data_19635 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19635 _Entry.PDB_ID 2MHJ 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 19635 _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 8 8 HIS HA H 8 4.637 4.637 4.486 0.151 19635 2 1 1 . 1 1 8 8 HIS C C 8 174.897 174.897 173.700 1.197 19635 3 1 1 . 1 1 8 8 HIS CA C 8 56.534 56.534 56.787 -0.253 19635 4 1 1 . 1 1 8 8 HIS CB C 8 31.030 31.030 31.346 -0.316 19635 5 1 1 . 1 1 9 9 VAL N N 9 121.834 121.834 115.454 6.380 19635 6 1 1 . 1 1 9 9 VAL HA H 9 4.111 4.111 4.395 -0.284 19635 7 1 1 . 1 1 9 9 VAL C C 9 175.486 175.486 173.452 2.034 19635 8 1 1 . 1 1 9 9 VAL CA C 9 62.115 62.115 59.980 2.135 19635 9 1 1 . 1 1 9 9 VAL CB C 9 33.036 33.036 34.452 -1.416 19635 10 1 1 . 1 1 9 9 VAL H H 9 7.998 7.998 7.657 0.341 19635 11 1 1 . 1 1 10 10 ASP HA H 10 4.583 4.583 5.113 -0.530 19635 12 1 1 . 1 1 10 10 ASP CA C 10 54.510 54.510 53.072 1.438 19635 13 1 1 . 1 1 10 10 ASP CB C 10 41.545 41.545 43.409 -1.864 19635 14 1 1 . 1 1 11 11 ASP HA H 11 4.583 4.583 4.454 0.129 19635 15 1 1 . 1 1 11 11 ASP C C 11 176.012 176.012 175.145 0.867 19635 16 1 1 . 1 1 11 11 ASP CA C 11 54.692 54.692 55.016 -0.323 19635 17 1 1 . 1 1 11 11 ASP CB C 11 41.545 41.545 40.801 0.744 19635 18 1 1 . 1 1 12 12 ASP N N 12 120.751 120.751 123.564 -2.813 19635 19 1 1 . 1 1 12 12 ASP HA H 12 4.581 4.581 4.854 -0.273 19635 20 1 1 . 1 1 12 12 ASP C C 12 176.385 176.385 175.915 0.470 19635 21 1 1 . 1 1 12 12 ASP CA C 12 54.695 54.695 52.508 2.188 19635 22 1 1 . 1 1 12 12 ASP CB C 12 41.363 41.363 44.418 -3.055 19635 23 1 1 . 1 1 12 12 ASP H H 12 8.249 8.249 7.896 0.353 19635 24 1 1 . 1 1 13 13 ASP N N 13 120.536 120.536 119.328 1.208 19635 25 1 1 . 1 1 13 13 ASP HA H 13 4.576 4.576 4.269 0.307 19635 26 1 1 . 1 1 13 13 ASP C C 13 176.818 176.818 175.171 1.647 19635 27 1 1 . 1 1 13 13 ASP CA C 13 54.877 54.877 56.767 -1.890 19635 28 1 1 . 1 1 13 13 ASP CB C 13 41.318 41.318 40.539 0.779 19635 29 1 1 . 1 1 13 13 ASP H H 13 8.291 8.291 8.521 -0.230 19635 30 1 1 . 1 1 14 14 LYS N N 14 120.496 120.496 123.180 -2.684 19635 31 1 1 . 1 1 14 14 LYS HA H 14 4.303 4.303 4.573 -0.270 19635 32 1 1 . 1 1 14 14 LYS C C 14 177.190 177.190 175.411 1.779 19635 33 1 1 . 1 1 14 14 LYS CA C 14 56.788 56.788 54.854 1.934 19635 34 1 1 . 1 1 14 14 LYS CB C 14 32.399 32.399 32.113 0.286 19635 35 1 1 . 1 1 14 14 LYS H H 14 8.181 8.181 8.109 0.072 19635 36 1 1 . 1 1 15 15 MET N N 15 119.518 119.518 123.302 -3.784 19635 37 1 1 . 1 1 15 15 MET HA H 15 4.546 4.546 4.391 0.155 19635 38 1 1 . 1 1 15 15 MET C C 15 176.881 176.881 177.618 -0.737 19635 39 1 1 . 1 1 15 15 MET CA C 15 55.696 55.696 56.714 -1.018 19635 40 1 1 . 1 1 15 15 MET CB C 15 32.490 32.490 33.044 -0.554 19635 41 1 1 . 1 1 15 15 MET H H 15 8.276 8.276 8.528 -0.252 19635 42 1 1 . 1 1 16 16 GLY N N 16 109.506 109.506 109.780 -0.274 19635 43 1 1 . 1 1 16 16 GLY C C 16 174.432 174.432 174.195 0.237 19635 44 1 1 . 1 1 16 16 GLY CA C 16 45.498 45.498 44.756 0.742 19635 45 1 1 . 1 1 16 16 GLY H H 16 8.373 8.373 8.873 -0.500 19635 46 1 1 . 1 1 17 17 GLY N N 17 108.711 108.711 108.688 0.023 19635 47 1 1 . 1 1 17 17 GLY C C 17 171.409 171.409 171.714 -0.305 19635 48 1 1 . 1 1 17 17 GLY CA C 17 44.685 44.685 43.229 1.456 19635 49 1 1 . 1 1 17 17 GLY H H 17 8.116 8.116 7.541 0.575 19635 50 1 1 . 1 1 18 18 PRO HA H 18 4.744 4.744 4.696 0.048 19635 51 1 1 . 1 1 18 18 PRO C C 18 176.462 176.462 175.856 0.606 19635 52 1 1 . 1 1 18 18 PRO CA C 18 62.795 62.795 63.079 -0.284 19635 53 1 1 . 1 1 18 18 PRO CB C 18 35.220 35.220 32.315 2.905 19635 54 1 1 . 1 1 19 19 THR N N 19 111.524 111.524 113.383 -1.859 19635 55 1 1 . 1 1 19 19 THR HA H 19 4.744 4.744 4.697 0.047 19635 56 1 1 . 1 1 19 19 THR C C 19 173.827 173.827 173.219 0.608 19635 57 1 1 . 1 1 19 19 THR CA C 19 59.988 59.988 60.239 -0.251 19635 58 1 1 . 1 1 19 19 THR CB C 19 71.622 71.622 72.276 -0.654 19635 59 1 1 . 1 1 19 19 THR H H 19 8.229 8.229 8.111 0.118 19635 60 1 1 . 1 1 20 20 VAL N N 20 119.259 119.259 122.895 -3.636 19635 61 1 1 . 1 1 20 20 VAL HA H 20 4.378 4.378 4.338 0.040 19635 62 1 1 . 1 1 20 20 VAL C C 20 173.718 173.718 174.359 -0.641 19635 63 1 1 . 1 1 20 20 VAL CA C 20 59.714 59.714 60.636 -0.922 19635 64 1 1 . 1 1 20 20 VAL CB C 20 35.482 35.482 33.998 1.484 19635 65 1 1 . 1 1 20 20 VAL H H 20 8.740 8.740 9.040 -0.300 19635 66 1 1 . 1 1 21 21 LEU N N 21 127.557 127.557 130.029 -2.472 19635 67 1 1 . 1 1 21 21 LEU HA H 21 4.427 4.427 4.552 -0.125 19635 68 1 1 . 1 1 21 21 LEU C C 21 175.362 175.362 176.078 -0.716 19635 69 1 1 . 1 1 21 21 LEU CA C 21 54.604 54.604 54.690 -0.086 19635 70 1 1 . 1 1 21 21 LEU CB C 21 40.720 40.720 41.871 -1.151 19635 71 1 1 . 1 1 21 21 LEU H H 21 8.229 8.229 8.659 -0.430 19635 72 1 1 . 1 1 22 22 VAL N N 22 128.501 128.501 128.069 0.432 19635 73 1 1 . 1 1 22 22 VAL HA H 22 3.648 3.648 3.897 -0.249 19635 74 1 1 . 1 1 22 22 VAL C C 22 175.346 175.346 175.877 -0.531 19635 75 1 1 . 1 1 22 22 VAL CA C 22 63.146 63.146 62.958 0.188 19635 76 1 1 . 1 1 22 22 VAL CB C 22 32.151 32.151 30.288 1.863 19635 77 1 1 . 1 1 22 22 VAL H H 22 8.132 8.132 8.420 -0.288 19635 78 1 1 . 1 1 23 23 LYS N N 23 127.302 127.302 129.968 -2.666 19635 79 1 1 . 1 1 23 23 LYS HA H 23 4.420 4.420 4.423 -0.003 19635 80 1 1 . 1 1 23 23 LYS C C 23 176.385 176.385 176.133 0.252 19635 81 1 1 . 1 1 23 23 LYS CA C 23 56.975 56.975 57.473 -0.498 19635 82 1 1 . 1 1 23 23 LYS CB C 23 34.150 34.150 33.829 0.321 19635 83 1 1 . 1 1 23 23 LYS H H 23 9.694 9.694 9.007 0.687 19635 84 1 1 . 1 1 24 24 ARG N N 24 114.443 114.443 116.372 -1.929 19635 85 1 1 . 1 1 24 24 ARG HA H 24 4.468 4.468 4.600 -0.132 19635 86 1 1 . 1 1 24 24 ARG C C 24 172.401 172.401 173.829 -1.428 19635 87 1 1 . 1 1 24 24 ARG CA C 24 54.596 54.596 55.445 -0.849 19635 88 1 1 . 1 1 24 24 ARG CB C 24 32.125 32.125 32.583 -0.458 19635 89 1 1 . 1 1 24 24 ARG H H 24 7.735 7.735 7.780 -0.045 19635 90 1 1 . 1 1 25 25 PHE N N 25 117.669 117.669 118.677 -1.008 19635 91 1 1 . 1 1 25 25 PHE HA H 25 5.561 5.561 5.378 0.183 19635 92 1 1 . 1 1 25 25 PHE C C 25 174.618 174.618 175.444 -0.826 19635 93 1 1 . 1 1 25 25 PHE CA C 25 56.333 56.333 56.806 -0.473 19635 94 1 1 . 1 1 25 25 PHE CB C 25 42.319 42.319 41.305 1.014 19635 95 1 1 . 1 1 25 25 PHE H H 25 8.550 8.550 8.577 -0.027 19635 96 1 1 . 1 1 26 26 GLN N N 26 121.215 121.215 122.870 -1.655 19635 97 1 1 . 1 1 26 26 GLN HA H 26 4.576 4.576 5.026 -0.450 19635 98 1 1 . 1 1 26 26 GLN C C 26 173.904 173.904 174.492 -0.588 19635 99 1 1 . 1 1 26 26 GLN CA C 26 54.695 54.695 54.216 0.479 19635 100 1 1 . 1 1 26 26 GLN CB C 26 32.077 32.077 32.332 -0.255 19635 101 1 1 . 1 1 26 26 GLN H H 26 8.926 8.926 9.307 -0.381 19635 102 1 1 . 1 1 27 27 LEU N N 27 126.971 126.971 128.636 -1.665 19635 103 1 1 . 1 1 27 27 LEU HA H 27 5.285 5.285 5.112 0.173 19635 104 1 1 . 1 1 27 27 LEU C C 27 177.098 177.098 176.342 0.756 19635 105 1 1 . 1 1 27 27 LEU CA C 27 53.512 53.512 53.729 -0.217 19635 106 1 1 . 1 1 27 27 LEU CB C 27 44.048 44.048 42.807 1.241 19635 107 1 1 . 1 1 27 27 LEU H H 27 8.906 8.906 9.600 -0.694 19635 108 1 1 . 1 1 28 28 SER N N 28 114.562 114.562 117.747 -3.185 19635 109 1 1 . 1 1 28 28 SER HA H 28 4.866 4.866 4.710 0.156 19635 110 1 1 . 1 1 28 28 SER C C 28 173.811 173.811 174.552 -0.741 19635 111 1 1 . 1 1 28 28 SER CA C 28 57.249 57.249 56.903 0.346 19635 112 1 1 . 1 1 28 28 SER CB C 28 65.161 65.161 64.355 0.806 19635 113 1 1 . 1 1 28 28 SER H H 28 8.114 8.114 8.978 -0.864 19635 114 1 1 . 1 1 29 29 GLY N N 29 112.273 112.273 113.681 -1.408 19635 115 1 1 . 1 1 29 29 GLY C C 29 173.548 173.548 173.077 0.471 19635 116 1 1 . 1 1 29 29 GLY CA C 29 45.235 45.235 45.289 -0.054 19635 117 1 1 . 1 1 29 29 GLY H H 29 8.714 8.714 8.873 -0.159 19635 118 1 1 . 1 1 30 30 ASN N N 30 114.106 114.106 117.940 -3.834 19635 119 1 1 . 1 1 30 30 ASN HA H 30 4.536 4.536 4.759 -0.223 19635 120 1 1 . 1 1 30 30 ASN C C 30 174.804 174.804 175.016 -0.212 19635 121 1 1 . 1 1 30 30 ASN CA C 30 53.876 53.876 52.645 1.231 19635 122 1 1 . 1 1 30 30 ASN CB C 30 37.495 37.495 37.647 -0.152 19635 123 1 1 . 1 1 30 30 ASN H H 30 9.436 9.436 8.061 1.375 19635 124 1 1 . 1 1 31 31 ARG N N 31 124.382 124.382 123.463 0.919 19635 125 1 1 . 1 1 31 31 ARG HA H 31 4.408 4.408 4.519 -0.111 19635 126 1 1 . 1 1 31 31 ARG C C 31 177.656 177.656 176.921 0.735 19635 127 1 1 . 1 1 31 31 ARG CA C 31 57.066 57.066 56.536 0.530 19635 128 1 1 . 1 1 31 31 ARG CB C 31 32.689 32.689 31.014 1.675 19635 129 1 1 . 1 1 31 31 ARG H H 31 9.427 9.427 9.418 0.009 19635 130 1 1 . 1 1 32 32 GLN N N 32 122.307 122.307 118.080 4.227 19635 131 1 1 . 1 1 32 32 GLN HA H 32 3.804 3.804 4.032 -0.228 19635 132 1 1 . 1 1 32 32 GLN C C 32 175.005 175.005 175.694 -0.689 19635 133 1 1 . 1 1 32 32 GLN CA C 32 57.243 57.243 56.736 0.507 19635 134 1 1 . 1 1 32 32 GLN CB C 32 28.850 28.850 29.251 -0.401 19635 135 1 1 . 1 1 32 32 GLN H H 32 10.333 10.333 8.969 1.364 19635 136 1 1 . 1 1 33 33 PHE N N 33 110.633 110.633 117.688 -7.055 19635 137 1 1 . 1 1 33 33 PHE HA H 33 4.815 4.815 4.618 0.197 19635 138 1 1 . 1 1 33 33 PHE C C 33 174.215 174.215 174.405 -0.190 19635 139 1 1 . 1 1 33 33 PHE CA C 33 55.514 55.514 56.828 -1.314 19635 140 1 1 . 1 1 33 33 PHE CB C 33 43.006 43.006 41.813 1.193 19635 141 1 1 . 1 1 33 33 PHE H H 33 6.698 6.698 7.526 -0.828 19635 142 1 1 . 1 1 34 34 ASP N N 34 120.588 120.588 120.780 -0.192 19635 143 1 1 . 1 1 34 34 ASP HA H 34 4.547 4.547 4.644 -0.097 19635 144 1 1 . 1 1 34 34 ASP C C 34 175.253 175.253 176.952 -1.699 19635 145 1 1 . 1 1 34 34 ASP CA C 34 52.684 52.684 53.276 -0.592 19635 146 1 1 . 