 17614 3 1 1 "Average Difference" C 239 1.145 0.358 1.090 17614 4 1 1 "Average Difference" CA 241 1.543 0.102 1.543 17614 5 1 1 "Average Difference" CB 215 2.548 -0.646 2.471 17614 6 1 1 "Average Difference" HN 249 0.440 -0.075 0.435 17614 7 1 2 "Average Difference" N 236 2.361 -0.249 2.352 17614 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 17614 9 1 2 "Average Difference" C 239 1.147 0.344 1.096 17614 10 1 2 "Average Difference" CA 241 1.584 0.118 1.583 17614 11 1 2 "Average Difference" CB 215 2.500 -0.612 2.429 17614 12 1 2 "Average Difference" HN 249 0.425 -0.053 0.422 17614 13 1 3 "Average Difference" N 236 2.432 -0.220 2.427 17614 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 17614 15 1 3 "Average Difference" C 239 1.100 0.352 1.045 17614 16 1 3 "Average Difference" CA 241 1.519 0.186 1.511 17614 17 1 3 "Average Difference" CB 215 2.493 -0.640 2.415 17614 18 1 3 "Average Difference" HN 249 0.426 -0.056 0.423 17614 19 1 4 "Average Difference" N 236 2.369 -0.168 2.368 17614 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 17614 21 1 4 "Average Difference" C 239 1.173 0.298 1.137 17614 22 1 4 "Average Difference" CA 241 1.556 0.075 1.557 17614 23 1 4 "Average Difference" CB 215 2.499 -0.635 2.423 17614 24 1 4 "Average Difference" HN 249 0.428 -0.071 0.423 17614 25 1 5 "Average Difference" N 236 2.381 -0.187 2.378 17614 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 17614 27 1 5 "Average Difference" C 239 1.136 0.343 1.085 17614 28 1 5 "Average Difference" CA 241 1.609 0.106 1.609 17614 29 1 5 "Average Difference" CB 215 2.459 -0.642 2.379 17614 30 1 5 "Average Difference" HN 249 0.415 -0.056 0.412 17614 31 1 6 "Average Difference" N 236 2.549 -0.113 2.552 17614 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 17614 33 1 6 "Average Difference" C 239 1.125 0.350 1.071 17614 34 1 6 "Average Difference" CA 241 1.546 0.087 1.546 17614 35 1 6 "Average Difference" CB 215 2.508 -0.640 2.431 17614 36 1 6 "Average Difference" HN 249 0.434 -0.058 0.431 17614 37 1 7 "Average Difference" N 236 2.513 -0.164 2.513 17614 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 17614 39 1 7 "Average Difference" C 239 1.109 0.376 1.045 17614 40 1 7 "Average Difference" CA 241 1.546 0.117 1.544 17614 41 1 7 "Average Difference" CB 215 2.514 -0.652 2.433 17614 42 1 7 "Average Difference" HN 249 0.436 -0.044 0.434 17614 43 1 8 "Average Difference" N 236 2.324 -0.181 2.322 17614 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 17614 45 1 8 "Average Difference" C 239 1.116 0.366 1.057 17614 46 1 8 "Average Difference" CA 241 1.564 0.096 1.565 17614 47 1 8 "Average Difference" CB 215 2.536 -0.666 2.453 17614 48 1 8 "Average Difference" HN 249 0.430 -0.064 0.426 17614 49 1 9 "Average Difference" N 236 2.564 -0.144 2.566 17614 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 17614 51 1 9 "Average Difference" C 239 1.167 0.424 1.090 17614 52 1 9 "Average Difference" CA 241 1.595 0.152 1.591 17614 53 1 9 "Average Difference" CB 215 2.543 -0.668 2.459 17614 54 1 9 "Average Difference" HN 249 0.422 -0.055 0.419 17614 55 1 10 "Average Difference" N 236 2.625 -0.261 2.618 17614 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 17614 57 1 10 "Average Difference" C 239 1.173 0.285 1.140 17614 58 1 10 "Average Difference" CA 241 1.544 0.119 1.542 17614 59 1 10 "Average Difference" CB 215 2.489 -0.625 2.415 17614 60 1 10 "Average Difference" HN 249 0.433 -0.049 0.431 17614 61 1 11 "Average Difference" N 236 2.514 -0.253 2.506 17614 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 17614 63 1 11 "Average Difference" C 239 1.118 0.333 1.069 17614 64 1 11 "Average Difference" CA 241 1.568 0.108 1.568 17614 65 1 11 "Average Difference" CB 215 2.567 -0.649 2.490 17614 66 1 11 "Average Difference" HN 249 0.418 -0.060 0.414 17614 67 1 12 "Average Difference" N 236 2.629 -0.267 2.621 17614 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 17614 69 1 12 "Average Difference" C 239 1.185 0.386 1.122 17614 70 1 12 "Average Difference" CA 241 1.558 0.165 1.552 17614 71 1 12 "Average Difference" CB 215 2.513 -0.677 2.426 17614 72 1 12 "Average Difference" HN 249 0.430 -0.073 0.424 17614 73 1 13 "Average Difference" N 236 2.377 -0.188 2.374 17614 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 17614 75 1 13 "Average Difference" C 239 1.120 0.378 1.056 17614 76 1 13 "Average Difference" CA 241 1.667 0.116 1.666 17614 77 1 13 "Average Difference" CB 215 2.468 -0.697 2.373 17614 78 1 13 "Average Difference" HN 249 0.444 -0.049 0.442 17614 79 1 14 "Average Difference" N 236 2.641 -0.258 2.634 17614 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 17614 81 1 14 "Average Difference" C 239 1.134 0.361 1.077 17614 82 1 14 "Average Difference" CA 241 1.523 0.094 1.523 17614 83 1 14 "Average Difference" CB 215 2.507 -0.678 2.419 17614 84 1 14 "Average Difference" HN 249 0.450 -0.063 0.446 17614 85 1 15 "Average Difference" N 236 2.404 -0.141 2.405 17614 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 17614 87 1 15 "Average Difference" C 239 1.140 0.384 1.076 17614 88 1 15 "Average Difference" CA 241 1.562 0.145 1.558 17614 89 1 15 "Average Difference" CB 215 2.436 -0.651 2.353 17614 90 1 15 "Average Difference" HN 249 0.431 -0.042 0.430 17614 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 17614 _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 3 3 VAL N N 15 123.095 123.095 123.184 -0.089 17614 2 1 . 1 1 3 3 VAL C C 15 176.453 176.453 176.244 0.209 17614 3 1 . 1 1 3 3 VAL CA C 15 63.979 63.979 60.761 3.218 17614 4 1 . 1 1 3 3 VAL CB C 15 32.507 32.507 34.649 -2.142 17614 5 1 . 1 1 3 3 VAL H H 15 8.053 8.053 8.023 0.030 17614 6 1 . 1 1 4 4 LYS N N 16 123.075 123.075 122.955 0.120 17614 7 1 . 1 1 4 4 LYS C C 16 176.841 176.841 178.904 -2.063 17614 8 1 . 1 1 4 4 LYS CA C 16 59.762 59.762 59.358 0.404 17614 9 1 . 1 1 4 4 LYS CB C 16 32.751 32.751 32.221 0.530 17614 10 1 . 1 1 4 4 LYS H H 16 8.059 8.059 8.691 -0.632 17614 11 1 . 1 1 5 5 PHE N N 17 118.838 118.838 120.035 -1.197 17614 12 1 . 1 1 5 5 PHE C C 17 175.443 175.443 177.459 -2.016 17614 13 1 . 1 1 5 5 PHE CA C 17 59.915 59.915 60.768 -0.853 17614 14 1 . 1 1 5 5 PHE CB C 17 39.659 39.659 38.733 0.926 17614 15 1 . 1 1 5 5 PHE H H 17 7.909 7.909 8.107 -0.198 17614 16 1 . 1 1 6 6 LEU N N 18 119.089 119.089 119.348 -0.259 17614 17 1 . 1 1 6 6 LEU C C 18 177.195 177.195 178.121 -0.926 17614 18 1 . 1 1 6 6 LEU CA C 18 55.385 55.385 56.739 -1.354 17614 19 1 . 1 1 6 6 LEU CB C 18 42.905 42.905 41.441 1.464 17614 20 1 . 1 1 6 6 LEU H H 18 7.814 7.814 8.085 -0.271 17614 21 1 . 1 1 7 7 GLY N N 19 108.484 108.484 107.944 0.540 17614 22 1 . 1 1 7 7 GLY C C 19 174.967 174.967 175.527 -0.560 17614 23 1 . 1 1 7 7 GLY CA C 19 45.518 45.518 47.114 -1.596 17614 24 1 . 1 1 7 7 GLY H H 19 8.032 8.032 8.346 -0.314 17614 25 1 . 1 1 8 8 ALA N N 20 124.208 124.208 123.796 0.412 17614 26 1 . 1 1 8 8 ALA C C 20 179.405 179.405 179.333 0.072 17614 27 1 . 1 1 8 8 ALA CA C 20 54.531 54.531 54.411 0.120 17614 28 1 . 1 1 8 8 ALA CB C 20 18.995 18.995 18.187 0.808 17614 29 1 . 1 1 8 8 ALA H H 20 8.318 8.318 7.996 0.322 17614 30 1 . 1 1 9 9 GLY N N 21 108.209 108.209 107.179 1.030 17614 31 1 . 1 1 9 9 GLY C C 21 175.676 175.676 176.187 -0.511 17614 32 1 . 1 1 9 9 GLY CA C 21 46.742 46.742 47.291 -0.549 17614 33 1 . 1 1 9 9 GLY H H 21 8.523 8.523 8.056 0.467 17614 34 1 . 1 1 10 10 THR N N 22 119.542 119.542 116.199 3.343 17614 35 1 . 1 1 10 10 THR C C 22 175.661 175.661 176.086 -0.425 17614 36 1 . 1 1 10 10 THR CA C 22 66.401 66.401 65.501 0.900 17614 37 1 . 1 1 10 10 THR CB C 22 68.866 68.866 68.575 0.291 17614 38 1 . 1 1 10 10 THR H H 22 7.881 7.881 8.267 -0.386 17614 39 1 . 1 1 11 11 ALA N N 23 123.431 123.431 124.229 -0.798 17614 40 1 . 1 1 11 11 ALA C C 23 178.628 178.628 179.007 -0.379 17614 41 1 . 1 1 11 11 ALA CA C 23 55.480 55.480 54.958 0.522 17614 42 1 . 1 1 11 11 ALA CB C 23 18.218 18.218 18.067 0.151 17614 43 1 . 1 1 11 11 ALA H H 23 8.263 8.263 7.476 0.787 17614 44 1 . 1 1 12 12 ALA N N 24 119.939 119.939 120.724 -0.785 17614 45 1 . 1 1 12 12 ALA C C 24 179.172 179.172 179.253 -0.081 17614 46 1 . 1 1 12 12 ALA CA C 24 55.038 55.038 55.023 0.015 17614 47 1 . 1 1 12 12 ALA CB C 24 18.385 18.385 18.169 0.216 17614 48 1 . 1 1 12 12 ALA H H 24 7.827 7.827 8.260 -0.433 17614 49 1 . 1 1 13 13 CYS N N 25 116.736 116.736 117.170 -0.434 17614 50 1 . 1 1 13 13 CYS C C 25 176.220 176.220 176.815 -0.595 17614 51 1 . 1 1 13 13 CYS CA C 25 58.596 58.596 63.088 -4.492 17614 52 1 . 1 1 13 13 CYS CB C 25 41.771 41.771 27.628 14.143 17614 53 1 . 1 1 13 13 CYS H H 25 7.677 7.677 7.434 0.243 17614 54 1 . 1 1 14 14 ILE N N 26 119.154 119.154 119.559 -0.405 17614 55 1 . 1 1 14 14 ILE C C 26 176.915 176.915 177.253 -0.338 17614 56 1 . 1 1 14 14 ILE CA C 26 64.858 64.858 64.370 0.488 17614 57 1 . 1 1 14 14 ILE CB C 26 38.090 38.090 37.397 0.693 17614 58 1 . 1 1 14 14 ILE H H 26 7.899 7.899 7.584 0.315 17614 59 1 . 1 1 15 15 ALA N N 27 121.116 121.116 122.151 -1.035 17614 60 1 . 1 1 15 15 ALA C C 27 179.016 179.016 178.937 0.079 17614 61 1 . 1 1 15 15 ALA CA C 27 55.367 55.367 55.065 0.302 17614 62 1 . 1 1 15 15 ALA CB C 27 18.385 18.385 18.449 -0.064 17614 63 1 . 1 1 15 15 ALA H H 27 7.909 7.909 7.878 0.031 17614 64 1 . 1 1 16 16 ASP N N 28 116.829 116.829 117.883 -1.054 17614 65 1 . 1 1 16 16 ASP C C 28 177.643 177.643 178.271 -0.628 17614 66 1 . 1 1 16 16 ASP CA C 28 56.453 56.453 56.664 -0.211 17614 67 1 . 1 1 16 16 ASP CB C 28 41.128 41.128 40.974 0.154 17614 68 1 . 1 1 16 16 ASP H H 28 7.554 7.554 7.543 0.011 17614 69 1 . 1 1 17 17 LEU N N 29 119.672 119.672 120.780 -1.108 17614 70 1 . 1 1 17 17 LEU C C 29 178.628 178.628 179.048 -0.420 17614 71 1 . 1 1 17 17 LEU CA C 29 57.144 57.144 58.241 -1.097 17614 72 1 . 1 1 17 17 LEU CB C 29 43.146 43.146 42.074 1.072 17614 73 1 . 1 1 17 17 LEU H H 29 7.732 7.732 7.384 0.348 17614 74 1 . 1 1 18 18 ILE N N 30 113.629 113.629 114.841 -1.212 17614 75 1 . 1 1 18 18 ILE C C 30 176.456 176.456 176.631 -0.175 17614 76 1 . 1 1 18 18 ILE CA C 30 60.539 60.539 63.202 -2.663 17614 77 1 . 1 1 18 18 ILE CB C 30 38.506 38.506 37.793 0.713 17614 78 1 . 1 1 18 18 ILE H H 30 7.977 7.977 7.620 0.357 17614 79 1 . 1 1 19 19 THR N N 31 113.314 113.314 114.363 -1.049 17614 80 1 . 1 1 19 19 THR C C 31 174.045 174.045 175.464 -1.419 17614 81 1 . 