1 1 34 34 ASP CB C 34 42.276 42.276 42.450 -0.174 19635 147 1 1 . 1 1 34 34 ASP H H 34 8.477 8.477 8.496 -0.019 19635 148 1 1 . 1 1 35 35 ASP N N 35 118.353 118.353 119.931 -1.578 19635 149 1 1 . 1 1 35 35 ASP HA H 35 4.022 4.022 4.183 -0.161 19635 150 1 1 . 1 1 35 35 ASP C C 35 177.826 177.826 178.300 -0.474 19635 151 1 1 . 1 1 35 35 ASP CA C 35 57.607 57.607 59.365 -1.758 19635 152 1 1 . 1 1 35 35 ASP CB C 35 39.771 39.771 41.082 -1.311 19635 153 1 1 . 1 1 35 35 ASP H H 35 8.507 8.507 8.771 -0.264 19635 154 1 1 . 1 1 36 36 ARG N N 36 117.028 117.028 119.245 -2.217 19635 155 1 1 . 1 1 36 36 ARG HA H 36 3.873 3.873 3.914 -0.041 19635 156 1 1 . 1 1 36 36 ARG C C 36 179.206 179.206 178.378 0.828 19635 157 1 1 . 1 1 36 36 ARG CA C 36 59.610 59.610 59.187 0.423 19635 158 1 1 . 1 1 36 36 ARG CB C 36 29.422 29.422 30.024 -0.602 19635 159 1 1 . 1 1 36 36 ARG H H 36 8.111 8.111 8.264 -0.153 19635 160 1 1 . 1 1 37 37 ARG N N 37 119.265 119.265 118.338 0.927 19635 161 1 1 . 1 1 37 37 ARG HA H 37 4.020 4.020 4.044 -0.024 19635 162 1 1 . 1 1 37 37 ARG C C 37 177.950 177.950 178.334 -0.384 19635 163 1 1 . 1 1 37 37 ARG CA C 37 57.698 57.698 58.638 -0.940 19635 164 1 1 . 1 1 37 37 ARG CB C 37 30.124 30.124 29.738 0.386 19635 165 1 1 . 1 1 37 37 ARG H H 37 7.826 7.826 8.325 -0.499 19635 166 1 1 . 1 1 38 38 LEU N N 38 115.462 115.462 118.314 -2.852 19635 167 1 1 . 1 1 38 38 LEU HA H 38 3.819 3.819 3.920 -0.101 19635 168 1 1 . 1 1 38 38 LEU C C 38 179.067 179.067 179.194 -0.127 19635 169 1 1 . 1 1 38 38 LEU CA C 38 56.333 56.333 56.014 0.319 19635 170 1 1 . 1 1 38 38 LEU CB C 38 42.046 42.046 41.449 0.597 19635 171 1 1 . 1 1 38 38 LEU H H 38 7.365 7.365 7.573 -0.208 19635 172 1 1 . 1 1 39 39 LEU N N 39 117.922 117.922 121.779 -3.857 19635 173 1 1 . 1 1 39 39 LEU HA H 39 3.823 3.823 3.804 0.019 19635 174 1 1 . 1 1 39 39 LEU C C 39 181.051 181.051 178.915 2.136 19635 175 1 1 . 1 1 39 39 LEU CA C 39 57.607 57.607 57.483 0.124 19635 176 1 1 . 1 1 39 39 LEU CB C 39 41.089 41.089 40.713 0.376 19635 177 1 1 . 1 1 39 39 LEU H H 39 9.081 9.081 8.521 0.560 19635 178 1 1 . 1 1 40 40 ALA N N 40 121.136 121.136 120.933 0.203 19635 179 1 1 . 1 1 40 40 ALA HA H 40 4.077 4.077 4.050 0.027 19635 180 1 1 . 1 1 40 40 ALA C C 40 180.059 180.059 179.741 0.318 19635 181 1 1 . 1 1 40 40 ALA CA C 40 54.514 54.514 54.456 0.058 19635 182 1 1 . 1 1 40 40 ALA CB C 40 17.716 17.716 18.169 -0.453 19635 183 1 1 . 1 1 40 40 ALA H H 40 7.266 7.266 7.614 -0.348 19635 184 1 1 . 1 1 41 41 LEU N N 41 115.253 115.253 118.430 -3.177 19635 185 1 1 . 1 1 41 41 LEU HA H 41 4.128 4.128 4.053 0.075 19635 186 1 1 . 1 1 41 41 LEU C C 41 177.966 177.966 177.189 0.777 19635 187 1 1 . 1 1 41 41 LEU CA C 41 55.971 55.971 57.050 -1.079 19635 188 1 1 . 1 1 41 41 LEU CB C 41 42.093 42.093 42.116 -0.023 19635 189 1 1 . 1 1 41 41 LEU H H 41 7.215 7.215 7.433 -0.218 19635 190 1 1 . 1 1 42 42 LEU N N 42 116.365 116.365 115.775 0.590 19635 191 1 1 . 1 1 42 42 LEU HA H 42 4.298 4.298 4.474 -0.176 19635 192 1 1 . 1 1 42 42 LEU C C 42 177.842 177.842 177.327 0.515 19635 193 1 1 . 1 1 42 42 LEU CA C 42 53.232 53.232 51.726 1.506 19635 194 1 1 . 1 1 42 42 LEU CB C 42 41.955 41.955 38.519 3.436 19635 195 1 1 . 1 1 42 42 LEU H H 42 7.392 7.392 7.865 -0.473 19635 196 1 1 . 1 1 43 43 HIS N N 43 117.222 117.222 119.833 -2.611 19635 197 1 1 . 1 1 43 43 HIS HA H 43 4.279 4.279 4.218 0.061 19635 198 1 1 . 1 1 43 43 HIS C C 43 174.494 174.494 175.365 -0.871 19635 199 1 1 . 1 1 43 43 HIS CA C 43 59.428 59.428 58.944 0.485 19635 200 1 1 . 1 1 43 43 HIS CB C 43 31.216 31.216 29.381 1.835 19635 201 1 1 . 1 1 43 43 HIS H H 43 7.012 7.012 7.534 -0.522 19635 202 1 1 . 1 1 44 44 ASP N N 44 116.296 116.296 116.657 -0.361 19635 203 1 1 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.446 -0.108 19635 204 1 1 . 1 1 44 44 ASP C C 44 176.385 176.385 175.659 0.726 19635 205 1 1 . 1 1 44 44 ASP CA C 44 53.785 53.785 53.753 0.032 19635 206 1 1 . 1 1 44 44 ASP CB C 44 38.989 38.989 40.371 -1.382 19635 207 1 1 . 1 1 44 44 ASP H H 44 9.235 9.235 7.880 1.355 19635 208 1 1 . 1 1 45 45 LEU N N 45 119.937 119.937 121.048 -1.111 19635 209 1 1 . 1 1 45 45 LEU HA H 45 4.212 4.212 4.708 -0.496 19635 210 1 1 . 1 1 45 45 LEU C C 45 173.563 173.563 175.556 -1.993 19635 211 1 1 . 1 1 45 45 LEU CA C 45 57.881 57.881 56.084 1.797 19635 212 1 1 . 1 1 45 45 LEU CB C 45 41.955 41.955 40.605 1.350 19635 213 1 1 . 1 1 45 45 LEU H H 45 7.866 7.866 8.122 -0.256 19635 214 1 1 . 1 1 46 46 PRO HA H 46 3.992 3.992 4.346 -0.354 19635 215 1 1 . 1 1 46 46 PRO C C 46 177.160 177.160 177.794 -0.634 19635 216 1 1 . 1 1 46 46 PRO CA C 46 65.036 65.036 63.092 1.944 19635 217 1 1 . 1 1 46 46 PRO CB C 46 29.032 29.032 32.581 -3.549 19635 218 1 1 . 1 1 47 47 GLY N N 47 111.431 111.431 108.563 2.868 19635 219 1 1 . 1 1 47 47 GLY C C 47 173.827 173.827 173.398 0.429 19635 220 1 1 . 1 1 47 47 GLY CA C 47 44.685 44.685 45.392 -0.706 19635 221 1 1 . 1 1 47 47 GLY H H 47 9.411 9.411 8.912 0.499 19635 222 1 1 . 1 1 48 48 GLN N N 48 117.897 117.897 118.152 -0.255 19635 223 1 1 . 1 1 48 48 GLN HA H 48 4.507 4.507 4.622 -0.115 19635 224 1 1 . 1 1 48 48 GLN C C 48 174.525 174.525 173.846 0.679 19635 225 1 1 . 1 1 48 48 GLN CA C 48 54.695 54.695 53.625 1.070 19635 226 1 1 . 1 1 48 48 GLN CB C 48 31.034 31.034 32.509 -1.475 19635 227 1 1 . 1 1 48 48 GLN H H 48 7.871 7.871 7.529 0.342 19635 228 1 1 . 1 1 49 49 GLU N N 49 120.443 120.443 121.865 -1.422 19635 229 1 1 . 1 1 49 49 GLU HA H 49 4.815 4.815 4.689 0.126 19635 230 1 1 . 1 1 49 49 GLU C C 49 175.672 175.672 175.289 0.383 19635 231 1 1 . 1 1 49 49 GLU CA C 49 55.423 55.423 55.827 -0.404 19635 232 1 1 . 1 1 49 49 GLU CB C 49 30.224 30.224 29.936 0.288 19635 233 1 1 . 1 1 49 49 GLU H H 49 8.369 8.369 8.789 -0.420 19635 234 1 1 . 1 1 50 50 LEU N N 50 125.608 125.608 125.171 0.437 19635 235 1 1 . 1 1 50 50 LEU HA H 50 5.010 5.010 4.956 0.054 19635 236 1 1 . 1 1 50 50 LEU C C 50 176.338 176.338 177.301 -0.963 19635 237 1 1 . 1 1 50 50 LEU CA C 50 53.232 53.232 52.997 0.235 19635 238 1 1 . 1 1 50 50 LEU CB C 50 45.413 45.413 41.761 3.652 19635 239 1 1 . 1 1 50 50 LEU H H 50 8.663 8.663 7.851 0.812 19635 240 1 1 . 1 1 51 51 ASN N N 51 118.769 118.769 121.691 -2.922 19635 241 1 1 . 1 1 51 51 ASN HA H 51 5.183 5.183 5.042 0.141 19635 242 1 1 . 1 1 51 51 ASN C C 51 176.013 176.013 176.729 -0.716 19635 243 1 1 . 1 1 51 51 ASN CA C 51 50.600 50.600 51.857 -1.257 19635 244 1 1 . 1 1 51 51 ASN CB C 51 39.407 39.407 39.771 -0.364 19635 245 1 1 . 1 1 51 51 ASN H H 51 8.897 8.897 8.302 0.595 19635 246 1 1 . 1 1 52 52 LEU N N 52 118.818 118.818 120.335 -1.517 19635 247 1 1 . 1 1 52 52 LEU HA H 52 4.041 4.041 4.114 -0.073 19635 248 1 1 . 1 1 52 52 LEU C C 52 179.036 179.036 178.991 0.045 19635 249 1 1 . 1 1 52 52 LEU CA C 52 58.609 58.609 58.323 0.286 19635 250 1 1 . 1 1 52 52 LEU CB C 52 41.773 41.773 40.394 1.379 19635 251 1 1 . 1 1 52 52 LEU H H 52 8.585 8.585 8.316 0.269 19635 252 1 1 . 1 1 53 53 SER N N 53 115.007 115.007 113.531 1.476 19635 253 1 1 . 1 1 53 53 SER HA H 53 4.358 4.358 4.127 0.231 19635 254 1 1 . 1 1 53 53 SER C C 53 178.307 178.307 177.201 1.106 19635 255 1 1 . 1 1 53 53 SER CA C 53 62.270 62.270 62.115 0.155 19635 256 1 1 . 1 1 53 53 SER CB C 53 62.340 62.340 62.147 0.193 19635 257 1 1 . 1 1 53 53 SER H H 53 8.385 8.385 8.591 -0.206 19635 258 1 1 . 1 1 54 54 GLN N N 54 122.316 122.316 121.364 0.952 19635 259 1 1 . 1 1 54 54 GLN HA H 54 4.219 4.219 4.127 0.092 19635 260 1 1 . 1 1 54 54 GLN C C 54 179.361 179.361 178.673 0.688 19635 261 1 1 . 1 1 54 54 GLN CA C 54 58.618 58.618 58.864 -0.246 19635 262 1 1 . 1 1 54 54 GLN CB C 54 29.942 29.942 28.703 1.239 19635 263 1 1 . 1 1 54 54 GLN H H 54 8.478 8.478 8.429 0.049 19635 264 1 1 . 1 1 55 55 LEU N N 55 122.348 122.348 120.965 1.383 19635 265 1 1 . 1 1 55 55 LEU HA H 55 4.209 4.209 3.980 0.229 19635 266 1 1 . 1 1 55 55 LEU C C 55 178.989 178.989 179.262 -0.273 19635 267 1 1 . 1 1 55 55 LEU CA C 55 57.972 57.972 58.099 -0.127 19635 268 1 1 . 1 1 55 55 LEU CB C 55 41.910 41.910 41.603 0.306 19635 269 1 1 . 1 1 55 55 LEU H H 55 8.354 8.354 8.405 -0.051 19635 270 1 1 . 1 1 56 56 HIS N N 56 119.481 119.481 116.925 2.556 19635 271 1 1 . 1 1 56 56 HIS HA H 56 4.358 4.358 4.375 -0.017 19635 272 1 1 . 1 1 56 56 HIS C C 56 179.671 179.671 177.454 2.217 19635 273 1 1 . 1 1 56 56 HIS CA C 56 60.757 60.757 59.748 1.009 19635 274 1 1 . 1 1 56 56 HIS CB C 56 30.670 30.670 30.062 0.608 19635 275 1 1 . 1 1 56 56 HIS H H 56 8.592 8.592 8.629 -0.037 19635 276 1 1 . 1 1 57 57 ALA N N 57 122.582 122.582 121.390 1.192 19635 277 1 1 . 1 1 57 57 ALA HA H 57 4.289 4.289 4.120 0.169 19635 278 1 1 . 1 1 57 57 ALA C C 57 179.919 179.919 179.206 0.713 19635 279 1 1 . 1 1 57 57 ALA CA C 57 54.877 54.877 54.766 0.111 19635 280 1 1 . 1 1 57 57 ALA CB C 57 17.716 17.716 18.161 -0.445 19635 281 1 1 . 1 1 57 57 ALA H H 57 8.091 8.091 8.128 -0.037 19635 282 1 1 . 1 1 58 58 ALA N N 58 122.641 122.641 120.438 2.203 19635 283 1 1 . 1 1 58 58 ALA HA H 58 3.812 3.812 3.965 -0.153 19635 284 1 1 . 1 1 58 58 ALA C C 58 178.570 178.570 178.947 -0.377 19635 285 1 1 . 1 1 58 58 ALA CA C 58 55.149 55.149 54.970 0.179 19635 286 1 1 . 1 1 58 58 ALA CB C 58 17.677 17.677 18.509 -0.832 19635 287 1 1 . 1 1 58 58 ALA H H 58 7.835 7.835 7.985 -0.150 19635 288 1 1 . 1 1 59 59 ALA N N 59 117.349 117.349 119.821 -2.472 19635 289 1 1 . 1 1 59 59 ALA HA H 59 3.802 3.802 4.139 -0.337 19635 290 1 1 . 1 1 59 59 ALA C C 59 179.360 179.360 179.179 0.181 19635 291 1 1 . 