1 1 19 19 THR CA C 31 62.495 62.495 63.506 -1.011 17614 82 1 . 1 1 19 19 THR CB C 31 69.898 69.898 69.949 -0.051 17614 83 1 . 1 1 19 19 THR H H 31 7.738 7.738 7.242 0.496 17614 84 1 . 1 1 20 20 PHE N N 32 123.409 123.409 123.832 -0.423 17614 85 1 . 1 1 20 20 PHE CA C 32 56.349 56.349 62.146 -5.797 17614 86 1 . 1 1 20 20 PHE CB C 32 39.148 39.148 37.156 1.992 17614 87 1 . 1 1 20 20 PHE H H 32 7.609 7.609 8.492 -0.883 17614 88 1 . 1 1 21 21 PRO C C 33 177.831 177.831 177.662 0.169 17614 89 1 . 1 1 21 21 PRO CA C 33 62.656 62.656 65.009 -2.353 17614 90 1 . 1 1 21 21 PRO CB C 33 34.762 34.762 31.023 3.739 17614 91 1 . 1 1 22 22 LEU N N 34 124.503 124.503 117.525 6.978 17614 92 1 . 1 1 22 22 LEU C C 34 176.298 176.298 178.282 -1.984 17614 93 1 . 1 1 22 22 LEU CA C 34 55.545 55.545 57.407 -1.862 17614 94 1 . 1 1 22 22 LEU CB C 34 43.287 43.287 41.500 1.787 17614 95 1 . 1 1 22 22 LEU H H 34 8.659 8.659 7.251 1.408 17614 96 1 . 1 1 23 23 ASP N N 35 121.663 121.663 118.403 3.260 17614 97 1 . 1 1 23 23 ASP C C 35 177.152 177.152 178.052 -0.900 17614 98 1 . 1 1 23 23 ASP CA C 35 54.326 54.326 57.227 -2.901 17614 99 1 . 1 1 23 23 ASP CB C 35 41.154 41.154 40.298 0.856 17614 100 1 . 1 1 23 23 ASP H H 35 8.236 8.236 7.684 0.552 17614 101 1 . 1 1 24 24 THR N N 36 115.977 115.977 112.746 3.231 17614 102 1 . 1 1 24 24 THR C C 36 177.088 177.088 176.166 0.922 17614 103 1 . 1 1 24 24 THR CA C 36 64.868 64.868 65.727 -0.859 17614 104 1 . 1 1 24 24 THR CB C 36 69.053 69.053 68.531 0.522 17614 105 1 . 1 1 24 24 THR H H 36 8.127 8.127 7.792 0.335 17614 106 1 . 1 1 25 25 ALA N N 37 125.063 125.063 123.619 1.444 17614 107 1 . 1 1 25 25 ALA C C 37 179.143 179.143 179.287 -0.144 17614 108 1 . 1 1 25 25 ALA CA C 37 55.234 55.234 55.011 0.223 17614 109 1 . 1 1 25 25 ALA CB C 37 18.735 18.735 18.346 0.389 17614 110 1 . 1 1 25 25 ALA H H 37 8.042 8.042 7.810 0.232 17614 111 1 . 1 1 26 26 LYS N N 38 117.827 117.827 118.262 -0.435 17614 112 1 . 1 1 26 26 LYS C C 38 178.239 178.239 178.457 -0.218 17614 113 1 . 1 1 26 26 LYS CA C 38 58.861 58.861 58.997 -0.136 17614 114 1 . 1 1 26 26 LYS CB C 38 32.724 32.724 32.032 0.692 17614 115 1 . 1 1 26 26 LYS H H 38 7.759 7.759 7.519 0.240 17614 116 1 . 1 1 27 27 VAL N N 39 118.955 118.955 117.296 1.659 17614 117 1 . 1 1 27 27 VAL C C 39 177.892 177.892 177.887 0.005 17614 118 1 . 1 1 27 27 VAL CA C 39 65.478 65.478 64.992 0.486 17614 119 1 . 1 1 27 27 VAL CB C 39 34.675 34.675 31.597 3.078 17614 120 1 . 1 1 27 27 VAL H H 39 7.554 7.554 7.457 0.097 17614 121 1 . 1 1 28 28 ARG N N 40 119.922 119.922 118.975 0.947 17614 122 1 . 1 1 28 28 ARG C C 40 178.391 178.391 178.810 -0.419 17614 123 1 . 1 1 28 28 ARG CA C 40 59.648 59.648 57.940 1.708 17614 124 1 . 1 1 28 28 ARG CB C 40 29.933 29.933 29.963 -0.030 17614 125 1 . 1 1 28 28 ARG H H 40 7.794 7.794 7.455 0.339 17614 126 1 . 1 1 29 29 LEU N N 41 118.720 118.720 120.706 -1.986 17614 127 1 . 1 1 29 29 LEU CA C 41 54.749 54.749 55.198 -0.449 17614 128 1 . 1 1 29 29 LEU CB C 41 40.429 40.429 39.815 0.614 17614 129 1 . 1 1 29 29 LEU H H 41 7.534 7.534 7.678 -0.144 17614 130 1 . 1 1 37 37 GLY C C 49 174.779 174.779 175.124 -0.345 17614 131 1 . 1 1 38 38 LEU N N 50 123.029 123.029 121.472 1.557 17614 132 1 . 1 1 38 38 LEU C C 50 178.482 178.482 178.250 0.232 17614 133 1 . 1 1 38 38 LEU CA C 50 56.765 56.765 57.187 -0.422 17614 134 1 . 1 1 38 38 LEU CB C 50 41.673 41.673 41.540 0.133 17614 135 1 . 1 1 38 38 LEU H H 50 8.113 8.113 7.919 0.194 17614 136 1 . 1 1 39 39 VAL N N 51 118.714 118.714 118.108 0.606 17614 137 1 . 1 1 39 39 VAL C C 51 178.032 178.032 177.624 0.408 17614 138 1 . 1 1 39 39 VAL CA C 51 66.037 66.037 65.833 0.204 17614 139 1 . 1 1 39 39 VAL CB C 51 30.763 30.763 31.326 -0.563 17614 140 1 . 1 1 39 39 VAL H H 51 7.974 7.974 7.912 0.062 17614 141 1 . 1 1 40 40 ARG N N 52 121.569 121.569 117.560 4.009 17614 142 1 . 1 1 40 40 ARG CA C 52 59.167 59.167 58.545 0.622 17614 143 1 . 1 1 40 40 ARG CB C 52 29.437 29.437 29.720 -0.283 17614 144 1 . 1 1 40 40 ARG H H 52 8.231 8.231 8.149 0.082 17614 145 1 . 1 1 41 41 THR C C 53 175.108 175.108 174.821 0.287 17614 146 1 . 1 1 41 41 THR H H 53 7.948 7.948 7.468 0.480 17614 147 1 . 1 1 42 42 ALA N N 54 121.823 121.823 123.442 -1.619 17614 148 1 . 1 1 42 42 ALA C C 54 174.922 174.922 176.058 -1.136 17614 149 1 . 1 1 42 42 ALA CA C 54 50.101 50.101 51.344 -1.243 17614 150 1 . 1 1 42 42 ALA CB C 54 18.950 18.950 19.760 -0.810 17614 151 1 . 1 1 42 42 ALA H H 54 7.792 7.792 7.714 0.078 17614 152 1 . 1 1 43 43 ALA N N 55 113.986 113.986 123.059 -9.073 17614 153 1 . 1 1 43 43 ALA C C 55 178.007 178.007 177.057 0.950 17614 154 1 . 1 1 43 43 ALA CA C 55 53.458 53.458 53.035 0.423 17614 155 1 . 1 1 43 43 ALA CB C 55 18.809 18.809 19.146 -0.337 17614 156 1 . 1 1 43 43 ALA H H 55 7.333 7.333 8.485 -1.152 17614 157 1 . 1 1 44 44 SER N N 56 125.425 125.425 113.991 11.434 17614 158 1 . 1 1 44 44 SER C C 56 174.899 174.899 173.953 0.946 17614 159 1 . 1 1 44 44 SER CA C 56 59.520 59.520 57.305 2.215 17614 160 1 . 1 1 44 44 SER CB C 56 64.051 64.051 64.023 0.028 17614 161 1 . 1 1 44 44 SER H H 56 7.786 7.786 7.664 0.122 17614 162 1 . 1 1 45 45 ALA N N 57 118.183 118.183 121.115 -2.932 17614 163 1 . 1 1 45 45 ALA CA C 57 53.783 53.783 52.957 0.826 17614 164 1 . 1 1 45 45 ALA CB C 57 17.599 17.599 17.809 -0.210 17614 165 1 . 1 1 45 45 ALA H H 57 8.018 8.018 8.032 -0.014 17614 166 1 . 1 1 47 47 TYR C C 59 177.662 177.662 176.368 1.294 17614 167 1 . 1 1 48 48 ARG N N 60 122.798 122.798 120.903 1.895 17614 168 1 . 1 1 48 48 ARG C C 60 177.956 177.956 176.482 1.474 17614 169 1 . 1 1 48 48 ARG CA C 60 58.711 58.711 57.168 1.543 17614 170 1 . 1 1 48 48 ARG CB C 60 30.659 30.659 30.397 0.262 17614 171 1 . 1 1 48 48 ARG H H 60 8.311 8.311 8.550 -0.239 17614 172 1 . 1 1 49 49 GLY N N 61 109.033 109.033 108.354 0.679 17614 173 1 . 1 1 49 49 GLY C C 61 176.064 176.064 175.375 0.689 17614 174 1 . 1 1 49 49 GLY CA C 61 46.592 46.592 45.191 1.401 17614 175 1 . 1 1 49 49 GLY H H 61 8.182 8.182 8.150 0.032 17614 176 1 . 1 1 50 50 VAL N N 62 123.218 123.218 124.989 -1.771 17614 177 1 . 1 1 50 50 VAL C C 62 177.540 177.540 177.362 0.178 17614 178 1 . 1 1 50 50 VAL CA C 62 66.277 66.277 64.555 1.722 17614 179 1 . 1 1 50 50 VAL CB C 62 32.355 32.355 31.992 0.363 17614 180 1 . 1 1 50 50 VAL H H 62 8.105 8.105 8.424 -0.319 17614 181 1 . 1 1 51 51 LEU N N 63 120.295 120.295 119.884 0.411 17614 182 1 . 1 1 51 51 LEU C C 63 178.628 178.628 179.197 -0.569 17614 183 1 . 1 1 51 51 LEU CA C 63 58.366 58.366 57.577 0.789 17614 184 1 . 1 1 51 51 LEU CB C 63 41.675 41.675 40.371 1.304 17614 185 1 . 1 1 51 51 LEU H H 63 8.182 8.182 8.328 -0.146 17614 186 1 . 1 1 52 52 GLY N N 64 106.013 106.013 105.920 0.093 17614 187 1 . 1 1 52 52 GLY C C 64 176.531 176.531 176.222 0.309 17614 188 1 . 1 1 52 52 GLY CA C 64 47.765 47.765 47.207 0.558 17614 189 1 . 1 1 52 52 GLY H H 64 8.102 8.102 7.858 0.244 17614 190 1 . 1 1 53 53 THR N N 65 120.842 120.842 118.146 2.696 17614 191 1 . 1 1 53 53 THR C C 65 176.453 176.453 176.538 -0.085 17614 192 1 . 1 1 53 53 THR CA C 65 67.140 67.140 66.150 0.990 17614 193 1 . 1 1 53 53 THR CB C 65 69.161 69.161 68.732 0.429 17614 194 1 . 1 1 53 53 THR H H 65 7.854 7.854 7.459 0.395 17614 195 1 . 1 1 54 54 ILE N N 66 122.676 122.676 121.048 1.628 17614 196 1 . 1 1 54 54 ILE C C 66 177.307 177.307 177.436 -0.129 17614 197 1 . 1 1 54 54 ILE CA C 66 65.832 65.832 64.220 1.612 17614 198 1 . 1 1 54 54 ILE CB C 66 38.090 38.090 37.428 0.662 17614 199 1 . 1 1 54 54 ILE H H 66 8.018 8.018 7.440 0.578 17614 200 1 . 1 1 55 55 LEU N N 67 119.838 119.838 119.333 0.505 17614 201 1 . 1 1 55 55 LEU C C 67 178.706 178.706 178.593 0.113 17614 202 1 . 1 1 55 55 LEU CA C 67 58.491 58.491 58.150 0.341 17614 203 1 . 1 1 55 55 LEU CB C 67 41.387 41.387 41.181 0.206 17614 204 1 . 1 1 55 55 LEU H H 67 8.291 8.291 7.566 0.725 17614 205 1 . 1 1 56 56 THR N N 68 115.362 115.362 115.292 0.070 17614 206 1 . 1 1 56 56 THR C C 68 176.764 176.764 176.607 0.157 17614 207 1 . 1 1 56 56 THR CA C 68 67.040 67.040 66.466 0.574 17614 208 1 . 1 1 56 56 THR CB C 68 69.403 69.403 68.754 0.649 17614 209 1 . 1 1 56 56 THR H H 68 7.963 7.963 7.260 0.703 17614 210 1 . 1 1 57 57 MET N N 69 122.960 122.960 119.944 3.016 17614 211 1 . 1 1 57 57 MET C C 69 177.153 177.153 177.902 -0.749 17614 212 1 . 1 1 57 57 MET CA C 69 59.710 59.710 58.765 0.945 17614 213 1 . 1 1 57 57 MET CB C 69 33.111 33.111 32.180 0.931 17614 214 1 . 1 1 57 57 MET H H 69 7.977 7.977 7.635 0.342 17614 215 1 . 1 1 58 58 VAL N N 70 119.558 119.558 117.836 1.722 17614 216 1 . 1 1 58 58 VAL C C 70 176.841 176.841 177.527 -0.686 17614 217 1 . 1 1 58 58 VAL CA C 70 66.277 66.277 64.993 1.284 17614 218 1 . 1 1 58 58 VAL CB C 70 31.362 31.362 31.558 -0.196 17614 219 1 . 1 1 58 58 VAL H H 70 7.751 7.751 7.481 0.270 17614 220 1 . 1 1 59 59 ARG N N 71 118.002 118.002 118.157 -0.155 17614 221 1 . 1 1 59 59 ARG C C 71 177.152 177.152 178.029 -0.877 17614 222 1 . 1 1 59 59 ARG CA C 71 58.761 58.761 58.129 0.632 17614 223 1 . 1 1 59 59 ARG CB C 71 30.656 30.656 30.013 0.643 17614 224 1 . 1 1 59 59 ARG H H 71 7.827 7.827 7.555 0.272 17614 225 1 . 1 1 60 60 THR N N 72 111.410 111.410 114.545 -3.135 17614 226 1 . 1 1 60 60 THR C C 72 175.288 175.288 175.654 -0.366 17614 227 1 . 1 1 60 60 THR CA C 72 64.194 64.194 65.500 -1.306 17614 228 1 . 1 1 60 60 THR CB C 72 70.312 70.312 69.054 1.257 17614 229 1 . 1 1 60 60 THR H H 72 7.745 7.745 7.672 0.073 17614 230 1 . 1 1 61 61 GLU N N 73 120.577 120.577 119.000 1.577 17614 231 1 . 1 1 61 61 GLU C C 73 177.696 177.696 176.220 1.476 17614 232 1 . 1 1 61 61 GLU CA C 73 57.363 57.363 56.452 0.911 17614 233 1 . 1 1 61 61 GLU CB C 73 30.927 30.927 31.815 -0.888 17614 234 1 . 1 1 61 61 GLU H H 73 8.263 8.263 8.077 0.186 17614 235 1 . 1 1 62 62 GLY N N 74 108.209 108.209 106.813 1.396 17614 236 1 . 1 1 62 62 GLY CA C 74 45.593 45.593 44.761 0.832 17614 237 1 . 1 1 62 62 GLY H H 74 7.841 7.841 7.441 0.400 17614 238 1 . 1 1 63 63 PRO C C 75 177.152 177.152 178.447 -1.295 17614 239 1 . 1 1 63 63 PRO CA C 75 65.652 65.652 64.548 1.105 17614 240 1 . 1 1 63 63 PRO CB C 75 32.294 32.294 32.211 0.083 17614 241 1 . 1 1 64 64 ARG N N 76 118.553 118.553 117.081 1.472 17614 242 1 . 1 1 64 64 ARG C C 76 177.696 177.696 177.672 0.024 17614 243 1 . 1 1 64 64 ARG CA C 76 59.785 59.785 58.237 1.548 17614 244 1 . 1 1 64 64 ARG CB C 76 29.671 29.671 29.359 0.312 17614 245 1 . 