1 1 59 59 ALA CA C 59 55.149 55.149 54.657 0.492 19635 292 1 1 . 1 1 59 59 ALA CB C 59 17.509 17.509 18.301 -0.792 19635 293 1 1 . 1 1 59 59 ALA H H 59 7.390 7.390 7.566 -0.176 19635 294 1 1 . 1 1 60 60 ALA N N 60 119.393 119.393 120.626 -1.233 19635 295 1 1 . 1 1 60 60 ALA HA H 60 4.279 4.279 4.144 0.135 19635 296 1 1 . 1 1 60 60 ALA C C 60 179.315 179.315 179.676 -0.361 19635 297 1 1 . 1 1 60 60 ALA CA C 60 54.644 54.644 54.817 -0.173 19635 298 1 1 . 1 1 60 60 ALA CB C 60 17.625 17.625 18.503 -0.878 19635 299 1 1 . 1 1 60 60 ALA H H 60 7.944 7.944 7.479 0.465 19635 300 1 1 . 1 1 61 61 ARG N N 61 116.621 116.621 118.484 -1.863 19635 301 1 1 . 1 1 61 61 ARG HA H 61 4.229 4.229 4.060 0.169 19635 302 1 1 . 1 1 61 61 ARG C C 61 180.214 180.214 178.854 1.360 19635 303 1 1 . 1 1 61 61 ARG CA C 61 59.519 59.519 59.388 0.131 19635 304 1 1 . 1 1 61 61 ARG CB C 61 31.216 31.216 29.998 1.218 19635 305 1 1 . 1 1 61 61 ARG H H 61 7.739 7.739 7.627 0.112 19635 306 1 1 . 1 1 62 62 ILE N N 62 117.642 117.642 118.872 -1.230 19635 307 1 1 . 1 1 62 62 ILE HA H 62 3.742 3.742 4.000 -0.258 19635 308 1 1 . 1 1 62 62 ILE C C 62 178.214 178.214 177.907 0.307 19635 309 1 1 . 1 1 62 62 ILE CA C 62 63.705 63.705 64.187 -0.482 19635 310 1 1 . 1 1 62 62 ILE CB C 62 36.221 36.221 37.674 -1.453 19635 311 1 1 . 1 1 62 62 ILE H H 62 7.315 7.315 7.305 0.010 19635 312 1 1 . 1 1 63 63 GLY N N 63 107.326 107.326 108.362 -1.036 19635 313 1 1 . 1 1 63 63 GLY C C 63 176.152 176.152 175.736 0.416 19635 314 1 1 . 1 1 63 63 GLY CA C 63 47.975 47.975 47.465 0.510 19635 315 1 1 . 1 1 63 63 GLY H H 63 7.862 7.862 8.329 -0.467 19635 316 1 1 . 1 1 64 64 ASP N N 64 121.729 121.729 122.000 -0.271 19635 317 1 1 . 1 1 64 64 ASP HA H 64 4.447 4.447 4.548 -0.101 19635 318 1 1 . 1 1 64 64 ASP C C 64 178.338 178.338 177.530 0.808 19635 319 1 1 . 1 1 64 64 ASP CA C 64 57.516 57.516 56.551 0.965 19635 320 1 1 . 1 1 64 64 ASP CB C 64 40.135 40.135 41.044 -0.909 19635 321 1 1 . 1 1 64 64 ASP H H 64 8.899 8.899 7.980 0.919 19635 322 1 1 . 1 1 65 65 PHE N N 65 122.347 122.347 122.152 0.195 19635 323 1 1 . 1 1 65 65 PHE HA H 65 4.259 4.259 4.072 0.187 19635 324 1 1 . 1 1 65 65 PHE C C 65 176.989 176.989 177.216 -0.227 19635 325 1 1 . 1 1 65 65 PHE CA C 65 61.357 61.357 61.537 -0.180 19635 326 1 1 . 1 1 65 65 PHE CB C 65 39.589 39.589 39.081 0.508 19635 327 1 1 . 1 1 65 65 PHE H H 65 7.662 7.662 7.860 -0.198 19635 328 1 1 . 1 1 66 66 TYR N N 66 117.664 117.664 117.010 0.654 19635 329 1 1 . 1 1 66 66 TYR HA H 66 3.752 3.752 4.238 -0.486 19635 330 1 1 . 1 1 66 66 TYR C C 66 179.253 179.253 178.350 0.903 19635 331 1 1 . 1 1 66 66 TYR CA C 66 63.822 63.822 62.660 1.162 19635 332 1 1 . 1 1 66 66 TYR CB C 66 38.532 38.532 38.254 0.278 19635 333 1 1 . 1 1 66 66 TYR H H 66 8.105 8.105 8.526 -0.421 19635 334 1 1 . 1 1 67 67 GLN N N 67 117.372 117.372 117.894 -0.522 19635 335 1 1 . 1 1 67 67 GLN HA H 67 3.752 3.752 4.195 -0.443 19635 336 1 1 . 1 1 67 67 GLN C C 67 180.322 180.322 179.062 1.260 19635 337 1 1 . 1 1 67 67 GLN CA C 67 59.714 59.714 59.107 0.607 19635 338 1 1 . 1 1 67 67 GLN CB C 67 27.759 27.759 28.408 -0.649 19635 339 1 1 . 1 1 67 67 GLN H H 67 8.263 8.263 7.999 0.264 19635 340 1 1 . 1 1 68 68 GLU N N 68 122.805 122.805 118.415 4.390 19635 341 1 1 . 1 1 68 68 GLU HA H 68 4.130 4.130 4.144 -0.014 19635 342 1 1 . 1 1 68 68 GLU C C 68 178.400 178.400 177.386 1.014 19635 343 1 1 . 1 1 68 68 GLU CA C 68 56.062 56.062 58.096 -2.034 19635 344 1 1 . 1 1 68 68 GLU CB C 68 41.955 41.955 29.147 12.808 19635 345 1 1 . 1 1 68 68 GLU H H 68 8.525 8.525 7.895 0.630 19635 346 1 1 . 1 1 69 69 LYS N N 69 116.254 116.254 115.884 0.370 19635 347 1 1 . 1 1 69 69 LYS HA H 69 4.223 4.223 4.242 -0.019 19635 348 1 1 . 1 1 69 69 LYS C C 69 176.090 176.090 176.817 -0.727 19635 349 1 1 . 1 1 69 69 LYS CA C 69 54.692 54.692 55.095 -0.403 19635 350 1 1 . 1 1 69 69 LYS CB C 69 31.685 31.685 32.375 -0.690 19635 351 1 1 . 1 1 69 69 LYS H H 69 7.413 7.413 7.499 -0.086 19635 352 1 1 . 1 1 70 70 GLY N N 70 105.876 105.876 105.375 0.501 19635 353 1 1 . 1 1 70 70 GLY C C 70 174.602 174.602 175.050 -0.448 19635 354 1 1 . 1 1 70 70 GLY CA C 70 45.197 45.197 44.704 0.493 19635 355 1 1 . 1 1 70 70 GLY H H 70 7.770 7.770 7.606 0.164 19635 356 1 1 . 1 1 71 71 TYR N N 71 124.341 124.341 121.962 2.379 19635 357 1 1 . 1 1 71 71 TYR HA H 71 4.795 4.795 4.743 0.052 19635 358 1 1 . 1 1 71 71 TYR C C 71 177.082 177.082 176.108 0.974 19635 359 1 1 . 1 1 71 71 TYR CA C 71 57.431 57.431 56.667 0.764 19635 360 1 1 . 1 1 71 71 TYR CB C 71 36.524 36.524 36.331 0.193 19635 361 1 1 . 1 1 71 71 TYR H H 71 8.387 8.387 8.013 0.374 19635 362 1 1 . 1 1 72 72 VAL N N 72 113.636 113.636 122.368 -8.732 19635 363 1 1 . 1 1 72 72 VAL HA H 72 4.010 4.010 3.924 0.086 19635 364 1 1 . 1 1 72 72 VAL C C 72 176.989 176.989 176.735 0.254 19635 365 1 1 . 1 1 72 72 VAL CA C 72 64.251 64.251 63.975 0.276 19635 366 1 1 . 1 1 72 72 VAL CB C 72 31.440 31.440 31.595 -0.155 19635 367 1 1 . 1 1 72 72 VAL H H 72 7.239 7.239 7.746 -0.507 19635 368 1 1 . 1 1 73 73 LEU N N 73 120.170 120.170 117.257 2.913 19635 369 1 1 . 1 1 73 73 LEU HA H 73 4.487 4.487 4.364 0.123 19635 370 1 1 . 1 1 73 73 LEU C C 73 176.927 176.927 176.710 0.217 19635 371 1 1 . 1 1 73 73 LEU CA C 73 54.474 54.474 54.611 -0.137 19635 372 1 1 . 1 1 73 73 LEU CB C 73 41.819 41.819 41.697 0.122 19635 373 1 1 . 1 1 73 73 LEU H H 73 8.765 8.765 7.740 1.025 19635 374 1 1 . 1 1 74 74 ALA N N 74 122.084 122.084 122.036 0.048 19635 375 1 1 . 1 1 74 74 ALA HA H 74 4.537 4.537 4.973 -0.436 19635 376 1 1 . 1 1 74 74 ALA C C 74 177.516 177.516 176.730 0.786 19635 377 1 1 . 1 1 74 74 ALA CA C 74 52.329 52.329 51.448 0.881 19635 378 1 1 . 1 1 74 74 ALA CB C 74 21.065 21.065 20.364 0.701 19635 379 1 1 . 1 1 74 74 ALA H H 74 7.322 7.322 7.396 -0.074 19635 380 1 1 . 1 1 75 75 ARG N N 75 118.061 118.061 122.624 -4.563 19635 381 1 1 . 1 1 75 75 ARG HA H 75 4.606 4.606 4.578 0.028 19635 382 1 1 . 1 1 75 75 ARG C C 75 173.036 173.036 173.860 -0.824 19635 383 1 1 . 1 1 75 75 ARG CA C 75 54.604 54.604 55.422 -0.818 19635 384 1 1 . 1 1 75 75 ARG CB C 75 34.037 34.037 34.126 -0.089 19635 385 1 1 . 1 1 75 75 ARG H H 75 8.521 8.521 8.938 -0.417 19635 386 1 1 . 1 1 76 76 ALA N N 76 122.847 122.847 128.756 -5.909 19635 387 1 1 . 1 1 76 76 ALA HA H 76 5.533 5.533 5.409 0.124 19635 388 1 1 . 1 1 76 76 ALA C C 76 176.028 176.028 175.569 0.459 19635 389 1 1 . 1 1 76 76 ALA CA C 76 50.219 50.219 50.317 -0.098 19635 390 1 1 . 1 1 76 76 ALA CB C 76 22.464 22.464 20.916 1.548 19635 391 1 1 . 1 1 76 76 ALA H H 76 8.553 8.553 8.717 -0.164 19635 392 1 1 . 1 1 77 77 PHE N N 77 117.410 117.410 118.239 -0.829 19635 393 1 1 . 1 1 77 77 PHE HA H 77 4.922 4.922 5.051 -0.129 19635 394 1 1 . 1 1 77 77 PHE C C 77 172.091 172.091 173.304 -1.213 19635 395 1 1 . 1 1 77 77 PHE CA C 77 55.697 55.697 55.572 0.125 19635 396 1 1 . 1 1 77 77 PHE CB C 77 41.637 41.637 41.871 -0.234 19635 397 1 1 . 1 1 77 77 PHE H H 77 9.079 9.079 8.577 0.502 19635 398 1 1 . 1 1 78 78 LEU N N 78 123.541 123.541 124.229 -0.688 19635 399 1 1 . 1 1 78 78 LEU HA H 78 5.023 5.023 4.610 0.413 19635 400 1 1 . 1 1 78 78 LEU C C 78 174.494 174.494 175.653 -1.159 19635 401 1 1 . 1 1 78 78 LEU CA C 78 51.328 51.328 51.739 -0.411 19635 402 1 1 . 1 1 78 78 LEU CB C 78 42.774 42.774 43.477 -0.703 19635 403 1 1 . 1 1 78 78 LEU H H 78 9.031 9.031 8.840 0.191 19635 404 1 1 . 1 1 79 79 PRO HA H 79 4.661 4.661 4.639 0.022 19635 405 1 1 . 1 1 79 79 PRO C C 79 176.239 176.239 176.434 -0.195 19635 406 1 1 . 1 1 79 79 PRO CA C 79 62.067 62.067 63.463 -1.396 19635 407 1 1 . 1 1 79 79 PRO CB C 79 32.672 32.672 32.243 0.429 19635 408 1 1 . 1 1 80 80 ALA N N 80 124.122 124.122 122.334 1.788 19635 409 1 1 . 1 1 80 80 ALA HA H 80 4.379 4.379 3.770 0.609 19635 410 1 1 . 1 1 80 80 ALA C C 80 177.807 177.807 176.535 1.272 19635 411 1 1 . 1 1 80 80 ALA CA C 80 53.291 53.291 53.736 -0.445 19635 412 1 1 . 1 1 80 80 ALA CB C 80 17.692 17.692 17.190 0.502 19635 413 1 1 . 1 1 80 80 ALA H H 80 8.488 8.488 7.974 0.514 19635 414 1 1 . 1 1 81 81 GLN N N 81 118.018 118.018 121.085 -3.067 19635 415 1 1 . 1 1 81 81 GLN HA H 81 5.234 5.234 4.031 1.203 19635 416 1 1 . 1 1 81 81 GLN C C 81 173.284 173.284 174.465 -1.181 19635 417 1 1 . 1 1 81 81 GLN CA C 81 55.332 55.332 56.540 -1.208 19635 418 1 1 . 1 1 81 81 GLN CB C 81 31.580 31.580 27.185 4.395 19635 419 1 1 . 1 1 81 81 GLN H H 81 8.157 8.157 8.407 -0.250 19635 420 1 1 . 1 1 83 83 ILE HA H 83 4.121 4.121 3.822 0.299 19635 421 1 1 . 1 1 83 83 ILE C C 83 175.873 175.873 176.928 -1.055 19635 422 1 1 . 1 1 83 83 ILE CA C 83 62.249 62.249 61.670 0.579 19635 423 1 1 . 1 1 83 83 ILE CB C 83 37.495 37.495 38.555 -1.060 19635 424 1 1 . 1 1 84 84 GLN N N 84 126.522 126.522 124.079 2.443 19635 425 1 1 . 1 1 84 84 GLN HA H 84 4.111 4.111 4.234 -0.123 19635 426 1 1 . 1 1 84 84 GLN C C 84 176.028 176.028 176.124 -0.096 19635 427 1 1 . 1 1 84 84 GLN CA C 84 61.521 61.521 55.994 5.527 19635 428 1 1 . 1 1 84 84 GLN CB C 84 37.464 37.464 29.102 8.362 19635 429 1 1 . 1 1 84 84 GLN H H 84 8.679 8.679 8.421 0.258 19635 430 1 1 . 1 1 85 85 ASP HA H 85 4.488 4.488 4.412 0.076 19635 431 1 1 . 1 1 85 85 ASP C C 85 176.709 176.709 175.630 1.079 19635 432 1 1 . 1 1 85 85 ASP CA C 85 54.513 54.513 53.865 0.648 19635 433 1 1 . 1 1 85 85 ASP CB C 85 40.643 40.643 39.165 1.478 19635 434 1 1 . 1 1 86 86 GLY N N 86 104.397 104.397 106.586 -2.189 19635 435 1 1 . 1 1 86 86 GLY C C 86 174.308 174.308 173.129 1.179 19635 436 1 1 . 1 1 86 86 GLY CA C 86 46.323 46.323 45.544 0.779 19635 437 1 1 . 