1 1 64 64 ARG H H 76 8.427 8.427 8.595 -0.168 17614 246 1 . 1 1 65 65 SER N N 77 115.323 115.323 113.959 1.364 17614 247 1 . 1 1 65 65 SER C C 77 177.230 177.230 175.658 1.572 17614 248 1 . 1 1 65 65 SER CA C 77 61.318 61.318 60.745 0.573 17614 249 1 . 1 1 65 65 SER CB C 77 63.281 63.281 63.523 -0.242 17614 250 1 . 1 1 65 65 SER H H 77 7.963 7.963 8.097 -0.134 17614 251 1 . 1 1 66 66 LEU N N 78 122.598 122.598 120.576 2.022 17614 252 1 . 1 1 66 66 LEU C C 78 177.696 177.696 177.842 -0.146 17614 253 1 . 1 1 66 66 LEU CA C 78 57.792 57.792 56.771 1.021 17614 254 1 . 1 1 66 66 LEU CB C 78 42.202 42.202 42.183 0.019 17614 255 1 . 1 1 66 66 LEU H H 78 7.595 7.595 7.554 0.041 17614 256 1 . 1 1 67 67 TYR N N 79 119.276 119.276 113.876 5.400 17614 257 1 . 1 1 67 67 TYR C C 79 176.142 176.142 175.628 0.514 17614 258 1 . 1 1 67 67 TYR CA C 79 60.792 60.792 58.643 2.149 17614 259 1 . 1 1 67 67 TYR CB C 79 38.687 38.687 38.464 0.223 17614 260 1 . 1 1 67 67 TYR H H 79 7.868 7.868 7.476 0.392 17614 261 1 . 1 1 68 68 ASN N N 80 117.249 117.249 117.874 -0.625 17614 262 1 . 1 1 68 68 ASN C C 80 178.472 178.472 175.578 2.894 17614 263 1 . 1 1 68 68 ASN CA C 80 53.024 53.024 53.017 0.008 17614 264 1 . 1 1 68 68 ASN CB C 80 37.946 37.946 38.568 -0.622 17614 265 1 . 1 1 68 68 ASN H H 80 8.374 8.374 7.460 0.914 17614 266 1 . 1 1 69 69 GLY N N 81 108.575 108.575 110.596 -2.021 17614 267 1 . 1 1 69 69 GLY C C 81 175.521 175.521 175.162 0.359 17614 268 1 . 1 1 69 69 GLY CA C 81 46.266 46.266 45.589 0.677 17614 269 1 . 1 1 69 69 GLY H H 81 8.086 8.086 8.323 -0.236 17614 270 1 . 1 1 70 70 LEU N N 82 124.326 124.326 121.937 2.389 17614 271 1 . 1 1 70 70 LEU C C 82 178.239 178.239 177.789 0.450 17614 272 1 . 1 1 70 70 LEU CA C 82 58.217 58.217 57.544 0.673 17614 273 1 . 1 1 70 70 LEU CB C 82 42.351 42.351 41.582 0.769 17614 274 1 . 1 1 70 70 LEU H H 82 7.991 7.991 7.610 0.381 17614 275 1 . 1 1 71 71 VAL N N 83 117.727 117.727 117.628 0.099 17614 276 1 . 1 1 71 71 VAL C C 83 177.851 177.851 177.021 0.830 17614 277 1 . 1 1 71 71 VAL CA C 83 64.113 64.113 64.830 -0.717 17614 278 1 . 1 1 71 71 VAL CB C 83 31.924 31.924 31.221 0.703 17614 279 1 . 1 1 71 71 VAL H H 83 8.004 8.004 8.094 -0.090 17614 280 1 . 1 1 72 72 ALA N N 84 121.414 121.414 121.901 -0.487 17614 281 1 . 1 1 72 72 ALA C C 84 180.570 180.570 179.551 1.019 17614 282 1 . 1 1 72 72 ALA CA C 84 55.031 55.031 54.512 0.519 17614 283 1 . 1 1 72 72 ALA CB C 84 18.286 18.286 18.330 -0.044 17614 284 1 . 1 1 72 72 ALA H H 84 7.677 7.677 7.376 0.301 17614 285 1 . 1 1 73 73 GLY N N 85 106.471 106.471 107.429 -0.958 17614 286 1 . 1 1 73 73 GLY C C 85 175.521 175.521 176.054 -0.533 17614 287 1 . 1 1 73 73 GLY CA C 85 47.191 47.191 46.627 0.564 17614 288 1 . 1 1 73 73 GLY H H 85 7.963 7.963 7.645 0.318 17614 289 1 . 1 1 74 74 LEU N N 86 122.326 122.326 122.149 0.177 17614 290 1 . 1 1 74 74 LEU C C 86 178.239 178.239 178.773 -0.534 17614 291 1 . 1 1 74 74 LEU CA C 86 57.493 57.493 57.527 -0.034 17614 292 1 . 1 1 74 74 LEU CB C 86 42.202 42.202 41.515 0.687 17614 293 1 . 1 1 74 74 LEU H H 86 8.100 8.100 7.434 0.666 17614 294 1 . 1 1 75 75 GLN N N 87 117.736 117.736 117.650 0.086 17614 295 1 . 1 1 75 75 GLN C C 87 177.340 177.340 178.033 -0.693 17614 296 1 . 1 1 75 75 GLN CA C 87 57.787 57.787 58.874 -1.087 17614 297 1 . 1 1 75 75 GLN CB C 87 28.942 28.942 28.176 0.766 17614 298 1 . 1 1 75 75 GLN H H 87 8.004 8.004 7.832 0.172 17614 299 1 . 1 1 76 76 ARG N N 88 118.107 118.107 119.554 -1.447 17614 300 1 . 1 1 76 76 ARG C C 88 177.930 177.930 178.792 -0.862 17614 301 1 . 1 1 76 76 ARG CA C 88 58.062 58.062 59.546 -1.484 17614 302 1 . 1 1 76 76 ARG CB C 88 30.774 30.774 29.807 0.967 17614 303 1 . 1 1 76 76 ARG H H 88 7.568 7.568 7.376 0.192 17614 304 1 . 1 1 77 77 GLN N N 89 117.921 117.921 118.018 -0.097 17614 305 1 . 1 1 77 77 GLN C C 89 177.375 177.375 178.413 -1.038 17614 306 1 . 1 1 77 77 GLN CA C 89 56.838 56.838 58.219 -1.381 17614 307 1 . 1 1 77 77 GLN CB C 89 29.006 29.006 28.364 0.642 17614 308 1 . 1 1 77 77 GLN H H 89 7.827 7.827 7.523 0.304 17614 309 1 . 1 1 78 78 MET N N 90 118.378 118.378 119.604 -1.226 17614 310 1 . 1 1 78 78 MET C C 90 176.365 176.365 178.103 -1.738 17614 311 1 . 1 1 78 78 MET CA C 90 56.339 56.339 58.169 -1.830 17614 312 1 . 1 1 78 78 MET CB C 90 33.444 33.444 32.327 1.117 17614 313 1 . 1 1 78 78 MET H H 90 7.963 7.963 8.431 -0.468 17614 314 1 . 1 1 79 79 SER N N 91 115.089 115.089 115.311 -0.222 17614 315 1 . 1 1 79 79 SER C C 91 175.899 175.899 176.556 -0.657 17614 316 1 . 1 1 79 79 SER CA C 91 58.621 58.621 61.212 -2.591 17614 317 1 . 1 1 79 79 SER CB C 91 64.337 64.337 62.812 1.525 17614 318 1 . 1 1 79 79 SER H H 91 7.868 7.868 7.859 0.009 17614 319 1 . 1 1 80 80 PHE N N 92 122.852 122.852 123.327 -0.475 17614 320 1 . 1 1 80 80 PHE C C 92 177.375 177.375 176.523 0.852 17614 321 1 . 1 1 80 80 PHE CA C 92 59.095 59.095 61.417 -2.322 17614 322 1 . 1 1 80 80 PHE CB C 92 38.937 38.937 39.046 -0.109 17614 323 1 . 1 1 80 80 PHE H H 92 8.332 8.332 7.568 0.764 17614 324 1 . 1 1 81 81 ALA N N 93 123.258 123.258 119.735 3.523 17614 325 1 . 1 1 81 81 ALA C C 93 178.628 178.628 178.868 -0.240 17614 326 1 . 1 1 81 81 ALA CA C 93 54.881 54.881 54.393 0.488 17614 327 1 . 1 1 81 81 ALA CB C 93 17.902 17.902 18.205 -0.303 17614 328 1 . 1 1 81 81 ALA H H 93 8.223 8.223 7.708 0.515 17614 329 1 . 1 1 82 82 SER N N 94 112.886 112.886 114.912 -2.026 17614 330 1 . 1 1 82 82 SER C C 94 176.831 176.831 177.008 -0.177 17614 331 1 . 1 1 82 82 SER CA C 94 60.319 60.319 61.063 -0.744 17614 332 1 . 1 1 82 82 SER CB C 94 63.611 63.611 63.496 0.115 17614 333 1 . 1 1 82 82 SER H H 94 7.977 7.977 7.593 0.384 17614 334 1 . 1 1 83 83 VAL N N 95 121.854 121.854 120.501 1.353 17614 335 1 . 1 1 83 83 VAL C C 95 176.220 176.220 176.336 -0.116 17614 336 1 . 1 1 83 83 VAL CA C 95 64.629 64.629 65.073 -0.444 17614 337 1 . 1 1 83 83 VAL CB C 95 31.328 31.328 31.253 0.075 17614 338 1 . 1 1 83 83 VAL H H 95 7.581 7.581 8.101 -0.520 17614 339 1 . 1 1 84 84 ARG N N 96 121.329 121.329 118.356 2.973 17614 340 1 . 1 1 84 84 ARG C C 96 176.814 176.814 176.997 -0.183 17614 341 1 . 1 1 84 84 ARG CA C 96 58.636 58.636 57.639 0.997 17614 342 1 . 1 1 84 84 ARG CB C 96 30.672 30.672 29.218 1.454 17614 343 1 . 1 1 84 84 ARG H H 96 7.936 7.936 7.224 0.712 17614 344 1 . 1 1 85 85 ILE N N 97 119.194 119.194 118.319 0.875 17614 345 1 . 1 1 85 85 ILE C C 97 177.152 177.152 176.255 0.897 17614 346 1 . 1 1 85 85 ILE CA C 97 63.296 63.296 61.994 1.302 17614 347 1 . 1 1 85 85 ILE CB C 97 38.757 38.757 38.383 0.375 17614 348 1 . 1 1 85 85 ILE H H 97 7.802 7.802 7.462 0.340 17614 349 1 . 1 1 86 86 GLY N N 98 109.857 109.857 107.779 2.078 17614 350 1 . 1 1 86 86 GLY C C 98 176.064 176.064 174.911 1.153 17614 351 1 . 1 1 86 86 GLY CA C 98 46.941 46.941 46.104 0.837 17614 352 1 . 1 1 86 86 GLY H H 98 8.127 8.127 7.681 0.446 17614 353 1 . 1 1 87 87 LEU N N 99 123.258 123.258 122.670 0.588 17614 354 1 . 1 1 87 87 LEU C C 99 177.856 177.856 178.066 -0.210 17614 355 1 . 1 1 87 87 LEU CA C 99 58.264 58.264 56.792 1.472 17614 356 1 . 1 1 87 87 LEU CB C 99 42.488 42.488 41.624 0.864 17614 357 1 . 1 1 87 87 LEU H H 99 8.223 8.223 8.123 0.100 17614 358 1 . 1 1 88 88 TYR N N 100 119.770 119.770 120.222 -0.452 17614 359 1 . 1 1 88 88 TYR C C 100 176.997 176.997 177.020 -0.023 17614 360 1 . 1 1 88 88 TYR CA C 100 61.592 61.592 62.122 -0.530 17614 361 1 . 1 1 88 88 TYR CB C 100 38.809 38.809 38.361 0.448 17614 362 1 . 1 1 88 88 TYR H H 100 8.207 8.207 7.970 0.237 17614 363 1 . 1 1 89 89 ASP N N 101 118.460 118.460 117.770 0.690 17614 364 1 . 1 1 89 89 ASP C C 101 178.939 178.939 178.519 0.420 17614 365 1 . 1 1 89 89 ASP CA C 101 57.797 57.797 57.124 0.673 17614 366 1 . 1 1 89 89 ASP CB C 101 40.498 40.498 40.243 0.255 17614 367 1 . 1 1 89 89 ASP H H 101 8.401 8.401 8.573 -0.172 17614 368 1 . 1 1 90 90 SER N N 102 116.022 116.022 115.717 0.305 17614 369 1 . 1 1 90 90 SER C C 102 176.005 176.005 176.364 -0.359 17614 370 1 . 1 1 90 90 SER CA C 102 62.791 62.791 61.683 1.108 17614 371 1 . 1 1 90 90 SER CB C 102 64.211 64.211 63.183 1.028 17614 372 1 . 1 1 90 90 SER H H 102 7.854 7.854 7.733 0.121 17614 373 1 . 1 1 91 91 VAL N N 103 120.844 120.844 120.445 0.399 17614 374 1 . 1 1 91 91 VAL C C 103 177.307 177.307 177.184 0.123 17614 375 1 . 1 1 91 91 VAL CA C 103 66.510 66.510 65.033 1.477 17614 376 1 . 1 1 91 91 VAL CB C 103 31.965 31.965 31.585 0.380 17614 377 1 . 1 1 91 91 VAL H H 103 7.926 7.926 7.532 0.394 17614 378 1 . 1 1 92 92 LYS N N 104 120.468 120.468 119.685 0.783 17614 379 1 . 1 1 92 92 LYS C C 104 178.861 178.861 178.890 -0.029 17614 380 1 . 1 1 92 92 LYS CA C 104 60.184 60.184 59.554 0.630 17614 381 1 . 1 1 92 92 LYS CB C 104 31.979 31.979 32.067 -0.088 17614 382 1 . 1 1 92 92 LYS H H 104 8.127 8.127 7.765 0.362 17614 383 1 . 1 1 93 93 GLN N N 105 118.386 118.386 117.247 1.139 17614 384 1 . 1 1 93 93 GLN C C 105 177.540 177.540 177.948 -0.408 17614 385 1 . 1 1 93 93 GLN CA C 105 58.786 58.786 57.755 1.031 17614 386 1 . 1 1 93 93 GLN CB C 105 28.377 28.377 28.707 -0.330 17614 387 1 . 1 1 93 93 GLN H H 105 7.841 7.841 7.866 -0.025 17614 388 1 . 1 1 94 94 PHE N N 106 119.471 119.471 118.169 1.302 17614 389 1 . 1 1 94 94 PHE C C 106 176.531 176.531 175.595 0.936 17614 390 1 . 1 1 94 94 PHE CA C 106 60.593 60.593 60.144 0.449 17614 391 1 . 1 1 94 94 PHE CB C 106 39.459 39.459 39.368 0.091 17614 392 1 . 1 1 94 94 PHE H H 106 7.772 7.772 7.544 0.228 17614 393 1 . 1 1 95 95 TYR N N 107 118.288 118.288 114.420 3.868 17614 394 1 . 1 1 95 95 TYR C C 107 176.220 176.220 176.602 -0.382 17614 395 1 . 1 1 95 95 TYR CA C 107 60.543 60.543 58.553 1.990 17614 396 1 . 1 1 95 95 TYR CB C 107 38.819 38.819 40.072 -1.253 17614 397 1 . 1 1 95 95 TYR H H 107 8.045 8.045 7.373 0.672 17614 398 1 . 1 1 96 96 THR N N 108 113.383 113.383 112.622 0.761 17614 399 1 . 1 1 96 96 THR C C 108 175.288 175.288 174.658 0.630 17614 400 1 . 1 1 96 96 THR CA C 108 64.094 64.094 62.077 2.017 17614 401 1 . 1 1 96 96 THR CB C 108 69.986 69.986 68.840 1.146 17614 402 1 . 1 1 96 96 THR H H 108 7.868 7.868 7.634 0.234 17614 403 1 . 1 1 101 101 HIS C C 113 173.413 173.413 173.992 -0.579 17614 404 1 . 1 1 101 101 HIS H H 113 7.968 7.968 8.595 -0.627 17614 405 1 . 1 1 102 102 ALA N N 114 119.456 119.456 122.663 -3.207 17614 406 1 . 1 1 102 102 ALA C C 114 177.851 177.851 176.167 1.684 17614 407 1 . 1 1 102 102 ALA CA C 114 53.283 53.283 52.214 1.069 17614 408 1 . 1 1 102 102 ALA CB C 114 19.362 19.362 19.229 0.132 17614 409 1 . 1 1 102 102 ALA H H 114 8.433 8.433 7.912 0.521 17614 410 1 . 1 1 103 103 GLY N N 115 108.484 108.484 105.524 2.960 17614 411 1 . 1 1 103 103 GLY C C 115 174.822 174.822 175.081 -0.259 17614 412 1 . 1 1 103 103 GLY CA C 115 45.968 45.968 45.155 0.813 17614 413 1 . 1 1 103 103 GLY H H 115 8.250 8.250 8.160 0.090 17614 414 1 . 1 1 104 104 ILE N N 116 121.139 121.139 121.641 -0.502 17614 415 1 . 1 1 104 104 ILE C C 116 176.841 176.841 177.408 -0.567 17614 416 1 . 1 1 104 104 ILE CA C 116 63.160 63.160 63.786 -0.626 17614 417 1 . 1 1 104 104 ILE CB C 116 38.853 38.853 37.659 1.194 17614 418 1 . 1 1 104 104 ILE H H 116 8.127 8.127 8.158 -0.031 17614 419 1 . 1 1 105 105 GLY N N 117 110.863 110.863 107.274 3.589 17614 420 1 . 1 1 105 105 GLY C C 117 174.588 174.588 176.145 -1.557 17614 421 1 . 1 1 105 105 GLY CA C 117 46.791 46.791 47.256 -0.465 17614 422 1 . 1 1 105 105 GLY H H 117 8.509 8.509 8.423 0.086 17614 423 1 . 1 1 106 106 SER N N 118 116.069 116.069 117.869 -1.800 17614 424 1 . 1 1 106 106 SER C C 118 175.754 175.754 176.793 -1.039 17614 425 1 . 1 1 106 106 SER CA C 118 60.319 60.319 61.553 -1.234 17614 426 1 . 1 1 106 106 SER CB C 118 63.864 63.864 62.798 1.066 17614 427 1 . 1 1 106 106 SER H H 118 7.991 7.991 8.054 -0.063 17614 428 1 . 1 1 107 107 ARG N N 119 122.134 122.134 121.546 0.588 17614 429 1 . 1 1 107 107 ARG C C 119 178.228 178.228 178.675 -0.447 17614 430 1 . 1 1 107 107 ARG CA C 119 57.787 57.787 59.331 -1.544 17614 431 1 . 1 1 107 107 ARG CB C 119 30.549 30.549 29.957 0.592 17614 432 1 . 1 1 107 107 ARG H H 119 7.963 7.963 8.351 -0.388 17614 433 1 . 1 1 108 108 LEU N N 120 120.403 120.403 121.346 -0.943 17614 434 1 . 1 1 108 108 LEU C C 120 177.230 177.230 178.948 -1.718 17614 435 1 . 1 1 108 108 LEU CA C 120 57.967 57.967 58.161 -0.194 17614 436 1 . 1 1 108 108 LEU CB C 120 42.146 42.146 41.682 0.465 17614 437 1 . 1 1 108 108 LEU H H 120 7.914 7.914 7.671 0.243 17614 438 1 . 1 1 109 109 LEU N N 121 118.960 118.960 119.835 -0.875 17614 439 1 . 1 1 109 109 LEU C C 121 177.152 177.152 179.041 -1.889 17614 440 1 . 1 1 109 109 LEU CA C 121 55.495 55.495 58.102 -2.607 17614 441 1 . 1 1 109 109 LEU CB C 121 42.238 42.238 41.431 0.807 17614 442 1 . 1 1 109 109 LEU H H 121 7.718 7.718 8.326 -0.608 17614 443 1 . 1 1 110 110 ALA N N 122 123.063 123.063 121.517 1.546 17614 444 1 . 1 1 110 110 ALA C C 122 178.317 178.317 179.866 -1.549 17614 445 1 . 1 1 110 110 ALA CA C 122 53.358 53.358 55.460 -2.102 17614 446 1 . 1 1 110 110 ALA CB C 122 19.218 19.218 18.149 1.069 17614 447 1 . 1 1 110 110 ALA H H 122 7.745 7.745 8.875 -1.130 17614 448 1 . 1 1 111 111 GLY N N 123 107.843 107.843 106.659 1.184 17614 449 1 . 1 1 111 111 GLY C C 123 176.912 176.912 176.468 0.444 17614 450 1 . 1 1 111 111 GLY CA C 123 45.943 45.943 47.078 -1.135 17614 451 1 . 1 1 111 111 GLY H H 123 8.113 8.113 8.853 -0.740 17614 452 1 . 1 1 112 112 SER N N 124 116.105 116.105 117.825 -1.720 17614 453 1 . 1 1 112 112 SER C C 124 175.574 175.574 176.850 -1.276 17614 454 1 . 1 1 112 112 SER CA C 124 59.145 59.145 61.930 -2.785 17614 455 1 . 1 1 112 112 SER CB C 124 64.211 64.211 63.073 1.138 17614 456 1 . 1 1 112 112 SER H H 124 8.109 8.109 8.518 -0.409 17614 457 1 . 1 1 113 113 THR N N 125 116.069 116.069 118.134 -2.065 17614 458 1 . 1 1 113 113 THR C C 125 176.055 176.055 176.745 -0.690 17614 459 1 . 1 1 113 113 THR CA C 125 66.921 66.921 66.519 0.402 17614 460 1 . 1 1 113 113 THR CB C 125 69.682 69.682 68.786 0.896 17614 461 1 . 1 1 113 113 THR H H 125 8.086 8.086 8.317 -0.231 17614 462 1 . 1 1 114 114 THR N N 126 115.439 115.439 117.038 -1.599 17614 463 1 . 1 1 114 114 THR C C 126 177.443 177.443 176.673 0.770 17614 464 1 . 1 1 114 114 THR CA C 126 65.285 65.285 66.420 -1.135 17614 465 1 . 1 1 114 114 THR CB C 126 68.364 68.364 68.291 0.073 17614 466 1 . 1 1 114 114 THR H H 126 7.977 7.977 8.429 -0.452 17614 467 1 . 1 1 115 115 GLY N N 127 115.453 115.453 108.743 6.710 17614 468 1 . 1 1 115 115 GLY C C 127 174.215 174.215 175.110 -0.895 17614 469 1 . 1 1 115 115 GLY CA C 127 46.117 46.117 46.822 -0.705 17614 470 1 . 1 1 115 115 GLY H H 127 8.168 8.168 8.122 0.046 17614 471 1 . 1 1 116 116 ALA N N 128 123.952 123.952 124.664 -0.712 17614 472 1 . 1 1 116 116 ALA C C 128 178.162 178.162 179.470 -1.308 17614 473 1 . 1 1 116 116 ALA CA C 128 53.349 53.349 54.723 -1.374 17614 474 1 . 1 1 116 116 ALA CB C 128 19.099 19.099 18.435 0.664 17614 475 1 . 1 1 116 116 ALA H H 128 7.919 7.919 7.469 0.450 17614 476 1 . 1 1 117 117 LEU N N 129 120.025 120.025 119.018 1.007 17614 477 1 . 1 1 117 117 LEU C C 129 177.949 177.949 178.861 -0.912 17614 478 1 . 1 1 117 117 LEU CA C 129 56.019 56.019 57.305 -1.286 17614 479 1 . 1 1 117 117 LEU CB C 129 42.340 42.340 41.327 1.013 17614 480 1 . 1 1 117 117 LEU H H 129 7.936 7.936 7.579 0.357 17614 481 1 . 1 1 118 118 ALA N N 130 123.402 123.402 121.339 2.063 17614 482 1 . 1 1 118 118 ALA C C 130 177.929 177.929 179.549 -1.620 17614 483 1 . 1 1 118 118 ALA CA C 130 53.283 53.283 55.075 -1.792 17614 484 1 . 1 1 118 118 ALA CB C 130 18.964 18.964 18.314 0.650 17614 485 1 . 1 1 118 118 ALA H H 130 7.868 7.868 8.131 -0.263 17614 486 1 . 1 1 119 119 VAL N N 131 118.111 118.111 116.367 1.744 17614 487 1 . 1 1 119 119 VAL C C 131 176.025 176.025 177.390 -1.365 17614 488 1 . 1 1 119 119 VAL CA C 131 63.180 63.180 64.870 -1.690 17614 489 1 . 1 1 119 119 VAL CB C 131 32.898 32.898 31.108 1.790 17614 490 1 . 1 1 119 119 VAL H H 131 7.636 7.636 7.939 -0.303 17614 491 1 . 1 1 120 120 ALA N N 132 124.047 124.047 122.426 1.621 17614 492 1 . 1 1 120 120 ALA C C 132 179.008 179.008 178.716 0.292 17614 493 1 . 1 1 120 120 ALA CA C 132 53.707 53.707 54.653 -0.946 17614 494 1 . 1 1 120 120 ALA CB C 132 19.150 19.150 18.705 0.445 17614 495 1 . 1 1 120 120 ALA H H 132 7.911 7.911 7.571 0.340 17614 496 1 . 1 1 121 121 VAL N N 133 113.349 113.349 118.087 -4.738 17614 497 1 . 1 1 121 121 VAL C C 133 175.527 175.527 176.243 -0.716 17614 498 1 . 1 1 121 121 VAL CA C 133 64.115 64.115 63.534 0.581 17614 499 1 . 1 1 121 121 VAL CB C 133 31.832 31.832 32.540 -0.708 17614 500 1 . 1 1 121 121 VAL H H 133 7.094 7.094 7.490 -0.396 17614 501 1 . 1 1 122 122 ALA N N 134 123.224 123.224 120.733 2.491 17614 502 1 . 1 1 122 122 ALA CA C 134 55.493 55.493 51.609 3.884 17614 503 1 . 1 1 122 122 ALA H H 134 7.586 7.586 7.523 0.063 17614 504 1 . 1 1 124 124 PRO C C 136 177.074 177.074 178.544 -1.470 17614 505 1 . 1 1 125 125 THR N N 137 113.281 113.281 110.452 2.829 17614 506 1 . 1 1 125 125 THR C C 137 174.485 174.485 176.504 -2.019 17614 507 1 . 1 1 125 125 THR CA C 137 64.496 64.496 66.453 -1.957 17614 508 1 . 1 1 125 125 THR CB C 137 69.997 69.997 68.246 1.751 17614 509 1 . 1 1 125 125 THR H H 137 7.963 7.963 8.212 -0.249 17614 510 1 . 1 1 126 126 ASP N N 138 122.770 122.770 122.016 0.754 17614 511 1 . 1 1 126 126 ASP C C 138 178.458 178.458 178.496 -0.038 17614 512 1 . 1 1 126 126 ASP CA C 138 56.776 56.776 57.185 -0.409 17614 513 1 . 1 1 126 126 ASP CB C 138 41.023 41.023 40.541 0.482 17614 514 1 . 1 1 126 126 ASP H H 138 8.094 8.094 7.687 0.407 17614 515 1 . 1 1 127 127 VAL N N 139 119.931 119.931 118.782 1.149 17614 516 1 . 1 1 127 127 VAL C C 139 177.502 177.502 177.982 -0.480 17614 517 1 . 1 1 127 127 VAL CA C 139 66.455 66.455 66.122 0.333 17614 518 1 . 1 1 127 127 VAL CB C 139 32.804 32.804 31.531 1.273 17614 519 1 . 1 1 127 127 VAL H H 139 7.753 7.753 7.731 0.022 17614 520 1 . 1 1 128 128 VAL N N 140 120.539 120.539 119.261 1.278 17614 521 1 . 1 1 128 128 VAL C C 140 176.232 176.232 177.877 -1.645 17614 522 1 . 1 1 128 128 VAL CA C 140 66.770 66.770 66.653 0.117 17614 523 1 . 1 1 128 128 VAL CB C 140 32.086 32.086 31.169 0.917 17614 524 1 . 1 1 128 128 VAL H H 140 8.295 8.295 7.930 0.365 17614 525 1 . 1 1 129 129 LYS N N 141 120.122 120.122 120.227 -0.105 17614 526 1 . 1 1 129 129 LYS C C 141 176.120 176.120 179.077 -2.957 17614 527 1 . 1 1 129 129 LYS CA C 141 55.991 55.991 59.858 -3.867 17614 528 1 . 1 1 129 129 LYS CB C 141 31.712 31.712 32.208 -0.496 17614 529 1 . 1 1 129 129 LYS H H 141 7.698 7.698 7.614 0.084 17614 530 1 . 1 1 130 130 VAL N N 142 120.104 120.104 118.568 1.536 17614 531 1 . 1 1 130 130 VAL CA C 142 63.230 63.230 65.824 -2.594 17614 532 1 . 1 1 130 130 VAL H H 142 7.772 7.772 7.463 0.309 17614 533 1 . 1 1 131 131 ARG C C 143 178.401 178.401 178.694 -0.293 17614 534 1 . 1 1 131 131 ARG H H 143 7.999 7.999 7.764 0.235 17614 535 1 . 1 1 132 132 PHE N N 144 120.445 120.445 119.975 0.470 17614 536 1 . 1 1 132 132 PHE C C 144 177.856 177.856 176.482 1.374 17614 537 1 . 1 1 132 132 PHE CA C 144 61.438 61.438 60.922 0.516 17614 538 1 . 1 1 132 132 PHE H H 144 8.395 8.395 8.603 -0.208 17614 539 1 . 1 1 133 133 GLN N N 145 124.180 124.180 117.492 6.688 17614 540 1 . 1 1 133 133 GLN C C 145 174.844 174.844 177.465 -2.621 17614 541 1 . 1 1 133 133 GLN CA C 145 56.414 56.414 58.018 -1.604 17614 542 1 . 1 1 133 133 GLN CB C 145 30.721 30.721 29.135 1.586 17614 543 1 . 1 1 133 133 GLN H H 145 8.094 8.094 7.813 0.281 17614 544 1 . 1 1 134 134 ALA N N 146 120.452 120.452 120.392 0.060 17614 545 1 . 1 1 134 134 ALA C C 146 177.929 177.929 177.771 0.158 17614 546 1 . 1 1 134 134 ALA CA C 146 53.483 53.483 53.251 0.232 17614 547 1 . 1 1 134 134 ALA CB C 146 18.431 18.431 18.953 -0.522 17614 548 1 . 1 1 134 134 ALA H H 146 7.939 7.939 7.400 0.539 17614 549 1 . 1 1 135 135 GLN N N 147 119.388 119.388 118.849 0.539 17614 550 1 . 1 1 135 135 GLN C C 147 176.029 176.029 175.040 0.989 17614 551 1 . 1 1 135 135 GLN CA C 147 56.339 56.339 56.195 0.144 17614 552 1 . 1 1 135 135 GLN CB C 147 29.444 29.444 28.275 1.169 17614 553 1 . 1 1 135 135 GLN H H 147 8.072 8.072 7.521 0.551 17614 554 1 . 1 1 136 136 ALA N N 148 125.199 125.199 128.557 -3.358 17614 555 1 . 1 1 136 136 ALA C C 148 177.766 177.766 177.721 0.045 17614 556 1 . 1 1 136 136 ALA CA C 148 53.108 53.108 52.540 0.568 17614 557 1 . 1 1 136 136 ALA CB C 148 19.151 19.151 19.442 -0.291 17614 558 1 . 1 1 136 136 ALA H H 148 8.055 8.055 8.229 -0.174 17614 559 1 . 1 1 137 137 ARG N N 149 120.208 120.208 119.547 0.661 17614 560 1 . 1 1 137 137 ARG CA C 149 56.414 56.414 55.796 0.618 17614 561 1 . 1 1 137 137 ARG CB C 149 30.749 30.749 30.050 0.699 17614 562 1 . 