1 1 86 86 GLY H H 86 8.310 8.310 8.026 0.284 19635 438 1 1 . 1 1 87 87 THR N N 87 119.045 119.045 120.814 -1.769 19635 439 1 1 . 1 1 87 87 THR HA H 87 4.670 4.670 4.956 -0.286 19635 440 1 1 . 1 1 87 87 THR C C 87 172.943 172.943 173.465 -0.522 19635 441 1 1 . 1 1 87 87 THR CA C 87 61.905 61.905 62.565 -0.659 19635 442 1 1 . 1 1 87 87 THR CB C 87 68.779 68.779 69.589 -0.810 19635 443 1 1 . 1 1 87 87 THR H H 87 7.877 7.877 7.723 0.154 19635 444 1 1 . 1 1 88 88 VAL N N 88 127.859 127.859 121.682 6.177 19635 445 1 1 . 1 1 88 88 VAL HA H 88 4.110 4.110 4.436 -0.326 19635 446 1 1 . 1 1 88 88 VAL C C 88 174.463 174.463 174.378 0.085 19635 447 1 1 . 1 1 88 88 VAL CA C 88 61.157 61.157 59.744 1.413 19635 448 1 1 . 1 1 88 88 VAL CB C 88 33.237 33.237 33.567 -0.330 19635 449 1 1 . 1 1 88 88 VAL H H 88 8.241 8.241 8.362 -0.121 19635 450 1 1 . 1 1 89 89 ARG N N 89 129.825 129.825 126.158 3.667 19635 451 1 1 . 1 1 89 89 ARG HA H 89 5.234 5.234 5.441 -0.207 19635 452 1 1 . 1 1 89 89 ARG C C 89 175.470 175.470 175.512 -0.042 19635 453 1 1 . 1 1 89 89 ARG CA C 89 55.357 55.357 54.654 0.703 19635 454 1 1 . 1 1 89 89 ARG CB C 89 31.594 31.594 32.957 -1.363 19635 455 1 1 . 1 1 89 89 ARG H H 89 9.541 9.541 8.503 1.038 19635 456 1 1 . 1 1 90 90 ILE N N 90 123.428 123.428 125.298 -1.870 19635 457 1 1 . 1 1 90 90 ILE HA H 90 4.299 4.299 4.241 0.058 19635 458 1 1 . 1 1 90 90 ILE C C 90 174.106 174.106 174.069 0.037 19635 459 1 1 . 1 1 90 90 ILE CA C 90 60.444 60.444 60.236 0.208 19635 460 1 1 . 1 1 90 90 ILE CB C 90 41.390 41.390 41.455 -0.065 19635 461 1 1 . 1 1 90 90 ILE H H 90 8.641 8.641 9.148 -0.507 19635 462 1 1 . 1 1 91 91 GLU N N 91 126.760 126.760 126.510 0.250 19635 463 1 1 . 1 1 91 91 GLU HA H 91 4.903 4.903 4.886 0.017 19635 464 1 1 . 1 1 91 91 GLU C C 91 174.246 174.246 175.613 -1.367 19635 465 1 1 . 1 1 91 91 GLU CA C 91 54.422 54.422 54.173 0.249 19635 466 1 1 . 1 1 91 91 GLU CB C 91 32.035 32.035 30.093 1.942 19635 467 1 1 . 1 1 91 91 GLU H H 91 8.388 8.388 8.713 -0.325 19635 468 1 1 . 1 1 92 92 VAL N N 92 122.222 122.222 126.344 -4.122 19635 469 1 1 . 1 1 92 92 VAL HA H 92 4.385 4.385 3.966 0.419 19635 470 1 1 . 1 1 92 92 VAL C C 92 174.835 174.835 175.135 -0.300 19635 471 1 1 . 1 1 92 92 VAL CA C 92 61.066 61.066 61.711 -0.645 19635 472 1 1 . 1 1 92 92 VAL CB C 92 33.946 33.946 31.513 2.433 19635 473 1 1 . 1 1 92 92 VAL H H 92 8.790 8.790 8.960 -0.170 19635 474 1 1 . 1 1 93 93 LEU N N 93 128.617 128.617 130.682 -2.065 19635 475 1 1 . 1 1 93 93 LEU HA H 93 4.812 4.812 4.597 0.215 19635 476 1 1 . 1 1 93 93 LEU C C 93 176.540 176.540 176.417 0.123 19635 477 1 1 . 1 1 93 93 LEU CA C 93 53.148 53.148 53.866 -0.718 19635 478 1 1 . 1 1 93 93 LEU CB C 93 43.229 43.229 41.336 1.893 19635 479 1 1 . 1 1 93 93 LEU H H 93 8.980 8.980 8.943 0.037 19635 480 1 1 . 1 1 94 94 GLU N N 94 123.476 123.476 125.413 -1.937 19635 481 1 1 . 1 1 94 94 GLU HA H 94 3.821 3.821 4.090 -0.269 19635 482 1 1 . 1 1 94 94 GLU C C 94 175.408 175.408 176.270 -0.862 19635 483 1 1 . 1 1 94 94 GLU CA C 94 57.797 57.797 57.651 0.146 19635 484 1 1 . 1 1 94 94 GLU CB C 94 29.676 29.676 30.238 -0.562 19635 485 1 1 . 1 1 94 94 GLU H H 94 8.930 8.930 7.997 0.933 19635 486 1 2 . 1 1 8 8 HIS HA H 8 4.637 4.637 4.567 0.070 19635 487 1 2 . 1 1 8 8 HIS C C 8 174.897 174.897 174.680 0.217 19635 488 1 2 . 1 1 8 8 HIS CA C 8 56.534 56.534 56.782 -0.248 19635 489 1 2 . 1 1 8 8 HIS CB C 8 31.030 31.030 31.991 -0.961 19635 490 1 2 . 1 1 9 9 VAL N N 9 121.834 121.834 118.722 3.112 19635 491 1 2 . 1 1 9 9 VAL HA H 9 4.111 4.111 4.098 0.013 19635 492 1 2 . 1 1 9 9 VAL C C 9 175.486 175.486 175.372 0.114 19635 493 1 2 . 1 1 9 9 VAL CA C 9 62.115 62.115 63.483 -1.368 19635 494 1 2 . 1 1 9 9 VAL CB C 9 33.036 33.036 34.591 -1.555 19635 495 1 2 . 1 1 9 9 VAL H H 9 7.998 7.998 8.884 -0.886 19635 496 1 2 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.271 0.312 19635 497 1 2 . 1 1 10 10 ASP CA C 10 54.510 54.510 55.394 -0.884 19635 498 1 2 . 1 1 10 10 ASP CB C 10 41.545 41.545 40.020 1.525 19635 499 1 2 . 1 1 11 11 ASP HA H 11 4.583 4.583 4.788 -0.205 19635 500 1 2 . 1 1 11 11 ASP C C 11 176.012 176.012 174.363 1.649 19635 501 1 2 . 1 1 11 11 ASP CA C 11 54.692 54.692 53.572 1.119 19635 502 1 2 . 1 1 11 11 ASP CB C 11 41.545 41.545 41.614 -0.069 19635 503 1 2 . 1 1 12 12 ASP N N 12 120.751 120.751 119.568 1.183 19635 504 1 2 . 1 1 12 12 ASP HA H 12 4.581 4.581 4.707 -0.126 19635 505 1 2 . 1 1 12 12 ASP C C 12 176.385 176.385 175.156 1.229 19635 506 1 2 . 1 1 12 12 ASP CA C 12 54.695 54.695 53.669 1.026 19635 507 1 2 . 1 1 12 12 ASP CB C 12 41.363 41.363 43.965 -2.602 19635 508 1 2 . 1 1 12 12 ASP H H 12 8.249 8.249 7.758 0.491 19635 509 1 2 . 1 1 13 13 ASP N N 13 120.536 120.536 121.876 -1.340 19635 510 1 2 . 1 1 13 13 ASP HA H 13 4.576 4.576 4.460 0.116 19635 511 1 2 . 1 1 13 13 ASP C C 13 176.818 176.818 176.168 0.650 19635 512 1 2 . 1 1 13 13 ASP CA C 13 54.877 54.877 54.789 0.088 19635 513 1 2 . 1 1 13 13 ASP CB C 13 41.318 41.318 40.978 0.340 19635 514 1 2 . 1 1 13 13 ASP H H 13 8.291 8.291 8.572 -0.281 19635 515 1 2 . 1 1 14 14 LYS N N 14 120.496 120.496 128.435 -7.939 19635 516 1 2 . 1 1 14 14 LYS HA H 14 4.303 4.303 4.419 -0.116 19635 517 1 2 . 1 1 14 14 LYS C C 14 177.190 177.190 175.199 1.991 19635 518 1 2 . 1 1 14 14 LYS CA C 14 56.788 56.788 55.417 1.371 19635 519 1 2 . 1 1 14 14 LYS CB C 14 32.399 32.399 31.235 1.164 19635 520 1 2 . 1 1 14 14 LYS H H 14 8.181 8.181 8.475 -0.294 19635 521 1 2 . 1 1 15 15 MET N N 15 119.518 119.518 121.533 -2.015 19635 522 1 2 . 1 1 15 15 MET HA H 15 4.546 4.546 4.625 -0.079 19635 523 1 2 . 1 1 15 15 MET C C 15 176.881 176.881 177.289 -0.408 19635 524 1 2 . 1 1 15 15 MET CA C 15 55.696 55.696 56.471 -0.775 19635 525 1 2 . 1 1 15 15 MET CB C 15 32.490 32.490 33.931 -1.440 19635 526 1 2 . 1 1 15 15 MET H H 15 8.276 8.276 7.976 0.300 19635 527 1 2 . 1 1 16 16 GLY N N 16 109.506 109.506 108.053 1.453 19635 528 1 2 . 1 1 16 16 GLY C C 16 174.432 174.432 174.186 0.246 19635 529 1 2 . 1 1 16 16 GLY CA C 16 45.498 45.498 45.197 0.301 19635 530 1 2 . 1 1 16 16 GLY H H 16 8.373 8.373 8.371 0.002 19635 531 1 2 . 1 1 17 17 GLY N N 17 108.711 108.711 107.186 1.525 19635 532 1 2 . 1 1 17 17 GLY C C 17 171.409 171.409 171.845 -0.436 19635 533 1 2 . 1 1 17 17 GLY CA C 17 44.685 44.685 44.343 0.342 19635 534 1 2 . 1 1 17 17 GLY H H 17 8.116 8.116 7.428 0.688 19635 535 1 2 . 1 1 18 18 PRO HA H 18 4.744 4.744 4.491 0.253 19635 536 1 2 . 1 1 18 18 PRO C C 18 176.462 176.462 177.289 -0.827 19635 537 1 2 . 1 1 18 18 PRO CA C 18 62.795 62.795 62.768 0.027 19635 538 1 2 . 1 1 18 18 PRO CB C 18 35.220 35.220 32.409 2.811 19635 539 1 2 . 1 1 19 19 THR N N 19 111.524 111.524 112.699 -1.175 19635 540 1 2 . 1 1 19 19 THR HA H 19 4.744 4.744 4.509 0.235 19635 541 1 2 . 1 1 19 19 THR C C 19 173.827 173.827 174.459 -0.632 19635 542 1 2 . 1 1 19 19 THR CA C 19 59.988 59.988 61.467 -1.479 19635 543 1 2 . 1 1 19 19 THR CB C 19 71.622 71.622 69.705 1.917 19635 544 1 2 . 1 1 19 19 THR H H 19 8.229 8.229 8.406 -0.177 19635 545 1 2 . 1 1 20 20 VAL N N 20 119.259 119.259 125.478 -6.219 19635 546 1 2 . 1 1 20 20 VAL HA H 20 4.378 4.378 4.339 0.039 19635 547 1 2 . 1 1 20 20 VAL C C 20 173.718 173.718 174.914 -1.196 19635 548 1 2 . 1 1 20 20 VAL CA C 20 59.714 59.714 61.119 -1.405 19635 549 1 2 . 1 1 20 20 VAL CB C 20 35.482 35.482 34.188 1.294 19635 550 1 2 . 1 1 20 20 VAL H H 20 8.740 8.740 9.042 -0.302 19635 551 1 2 . 1 1 21 21 LEU N N 21 127.557 127.557 130.705 -3.148 19635 552 1 2 . 1 1 21 21 LEU HA H 21 4.427 4.427 4.495 -0.068 19635 553 1 2 . 1 1 21 21 LEU C C 21 175.362 175.362 175.554 -0.192 19635 554 1 2 . 1 1 21 21 LEU CA C 21 54.604 54.604 55.343 -0.739 19635 555 1 2 . 1 1 21 21 LEU CB C 21 40.720 40.720 42.127 -1.407 19635 556 1 2 . 1 1 21 21 LEU H H 21 8.229 8.229 8.704 -0.475 19635 557 1 2 . 1 1 22 22 VAL N N 22 128.501 128.501 126.626 1.875 19635 558 1 2 . 1 1 22 22 VAL HA H 22 3.648 3.648 4.131 -0.483 19635 559 1 2 . 1 1 22 22 VAL C C 22 175.346 175.346 175.404 -0.058 19635 560 1 2 . 1 1 22 22 VAL CA C 22 63.146 63.146 61.827 1.319 19635 561 1 2 . 1 1 22 22 VAL CB C 22 32.151 32.151 32.221 -0.070 19635 562 1 2 . 1 1 22 22 VAL H H 22 8.132 8.132 8.375 -0.243 19635 563 1 2 . 1 1 23 23 LYS N N 23 127.302 127.302 127.892 -0.590 19635 564 1 2 . 1 1 23 23 LYS HA H 23 4.420 4.420 4.573 -0.153 19635 565 1 2 . 1 1 23 23 LYS C C 23 176.385 176.385 175.818 0.567 19635 566 1 2 . 1 1 23 23 LYS CA C 23 56.975 56.975 56.600 0.375 19635 567 1 2 . 1 1 23 23 LYS CB C 23 34.150 34.150 34.837 -0.687 19635 568 1 2 . 1 1 23 23 LYS H H 23 9.694 9.694 9.101 0.594 19635 569 1 2 . 1 1 24 24 ARG N N 24 114.443 114.443 117.047 -2.604 19635 570 1 2 . 1 1 24 24 ARG HA H 24 4.468 4.468 4.611 -0.143 19635 571 1 2 . 1 1 24 24 ARG C C 24 172.401 172.401 173.741 -1.340 19635 572 1 2 . 1 1 24 24 ARG CA C 24 54.596 54.596 55.514 -0.918 19635 573 1 2 . 1 1 24 24 ARG CB C 24 32.125 32.125 32.623 -0.498 19635 574 1 2 . 1 1 24 24 ARG H H 24 7.735 7.735 8.040 -0.305 19635 575 1 2 . 1 1 25 25 PHE N N 25 117.669 117.669 119.200 -1.531 19635 576 1 2 . 1 1 25 25 PHE HA H 25 5.561 5.561 5.383 0.178 19635 577 1 2 . 1 1 25 25 PHE C C 25 174.618 174.618 175.635 -1.017 19635 578 1 2 . 1 1 25 25 PHE CA C 25 56.333 56.333 56.798 -0.465 19635 579 1 2 . 1 1 25 25 PHE CB C 25 42.319 42.319 41.062 1.257 19635 580 1 2 . 1 1 25 25 PHE H H 25 8.550 8.550 8.637 -0.087 19635 581 1 2 . 1 1 26 26 GLN N N 26 121.215 121.215 122.161 -0.946 19635 582 1 2 . 1 1 26 26 GLN HA H 26 4.576 4.576 4.902 -0.326 19635 583 1 2 . 