1 1 137 137 ARG H H 149 8.018 8.018 8.160 -0.142 17614 563 1 . 1 1 147 147 THR C C 159 175.928 175.928 176.413 -0.485 17614 564 1 . 1 1 148 148 VAL N N 160 118.321 118.321 120.454 -2.133 17614 565 1 . 1 1 148 148 VAL C C 160 177.749 177.749 177.602 0.147 17614 566 1 . 1 1 148 148 VAL CA C 160 64.126 64.126 65.882 -1.756 17614 567 1 . 1 1 148 148 VAL CB C 160 31.343 31.343 31.323 0.020 17614 568 1 . 1 1 148 148 VAL H H 160 8.073 8.073 8.009 0.064 17614 569 1 . 1 1 149 149 GLU N N 161 122.379 122.379 120.037 2.342 17614 570 1 . 1 1 149 149 GLU C C 161 178.783 178.783 178.503 0.280 17614 571 1 . 1 1 149 149 GLU CA C 161 59.550 59.550 59.279 0.271 17614 572 1 . 1 1 149 149 GLU CB C 161 29.597 29.597 29.031 0.566 17614 573 1 . 1 1 149 149 GLU H H 161 8.204 8.204 8.257 -0.053 17614 574 1 . 1 1 150 150 ALA N N 162 122.845 122.845 123.167 -0.322 17614 575 1 . 1 1 150 150 ALA C C 162 179.948 179.948 179.417 0.531 17614 576 1 . 1 1 150 150 ALA CA C 162 55.181 55.181 55.091 0.090 17614 577 1 . 1 1 150 150 ALA CB C 162 18.154 18.154 18.520 -0.366 17614 578 1 . 1 1 150 150 ALA H H 162 7.786 7.786 8.438 -0.652 17614 579 1 . 1 1 151 151 TYR N N 163 118.902 118.902 119.646 -0.744 17614 580 1 . 1 1 151 151 TYR C C 163 177.273 177.273 177.794 -0.521 17614 581 1 . 1 1 151 151 TYR CA C 163 61.068 61.068 61.599 -0.531 17614 582 1 . 1 1 151 151 TYR CB C 163 37.898 37.898 38.648 -0.751 17614 583 1 . 1 1 151 151 TYR H H 163 7.922 7.922 8.040 -0.118 17614 584 1 . 1 1 152 152 LYS N N 164 119.939 119.939 118.203 1.736 17614 585 1 . 1 1 152 152 LYS C C 164 178.239 178.239 179.077 -0.838 17614 586 1 . 1 1 152 152 LYS CA C 164 60.309 60.309 59.279 1.030 17614 587 1 . 1 1 152 152 LYS CB C 164 32.504 32.504 32.352 0.152 17614 588 1 . 1 1 152 152 LYS H H 164 8.223 8.223 7.603 0.620 17614 589 1 . 1 1 153 153 THR N N 165 115.262 115.262 114.911 0.351 17614 590 1 . 1 1 153 153 THR C C 165 175.676 175.676 176.576 -0.900 17614 591 1 . 1 1 153 153 THR CA C 165 66.516 66.516 66.328 0.188 17614 592 1 . 1 1 153 153 THR CB C 165 69.367 69.367 68.638 0.729 17614 593 1 . 1 1 153 153 THR H H 165 7.745 7.745 7.973 -0.228 17614 594 1 . 1 1 154 154 ILE N N 166 121.571 121.571 119.102 2.469 17614 595 1 . 1 1 154 154 ILE C C 166 177.307 177.307 177.137 0.170 17614 596 1 . 1 1 154 154 ILE CA C 166 64.634 64.634 63.687 0.947 17614 597 1 . 1 1 154 154 ILE CB C 166 38.896 38.896 36.714 2.182 17614 598 1 . 1 1 154 154 ILE H H 166 7.540 7.540 7.403 0.137 17614 599 1 . 1 1 155 155 ALA N N 167 121.983 121.983 123.150 -1.167 17614 600 1 . 1 1 155 155 ALA C C 167 178.395 178.395 179.974 -1.579 17614 601 1 . 1 1 155 155 ALA CA C 167 54.656 54.656 54.714 -0.058 17614 602 1 . 1 1 155 155 ALA CB C 167 18.486 18.486 18.064 0.422 17614 603 1 . 1 1 155 155 ALA H H 167 8.059 8.059 7.709 0.350 17614 604 1 . 1 1 156 156 ARG N N 168 116.369 116.369 118.877 -2.508 17614 605 1 . 1 1 156 156 ARG C C 168 177.307 177.307 178.409 -1.102 17614 606 1 . 1 1 156 156 ARG CA C 168 58.486 58.486 58.783 -0.297 17614 607 1 . 1 1 156 156 ARG CB C 168 30.930 30.930 30.028 0.902 17614 608 1 . 1 1 156 156 ARG H H 168 7.690 7.690 7.752 -0.062 17614 609 1 . 1 1 157 157 GLU N N 169 118.667 118.667 117.763 0.904 17614 610 1 . 1 1 157 157 GLU C C 169 177.696 177.696 178.323 -0.627 17614 611 1 . 1 1 157 157 GLU CA C 169 58.212 58.212 58.378 -0.165 17614 612 1 . 1 1 157 157 GLU CB C 169 30.357 30.357 29.975 0.382 17614 613 1 . 1 1 157 157 GLU H H 169 8.045 8.045 7.712 0.333 17614 614 1 . 1 1 158 158 GLU N N 170 118.202 118.202 117.607 0.595 17614 615 1 . 1 1 158 158 GLU C C 170 177.878 177.878 177.046 0.832 17614 616 1 . 1 1 158 158 GLU CA C 170 57.363 57.363 56.808 0.555 17614 617 1 . 1 1 158 158 GLU CB C 170 31.277 31.277 30.939 0.338 17614 618 1 . 1 1 158 158 GLU H H 170 8.550 8.550 8.333 0.217 17614 619 1 . 1 1 159 159 GLY N N 171 108.941 108.941 107.479 1.462 17614 620 1 . 1 1 159 159 GLY C C 171 174.433 174.433 174.862 -0.429 17614 621 1 . 1 1 159 159 GLY CA C 171 45.193 45.193 44.551 0.642 17614 622 1 . 1 1 159 159 GLY H H 171 7.881 7.881 7.636 0.245 17614 623 1 . 1 1 160 160 ILE N N 172 120.842 120.842 118.665 2.177 17614 624 1 . 1 1 160 160 ILE C C 172 176.997 176.997 177.271 -0.274 17614 625 1 . 1 1 160 160 ILE CA C 172 63.810 63.810 63.490 0.320 17614 626 1 . 1 1 160 160 ILE CB C 172 38.516 38.516 37.756 0.760 17614 627 1 . 1 1 160 160 ILE H H 172 8.550 8.550 8.299 0.251 17614 628 1 . 1 1 161 161 ARG N N 173 119.480 119.480 120.653 -1.173 17614 629 1 . 1 1 161 161 ARG C C 173 178.084 178.084 178.563 -0.479 17614 630 1 . 1 1 161 161 ARG CA C 173 58.711 58.711 58.917 -0.206 17614 631 1 . 1 1 161 161 ARG CB C 173 29.796 29.796 29.349 0.447 17614 632 1 . 1 1 161 161 ARG H H 173 8.277 8.277 8.429 -0.152 17614 633 1 . 1 1 162 162 GLY N N 174 106.379 106.379 106.797 -0.418 17614 634 1 . 1 1 162 162 GLY C C 174 175.210 175.210 176.150 -0.940 17614 635 1 . 1 1 162 162 GLY CA C 174 46.767 46.767 46.632 0.135 17614 636 1 . 1 1 162 162 GLY H H 174 7.690 7.690 8.031 -0.341 17614 637 1 . 1 1 163 163 LEU N N 175 120.664 120.664 121.633 -0.969 17614 638 1 . 1 1 163 163 LEU C C 175 177.971 177.971 178.609 -0.638 17614 639 1 . 1 1 163 163 LEU CA C 175 57.104 57.104 57.044 0.060 17614 640 1 . 1 1 163 163 LEU CB C 175 42.559 42.559 42.073 0.486 17614 641 1 . 1 1 163 163 LEU H H 175 7.554 7.554 7.265 0.289 17614 642 1 . 1 1 164 164 TRP N N 176 117.031 117.031 117.941 -0.910 17614 643 1 . 1 1 164 164 TRP C C 176 176.987 176.987 177.772 -0.785 17614 644 1 . 1 1 164 164 TRP CA C 176 57.672 57.672 57.843 -0.171 17614 645 1 . 1 1 164 164 TRP CB C 176 29.796 29.796 28.493 1.303 17614 646 1 . 1 1 164 164 TRP H H 176 7.499 7.499 8.036 -0.537 17614 647 1 . 1 1 165 165 LYS N N 177 120.567 120.567 119.719 0.848 17614 648 1 . 1 1 165 165 LYS C C 177 177.152 177.152 177.920 -0.768 17614 649 1 . 1 1 165 165 LYS CA C 177 57.712 57.712 59.706 -1.994 17614 650 1 . 1 1 165 165 LYS CB C 177 32.890 32.890 32.045 0.845 17614 651 1 . 1 1 165 165 LYS H H 177 7.595 7.595 7.450 0.145 17614 652 1 . 1 1 166 166 GLY N N 178 108.667 108.667 103.792 4.875 17614 653 1 . 1 1 166 166 GLY C C 178 174.045 174.045 175.587 -1.542 17614 654 1 . 1 1 166 166 GLY CA C 178 45.893 45.893 45.618 0.275 17614 655 1 . 1 1 166 166 GLY H H 178 7.881 7.881 8.044 -0.163 17614 656 1 . 1 1 167 167 THR N N 179 115.080 115.080 118.051 -2.971 17614 657 1 . 1 1 167 167 THR C C 179 175.192 175.192 176.446 -1.254 17614 658 1 . 1 1 167 167 THR CA C 179 66.521 66.521 66.653 -0.132 17614 659 1 . 1 1 167 167 THR CB C 179 70.079 70.079 68.287 1.792 17614 660 1 . 1 1 167 167 THR H H 179 7.622 7.622 7.780 -0.158 17614 661 1 . 1 1 168 168 SER N N 180 117.754 117.754 116.252 1.502 17614 662 1 . 1 1 168 168 SER CA C 180 63.123 63.123 63.178 -0.055 17614 663 1 . 1 1 168 168 SER CB C 180 62.045 62.045 61.776 0.269 17614 664 1 . 1 1 168 168 SER H H 180 8.195 8.195 7.772 0.423 17614 665 1 . 1 1 170 170 ASN C C 182 177.348 177.348 177.662 -0.314 17614 666 1 . 1 1 171 171 VAL N N 183 118.118 118.118 120.268 -2.150 17614 667 1 . 1 1 171 171 VAL C C 183 176.944 176.944 177.445 -0.501 17614 668 1 . 1 1 171 171 VAL CA C 183 65.244 65.244 66.244 -1.001 17614 669 1 . 1 1 171 171 VAL CB C 183 32.508 32.508 31.494 1.014 17614 670 1 . 1 1 171 171 VAL H H 183 7.861 7.861 7.597 0.264 17614 671 1 . 1 1 172 172 ALA N N 184 122.284 122.284 121.717 0.567 17614 672 1 . 1 1 172 172 ALA C C 184 178.317 178.317 179.247 -0.930 17614 673 1 . 1 1 172 172 ALA CA C 184 55.339 55.339 55.240 0.099 17614 674 1 . 1 1 172 172 ALA CB C 184 28.230 28.230 18.157 10.073 17614 675 1 . 1 1 172 172 ALA H H 184 8.097 8.097 7.562 0.535 17614 676 1 . 1 1 173 173 ARG N N 185 117.321 117.321 119.138 -1.817 17614 677 1 . 1 1 173 173 ARG C C 185 177.527 177.527 178.301 -0.774 17614 678 1 . 1 1 173 173 ARG CA C 185 59.543 59.543 59.527 0.016 17614 679 1 . 1 1 173 173 ARG CB C 185 29.767 29.767 30.026 -0.259 17614 680 1 . 1 1 173 173 ARG H H 185 7.611 7.611 8.050 -0.439 17614 681 1 . 1 1 174 174 ASN N N 186 117.294 117.294 117.739 -0.445 17614 682 1 . 1 1 174 174 ASN C C 186 176.599 176.599 177.319 -0.720 17614 683 1 . 1 1 174 174 ASN CA C 186 56.659 56.659 56.248 0.412 17614 684 1 . 1 1 174 174 ASN CB C 186 39.454 39.454 38.283 1.171 17614 685 1 . 1 1 174 174 ASN H H 186 8.048 8.048 7.810 0.238 17614 686 1 . 1 1 175 175 ALA N N 187 121.003 121.003 122.979 -1.976 17614 687 1 . 1 1 175 175 ALA C C 187 178.713 178.713 179.674 -0.961 17614 688 1 . 1 1 175 175 ALA CA C 187 55.520 55.520 54.961 0.559 17614 689 1 . 1 1 175 175 ALA CB C 187 18.097 18.097 18.648 -0.551 17614 690 1 . 1 1 175 175 ALA H H 187 7.322 7.322 7.602 -0.280 17614 691 1 . 1 1 176 176 ILE N N 188 119.319 119.319 119.326 -0.007 17614 692 1 . 1 1 176 176 ILE C C 188 176.634 176.634 177.900 -1.266 17614 693 1 . 1 1 176 176 ILE CA C 188 64.225 64.225 64.426 -0.201 17614 694 1 . 1 1 176 176 ILE CB C 188 37.658 37.658 37.526 0.132 17614 695 1 . 1 1 176 176 ILE H H 188 7.779 7.779 8.118 -0.339 17614 696 1 . 1 1 177 177 VAL N N 189 117.265 117.265 119.002 -1.737 17614 697 1 . 1 1 177 177 VAL C C 189 177.529 177.529 177.657 -0.128 17614 698 1 . 1 1 177 177 VAL CA C 189 65.562 65.562 66.966 -1.404 17614 699 1 . 1 1 177 177 VAL CB C 189 31.407 31.407 31.091 0.316 17614 700 1 . 1 1 177 177 VAL H H 189 7.776 7.776 8.011 -0.235 17614 701 1 . 1 1 178 178 ASN N N 190 118.736 118.736 119.023 -0.287 17614 702 1 . 1 1 178 178 ASN C C 190 176.476 176.476 177.431 -0.955 17614 703 1 . 1 1 178 178 ASN CA C 190 56.813 56.813 56.419 0.394 17614 704 1 . 1 1 178 178 ASN CB C 190 38.268 38.268 38.194 0.074 17614 705 1 . 1 1 178 178 ASN H H 190 7.800 7.800 7.784 0.016 17614 706 1 . 1 1 179 179 CYS N N 191 120.152 120.152 119.309 0.843 17614 707 1 . 1 1 179 179 CYS C C 191 175.831 175.831 176.622 -0.791 17614 708 1 . 1 1 179 179 CYS CA C 191 60.293 60.293 63.243 -2.950 17614 709 1 . 1 1 179 179 CYS CB C 191 41.566 41.566 27.027 14.539 17614 710 1 . 1 1 179 179 CYS H H 191 7.784 7.784 8.039 -0.255 17614 711 1 . 1 1 180 180 ALA N N 192 121.963 121.963 122.287 -0.324 17614 712 1 . 1 1 180 180 ALA C C 192 178.395 178.395 179.299 -0.904 17614 713 1 . 1 1 180 180 ALA CA C 192 55.280 55.280 55.192 0.088 17614 714 1 . 1 1 180 180 ALA CB C 192 18.008 18.008 18.092 -0.084 17614 715 1 . 1 1 180 180 ALA H H 192 8.141 8.141 8.691 -0.550 17614 716 1 . 1 1 181 181 GLU N N 193 114.548 114.548 119.804 -5.256 17614 717 1 . 1 1 181 181 GLU C C 193 176.764 176.764 178.865 -2.101 17614 718 1 . 1 1 181 181 GLU CA C 193 58.262 58.262 59.220 -0.957 17614 719 1 . 1 1 181 181 GLU CB C 193 29.342 29.342 29.463 -0.122 17614 720 1 . 1 1 181 181 GLU H H 193 7.595 7.595 8.378 -0.783 17614 721 1 . 1 1 182 182 LEU N N 194 117.659 117.659 119.838 -2.179 17614 722 1 . 1 1 182 182 LEU C C 194 176.904 176.904 178.828 -1.924 17614 723 1 . 1 1 182 182 LEU CA C 194 55.695 55.695 58.030 -2.335 17614 724 1 . 1 1 182 182 LEU CB C 194 41.655 41.655 41.644 0.011 17614 725 1 . 1 1 182 182 LEU H H 194 7.459 7.459 8.019 -0.560 17614 726 1 . 1 1 183 183 VAL N N 195 117.842 117.842 117.460 0.382 17614 727 1 . 1 1 183 183 VAL C C 195 177.150 177.150 177.986 -0.836 17614 728 1 . 1 1 183 183 VAL CA C 195 64.054 64.054 66.222 -2.168 17614 729 1 . 1 1 183 183 VAL CB C 195 31.079 31.079 31.343 -0.264 17614 730 1 . 1 1 183 183 VAL H H 195 7.363 7.363 7.408 -0.045 17614 731 1 . 1 1 184 184 THR N N 196 122.439 122.439 116.267 6.172 17614 732 1 . 1 1 184 184 THR C C 196 175.055 175.055 176.565 -1.510 17614 733 1 . 1 1 184 184 THR CA C 196 65.500 65.500 66.475 -0.975 17614 734 1 . 1 1 184 184 THR CB C 196 69.490 69.490 68.802 0.688 17614 735 1 . 1 1 184 184 THR H H 196 7.940 7.940 7.761 0.179 17614 736 1 . 1 1 185 185 TYR N N 197 122.430 122.430 122.349 0.081 17614 737 1 . 1 1 185 185 TYR C C 197 177.152 177.152 177.104 0.048 17614 738 1 . 1 1 185 185 TYR CA C 197 61.892 61.892 61.829 0.063 17614 739 1 . 1 1 185 185 TYR CB C 197 38.085 38.085 38.454 -0.369 17614 740 1 . 1 1 185 185 TYR H H 197 9.123 9.123 8.756 0.367 17614 741 1 . 1 1 186 186 ASP N N 198 117.750 117.750 119.005 -1.255 17614 742 1 . 1 1 186 186 ASP C C 198 177.696 177.696 178.362 -0.666 17614 743 1 . 1 1 186 186 ASP CA C 198 57.822 57.822 57.571 0.251 17614 744 1 . 1 1 186 186 ASP CB C 198 40.500 40.500 40.466 0.034 17614 745 1 . 1 1 186 186 ASP H H 198 8.263 8.263 7.895 0.368 17614 746 1 . 1 1 187 187 LEU N N 199 120.698 120.698 118.588 2.110 17614 747 1 . 1 1 187 187 LEU C C 199 180.104 180.104 179.006 1.098 17614 748 1 . 1 1 187 187 LEU CA C 199 58.092 58.092 57.500 0.592 17614 749 1 . 1 1 187 187 LEU CB C 199 42.559 42.559 41.518 1.041 17614 750 1 . 1 1 187 187 LEU H H 199 7.636 7.636 7.398 0.238 17614 751 1 . 1 1 188 188 ILE N N 200 121.136 121.136 118.162 2.974 17614 752 1 . 1 1 188 188 ILE C C 200 176.919 176.919 177.788 -0.869 17614 753 1 . 1 1 188 188 ILE CA C 200 65.482 65.482 64.021 1.461 17614 754 1 . 1 1 188 188 ILE CB C 200 37.949 37.949 37.086 0.863 17614 755 1 . 1 1 188 188 ILE H H 200 7.718 7.718 7.298 0.420 17614 756 1 . 1 1 189 189 LYS N N 201 120.587 120.587 118.635 1.952 17614 757 1 . 1 1 189 189 LYS C C 201 177.696 177.696 178.576 -0.880 17614 758 1 . 1 1 189 189 LYS CA C 201 60.683 60.683 59.080 1.603 17614 759 1 . 1 1 189 189 LYS CB C 201 31.809 31.809 32.220 -0.411 17614 760 1 . 1 1 189 189 LYS H H 201 8.291 8.291 7.615 0.676 17614 761 1 . 1 1 190 190 ASP N N 202 117.936 117.936 116.739 1.197 17614 762 1 . 1 1 190 190 ASP C C 202 178.395 178.395 176.771 1.624 17614 763 1 . 1 1 190 190 ASP CA C 202 57.672 57.672 56.133 1.539 17614 764 1 . 1 1 190 190 ASP CB C 202 41.355 41.355 41.107 0.248 17614 765 1 . 1 1 190 190 ASP H H 202 8.182 8.182 7.786 0.396 17614 766 1 . 1 1 191 191 THR N N 203 115.914 115.914 114.520 1.394 17614 767 1 . 1 1 191 191 THR CA C 203 61.190 61.190 62.063 -0.873 17614 768 1 . 1 1 191 191 THR CB C 203 68.738 68.738 69.598 -0.860 17614 769 1 . 1 1 191 191 THR H H 203 7.690 7.690 7.581 0.109 17614 770 1 . 1 1 192 192 LEU C C 204 176.047 176.047 175.496 0.551 17614 771 1 . 1 1 192 192 LEU H H 204 8.051 8.051 8.819 -0.768 17614 772 1 . 1 1 193 193 LEU N N 205 118.768 118.768 117.660 1.108 17614 773 1 . 1 1 193 193 LEU C C 205 179.871 179.871 176.563 3.308 17614 774 1 . 1 1 193 193 LEU CA C 205 55.867 55.867 54.232 1.635 17614 775 1 . 1 1 193 193 LEU CB C 205 41.887 41.887 41.703 0.184 17614 776 1 . 1 1 193 193 LEU H H 205 7.977 7.977 7.764 0.213 17614 777 1 . 1 1 194 194 LYS N N 206 119.775 119.775 119.953 -0.178 17614 778 1 . 1 1 194 194 LYS C C 206 177.318 177.318 176.668 0.650 17614 779 1 . 1 1 194 194 LYS CA C 206 58.461 58.461 57.405 1.056 17614 780 1 . 1 1 194 194 LYS CB C 206 32.734 32.734 32.468 0.266 17614 781 1 . 1 1 194 194 LYS H H 206 7.677 7.677 8.164 -0.487 17614 782 1 . 1 1 195 195 ALA N N 207 120.757 120.757 120.566 0.191 17614 783 1 . 1 1 195 195 ALA C C 207 176.531 176.531 176.299 0.232 17614 784 1 . 1 1 195 195 ALA CA C 207 53.083 53.083 52.346 0.737 17614 785 1 . 1 1 195 195 ALA CB C 207 18.960 18.960 18.751 0.208 17614 786 1 . 1 1 195 195 ALA H H 207 7.565 7.565 7.932 -0.367 17614 787 1 . 1 1 196 196 ASN N N 208 115.463 115.463 115.378 0.085 17614 788 1 . 1 1 196 196 ASN C C 208 174.822 174.822 174.387 0.435 17614 789 1 . 1 1 196 196 ASN CA C 208 54.351 54.351 53.424 0.928 17614 790 1 . 1 1 196 196 ASN CB C 208 38.160 38.160 37.662 0.498 17614 791 1 . 1 1 196 196 ASN H H 208 7.936 7.936 8.101 -0.165 17614 792 1 . 1 1 200 200 ASP C C 212 174.735 174.735 175.227 -0.492 17614 793 1 . 1 1 201 201 ASP N N 213 116.363 116.363 120.937 -4.574 17614 794 1 . 1 1 201 201 ASP C C 213 175.553 175.553 176.817 -1.264 17614 795 1 . 1 1 201 201 ASP CA C 213 54.890 54.890 54.266 0.624 17614 796 1 . 1 1 201 201 ASP CB C 213 38.846 38.846 39.800 -0.954 17614 797 1 . 1 1 201 201 ASP H H 213 8.129 8.129 8.392 -0.263 17614 798 1 . 1 1 202 202 LEU N N 214 119.486 119.486 121.241 -1.755 17614 799 1 . 1 1 202 202 LEU CA C 214 59.766 59.766 59.015 0.751 17614 800 1 . 1 1 202 202 LEU CB C 214 39.579 39.579 39.998 -0.419 17614 801 1 . 1 1 202 202 LEU H H 214 7.821 7.821 8.264 -0.443 17614 802 1 . 1 1 203 203 PRO C C 215 177.971 177.971 178.824 -0.853 17614 803 1 . 1 1 203 203 PRO CA C 215 65.938 65.938 65.822 0.116 17614 804 1 . 1 1 203 203 PRO CB C 215 30.006 30.006 30.942 -0.936 17614 805 1 . 1 1 204 204 CYS N N 216 114.211 114.211 115.399 -1.188 17614 806 1 . 1 1 204 204 CYS C C 216 176.142 176.142 176.906 -0.764 17614 807 1 . 1 1 204 204 CYS CA C 216 58.773 58.773 62.720 -3.947 17614 808 1 . 1 1 204 204 CYS CB C 216 40.906 40.906 27.137 13.769 17614 809 1 . 1 1 204 204 CYS H H 216 8.269 8.269 8.093 0.176 17614 810 1 . 1 1 205 205 HIS N N 217 120.491 120.491 120.418 0.073 17614 811 1 . 1 1 205 205 HIS C C 217 176.747 176.747 177.143 -0.396 17614 812 1 . 1 1 205 205 HIS CA C 217 57.198 57.198 59.050 -1.852 17614 813 1 . 1 1 205 205 HIS CB C 217 29.886 29.886 29.435 0.451 17614 814 1 . 1 1 205 205 HIS H H 217 7.301 7.301 7.577 -0.276 17614 815 1 . 1 1 206 206 PHE N N 218 120.501 120.501 118.616 1.885 17614 816 1 . 1 1 206 206 PHE C C 218 176.187 176.187 177.691 -1.504 17614 817 1 . 1 1 206 206 PHE CA C 218 59.045 59.045 61.806 -2.761 17614 818 1 . 1 1 206 206 PHE CB C 218 38.901 38.901 38.576 0.325 17614 819 1 . 1 1 206 206 PHE H H 218 8.127 8.127 7.757 0.370 17614 820 1 . 1 1 207 207 THR N N 219 112.682 112.682 113.764 -1.082 17614 821 1 . 1 1 207 207 THR C C 219 175.997 175.997 176.868 -0.871 17614 822 1 . 1 1 207 207 THR CA C 219 64.319 64.319 66.584 -2.265 17614 823 1 . 1 1 207 207 THR CB C 219 63.282 63.282 68.417 -5.135 17614 824 1 . 1 1 207 207 THR H H 219 7.977 7.977 7.931 0.046 17614 825 1 . 1 1 208 208 SER N N 220 117.589 117.589 117.634 -0.045 17614 826 1 . 1 1 208 208 SER C C 220 175.055 175.055 176.476 -1.421 17614 827 1 . 1 1 208 208 SER CA C 220 61.344 61.344 61.574 -0.230 17614 828 1 . 1 1 208 208 SER CB C 220 63.440 63.440 62.832 0.607 17614 829 1 . 1 1 208 208 SER H H 220 8.004 8.004 7.728 0.276 17614 830 1 . 1 1 209 209 ALA N N 221 123.860 123.860 124.419 -0.559 17614 831 1 . 1 1 209 209 ALA C C 221 177.618 177.618 179.273 -1.655 17614 832 1 . 1 1 209 209 ALA CA C 221 53.932 53.932 54.884 -0.952 17614 833 1 . 1 1 209 209 ALA CB C 221 18.891 18.891 18.249 0.642 17614 834 1 . 1 1 209 209 ALA H H 221 7.704 7.704 7.608 0.096 17614 835 1 . 1 1 210 210 PHE N N 222 116.073 116.073 119.918 -3.845 17614 836 1 . 1 1 210 210 PHE C C 222 176.142 176.142 177.617 -1.475 17614 837 1 . 1 1 210 210 PHE CA C 222 58.271 58.271 61.333 -3.062 17614 838 1 . 1 1 210 210 PHE CB C 222 39.554 39.554 39.077 0.477 17614 839 1 . 1 1 210 210 PHE H H 222 7.718 7.718 8.204 -0.486 17614 840 1 . 1 1 211 211 GLY N N 223 108.578 108.578 106.336 2.242 17614 841 1 . 1 1 211 211 GLY C C 223 173.889 173.889 175.538 -1.649 17614 842 1 . 1 1 211 211 GLY CA C 223 45.993 45.993 47.065 -1.072 17614 843 1 . 1 1 211 211 GLY H H 223 7.909 7.909 8.117 -0.208 17614 844 1 . 1 1 212 212 ALA N N 224 123.322 123.322 124.666 -1.344 17614 845 1 . 1 1 212 212 ALA C C 224 178.550 178.550 179.723 -1.173 17614 846 1 . 1 1 212 212 ALA CA C 224 53.608 53.608 54.653 -1.045 17614 847 1 . 1 1 212 212 ALA CB C 224 19.069 19.069 18.339 0.730 17614 848 1 . 1 1 212 212 ALA H H 224 8.018 8.018 7.917 0.101 17614 849 1 . 1 1 213 213 GLY N N 225 107.935 107.935 107.575 0.360 17614 850 1 . 1 1 213 213 GLY C C 225 175.389 175.389 175.698 -0.309 17614 851 1 . 1 1 213 213 GLY CA C 225 46.967 46.967 46.853 0.114 17614 852 1 . 1 1 213 213 GLY H H 225 8.304 8.304 8.624 -0.320 17614 853 1 . 1 1 214 214 PHE N N 226 122.440 122.440 122.591 -0.151 17614 854 1 . 1 1 214 214 PHE C C 226 176.998 176.998 177.256 -0.258 17614 855 1 . 1 1 214 214 PHE CA C 226 60.673 60.673 60.595 0.078 17614 856 1 . 1 1 214 214 PHE CB C 226 38.319 38.319 39.249 -0.930 17614 857 1 . 1 1 214 214 PHE H H 226 8.045 8.045 7.934 0.111 17614 858 1 . 1 1 215 215 CYS N N 227 116.562 116.562 117.583 -1.021 17614 859 1 . 1 1 215 215 CYS CA C 227 61.301 61.301 62.478 -1.177 17614 860 1 . 1 1 215 215 CYS CB C 227 41.286 41.286 27.203 14.083 17614 861 1 . 1 1 215 215 CYS H H 227 8.016 8.016 7.825 0.191 17614 862 1 . 1 1 216 216 THR C C 228 176.437 176.437 176.411 0.026 17614 863 1 . 1 1 216 216 THR H H 228 8.410 8.410 8.418 -0.008 17614 864 1 . 1 1 217 217 THR N N 229 115.234 115.234 117.219 -1.985 17614 865 1 . 1 1 217 217 THR C C 229 176.749 176.749 176.296 0.453 17614 866 1 . 1 1 217 217 THR CA C 229 65.980 65.980 66.452 -0.472 17614 867 1 . 1 1 217 217 THR CB C 229 67.443 67.443 68.115 -0.672 17614 868 1 . 1 1 217 217 THR H H 229 8.188 8.188 8.032 0.156 17614 869 1 . 1 1 218 218 VAL N N 230 120.723 120.723 120.867 -0.144 17614 870 1 . 1 1 218 218 VAL C C 230 177.983 177.983 177.405 0.578 17614 871 1 . 1 1 218 218 VAL CA C 230 66.832 66.832 65.656 1.176 17614 872 1 . 1 1 218 218 VAL CB C 230 31.168 31.168 31.275 -0.107 17614 873 1 . 