1 1 26 26 GLN C C 26 173.904 173.904 174.387 -0.483 19635 584 1 2 . 1 1 26 26 GLN CA C 26 54.695 54.695 54.492 0.203 19635 585 1 2 . 1 1 26 26 GLN CB C 26 32.077 32.077 32.493 -0.416 19635 586 1 2 . 1 1 26 26 GLN H H 26 8.926 8.926 9.234 -0.308 19635 587 1 2 . 1 1 27 27 LEU N N 27 126.971 126.971 127.965 -0.994 19635 588 1 2 . 1 1 27 27 LEU HA H 27 5.285 5.285 5.434 -0.149 19635 589 1 2 . 1 1 27 27 LEU C C 27 177.098 177.098 176.477 0.621 19635 590 1 2 . 1 1 27 27 LEU CA C 27 53.512 53.512 53.374 0.138 19635 591 1 2 . 1 1 27 27 LEU CB C 27 44.048 44.048 43.410 0.638 19635 592 1 2 . 1 1 27 27 LEU H H 27 8.906 8.906 9.650 -0.744 19635 593 1 2 . 1 1 28 28 SER N N 28 114.562 114.562 117.007 -2.445 19635 594 1 2 . 1 1 28 28 SER HA H 28 4.866 4.866 4.696 0.170 19635 595 1 2 . 1 1 28 28 SER C C 28 173.811 173.811 174.606 -0.795 19635 596 1 2 . 1 1 28 28 SER CA C 28 57.249 57.249 56.788 0.461 19635 597 1 2 . 1 1 28 28 SER CB C 28 65.161 65.161 64.784 0.377 19635 598 1 2 . 1 1 28 28 SER H H 28 8.114 8.114 8.939 -0.825 19635 599 1 2 . 1 1 29 29 GLY N N 29 112.273 112.273 113.859 -1.586 19635 600 1 2 . 1 1 29 29 GLY C C 29 173.548 173.548 173.394 0.154 19635 601 1 2 . 1 1 29 29 GLY CA C 29 45.235 45.235 45.202 0.033 19635 602 1 2 . 1 1 29 29 GLY H H 29 8.714 8.714 8.950 -0.236 19635 603 1 2 . 1 1 30 30 ASN N N 30 114.106 114.106 118.057 -3.951 19635 604 1 2 . 1 1 30 30 ASN HA H 30 4.536 4.536 4.654 -0.118 19635 605 1 2 . 1 1 30 30 ASN C C 30 174.804 174.804 174.191 0.613 19635 606 1 2 . 1 1 30 30 ASN CA C 30 53.876 53.876 53.409 0.467 19635 607 1 2 . 1 1 30 30 ASN CB C 30 37.495 37.495 38.425 -0.930 19635 608 1 2 . 1 1 30 30 ASN H H 30 9.436 9.436 8.029 1.407 19635 609 1 2 . 1 1 31 31 ARG N N 31 124.382 124.382 123.387 0.995 19635 610 1 2 . 1 1 31 31 ARG HA H 31 4.408 4.408 4.525 -0.117 19635 611 1 2 . 1 1 31 31 ARG C C 31 177.656 177.656 177.274 0.382 19635 612 1 2 . 1 1 31 31 ARG CA C 31 57.066 57.066 57.014 0.052 19635 613 1 2 . 1 1 31 31 ARG CB C 31 32.689 32.689 31.988 0.701 19635 614 1 2 . 1 1 31 31 ARG H H 31 9.427 9.427 9.428 -0.001 19635 615 1 2 . 1 1 32 32 GLN N N 32 122.307 122.307 118.233 4.074 19635 616 1 2 . 1 1 32 32 GLN HA H 32 3.804 3.804 3.937 -0.133 19635 617 1 2 . 1 1 32 32 GLN C C 32 175.005 175.005 176.300 -1.295 19635 618 1 2 . 1 1 32 32 GLN CA C 32 57.243 57.243 57.528 -0.285 19635 619 1 2 . 1 1 32 32 GLN CB C 32 28.850 28.850 29.087 -0.237 19635 620 1 2 . 1 1 32 32 GLN H H 32 10.333 10.333 8.979 1.354 19635 621 1 2 . 1 1 33 33 PHE N N 33 110.633 110.633 116.939 -6.306 19635 622 1 2 . 1 1 33 33 PHE HA H 33 4.815 4.815 4.654 0.161 19635 623 1 2 . 1 1 33 33 PHE C C 33 174.215 174.215 174.305 -0.090 19635 624 1 2 . 1 1 33 33 PHE CA C 33 55.514 55.514 56.438 -0.924 19635 625 1 2 . 1 1 33 33 PHE CB C 33 43.006 43.006 41.814 1.192 19635 626 1 2 . 1 1 33 33 PHE H H 33 6.698 6.698 7.603 -0.905 19635 627 1 2 . 1 1 34 34 ASP N N 34 120.588 120.588 120.008 0.580 19635 628 1 2 . 1 1 34 34 ASP HA H 34 4.547 4.547 4.670 -0.123 19635 629 1 2 . 1 1 34 34 ASP C C 34 175.253 175.253 176.885 -1.632 19635 630 1 2 . 1 1 34 34 ASP CA C 34 52.684 52.684 52.672 0.012 19635 631 1 2 . 1 1 34 34 ASP CB C 34 42.276 42.276 43.025 -0.749 19635 632 1 2 . 1 1 34 34 ASP H H 34 8.477 8.477 8.295 0.182 19635 633 1 2 . 1 1 35 35 ASP N N 35 118.353 118.353 120.705 -2.352 19635 634 1 2 . 1 1 35 35 ASP HA H 35 4.022 4.022 4.272 -0.250 19635 635 1 2 . 1 1 35 35 ASP C C 35 177.826 177.826 178.335 -0.509 19635 636 1 2 . 1 1 35 35 ASP CA C 35 57.607 57.607 59.130 -1.523 19635 637 1 2 . 1 1 35 35 ASP CB C 35 39.771 39.771 40.861 -1.089 19635 638 1 2 . 1 1 35 35 ASP H H 35 8.507 8.507 8.852 -0.345 19635 639 1 2 . 1 1 36 36 ARG N N 36 117.028 117.028 118.616 -1.588 19635 640 1 2 . 1 1 36 36 ARG HA H 36 3.873 3.873 3.998 -0.125 19635 641 1 2 . 1 1 36 36 ARG C C 36 179.206 179.206 178.854 0.352 19635 642 1 2 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.981 0.629 19635 643 1 2 . 1 1 36 36 ARG CB C 36 29.422 29.422 30.234 -0.812 19635 644 1 2 . 1 1 36 36 ARG H H 36 8.111 8.111 7.909 0.202 19635 645 1 2 . 1 1 37 37 ARG N N 37 119.265 119.265 119.756 -0.491 19635 646 1 2 . 1 1 37 37 ARG HA H 37 4.020 4.020 4.142 -0.122 19635 647 1 2 . 1 1 37 37 ARG C C 37 177.950 177.950 178.037 -0.087 19635 648 1 2 . 1 1 37 37 ARG CA C 37 57.698 57.698 58.086 -0.388 19635 649 1 2 . 1 1 37 37 ARG CB C 37 30.124 30.124 29.648 0.476 19635 650 1 2 . 1 1 37 37 ARG H H 37 7.826 7.826 7.682 0.144 19635 651 1 2 . 1 1 38 38 LEU N N 38 115.462 115.462 119.086 -3.624 19635 652 1 2 . 1 1 38 38 LEU HA H 38 3.819 3.819 3.914 -0.095 19635 653 1 2 . 1 1 38 38 LEU C C 38 179.067 179.067 179.392 -0.325 19635 654 1 2 . 1 1 38 38 LEU CA C 38 56.333 56.333 56.222 0.111 19635 655 1 2 . 1 1 38 38 LEU CB C 38 42.046 42.046 41.206 0.840 19635 656 1 2 . 1 1 38 38 LEU H H 38 7.365 7.365 7.863 -0.498 19635 657 1 2 . 1 1 39 39 LEU N N 39 117.922 117.922 121.112 -3.190 19635 658 1 2 . 1 1 39 39 LEU HA H 39 3.823 3.823 3.847 -0.024 19635 659 1 2 . 1 1 39 39 LEU C C 39 181.051 181.051 178.848 2.203 19635 660 1 2 . 1 1 39 39 LEU CA C 39 57.607 57.607 57.572 0.035 19635 661 1 2 . 1 1 39 39 LEU CB C 39 41.089 41.089 40.641 0.448 19635 662 1 2 . 1 1 39 39 LEU H H 39 9.081 9.081 8.681 0.400 19635 663 1 2 . 1 1 40 40 ALA N N 40 121.136 121.136 120.465 0.671 19635 664 1 2 . 1 1 40 40 ALA HA H 40 4.077 4.077 4.043 0.034 19635 665 1 2 . 1 1 40 40 ALA C C 40 180.059 180.059 179.615 0.444 19635 666 1 2 . 1 1 40 40 ALA CA C 40 54.514 54.514 54.379 0.135 19635 667 1 2 . 1 1 40 40 ALA CB C 40 17.716 17.716 18.179 -0.463 19635 668 1 2 . 1 1 40 40 ALA H H 40 7.266 7.266 7.446 -0.179 19635 669 1 2 . 1 1 41 41 LEU N N 41 115.253 115.253 117.966 -2.713 19635 670 1 2 . 1 1 41 41 LEU HA H 41 4.128 4.128 4.076 0.052 19635 671 1 2 . 1 1 41 41 LEU C C 41 177.966 177.966 177.125 0.841 19635 672 1 2 . 1 1 41 41 LEU CA C 41 55.971 55.971 57.122 -1.151 19635 673 1 2 . 1 1 41 41 LEU CB C 41 42.093 42.093 42.209 -0.116 19635 674 1 2 . 1 1 41 41 LEU H H 41 7.215 7.215 7.493 -0.278 19635 675 1 2 . 1 1 42 42 LEU N N 42 116.365 116.365 115.706 0.659 19635 676 1 2 . 1 1 42 42 LEU HA H 42 4.298 4.298 4.466 -0.168 19635 677 1 2 . 1 1 42 42 LEU C C 42 177.842 177.842 177.629 0.213 19635 678 1 2 . 1 1 42 42 LEU CA C 42 53.232 53.232 51.584 1.648 19635 679 1 2 . 1 1 42 42 LEU CB C 42 41.955 41.955 38.550 3.405 19635 680 1 2 . 1 1 42 42 LEU H H 42 7.392 7.392 7.621 -0.229 19635 681 1 2 . 1 1 43 43 HIS N N 43 117.222 117.222 119.279 -2.057 19635 682 1 2 . 1 1 43 43 HIS HA H 43 4.279 4.279 4.247 0.032 19635 683 1 2 . 1 1 43 43 HIS C C 43 174.494 174.494 175.364 -0.870 19635 684 1 2 . 1 1 43 43 HIS CA C 43 59.428 59.428 58.809 0.619 19635 685 1 2 . 1 1 43 43 HIS CB C 43 31.216 31.216 29.403 1.813 19635 686 1 2 . 1 1 43 43 HIS H H 43 7.012 7.012 7.523 -0.511 19635 687 1 2 . 1 1 44 44 ASP N N 44 116.296 116.296 116.693 -0.397 19635 688 1 2 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.393 -0.055 19635 689 1 2 . 1 1 44 44 ASP C C 44 176.385 176.385 175.984 0.401 19635 690 1 2 . 1 1 44 44 ASP CA C 44 53.785 53.785 53.805 -0.020 19635 691 1 2 . 1 1 44 44 ASP CB C 44 38.989 38.989 40.618 -1.629 19635 692 1 2 . 1 1 44 44 ASP H H 44 9.235 9.235 7.888 1.347 19635 693 1 2 . 1 1 45 45 LEU N N 45 119.937 119.937 121.696 -1.759 19635 694 1 2 . 1 1 45 45 LEU HA H 45 4.212 4.212 4.573 -0.361 19635 695 1 2 . 1 1 45 45 LEU C C 45 173.563 173.563 175.777 -2.214 19635 696 1 2 . 1 1 45 45 LEU CA C 45 57.881 57.881 56.767 1.113 19635 697 1 2 . 1 1 45 45 LEU CB C 45 41.955 41.955 40.278 1.677 19635 698 1 2 . 1 1 45 45 LEU H H 45 7.866 7.866 8.128 -0.262 19635 699 1 2 . 1 1 46 46 PRO HA H 46 3.992 3.992 4.325 -0.333 19635 700 1 2 . 1 1 46 46 PRO C C 46 177.160 177.160 177.551 -0.391 19635 701 1 2 . 1 1 46 46 PRO CA C 46 65.036 65.036 63.229 1.807 19635 702 1 2 . 1 1 46 46 PRO CB C 46 29.032 29.032 32.423 -3.391 19635 703 1 2 . 1 1 47 47 GLY N N 47 111.431 111.431 110.662 0.769 19635 704 1 2 . 1 1 47 47 GLY C C 47 173.827 173.827 174.229 -0.402 19635 705 1 2 . 1 1 47 47 GLY CA C 47 44.685 44.685 44.930 -0.245 19635 706 1 2 . 1 1 47 47 GLY H H 47 9.411 9.411 8.827 0.584 19635 707 1 2 . 1 1 48 48 GLN N N 48 117.897 117.897 119.273 -1.376 19635 708 1 2 . 1 1 48 48 GLN HA H 48 4.507 4.507 4.640 -0.133 19635 709 1 2 . 1 1 48 48 GLN C C 48 174.525 174.525 174.093 0.432 19635 710 1 2 . 1 1 48 48 GLN CA C 48 54.695 54.695 53.469 1.226 19635 711 1 2 . 1 1 48 48 GLN CB C 48 31.034 31.034 31.655 -0.621 19635 712 1 2 . 1 1 48 48 GLN H H 48 7.871 7.871 7.547 0.324 19635 713 1 2 . 1 1 49 49 GLU N N 49 120.443 120.443 120.665 -0.222 19635 714 1 2 . 1 1 49 49 GLU HA H 49 4.815 4.815 4.543 0.272 19635 715 1 2 . 1 1 49 49 GLU C C 49 175.672 175.672 175.498 0.174 19635 716 1 2 . 1 1 49 49 GLU CA C 49 55.423 55.423 55.448 -0.025 19635 717 1 2 . 1 1 49 49 GLU CB C 49 30.224 30.224 30.326 -0.102 19635 718 1 2 . 1 1 49 49 GLU H H 49 8.369 8.369 8.676 -0.307 19635 719 1 2 . 1 1 50 50 LEU N N 50 125.608 125.608 126.263 -0.655 19635 720 1 2 . 1 1 50 50 LEU HA H 50 5.010 5.010 4.699 0.311 19635 721 1 2 . 1 1 50 50 LEU C C 50 176.338 176.338 177.243 -0.905 19635 722 1 2 . 1 1 50 50 LEU CA C 50 53.232 53.232 52.617 0.615 19635 723 1 2 . 1 1 50 50 LEU CB C 50 45.413 45.413 41.631 3.782 19635 724 1 2 . 1 1 50 50 LEU H H 50 8.663 8.663 8.633 0.029 19635 725 1 2 . 1 1 51 51 ASN N N 51 118.769 118.769 122.591 -3.822 19635 726 1 2 . 1 1 51 51 ASN HA H 51 5.183 5.183 5.083 0.100 19635 727 1 2 . 1 1 51 51 ASN C C 51 176.013 176.013 176.533 -0.520 19635 728 1 2 . 