1 1 218 218 VAL H H 230 8.027 8.027 7.292 0.735 17614 874 1 . 1 1 219 219 ILE N N 231 120.541 120.541 118.547 1.994 17614 875 1 . 1 1 219 219 ILE C C 231 177.368 177.368 177.433 -0.065 17614 876 1 . 1 1 219 219 ILE CA C 231 65.575 65.575 63.489 2.086 17614 877 1 . 1 1 219 219 ILE CB C 231 37.722 37.722 37.480 0.242 17614 878 1 . 1 1 219 219 ILE H H 231 8.458 8.458 7.225 1.233 17614 879 1 . 1 1 220 220 ALA N N 232 122.766 122.766 121.622 1.144 17614 880 1 . 1 1 220 220 ALA C C 232 178.847 178.847 179.580 -0.733 17614 881 1 . 1 1 220 220 ALA CA C 232 55.252 55.252 54.932 0.320 17614 882 1 . 1 1 220 220 ALA CB C 232 17.874 17.874 18.308 -0.434 17614 883 1 . 1 1 220 220 ALA H H 232 8.589 8.589 8.007 0.582 17614 884 1 . 1 1 221 221 SER N N 233 113.387 113.387 114.456 -1.069 17614 885 1 . 1 1 221 221 SER CA C 233 62.348 62.348 62.803 -0.455 17614 886 1 . 1 1 221 221 SER CB C 233 61.630 61.630 61.431 0.199 17614 887 1 . 1 1 221 221 SER H H 233 8.218 8.218 8.245 -0.027 17614 888 1 . 1 1 222 222 PRO C C 234 178.221 178.221 178.525 -0.304 17614 889 1 . 1 1 223 223 VAL N N 235 116.087 116.087 116.257 -0.170 17614 890 1 . 1 1 223 223 VAL C C 235 177.089 177.089 177.538 -0.449 17614 891 1 . 1 1 223 223 VAL CA C 235 65.072 65.072 65.862 -0.790 17614 892 1 . 1 1 223 223 VAL CB C 235 31.084 31.084 31.305 -0.221 17614 893 1 . 1 1 223 223 VAL H H 235 8.142 8.142 7.407 0.735 17614 894 1 . 1 1 224 224 ASP N N 236 121.556 121.556 120.161 1.395 17614 895 1 . 1 1 224 224 ASP C C 236 177.422 177.422 178.473 -1.051 17614 896 1 . 1 1 224 224 ASP CA C 236 57.135 57.135 57.089 0.046 17614 897 1 . 1 1 224 224 ASP CB C 236 40.065 40.065 40.463 -0.398 17614 898 1 . 1 1 224 224 ASP H H 236 7.932 7.932 7.453 0.479 17614 899 1 . 1 1 225 225 VAL N N 237 117.233 117.233 119.471 -2.238 17614 900 1 . 1 1 225 225 VAL CA C 237 64.977 64.977 65.932 -0.955 17614 901 1 . 1 1 225 225 VAL CB C 237 31.013 31.013 31.544 -0.531 17614 902 1 . 1 1 225 225 VAL H H 237 7.710 7.710 7.831 -0.121 17614 903 1 . 1 1 226 226 VAL C C 238 177.584 177.584 177.471 0.113 17614 904 1 . 1 1 226 226 VAL H H 238 7.607 7.607 7.526 0.081 17614 905 1 . 1 1 227 227 LYS N N 239 120.095 120.095 118.659 1.436 17614 906 1 . 1 1 227 227 LYS C C 239 178.678 178.678 178.575 0.103 17614 907 1 . 1 1 227 227 LYS CA C 239 58.483 58.483 58.886 -0.403 17614 908 1 . 1 1 227 227 LYS CB C 239 31.863 31.863 32.108 -0.245 17614 909 1 . 1 1 227 227 LYS H H 239 7.761 7.761 7.496 0.265 17614 910 1 . 1 1 228 228 THR N N 240 115.247 115.247 113.358 1.889 17614 911 1 . 1 1 228 228 THR C C 240 175.093 175.093 175.552 -0.459 17614 912 1 . 1 1 228 228 THR CA C 240 66.458 66.458 64.392 2.066 17614 913 1 . 1 1 228 228 THR CB C 240 68.011 68.011 69.138 -1.127 17614 914 1 . 1 1 228 228 THR H H 240 7.761 7.761 7.586 0.175 17614 915 1 . 1 1 229 229 ARG N N 241 119.633 119.633 121.340 -1.707 17614 916 1 . 1 1 229 229 ARG CA C 241 57.133 57.133 58.020 -0.887 17614 917 1 . 1 1 229 229 ARG CB C 241 31.218 31.218 30.254 0.964 17614 918 1 . 1 1 229 229 ARG H H 241 7.383 7.383 7.579 -0.196 17614 919 1 . 1 1 230 230 TYR C C 242 174.956 174.956 174.683 0.273 17614 920 1 . 1 1 230 230 TYR H H 242 8.699 8.699 8.234 0.465 17614 921 1 . 1 1 231 231 MET N N 243 118.458 118.458 121.459 -3.001 17614 922 1 . 1 1 231 231 MET C C 243 175.676 175.676 175.120 0.556 17614 923 1 . 1 1 231 231 MET CA C 243 54.417 54.417 55.988 -1.571 17614 924 1 . 1 1 231 231 MET H H 243 7.442 7.442 8.144 -0.702 17614 925 1 . 1 1 232 232 ASN N N 244 116.369 116.369 119.191 -2.822 17614 926 1 . 1 1 232 232 ASN C C 244 174.919 174.919 174.518 0.401 17614 927 1 . 1 1 232 232 ASN CA C 244 59.470 59.470 53.230 6.240 17614 928 1 . 1 1 232 232 ASN CB C 244 39.079 39.079 39.118 -0.039 17614 929 1 . 1 1 232 232 ASN H H 244 7.772 7.772 8.242 -0.470 17614 930 1 . 1 1 233 233 SER N N 245 114.568 114.568 116.123 -1.555 17614 931 1 . 1 1 233 233 SER C C 245 175.695 175.695 173.385 2.310 17614 932 1 . 1 1 233 233 SER CA C 245 53.852 53.852 58.787 -4.935 17614 933 1 . 1 1 233 233 SER CB C 245 61.232 61.232 63.133 -1.901 17614 934 1 . 1 1 233 233 SER H H 245 8.475 8.475 8.278 0.197 17614 935 1 . 1 1 234 234 ALA N N 246 127.283 127.283 123.212 4.071 17614 936 1 . 1 1 234 234 ALA C C 246 177.128 177.128 176.418 0.710 17614 937 1 . 1 1 234 234 ALA CA C 246 56.803 56.803 52.293 4.509 17614 938 1 . 1 1 234 234 ALA CB C 246 18.901 18.901 19.224 -0.323 17614 939 1 . 1 1 234 234 ALA H H 246 7.929 7.929 8.228 -0.299 17614 940 1 . 1 1 235 235 LEU N N 247 118.112 118.112 120.334 -2.222 17614 941 1 . 1 1 235 235 LEU C C 247 176.723 176.723 177.239 -0.516 17614 942 1 . 1 1 235 235 LEU CA C 247 54.156 54.156 55.125 -0.969 17614 943 1 . 1 1 235 235 LEU CB C 247 41.215 41.215 41.851 -0.636 17614 944 1 . 1 1 235 235 LEU H H 247 7.922 7.922 8.241 -0.319 17614 945 1 . 1 1 236 236 GLY N N 248 107.203 107.203 108.177 -0.974 17614 946 1 . 1 1 236 236 GLY CA C 248 44.558 44.558 44.875 -0.317 17614 947 1 . 1 1 236 236 GLY H H 248 8.318 8.318 8.163 0.155 17614 948 1 . 1 1 238 238 TYR C C 250 175.942 175.942 175.285 0.657 17614 949 1 . 1 1 238 238 TYR H H 250 8.134 8.134 8.317 -0.183 17614 950 1 . 1 1 239 239 HIS N N 251 123.281 123.281 119.985 3.296 17614 951 1 . 1 1 239 239 HIS C C 251 174.531 174.531 174.916 -0.385 17614 952 1 . 1 1 239 239 HIS CA C 251 58.931 58.931 57.960 0.971 17614 953 1 . 1 1 239 239 HIS CB C 251 29.525 29.525 30.477 -0.952 17614 954 1 . 1 1 239 239 HIS H H 251 8.184 8.184 8.493 -0.309 17614 955 1 . 1 1 240 240 SER N N 252 110.038 110.038 110.734 -0.696 17614 956 1 . 1 1 240 240 SER C C 252 174.429 174.429 174.083 0.346 17614 957 1 . 1 1 240 240 SER CA C 252 57.452 57.452 57.292 0.160 17614 958 1 . 1 1 240 240 SER CB C 252 65.022 65.022 65.171 -0.149 17614 959 1 . 1 1 240 240 SER H H 252 8.010 8.010 7.777 0.233 17614 960 1 . 1 1 241 241 ALA N N 253 123.034 123.034 124.039 -1.005 17614 961 1 . 1 1 241 241 ALA C C 253 179.249 179.249 179.781 -0.532 17614 962 1 . 1 1 241 241 ALA CA C 253 54.981 54.981 54.754 0.227 17614 963 1 . 1 1 241 241 ALA CB C 253 19.069 19.069 18.669 0.400 17614 964 1 . 1 1 241 241 ALA H H 253 8.034 8.034 8.692 -0.658 17614 965 1 . 1 1 242 242 GLY N N 254 106.379 106.379 106.203 0.176 17614 966 1 . 1 1 242 242 GLY C C 254 174.433 174.433 175.614 -1.181 17614 967 1 . 1 1 242 242 GLY CA C 254 47.615 47.615 46.951 0.664 17614 968 1 . 1 1 242 242 GLY H H 254 8.427 8.427 8.589 -0.162 17614 969 1 . 1 1 243 243 HIS N N 255 121.119 121.119 121.606 -0.487 17614 970 1 . 1 1 243 243 HIS C C 255 178.084 178.084 177.037 1.047 17614 971 1 . 1 1 243 243 HIS CA C 255 60.144 60.144 59.245 0.899 17614 972 1 . 1 1 243 243 HIS CB C 255 33.073 33.073 29.881 3.192 17614 973 1 . 1 1 243 243 HIS H H 255 8.304 8.304 7.992 0.312 17614 974 1 . 1 1 244 244 CYS N N 256 117.946 117.946 118.295 -0.349 17614 975 1 . 1 1 244 244 CYS C C 256 175.453 175.453 176.598 -1.145 17614 976 1 . 1 1 244 244 CYS CA C 256 58.668 58.668 62.625 -3.957 17614 977 1 . 1 1 244 244 CYS CB C 256 41.434 41.434 26.652 14.782 17614 978 1 . 1 1 244 244 CYS H H 256 8.168 8.168 7.921 0.247 17614 979 1 . 1 1 245 245 ALA N N 257 123.138 123.138 122.921 0.217 17614 980 1 . 1 1 245 245 ALA C C 257 179.489 179.489 179.601 -0.112 17614 981 1 . 1 1 245 245 ALA CA C 257 54.589 54.589 55.141 -0.552 17614 982 1 . 1 1 245 245 ALA CB C 257 17.675 17.675 18.174 -0.499 17614 983 1 . 1 1 245 245 ALA H H 257 7.932 7.932 7.469 0.463 17614 984 1 . 1 1 246 246 LEU N N 258 119.779 119.779 118.425 1.354 17614 985 1 . 1 1 246 246 LEU C C 258 178.234 178.234 179.099 -0.865 17614 986 1 . 1 1 246 246 LEU CA C 258 56.967 56.967 57.807 -0.840 17614 987 1 . 1 1 246 246 LEU CB C 258 41.067 41.067 41.252 -0.185 17614 988 1 . 1 1 246 246 LEU H H 258 7.681 7.681 7.806 -0.125 17614 989 1 . 1 1 247 247 THR N N 259 114.552 114.552 114.967 -0.415 17614 990 1 . 1 1 247 247 THR C C 259 176.244 176.244 176.722 -0.478 17614 991 1 . 1 1 247 247 THR CA C 259 66.511 66.511 66.454 0.057 17614 992 1 . 1 1 247 247 THR CB C 259 67.274 67.274 68.558 -1.284 17614 993 1 . 1 1 247 247 THR H H 259 7.855 7.855 8.064 -0.209 17614 994 1 . 1 1 248 248 MET N N 260 118.862 118.862 120.952 -2.090 17614 995 1 . 1 1 248 248 MET C C 260 177.094 177.094 177.660 -0.566 17614 996 1 . 1 1 248 248 MET CA C 260 58.532 58.532 58.649 -0.117 17614 997 1 . 1 1 248 248 MET CB C 260 32.288 32.288 32.160 0.128 17614 998 1 . 1 1 248 248 MET H H 260 8.296 8.296 8.336 -0.040 17614 999 1 . 1 1 249 249 LEU N N 261 116.839 116.839 119.007 -2.168 17614 1000 1 . 1 1 249 249 LEU C C 261 178.162 178.162 178.994 -0.832 17614 1001 1 . 1 1 249 249 LEU CA C 261 58.167 58.167 57.569 0.598 17614 1002 1 . 1 1 249 249 LEU CB C 261 42.202 42.202 41.879 0.323 17614 1003 1 . 1 1 249 249 LEU H H 261 8.053 8.053 7.681 0.372 17614 1004 1 . 1 1 250 250 ARG N N 262 116.821 116.821 117.853 -1.032 17614 1005 1 . 1 1 250 250 ARG CA C 262 58.761 58.761 58.365 0.396 17614 1006 1 . 1 1 250 250 ARG CB C 262 30.825 30.825 30.562 0.263 17614 1007 1 . 1 1 250 250 ARG H H 262 7.827 7.827 7.654 0.173 17614 1008 1 . 1 1 254 254 PRO C C 266 177.152 177.152 178.180 -1.028 17614 1009 1 . 1 1 254 254 PRO CA C 266 65.152 65.152 64.242 0.910 17614 1010 1 . 1 1 255 255 ARG N N 267 117.739 117.739 118.589 -0.850 17614 1011 1 . 1 1 255 255 ARG C C 267 177.463 177.463 177.749 -0.286 17614 1012 1 . 1 1 255 255 ARG CA C 267 59.335 59.335 58.668 0.667 17614 1013 1 . 1 1 255 255 ARG CB C 267 30.185 30.185 29.301 0.884 17614 1014 1 . 1 1 255 255 ARG H H 267 8.072 8.072 8.148 -0.076 17614 1015 1 . 1 1 256 256 ALA N N 268 121.709 121.709 121.649 0.060 17614 1016 1 . 1 1 256 256 ALA C C 268 179.251 179.251 178.823 0.428 17614 1017 1 . 1 1 256 256 ALA CA C 268 54.631 54.631 54.659 -0.028 17614 1018 1 . 1 1 256 256 ALA CB C 268 18.683 18.683 18.255 0.428 17614 1019 1 . 1 1 256 256 ALA H H 268 7.963 7.963 7.776 0.187 17614 1020 1 . 1 1 257 257 PHE N N 269 117.096 117.096 117.259 -0.163 17614 1021 1 . 1 1 257 257 PHE C C 269 175.987 175.987 177.402 -1.415 17614 1022 1 . 1 1 257 257 PHE CA C 269 61.037 61.037 61.058 -0.021 17614 1023 1 . 1 1 257 257 PHE CB C 269 38.637 38.637 38.922 -0.285 17614 1024 1 . 1 1 257 257 PHE H H 269 7.832 7.832 7.692 0.140 17614 1025 1 . 1 1 258 258 TYR N N 270 118.496 118.496 118.820 -0.324 17614 1026 1 . 1 1 258 258 TYR C C 270 176.250 176.250 176.280 -0.030 17614 1027 1 . 1 1 258 258 TYR CA C 270 60.116 60.116 60.020 0.096 17614 1028 1 . 