1 1 51 51 ASN CA C 51 50.600 50.600 52.211 -1.611 19635 729 1 2 . 1 1 51 51 ASN CB C 51 39.407 39.407 40.038 -0.631 19635 730 1 2 . 1 1 51 51 ASN H H 51 8.897 8.897 9.535 -0.638 19635 731 1 2 . 1 1 52 52 LEU N N 52 118.818 118.818 119.712 -0.894 19635 732 1 2 . 1 1 52 52 LEU HA H 52 4.041 4.041 4.032 0.009 19635 733 1 2 . 1 1 52 52 LEU C C 52 179.036 179.036 178.766 0.270 19635 734 1 2 . 1 1 52 52 LEU CA C 52 58.609 58.609 58.353 0.256 19635 735 1 2 . 1 1 52 52 LEU CB C 52 41.773 41.773 40.762 1.011 19635 736 1 2 . 1 1 52 52 LEU H H 52 8.585 8.585 8.666 -0.081 19635 737 1 2 . 1 1 53 53 SER N N 53 115.007 115.007 114.229 0.778 19635 738 1 2 . 1 1 53 53 SER HA H 53 4.358 4.358 3.986 0.372 19635 739 1 2 . 1 1 53 53 SER C C 53 178.307 178.307 177.055 1.252 19635 740 1 2 . 1 1 53 53 SER CA C 53 62.270 62.270 61.212 1.058 19635 741 1 2 . 1 1 53 53 SER CB C 53 62.340 62.340 62.937 -0.597 19635 742 1 2 . 1 1 53 53 SER H H 53 8.385 8.385 8.569 -0.184 19635 743 1 2 . 1 1 54 54 GLN N N 54 122.316 122.316 120.837 1.479 19635 744 1 2 . 1 1 54 54 GLN HA H 54 4.219 4.219 4.028 0.191 19635 745 1 2 . 1 1 54 54 GLN C C 54 179.361 179.361 178.365 0.996 19635 746 1 2 . 1 1 54 54 GLN CA C 54 58.618 58.618 58.177 0.441 19635 747 1 2 . 1 1 54 54 GLN CB C 54 29.942 29.942 28.710 1.232 19635 748 1 2 . 1 1 54 54 GLN H H 54 8.478 8.478 7.632 0.846 19635 749 1 2 . 1 1 55 55 LEU N N 55 122.348 122.348 120.589 1.759 19635 750 1 2 . 1 1 55 55 LEU HA H 55 4.209 4.209 3.959 0.250 19635 751 1 2 . 1 1 55 55 LEU C C 55 178.989 178.989 179.046 -0.057 19635 752 1 2 . 1 1 55 55 LEU CA C 55 57.972 57.972 58.188 -0.216 19635 753 1 2 . 1 1 55 55 LEU CB C 55 41.910 41.910 41.884 0.026 19635 754 1 2 . 1 1 55 55 LEU H H 55 8.354 8.354 8.187 0.167 19635 755 1 2 . 1 1 56 56 HIS N N 56 119.481 119.481 114.864 4.617 19635 756 1 2 . 1 1 56 56 HIS HA H 56 4.358 4.358 4.524 -0.166 19635 757 1 2 . 1 1 56 56 HIS C C 56 179.671 179.671 176.989 2.682 19635 758 1 2 . 1 1 56 56 HIS CA C 56 60.757 60.757 58.068 2.689 19635 759 1 2 . 1 1 56 56 HIS CB C 56 30.670 30.670 28.849 1.821 19635 760 1 2 . 1 1 56 56 HIS H H 56 8.592 8.592 7.971 0.621 19635 761 1 2 . 1 1 57 57 ALA N N 57 122.582 122.582 122.025 0.557 19635 762 1 2 . 1 1 57 57 ALA HA H 57 4.289 4.289 4.037 0.252 19635 763 1 2 . 1 1 57 57 ALA C C 57 179.919 179.919 179.153 0.766 19635 764 1 2 . 1 1 57 57 ALA CA C 57 54.877 54.877 54.711 0.166 19635 765 1 2 . 1 1 57 57 ALA CB C 57 17.716 17.716 17.746 -0.030 19635 766 1 2 . 1 1 57 57 ALA H H 57 8.091 8.091 7.604 0.487 19635 767 1 2 . 1 1 58 58 ALA N N 58 122.641 122.641 121.110 1.531 19635 768 1 2 . 1 1 58 58 ALA HA H 58 3.812 3.812 3.908 -0.096 19635 769 1 2 . 1 1 58 58 ALA C C 58 178.570 178.570 178.992 -0.422 19635 770 1 2 . 1 1 58 58 ALA CA C 58 55.149 55.149 54.938 0.211 19635 771 1 2 . 1 1 58 58 ALA CB C 58 17.677 17.677 18.408 -0.731 19635 772 1 2 . 1 1 58 58 ALA H H 58 7.835 7.835 7.774 0.061 19635 773 1 2 . 1 1 59 59 ALA N N 59 117.349 117.349 120.224 -2.875 19635 774 1 2 . 1 1 59 59 ALA HA H 59 3.802 3.802 4.091 -0.289 19635 775 1 2 . 1 1 59 59 ALA C C 59 179.360 179.360 179.452 -0.092 19635 776 1 2 . 1 1 59 59 ALA CA C 59 55.149 55.149 54.658 0.491 19635 777 1 2 . 1 1 59 59 ALA CB C 59 17.509 17.509 18.375 -0.866 19635 778 1 2 . 1 1 59 59 ALA H H 59 7.390 7.390 7.573 -0.183 19635 779 1 2 . 1 1 60 60 ALA N N 60 119.393 119.393 121.647 -2.254 19635 780 1 2 . 1 1 60 60 ALA HA H 60 4.279 4.279 4.085 0.194 19635 781 1 2 . 1 1 60 60 ALA C C 60 179.315 179.315 179.593 -0.278 19635 782 1 2 . 1 1 60 60 ALA CA C 60 54.644 54.644 54.830 -0.186 19635 783 1 2 . 1 1 60 60 ALA CB C 60 17.625 17.625 18.432 -0.807 19635 784 1 2 . 1 1 60 60 ALA H H 60 7.944 7.944 7.974 -0.030 19635 785 1 2 . 1 1 61 61 ARG N N 61 116.621 116.621 118.745 -2.124 19635 786 1 2 . 1 1 61 61 ARG HA H 61 4.229 4.229 4.018 0.211 19635 787 1 2 . 1 1 61 61 ARG C C 61 180.214 180.214 178.905 1.309 19635 788 1 2 . 1 1 61 61 ARG CA C 61 59.519 59.519 59.671 -0.152 19635 789 1 2 . 1 1 61 61 ARG CB C 61 31.216 31.216 30.089 1.127 19635 790 1 2 . 1 1 61 61 ARG H H 61 7.739 7.739 7.951 -0.212 19635 791 1 2 . 1 1 62 62 ILE N N 62 117.642 117.642 118.423 -0.781 19635 792 1 2 . 1 1 62 62 ILE HA H 62 3.742 3.742 3.991 -0.249 19635 793 1 2 . 1 1 62 62 ILE C C 62 178.214 178.214 177.946 0.268 19635 794 1 2 . 1 1 62 62 ILE CA C 62 63.705 63.705 64.080 -0.375 19635 795 1 2 . 1 1 62 62 ILE CB C 62 36.221 36.221 37.587 -1.366 19635 796 1 2 . 1 1 62 62 ILE H H 62 7.315 7.315 7.225 0.090 19635 797 1 2 . 1 1 63 63 GLY N N 63 107.326 107.326 108.938 -1.612 19635 798 1 2 . 1 1 63 63 GLY C C 63 176.152 176.152 175.652 0.500 19635 799 1 2 . 1 1 63 63 GLY CA C 63 47.975 47.975 47.648 0.327 19635 800 1 2 . 1 1 63 63 GLY H H 63 7.862 7.862 8.501 -0.639 19635 801 1 2 . 1 1 64 64 ASP N N 64 121.729 121.729 122.448 -0.719 19635 802 1 2 . 1 1 64 64 ASP HA H 64 4.447 4.447 4.473 -0.026 19635 803 1 2 . 1 1 64 64 ASP C C 64 178.338 178.338 177.889 0.449 19635 804 1 2 . 1 1 64 64 ASP CA C 64 57.516 57.516 57.141 0.375 19635 805 1 2 . 1 1 64 64 ASP CB C 64 40.135 40.135 40.948 -0.813 19635 806 1 2 . 1 1 64 64 ASP H H 64 8.899 8.899 8.274 0.625 19635 807 1 2 . 1 1 65 65 PHE N N 65 122.347 122.347 121.465 0.882 19635 808 1 2 . 1 1 65 65 PHE HA H 65 4.259 4.259 4.046 0.213 19635 809 1 2 . 1 1 65 65 PHE C C 65 176.989 176.989 177.301 -0.312 19635 810 1 2 . 1 1 65 65 PHE CA C 65 61.357 61.357 61.825 -0.468 19635 811 1 2 . 1 1 65 65 PHE CB C 65 39.589 39.589 39.125 0.464 19635 812 1 2 . 1 1 65 65 PHE H H 65 7.662 7.662 7.799 -0.137 19635 813 1 2 . 1 1 66 66 TYR N N 66 117.664 117.664 117.905 -0.241 19635 814 1 2 . 1 1 66 66 TYR HA H 66 3.752 3.752 4.241 -0.489 19635 815 1 2 . 1 1 66 66 TYR C C 66 179.253 179.253 178.381 0.872 19635 816 1 2 . 1 1 66 66 TYR CA C 66 63.822 63.822 62.658 1.164 19635 817 1 2 . 1 1 66 66 TYR CB C 66 38.532 38.532 38.328 0.204 19635 818 1 2 . 1 1 66 66 TYR H H 66 8.105 8.105 8.525 -0.420 19635 819 1 2 . 1 1 67 67 GLN N N 67 117.372 117.372 117.640 -0.268 19635 820 1 2 . 1 1 67 67 GLN HA H 67 3.752 3.752 4.122 -0.370 19635 821 1 2 . 1 1 67 67 GLN C C 67 180.322 180.322 178.876 1.446 19635 822 1 2 . 1 1 67 67 GLN CA C 67 59.714 59.714 59.024 0.690 19635 823 1 2 . 1 1 67 67 GLN CB C 67 27.759 27.759 28.390 -0.631 19635 824 1 2 . 1 1 67 67 GLN H H 67 8.263 8.263 8.115 0.148 19635 825 1 2 . 1 1 68 68 GLU N N 68 122.805 122.805 119.292 3.513 19635 826 1 2 . 1 1 68 68 GLU HA H 68 4.130 4.130 4.084 0.046 19635 827 1 2 . 1 1 68 68 GLU C C 68 178.400 178.400 177.502 0.898 19635 828 1 2 . 1 1 68 68 GLU CA C 68 56.062 56.062 58.545 -2.483 19635 829 1 2 . 1 1 68 68 GLU CB C 68 41.955 41.955 29.338 12.617 19635 830 1 2 . 1 1 68 68 GLU H H 68 8.525 8.525 8.232 0.293 19635 831 1 2 . 1 1 69 69 LYS N N 69 116.254 116.254 116.653 -0.399 19635 832 1 2 . 1 1 69 69 LYS HA H 69 4.223 4.223 4.183 0.040 19635 833 1 2 . 1 1 69 69 LYS C C 69 176.090 176.090 176.318 -0.228 19635 834 1 2 . 1 1 69 69 LYS CA C 69 54.692 54.692 55.393 -0.701 19635 835 1 2 . 1 1 69 69 LYS CB C 69 31.685 31.685 32.290 -0.605 19635 836 1 2 . 1 1 69 69 LYS H H 69 7.413 7.413 7.455 -0.042 19635 837 1 2 . 1 1 70 70 GLY N N 70 105.876 105.876 106.262 -0.386 19635 838 1 2 . 1 1 70 70 GLY C C 70 174.602 174.602 174.786 -0.184 19635 839 1 2 . 1 1 70 70 GLY CA C 70 45.197 45.197 44.890 0.307 19635 840 1 2 . 1 1 70 70 GLY H H 70 7.770 7.770 7.871 -0.101 19635 841 1 2 . 1 1 71 71 TYR N N 71 124.341 124.341 121.703 2.638 19635 842 1 2 . 1 1 71 71 TYR HA H 71 4.795 4.795 4.669 0.126 19635 843 1 2 . 1 1 71 71 TYR C C 71 177.082 177.082 176.073 1.009 19635 844 1 2 . 1 1 71 71 TYR CA C 71 57.431 57.431 56.610 0.821 19635 845 1 2 . 1 1 71 71 TYR CB C 71 36.524 36.524 36.188 0.336 19635 846 1 2 . 1 1 71 71 TYR H H 71 8.387 8.387 7.965 0.422 19635 847 1 2 . 1 1 72 72 VAL N N 72 113.636 113.636 122.359 -8.723 19635 848 1 2 . 1 1 72 72 VAL HA H 72 4.010 4.010 3.893 0.117 19635 849 1 2 . 1 1 72 72 VAL C C 72 176.989 176.989 176.872 0.117 19635 850 1 2 . 1 1 72 72 VAL CA C 72 64.251 64.251 64.484 -0.233 19635 851 1 2 . 1 1 72 72 VAL CB C 72 31.440 31.440 31.825 -0.385 19635 852 1 2 . 1 1 72 72 VAL H H 72 7.239 7.239 7.770 -0.531 19635 853 1 2 . 1 1 73 73 LEU N N 73 120.170 120.170 117.610 2.560 19635 854 1 2 . 1 1 73 73 LEU HA H 73 4.487 4.487 4.343 0.144 19635 855 1 2 . 1 1 73 73 LEU C C 73 176.927 176.927 175.597 1.330 19635 856 1 2 . 1 1 73 73 LEU CA C 73 54.474 54.474 54.774 -0.300 19635 857 1 2 . 1 1 73 73 LEU CB C 73 41.819 41.819 42.088 -0.269 19635 858 1 2 . 1 1 73 73 LEU H H 73 8.765 8.765 8.152 0.613 19635 859 1 2 . 1 1 74 74 ALA N N 74 122.084 122.084 121.331 0.753 19635 860 1 2 . 1 1 74 74 ALA HA H 74 4.537 4.537 5.203 -0.666 19635 861 1 2 . 1 1 74 74 ALA C C 74 177.516 177.516 176.709 0.807 19635 862 1 2 . 1 1 74 74 ALA CA C 74 52.329 52.329 51.161 1.168 19635 863 1 2 . 1 1 74 74 ALA CB C 74 21.065 21.065 20.602 0.463 19635 864 1 2 . 1 1 74 74 ALA H H 74 7.322 7.322 7.447 -0.125 19635 865 1 2 . 1 1 75 75 ARG N N 75 118.061 118.061 120.708 -2.647 19635 866 1 2 . 1 1 75 75 ARG HA H 75 4.606 4.606 4.756 -0.150 19635 867 1 2 . 1 1 75 75 ARG C C 75 173.036 173.036 173.852 -0.816 19635 868 1 2 . 1 1 75 75 ARG CA C 75 54.604 54.604 53.718 0.886 19635 869 1 2 . 1 1 75 75 ARG CB C 75 34.037 34.037 35.388 -1.351 19635 870 1 2 . 1 1 75 75 ARG H H 75 8.521 8.521 8.771 -0.250 19635 871 1 2 . 1 1 76 76 ALA N N 76 122.847 122.847 121.946 0.901 19635 872 1 2 . 1 1 76 76 ALA HA H 76 5.533 5.533 5.250 0.283 19635 873 1 2 . 1 1 76 76 ALA C C 76 176.028 176.028 175.262 0.766 19635 874 1 2 . 