1 1 258 258 TYR CB C 270 38.882 38.882 38.851 0.031 17614 1029 1 . 1 1 258 258 TYR H H 270 7.813 7.813 7.635 0.178 17614 1030 1 . 1 1 259 259 LYS N N 271 119.458 119.458 119.282 0.176 17614 1031 1 . 1 1 259 259 LYS C C 271 177.696 177.696 176.215 1.481 17614 1032 1 . 1 1 259 259 LYS CA C 271 57.192 57.192 56.273 0.919 17614 1033 1 . 1 1 259 259 LYS CB C 271 32.734 32.734 33.267 -0.533 17614 1034 1 . 1 1 259 259 LYS H H 271 7.864 7.864 7.889 -0.025 17614 1035 1 . 1 1 260 260 GLY N N 272 106.217 106.217 107.618 -1.401 17614 1036 1 . 1 1 260 260 GLY C C 272 173.967 173.967 173.329 0.638 17614 1037 1 . 1 1 260 260 GLY CA C 272 46.117 46.117 45.576 0.541 17614 1038 1 . 1 1 260 260 GLY H H 272 7.622 7.622 8.321 -0.699 17614 1039 1 . 1 1 261 261 PHE N N 273 118.847 118.847 117.229 1.618 17614 1040 1 . 1 1 261 261 PHE C C 273 175.055 175.055 174.953 0.102 17614 1041 1 . 1 1 261 261 PHE CA C 273 57.721 57.721 57.143 0.578 17614 1042 1 . 1 1 261 261 PHE CB C 273 40.183 40.183 38.885 1.298 17614 1043 1 . 1 1 261 261 PHE H H 273 7.677 7.677 7.511 0.166 17614 1044 1 . 1 1 265 265 PHE C C 277 176.602 176.602 177.009 -0.407 17614 1045 1 . 1 1 265 265 PHE CA C 277 61.838 61.838 61.514 0.324 17614 1046 1 . 1 1 265 265 PHE CB C 277 39.537 39.537 39.200 0.337 17614 1047 1 . 1 1 265 265 PHE H H 277 7.695 7.695 8.199 -0.504 17614 1048 1 . 1 1 266 266 LEU N N 278 118.465 118.465 119.581 -1.116 17614 1049 1 . 1 1 266 266 LEU C C 278 177.152 177.152 178.815 -1.663 17614 1050 1 . 1 1 266 266 LEU CA C 278 56.115 56.115 58.172 -2.057 17614 1051 1 . 1 1 266 266 LEU CB C 278 42.398 42.398 41.511 0.887 17614 1052 1 . 1 1 266 266 LEU H H 278 8.104 8.104 7.920 0.184 17614 1053 1 . 1 1 267 267 ARG N N 279 118.749 118.749 119.079 -0.330 17614 1054 1 . 1 1 267 267 ARG C C 279 176.608 176.608 178.927 -2.319 17614 1055 1 . 1 1 267 267 ARG CA C 279 56.938 56.938 59.105 -2.167 17614 1056 1 . 1 1 267 267 ARG CB C 279 30.659 30.659 29.851 0.808 17614 1057 1 . 1 1 267 267 ARG H H 279 7.472 7.472 7.934 -0.462 17614 1058 1 . 1 1 268 268 LEU N N 280 120.305 120.305 119.730 0.575 17614 1059 1 . 1 1 268 268 LEU C C 280 177.540 177.540 178.789 -1.249 17614 1060 1 . 1 1 268 268 LEU CA C 280 57.094 57.094 57.995 -0.901 17614 1061 1 . 1 1 268 268 LEU CB C 280 42.027 42.027 41.091 0.936 17614 1062 1 . 1 1 268 268 LEU H H 280 7.690 7.690 8.259 -0.569 17614 1063 1 . 1 1 269 269 GLY N N 281 106.837 106.837 106.641 0.196 17614 1064 1 . 1 1 269 269 GLY C C 281 174.045 174.045 176.014 -1.969 17614 1065 1 . 1 1 269 269 GLY CA C 281 46.967 46.967 47.217 -0.250 17614 1066 1 . 1 1 269 269 GLY H H 281 7.881 7.881 7.758 0.123 17614 1067 1 . 1 1 270 270 SER N N 282 115.531 115.531 118.319 -2.788 17614 1068 1 . 1 1 270 270 SER C C 282 174.123 174.123 176.369 -2.246 17614 1069 1 . 1 1 270 270 SER CA C 282 58.796 58.796 61.543 -2.747 17614 1070 1 . 1 1 270 270 SER CB C 282 58.975 58.975 63.084 -4.109 17614 1071 1 . 1 1 270 270 SER H H 282 7.813 7.813 7.561 0.252 17614 1072 1 . 1 1 271 271 TRP N N 283 122.851 122.851 123.438 -0.587 17614 1073 1 . 1 1 271 271 TRP C C 283 176.142 176.142 177.558 -1.416 17614 1074 1 . 1 1 271 271 TRP CA C 283 59.221 59.221 61.168 -1.947 17614 1075 1 . 1 1 271 271 TRP CB C 283 30.446 30.446 29.546 0.900 17614 1076 1 . 1 1 271 271 TRP H H 283 8.186 8.186 8.548 -0.362 17614 1077 1 . 1 1 272 272 ASN N N 284 118.459 118.459 117.635 0.824 17614 1078 1 . 1 1 272 272 ASN CA C 284 55.325 55.325 56.182 -0.857 17614 1079 1 . 1 1 272 272 ASN CB C 284 39.504 39.504 38.221 1.283 17614 1080 1 . 1 1 272 272 ASN H H 284 8.127 8.127 7.996 0.131 17614 1081 1 . 1 1 273 273 VAL C C 285 177.263 177.263 177.491 -0.228 17614 1082 1 . 1 1 273 273 VAL H H 285 7.854 7.854 7.463 0.391 17614 1083 1 . 1 1 274 274 VAL N N 286 119.883 119.883 117.645 2.238 17614 1084 1 . 1 1 274 274 VAL C C 286 177.072 177.072 177.501 -0.429 17614 1085 1 . 1 1 274 274 VAL CA C 286 64.717 64.717 65.914 -1.197 17614 1086 1 . 1 1 274 274 VAL CB C 286 29.553 29.553 31.108 -1.555 17614 1087 1 . 1 1 274 274 VAL H H 286 7.483 7.483 7.194 0.289 17614 1088 1 . 1 1 275 275 MET N N 287 120.401 120.401 118.708 1.693 17614 1089 1 . 1 1 275 275 MET C C 287 177.594 177.594 178.171 -0.577 17614 1090 1 . 1 1 275 275 MET CA C 287 57.654 57.654 58.088 -0.434 17614 1091 1 . 1 1 275 275 MET CB C 287 31.592 31.592 31.819 -0.227 17614 1092 1 . 1 1 275 275 MET H H 287 8.118 8.118 7.130 0.988 17614 1093 1 . 1 1 276 276 PHE N N 288 122.234 122.234 120.262 1.972 17614 1094 1 . 1 1 276 276 PHE C C 288 176.498 176.498 177.493 -0.995 17614 1095 1 . 1 1 276 276 PHE CA C 288 61.766 61.766 62.003 -0.237 17614 1096 1 . 1 1 276 276 PHE CB C 288 39.031 39.031 39.086 -0.055 17614 1097 1 . 1 1 276 276 PHE H H 288 7.878 7.878 7.723 0.155 17614 1098 1 . 1 1 277 277 VAL N N 289 118.907 118.907 117.344 1.563 17614 1099 1 . 1 1 277 277 VAL CA C 289 64.566 64.566 66.651 -2.085 17614 1100 1 . 1 1 277 277 VAL CB C 289 30.544 30.544 31.252 -0.708 17614 1101 1 . 1 1 277 277 VAL H H 289 7.913 7.913 7.711 0.202 17614 1102 1 . 1 1 278 278 THR C C 290 175.376 175.376 176.483 -1.107 17614 1103 1 . 1 1 278 278 THR H H 290 8.095 8.095 7.485 0.610 17614 1104 1 . 1 1 279 279 TYR N N 291 118.029 118.029 121.534 -3.505 17614 1105 1 . 1 1 279 279 TYR C C 291 176.919 176.919 177.483 -0.564 17614 1106 1 . 1 1 279 279 TYR CA C 291 61.717 61.717 61.633 0.084 17614 1107 1 . 1 1 279 279 TYR CB C 291 38.020 38.020 37.902 0.118 17614 1108 1 . 1 1 279 279 TYR H H 291 7.986 7.986 7.589 0.397 17614 1109 1 . 1 1 280 280 GLU N N 292 118.005 118.005 119.036 -1.031 17614 1110 1 . 1 1 280 280 GLU C C 292 176.686 176.686 178.865 -2.179 17614 1111 1 . 1 1 280 280 GLU CA C 292 60.084 60.084 59.696 0.388 17614 1112 1 . 1 1 280 280 GLU CB C 292 29.443 29.443 28.939 0.505 17614 1113 1 . 1 1 280 280 GLU H H 292 8.359 8.359 8.071 0.288 17614 1114 1 . 1 1 281 281 GLN N N 293 118.746 118.746 118.570 0.176 17614 1115 1 . 1 1 281 281 GLN C C 293 176.210 176.210 178.242 -2.032 17614 1116 1 . 1 1 281 281 GLN CA C 293 58.986 58.986 58.402 0.584 17614 1117 1 . 1 1 281 281 GLN CB C 293 28.784 28.784 28.502 0.282 17614 1118 1 . 1 1 281 281 GLN H H 293 7.704 7.704 7.485 0.219 17614 1119 1 . 1 1 282 282 LEU N N 294 120.970 120.970 118.606 2.364 17614 1120 1 . 1 1 282 282 LEU C C 294 178.084 178.084 178.330 -0.246 17614 1121 1 . 1 1 282 282 LEU CA C 294 58.741 58.741 57.024 1.717 17614 1122 1 . 1 1 282 282 LEU CB C 294 41.451 41.451 41.611 -0.160 17614 1123 1 . 1 1 282 282 LEU H H 294 7.995 7.995 7.443 0.552 17614 1124 1 . 1 1 283 283 LYS N N 295 117.756 117.756 117.120 0.636 17614 1125 1 . 1 1 283 283 LYS CA C 295 59.048 59.048 58.219 0.829 17614 1126 1 . 1 1 283 283 LYS CB C 295 31.871 31.871 33.028 -1.157 17614 1127 1 . 1 1 283 283 LYS H H 295 7.731 7.731 7.829 -0.098 17614 1128 1 . 1 1 284 284 ARG H H 296 7.895 7.895 7.912 -0.017 17614 1129 1 . 1 1 285 285 ALA C C 297 176.488 176.488 176.668 -0.180 17614 1130 1 . 1 1 285 285 ALA H H 297 8.223 8.223 8.354 -0.131 17614 1131 1 . 1 1 286 286 LEU N N 298 117.376 117.376 119.935 -2.559 17614 1132 1 . 1 1 286 286 LEU C C 298 178.628 178.628 176.707 1.921 17614 1133 1 . 1 1 286 286 LEU CA C 298 58.217 58.217 55.266 2.951 17614 1134 1 . 1 1 286 286 LEU CB C 298 41.905 41.905 42.498 -0.593 17614 1135 1 . 1 1 286 286 LEU H H 298 7.947 7.947 8.145 -0.198 17614 1136 1 . 1 1 287 287 MET N N 299 127.376 127.376 123.089 4.287 17614 1137 1 . 1 1 287 287 MET C C 299 178.472 178.472 174.882 3.590 17614 1138 1 . 1 1 287 287 MET CA C 299 58.461 58.461 55.390 3.071 17614 1139 1 . 1 1 287 287 MET CB C 299 32.110 32.110 31.911 0.200 17614 1140 1 . 1 1 287 287 MET H H 299 8.182 8.182 8.511 -0.329 17614 1141 1 . 1 1 288 288 ALA N N 300 121.854 121.854 123.552 -1.698 17614 1142 1 . 1 1 288 288 ALA C C 300 180.197 180.197 176.119 4.078 17614 1143 1 . 1 1 288 288 ALA CA C 300 55.617 55.617 52.376 3.241 17614 1144 1 . 1 1 288 288 ALA CB C 300 18.215 18.215 20.018 -1.803 17614 1145 1 . 1 1 288 288 ALA H H 300 7.841 7.841 7.885 -0.044 17614 1146 1 . 1 1 289 289 ALA N N 301 121.224 121.224 128.185 -6.961 17614 1147 1 . 1 1 289 289 ALA C C 301 178.939 178.939 178.277 0.662 17614 1148 1 . 1 1 289 289 ALA CA C 301 55.186 55.186 54.420 0.766 17614 1149 1 . 1 1 289 289 ALA CB C 301 18.735 18.735 19.001 -0.266 17614 1150 1 . 1 1 289 289 ALA H H 301 7.872 7.872 8.720 -0.848 17614 1151 1 . 1 1 290 290 TYR N N 302 118.183 118.183 119.767 -1.584 17614 1152 1 . 1 1 290 290 TYR C C 302 176.841 176.841 177.691 -0.850 17614 1153 1 . 1 1 290 290 TYR CA C 302 60.868 60.868 61.523 -0.655 17614 1154 1 . 1 1 290 290 TYR CB C 302 39.344 39.344 38.020 1.324 17614 1155 1 . 1 1 290 290 TYR H H 302 8.100 8.100 8.503 -0.403 17614 1156 1 . 1 1 291 291 GLN N N 303 117.243 117.243 118.127 -0.884 17614 1157 1 . 1 1 291 291 GLN C C 303 176.997 176.997 178.522 -1.525 17614 1158 1 . 1 1 291 291 GLN CA C 303 58.787 58.787 59.117 -0.330 17614 1159 1 . 1 1 291 291 GLN CB C 303 29.216 29.216 28.119 1.097 17614 1160 1 . 1 1 291 291 GLN H H 303 8.059 8.059 8.610 -0.551 17614 1161 1 . 1 1 292 292 SER N N 304 114.721 114.721 114.873 -0.152 17614 1162 1 . 1 1 292 292 SER C C 304 174.511 174.511 176.067 -1.556 17614 1163 1 . 1 1 292 292 SER CA C 304 59.720 59.720 61.190 -1.470 17614 1164 1 . 1 1 292 292 SER CB C 304 63.896 63.896 63.090 0.806 17614 1165 1 . 1 1 292 292 SER H H 304 7.718 7.718 7.818 -0.100 17614 1166 1 . 1 1 293 293 ARG N N 305 121.401 121.401 120.202 1.199 17614 1167 1 . 1 1 293 293 ARG C C 305 175.521 175.521 177.884 -2.363 17614 1168 1 . 1 1 293 293 ARG CA C 305 59.639 59.639 58.417 1.222 17614 1169 1 . 1 1 293 293 ARG CB C 305 30.568 30.568 30.368 0.200 17614 1170 1 . 1 1 293 293 ARG H H 305 7.609 7.609 8.106 -0.497 17614 1171 1 . 1 1 294 294 GLU N N 306 120.090 120.090 117.491 2.599 17614 1172 1 . 1 1 294 294 GLU C C 306 177.648 177.648 178.921 -1.273 17614 1173 1 . 1 1 294 294 GLU CA C 306 59.624 59.624 58.600 1.024 17614 1174 1 . 1 1 294 294 GLU CB C 306 30.362 30.362 29.377 0.985 17614 1175 1 . 1 1 294 294 GLU H H 306 7.909 7.909 7.679 0.230 17614 1176 1 . 1 1 295 295 ALA N N 307 121.234 121.234 124.432 -3.198 17614 1177 1 . 1 1 295 295 ALA C C 307 176.014 176.014 177.099 -1.085 17614 1178 1 . 1 1 295 295 ALA CA C 307 56.844 56.844 55.343 1.501 17614 1179 1 . 1 1 295 295 ALA CB C 307 17.735 17.735 16.890 0.845 17614 1180 1 . 1 1 295 295 ALA H H 307 7.760 7.760 7.730 0.030 17614 stop_ save_