1 1 76 76 ALA CA C 76 50.219 50.219 50.590 -0.371 19635 875 1 2 . 1 1 76 76 ALA CB C 76 22.464 22.464 22.077 0.387 19635 876 1 2 . 1 1 76 76 ALA H H 76 8.553 8.553 8.579 -0.026 19635 877 1 2 . 1 1 77 77 PHE N N 77 117.410 117.410 118.220 -0.810 19635 878 1 2 . 1 1 77 77 PHE HA H 77 4.922 4.922 5.117 -0.195 19635 879 1 2 . 1 1 77 77 PHE C C 77 172.091 172.091 173.368 -1.277 19635 880 1 2 . 1 1 77 77 PHE CA C 77 55.697 55.697 55.591 0.106 19635 881 1 2 . 1 1 77 77 PHE CB C 77 41.637 41.637 42.053 -0.416 19635 882 1 2 . 1 1 77 77 PHE H H 77 9.079 9.079 8.738 0.341 19635 883 1 2 . 1 1 78 78 LEU N N 78 123.541 123.541 124.951 -1.410 19635 884 1 2 . 1 1 78 78 LEU HA H 78 5.023 5.023 4.776 0.247 19635 885 1 2 . 1 1 78 78 LEU C C 78 174.494 174.494 175.347 -0.853 19635 886 1 2 . 1 1 78 78 LEU CA C 78 51.328 51.328 50.965 0.363 19635 887 1 2 . 1 1 78 78 LEU CB C 78 42.774 42.774 43.603 -0.830 19635 888 1 2 . 1 1 78 78 LEU H H 78 9.031 9.031 8.730 0.301 19635 889 1 2 . 1 1 79 79 PRO HA H 79 4.661 4.661 4.579 0.082 19635 890 1 2 . 1 1 79 79 PRO C C 79 176.239 176.239 176.320 -0.081 19635 891 1 2 . 1 1 79 79 PRO CA C 79 62.067 62.067 63.103 -1.036 19635 892 1 2 . 1 1 79 79 PRO CB C 79 32.672 32.672 32.134 0.538 19635 893 1 2 . 1 1 80 80 ALA N N 80 124.122 124.122 126.684 -2.562 19635 894 1 2 . 1 1 80 80 ALA HA H 80 4.379 4.379 4.313 0.066 19635 895 1 2 . 1 1 80 80 ALA C C 80 177.807 177.807 177.779 0.028 19635 896 1 2 . 1 1 80 80 ALA CA C 80 53.291 53.291 52.752 0.540 19635 897 1 2 . 1 1 80 80 ALA CB C 80 17.692 17.692 18.992 -1.300 19635 898 1 2 . 1 1 80 80 ALA H H 80 8.488 8.488 8.409 0.079 19635 899 1 2 . 1 1 81 81 GLN N N 81 118.018 118.018 119.466 -1.448 19635 900 1 2 . 1 1 81 81 GLN HA H 81 5.234 5.234 4.240 0.994 19635 901 1 2 . 1 1 81 81 GLN C C 81 173.284 173.284 175.477 -2.193 19635 902 1 2 . 1 1 81 81 GLN CA C 81 55.332 55.332 55.883 -0.551 19635 903 1 2 . 1 1 81 81 GLN CB C 81 31.580 31.580 28.000 3.580 19635 904 1 2 . 1 1 81 81 GLN H H 81 8.157 8.157 7.787 0.370 19635 905 1 2 . 1 1 83 83 ILE HA H 83 4.121 4.121 4.103 0.018 19635 906 1 2 . 1 1 83 83 ILE C C 83 175.873 175.873 176.819 -0.946 19635 907 1 2 . 1 1 83 83 ILE CA C 83 62.249 62.249 61.775 0.474 19635 908 1 2 . 1 1 83 83 ILE CB C 83 37.495 37.495 38.649 -1.154 19635 909 1 2 . 1 1 84 84 GLN N N 84 126.522 126.522 124.829 1.693 19635 910 1 2 . 1 1 84 84 GLN HA H 84 4.111 4.111 4.452 -0.341 19635 911 1 2 . 1 1 84 84 GLN C C 84 176.028 176.028 174.561 1.467 19635 912 1 2 . 1 1 84 84 GLN CA C 84 61.521 61.521 54.983 6.538 19635 913 1 2 . 1 1 84 84 GLN CB C 84 37.464 37.464 30.213 7.251 19635 914 1 2 . 1 1 84 84 GLN H H 84 8.679 8.679 8.434 0.245 19635 915 1 2 . 1 1 85 85 ASP HA H 85 4.488 4.488 4.565 -0.077 19635 916 1 2 . 1 1 85 85 ASP C C 85 176.709 176.709 176.956 -0.247 19635 917 1 2 . 1 1 85 85 ASP CA C 85 54.513 54.513 53.070 1.443 19635 918 1 2 . 1 1 85 85 ASP CB C 85 40.643 40.643 43.120 -2.477 19635 919 1 2 . 1 1 86 86 GLY N N 86 104.397 104.397 111.745 -7.348 19635 920 1 2 . 1 1 86 86 GLY C C 86 174.308 174.308 174.326 -0.018 19635 921 1 2 . 1 1 86 86 GLY CA C 86 46.323 46.323 46.347 -0.024 19635 922 1 2 . 1 1 86 86 GLY H H 86 8.310 8.310 8.990 -0.680 19635 923 1 2 . 1 1 87 87 THR N N 87 119.045 119.045 121.521 -2.476 19635 924 1 2 . 1 1 87 87 THR HA H 87 4.670 4.670 5.174 -0.504 19635 925 1 2 . 1 1 87 87 THR C C 87 172.943 172.943 174.231 -1.288 19635 926 1 2 . 1 1 87 87 THR CA C 87 61.905 61.905 63.125 -1.220 19635 927 1 2 . 1 1 87 87 THR CB C 87 68.779 68.779 69.749 -0.970 19635 928 1 2 . 1 1 87 87 THR H H 87 7.877 7.877 7.779 0.098 19635 929 1 2 . 1 1 88 88 VAL N N 88 127.859 127.859 120.959 6.900 19635 930 1 2 . 1 1 88 88 VAL HA H 88 4.110 4.110 4.556 -0.446 19635 931 1 2 . 1 1 88 88 VAL C C 88 174.463 174.463 174.182 0.281 19635 932 1 2 . 1 1 88 88 VAL CA C 88 61.157 61.157 59.638 1.519 19635 933 1 2 . 1 1 88 88 VAL CB C 88 33.237 33.237 34.574 -1.337 19635 934 1 2 . 1 1 88 88 VAL H H 88 8.241 8.241 8.449 -0.208 19635 935 1 2 . 1 1 89 89 ARG N N 89 129.825 129.825 127.313 2.512 19635 936 1 2 . 1 1 89 89 ARG HA H 89 5.234 5.234 5.375 -0.141 19635 937 1 2 . 1 1 89 89 ARG C C 89 175.470 175.470 175.731 -0.261 19635 938 1 2 . 1 1 89 89 ARG CA C 89 55.357 55.357 54.907 0.450 19635 939 1 2 . 1 1 89 89 ARG CB C 89 31.594 31.594 32.051 -0.457 19635 940 1 2 . 1 1 89 89 ARG H H 89 9.541 9.541 8.532 1.009 19635 941 1 2 . 1 1 90 90 ILE N N 90 123.428 123.428 127.361 -3.933 19635 942 1 2 . 1 1 90 90 ILE HA H 90 4.299 4.299 4.229 0.070 19635 943 1 2 . 1 1 90 90 ILE C C 90 174.106 174.106 174.283 -0.177 19635 944 1 2 . 1 1 90 90 ILE CA C 90 60.444 60.444 60.381 0.063 19635 945 1 2 . 1 1 90 90 ILE CB C 90 41.390 41.390 41.216 0.174 19635 946 1 2 . 1 1 90 90 ILE H H 90 8.641 8.641 9.159 -0.518 19635 947 1 2 . 1 1 91 91 GLU N N 91 126.760 126.760 126.847 -0.087 19635 948 1 2 . 1 1 91 91 GLU HA H 91 4.903 4.903 4.894 0.009 19635 949 1 2 . 1 1 91 91 GLU C C 91 174.246 174.246 175.434 -1.188 19635 950 1 2 . 1 1 91 91 GLU CA C 91 54.422 54.422 54.886 -0.464 19635 951 1 2 . 1 1 91 91 GLU CB C 91 32.035 32.035 30.962 1.073 19635 952 1 2 . 1 1 91 91 GLU H H 91 8.388 8.388 8.625 -0.237 19635 953 1 2 . 1 1 92 92 VAL N N 92 122.222 122.222 124.151 -1.929 19635 954 1 2 . 1 1 92 92 VAL HA H 92 4.385 4.385 4.122 0.263 19635 955 1 2 . 1 1 92 92 VAL C C 92 174.835 174.835 174.354 0.481 19635 956 1 2 . 1 1 92 92 VAL CA C 92 61.066 61.066 61.172 -0.106 19635 957 1 2 . 1 1 92 92 VAL CB C 92 33.946 33.946 32.250 1.696 19635 958 1 2 . 1 1 92 92 VAL H H 92 8.790 8.790 8.994 -0.204 19635 959 1 2 . 1 1 93 93 LEU N N 93 128.617 128.617 129.577 -0.960 19635 960 1 2 . 1 1 93 93 LEU HA H 93 4.812 4.812 4.759 0.053 19635 961 1 2 . 1 1 93 93 LEU C C 93 176.540 176.540 175.635 0.905 19635 962 1 2 . 1 1 93 93 LEU CA C 93 53.148 53.148 53.529 -0.381 19635 963 1 2 . 1 1 93 93 LEU CB C 93 43.229 43.229 43.172 0.057 19635 964 1 2 . 1 1 93 93 LEU H H 93 8.980 8.980 9.191 -0.211 19635 965 1 2 . 1 1 94 94 GLU N N 94 123.476 123.476 127.352 -3.876 19635 966 1 2 . 1 1 94 94 GLU HA H 94 3.821 3.821 4.318 -0.497 19635 967 1 2 . 1 1 94 94 GLU C C 94 175.408 175.408 176.132 -0.724 19635 968 1 2 . 1 1 94 94 GLU CA C 94 57.797 57.797 55.886 1.911 19635 969 1 2 . 1 1 94 94 GLU CB C 94 29.676 29.676 29.164 0.512 19635 970 1 2 . 1 1 94 94 GLU H H 94 8.930 8.930 8.762 0.168 19635 971 1 3 . 1 1 8 8 HIS HA H 8 4.637 4.637 4.417 0.220 19635 972 1 3 . 1 1 8 8 HIS C C 8 174.897 174.897 174.129 0.768 19635 973 1 3 . 1 1 8 8 HIS CA C 8 56.534 56.534 54.368 2.166 19635 974 1 3 . 1 1 8 8 HIS CB C 8 31.030 31.030 28.296 2.734 19635 975 1 3 . 1 1 9 9 VAL N N 9 121.834 121.834 124.071 -2.237 19635 976 1 3 . 1 1 9 9 VAL HA H 9 4.111 4.111 3.712 0.399 19635 977 1 3 . 1 1 9 9 VAL C C 9 175.486 175.486 176.112 -0.626 19635 978 1 3 . 1 1 9 9 VAL CA C 9 62.115 62.115 62.967 -0.851 19635 979 1 3 . 1 1 9 9 VAL CB C 9 33.036 33.036 31.879 1.157 19635 980 1 3 . 1 1 9 9 VAL H H 9 7.998 7.998 7.721 0.277 19635 981 1 3 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.328 0.255 19635 982 1 3 . 1 1 10 10 ASP CA C 10 54.510 54.510 54.989 -0.479 19635 983 1 3 . 1 1 10 10 ASP CB C 10 41.545 41.545 40.290 1.255 19635 984 1 3 . 1 1 11 11 ASP HA H 11 4.583 4.583 4.651 -0.068 19635 985 1 3 . 1 1 11 11 ASP C C 11 176.012 176.012 175.141 0.871 19635 986 1 3 . 1 1 11 11 ASP CA C 11 54.692 54.692 53.168 1.524 19635 987 1 3 . 1 1 11 11 ASP CB C 11 41.545 41.545 42.772 -1.227 19635 988 1 3 . 1 1 12 12 ASP N N 12 120.751 120.751 120.878 -0.127 19635 989 1 3 . 1 1 12 12 ASP HA H 12 4.581 4.581 4.754 -0.173 19635 990 1 3 . 1 1 12 12 ASP C C 12 176.385 176.385 176.530 -0.145 19635 991 1 3 . 1 1 12 12 ASP CA C 12 54.695 54.695 53.206 1.489 19635 992 1 3 . 1 1 12 12 ASP CB C 12 41.363 41.363 43.383 -2.020 19635 993 1 3 . 1 1 12 12 ASP H H 12 8.249 8.249 8.336 -0.087 19635 994 1 3 . 1 1 13 13 ASP N N 13 120.536 120.536 121.124 -0.588 19635 995 1 3 . 1 1 13 13 ASP HA H 13 4.576 4.576 4.326 0.250 19635 996 1 3 . 1 1 13 13 ASP C C 13 176.818 176.818 177.158 -0.340 19635 997 1 3 . 1 1 13 13 ASP CA C 13 54.877 54.877 56.807 -1.931 19635 998 1 3 . 1 1 13 13 ASP CB C 13 41.318 41.318 41.333 -0.015 19635 999 1 3 . 1 1 13 13 ASP H H 13 8.291 8.291 8.511 -0.220 19635 1000 1 3 . 1 1 14 14 LYS N N 14 120.496 120.496 118.226 2.270 19635 1001 1 3 . 1 1 14 14 LYS HA H 14 4.303 4.303 4.440 -0.137 19635 1002 1 3 . 1 1 14 14 LYS C C 14 177.190 177.190 175.050 2.140 19635 1003 1 3 . 1 1 14 14 LYS CA C 14 56.788 56.788 56.118 0.670 19635 1004 1 3 . 1 1 14 14 LYS CB C 14 32.399 32.399 32.182 0.217 19635 1005 1 3 . 1 1 14 14 LYS H H 14 8.181 8.181 7.948 0.233 19635 1006 1 3 . 1 1 15 15 MET N N 15 119.518 119.518 123.472 -3.954 19635 1007 1 3 . 1 1 15 15 MET HA H 15 4.546 4.546 4.571 -0.025 19635 1008 1 3 . 1 1 15 15 MET C C 15 176.881 176.881 176.214 0.667 19635 1009 1 3 . 1 1 15 15 MET CA C 15 55.696 55.696 54.928 0.768 19635 1010 1 3 . 1 1 15 15 MET CB C 15 32.490 32.490 32.580 -0.090 19635 1011 1 3 . 1 1 15 15 MET H H 15 8.276 8.276 8.820 -0.544 19635 1012 1 3 . 1 1 16 16 GLY N N 16 109.506 109.506 111.665 -2.159 19635 1013 1 3 . 1 1 16 16 GLY C C 16 174.432 174.432 173.806 0.626 19635 1014 1 3 . 1 1 16 16 GLY CA C 16 45.498 45.498 44.886 0.612 19635 1015 1 3 . 1 1 16 16 GLY H H 16 8.373 8.373 8.609 -0.236 19635 1016 1 3 . 1 1 17 17 GLY N N 17 108.711 108.711 106.388 2.323 19635 1017 1 3 . 1 1 17 17 GLY C C 17 171.409 171.409 171.767 -0.358 19635 1018 1 3 . 1 1 17 17 GLY CA C 17 44.685 44.685 44.532 0.152 19635 1019 1 3 . 1 1 17 17 GLY H H 17 8.116 8.116 7.493 0.623 19635 1020 1 3 . 1 1 18 18 PRO HA H 18 4.744 4.744 4.335 0.409 19635 1021 1 3 . 1 1 18 18 PRO C C 18 176.462 176.462 176.601 -0.139 19635 1022 1 3 . 1 1 18 18 PRO CA C 18 62.795 62.795 62.475 0.320 19635 1023 1 3 . 1 1 18 18 PRO CB C 18 35.220 35.220 32.259 2.961 19635 1024 1 3 . 1 1 19 19 THR N N 19 111.524 111.524 112.953 -1.429 19635 1025 1 3 . 1 1 19 19 THR HA H 19 4.744 4.744 4.293 0.451 19635 1026 1 3 . 1 1 19 19 THR C C 19 173.827 173.827 174.694 -0.867 19635 1027 1 3 . 1 1 19 19 THR CA C 19 59.988 59.988 61.474 -1.486 19635 1028 1 3 . 1 1 19 19 THR CB C 19 71.622 71.622 69.457 2.165 19635 1029 1 3 . 1 1 19 19 THR H H 19 8.229 8.229 8.230 -0.001 19635 1030 1 3 . 1 1 20 20 VAL N N 20 119.259 119.259 124.532 -5.273 19635 1031 1 3 . 1 1 20 20 VAL HA H 20 4.378 4.378 4.104 0.274 19635 1032 1 3 . 1 1 20 20 VAL C C 20 173.718 173.718 174.616 -0.898 19635 1033 1 3 . 1 1 20 20 VAL CA C 20 59.714 59.714 61.318 -1.604 19635 1034 1 3 . 1 1 20 20 VAL CB C 20 35.482 35.482 33.775 1.707 19635 1035 1 3 . 1 1 20 20 VAL H H 20 8.740 8.740 8.852 -0.112 19635 1036 1 3 . 1 1 21 21 LEU N N 21 127.557 127.557 130.626 -3.069 19635 1037 1 3 . 1 1 21 21 LEU HA H 21 4.427 4.427 4.606 -0.179 19635 1038 1 3 . 1 1 21 21 LEU C C 21 175.362 175.362 175.893 -0.531 19635 1039 1 3 . 1 1 21 21 LEU CA C 21 54.604 54.604 54.529 0.075 19635 1040 1 3 . 1 1 21 21 LEU CB C 21 40.720 40.720 41.677 -0.957 19635 1041 1 3 . 1 1 21 21 LEU H H 21 8.229 8.229 8.685 -0.456 19635 1042 1 3 . 1 1 22 22 VAL N N 22 128.501 128.501 129.046 -0.545 19635 1043 1 3 . 1 1 22 22 VAL HA H 22 3.648 3.648 4.244 -0.596 19635 1044 1 3 . 1 1 22 22 VAL C C 22 175.346 175.346 176.349 -1.003 19635 1045 1 3 . 1 1 22 22 VAL CA C 22 63.146 63.146 63.135 0.011 19635 1046 1 3 . 1 1 22 22 VAL CB C 22 32.151 32.151 31.781 0.370 19635 1047 1 3 . 1 1 22 22 VAL H H 22 8.132 8.132 8.313 -0.181 19635 1048 1 3 . 1 1 23 23 LYS N N 23 127.302 127.302 129.488 -2.186 19635 1049 1 3 . 1 1 23 23 LYS HA H 23 4.420 4.420 4.291 0.129 19635 1050 1 3 . 1 1 23 23 LYS C C 23 176.385 176.385 175.809 0.576 19635 1051 1 3 . 1 1 23 23 LYS CA C 23 56.975 56.975 56.838 0.137 19635 1052 1 3 . 1 1 23 23 LYS CB C 23 34.150 34.150 32.761 1.389 19635 1053 1 3 . 1 1 23 23 LYS H H 23 9.694 9.694 8.643 1.051 19635 1054 1 3 . 1 1 24 24 ARG N N 24 114.443 114.443 112.998 1.445 19635 1055 1 3 . 1 1 24 24 ARG HA H 24 4.468 4.468 4.483 -0.015 19635 1056 1 3 . 1 1 24 24 ARG C C 24 172.401 172.401 173.188 -0.787 19635 1057 1 3 . 1 1 24 24 ARG CA C 24 54.596 54.596 55.599 -1.003 19635 1058 1 3 . 1 1 24 24 ARG CB C 24 32.125 32.125 31.160 0.965 19635 1059 1 3 . 1 1 24 24 ARG H H 24 7.735 7.735 7.292 0.443 19635 1060 1 3 . 1 1 25 25 PHE N N 25 117.669 117.669 118.852 -1.183 19635 1061 1 3 . 1 1 25 25 PHE HA H 25 5.561 5.561 5.416 0.145 19635 1062 1 3 . 1 1 25 25 PHE C C 25 174.618 174.618 175.523 -0.905 19635 1063 1 3 . 1 1 25 25 PHE CA C 25 56.333 56.333 56.842 -0.509 19635 1064 1 3 . 1 1 25 25 PHE CB C 25 42.319 42.319 40.449 1.870 19635 1065 1 3 . 1 1 25 25 PHE H H 25 8.550 8.550 8.652 -0.102 19635 1066 1 3 . 1 1 26 26 GLN N N 26 121.215 121.215 123.949 -2.734 19635 1067 1 3 . 1 1 26 26 GLN HA H 26 4.576 4.576 4.930 -0.354 19635 1068 1 3 . 1 1 26 26 GLN C C 26 173.904 173.904 174.710 -0.806 19635 1069 1 3 . 1 1 26 26 GLN CA C 26 54.695 54.695 54.368 0.327 19635 1070 1 3 . 1 1 26 26 GLN CB C 26 32.077 32.077 31.490 0.587 19635 1071 1 3 . 1 1 26 26 GLN H H 26 8.926 8.926 9.281 -0.355 19635 1072 1 3 . 1 1 27 27 LEU N N 27 126.971 126.971 128.432 -1.461 19635 1073 1 3 . 1 1 27 27 LEU HA H 27 5.285 5.285 5.475 -0.190 19635 1074 1 3 . 1 1 27 27 LEU C C 27 177.098 177.098 176.557 0.541 19635 1075 1 3 . 1 1 27 27 LEU CA C 27 53.512 53.512 53.361 0.152 19635 1076 1 3 . 1 1 27 27 LEU CB C 27 44.048 44.048 42.887 1.161 19635 1077 1 3 . 1 1 27 27 LEU H H 27 8.906 8.906 9.600 -0.694 19635 1078 1 3 . 1 1 28 28 SER N N 28 114.562 114.562 117.016 -2.454 19635 1079 1 3 . 1 1 28 28 SER HA H 28 4.866 4.866 4.733 0.133 19635 1080 1 3 . 1 1 28 28 SER C C 28 173.811 173.811 174.634 -0.823 19635 1081 1 3 . 1 1 28 28 SER CA C 28 57.249 57.249 56.755 0.494 19635 1082 1 3 . 1 1 28 28 SER CB C 28 65.161 65.161 65.092 0.069 19635 1083 1 3 . 1 1 28 28 SER H H 28 8.114 8.114 8.853 -0.739 19635 1084 1 3 . 1 1 29 29 GLY N N 29 112.273 112.273 113.617 -1.344 19635 1085 1 3 . 1 1 29 29 GLY C C 29 173.548 173.548 173.441 0.107 19635 1086 1 3 . 1 1 29 29 GLY CA C 29 45.235 45.235 45.527 -0.292 19635 1087 1 3 . 1 1 29 29 GLY H H 29 8.714 8.714 8.903 -0.189 19635 1088 1 3 . 1 1 30 30 ASN N N 30 114.106 114.106 118.360 -4.254 19635 1089 1 3 . 1 1 30 30 ASN HA H 30 4.536 4.536 4.635 -0.099 19635 1090 1 3 . 1 1 30 30 ASN C C 30 174.804 174.804 174.560 0.244 19635 1091 1 3 . 1 1 30 30 ASN CA C 30 53.876 53.876 52.717 1.159 19635 1092 1 3 . 1 1 30 30 ASN CB C 30 37.495 37.495 37.883 -0.388 19635 1093 1 3 . 1 1 30 30 ASN H H 30 9.436 9.436 8.044 1.392 19635 1094 1 3 . 1 1 31 31 ARG N N 31 124.382 124.382 124.187 0.195 19635 1095 1 3 . 1 1 31 31 ARG HA H 31 4.408 4.408 4.473 -0.065 19635 1096 1 3 . 1 1 31 31 ARG C C 31 177.656 177.656 177.698 -0.042 19635 1097 1 3 . 1 1 31 31 ARG CA C 31 57.066 57.066 56.803 0.263 19635 1098 1 3 . 1 1 31 31 ARG CB C 31 32.689 32.689 31.423 1.266 19635 1099 1 3 . 1 1 31 31 ARG H H 31 9.427 9.427 9.429 -0.002 19635 1100 1 3 . 1 1 32 32 GLN N N 32 122.307 122.307 119.946 2.361 19635 1101 1 3 . 1 1 32 32 GLN HA H 32 3.804 3.804 3.898 -0.094 19635 1102 1 3 . 1 1 32 32 GLN C C 32 175.005 175.005 176.090 -1.085 19635 1103 1 3 . 1 1 32 32 GLN CA C 32 57.243 57.243 57.603 -0.360 19635 1104 1 3 . 1 1 32 32 GLN CB C 32 28.850 28.850 28.846 0.004 19635 1105 1 3 . 1 1 32 32 GLN H H 32 10.333 10.333 9.006 1.327 19635 1106 1 3 . 1 1 33 33 PHE N N 33 110.633 110.633 117.241 -6.608 19635 1107 1 3 . 1 1 33 33 PHE HA H 33 4.815 4.815 4.650 0.165 19635 1108 1 3 . 1 1 33 33 PHE C C 33 174.215 174.215 174.934 -0.719 19635 1109 1 3 . 1 1 33 33 PHE CA C 33 55.514 55.514 57.050 -1.536 19635 1110 1 3 . 1 1 33 33 PHE CB C 33 43.006 43.006 41.393 1.613 19635 1111 1 3 . 1 1 33 33 PHE H H 33 6.698 6.698 7.551 -0.853 19635 1112 1 3 . 1 1 34 34 ASP N N 34 120.588 120.588 120.709 -0.121 19635 1113 1 3 . 1 1 34 34 ASP HA H 34 4.547 4.547 4.710 -0.163 19635 1114 1 3 . 1 1 34 34 ASP C C 34 175.253 175.253 176.917 -1.664 19635 1115 1 3 . 1 1 34 34 ASP CA C 34 52.684 52.684 52.811 -0.127 19635 1116 1 3 . 1 1 34 34 ASP CB C 34 42.276 42.276 43.036 -0.760 19635 1117 1 3 . 1 1 34 34 ASP H H 34 8.477 8.477 8.399 0.078 19635 1118 1 3 . 1 1 35 35 ASP N N 35 118.353 118.353 120.042 -1.689 19635 1119 1 3 . 1 1 35 35 ASP HA H 35 4.022 4.022 4.244 -0.222 19635 1120 1 3 . 1 1 35 35 ASP C C 35 177.826 177.826 178.554 -0.728 19635 1121 1 3 . 1 1 35 35 ASP CA C 35 57.607 57.607 58.932 -1.325 19635 1122 1 3 . 1 1 35 35 ASP CB C 35 39.771 39.771 40.948 -1.177 19635 1123 1 3 . 1 1 35 35 ASP H H 35 8.507 8.507 8.816 -0.309 19635 1124 1 3 . 1 1 36 36 ARG N N 36 117.028 117.028 118.516 -1.488 19635 1125 1 3 . 1 1 36 36 ARG HA H 36 3.873 3.873 3.984 -0.111 19635 1126 1 3 . 1 1 36 36 ARG C C 36 179.206 179.206 178.940 0.266 19635 1127 1 3 . 1 1 36 36 ARG CA C 36 59.610 59.610 59.102 0.508 19635 1128 1 3 . 1 1 36 36 ARG CB C 36 29.422 29.422 30.224 -0.802 19635 1129 1 3 . 1 1 36 36 ARG H H 36 8.111 8.111 8.729 -0.618 19635 1130 1 3 . 1 1 37 37 ARG N N 37 119.265 119.265 119.378 -0.113 19635 1131 1 3 . 1 1 37 37 ARG HA H 37 4.020 4.020 4.158 -0.138 19635 1132 1 3 . 1 1 37 37 ARG C C 37 177.950 177.950 178.060 -0.110 19635 1133 1 3 . 1 1 37 37 ARG CA C 37 57.698 57.698 58.018 -0.320 19635 1134 1 3 . 1 1 37 37 ARG CB C 37 30.124 30.124 29.714 0.410 19635 1135 1 3 . 1 1 37 37 ARG H H 37 7.826 7.826 7.667 0.159 19635 1136 1 3 . 1 1 38 38 LEU N N 38 115.462 115.462 118.420 -2.958 19635 1137 1 3 . 1 1 38 38 LEU HA H 38 3.819 3.819 3.975 -0.156 19635 1138 1 3 . 1 1 38 38 LEU C C 38 179.067 179.067 179.314 -0.247 19635 1139 1 3 . 1 1 38 38 LEU CA C 38 56.333 56.333 56.420 -0.087 19635 1140 1 3 . 1 1 38 38 LEU CB C 38 42.046 42.046 41.671 0.375 19635 1141 1 3 . 1 1 38 38 LEU H H 38 7.365 7.365 7.570 -0.205 19635 1142 1 3 . 1 1 39 39 LEU N N 39 117.922 117.922 118.576 -0.654 19635 1143 1 3 . 1 1 39 39 LEU HA H 39 3.823 3.823 4.093 -0.270 19635 1144 1 3 . 1 1 39 39 LEU C C 39 181.051 181.051 178.398 2.653 19635 1145 1 3 . 1 1 39 39 LEU CA C 39 57.607 57.607 57.677 -0.070 19635 1146 1 3 . 1 1 39 39 LEU CB C 39 41.089 41.089 40.211 0.878 19635 1147 1 3 . 1 1 39 39 LEU H H 39 9.081 9.081 8.576 0.505 19635 1148 1 3 . 1 1 40 40 ALA N N 40 121.136 121.136 121.094 0.042 19635 1149 1 3 . 1 1 40 40 ALA HA H 40 4.077 4.077 4.119 -0.042 19635 1150 1 3 . 1 1 40 40 ALA C C 40 180.059 180.059 179.386 0.673 19635 1151 1 3 . 1 1 40 40 ALA CA C 40 54.514 54.514 54.149 0.365 19635 1152 1 3 . 1 1 40 40 ALA CB C 40 17.716 17.716 18.145 -0.429 19635 1153 1 3 . 1 1 40 40 ALA H H 40 7.266 7.266 7.672 -0.406 19635 1154 1 3 . 1 1 41 41 LEU N N 41 115.253 115.253 118.475 -3.222 19635 1155 1 3 . 1 1 41 41 LEU HA H 41 4.128 4.128 4.035 0.093 19635 1156 1 3 . 1 1 41 41 LEU C C 41 177.966 177.966 177.024 0.942 19635 1157 1 3 . 1 1 41 41 LEU CA C 41 55.971 55.971 57.195 -1.224 19635 1158 1 3 . 1 1 41 41 LEU CB C 41 42.093 42.093 42.075 0.018 19635 1159 1 3 . 1 1 41 41 LEU H H 41 7.215 7.215 7.533 -0.318 19635 1160 1 3 . 1 1 42 42 LEU N N 42 116.365 116.365 115.635 0.730 19635 1161 1 3 . 1 1 42 42 LEU HA H 42 4.298 4.298 4.531 -0.233 19635 1162 1 3 . 1 1 42 42 LEU C C 42 177.842 177.842 177.718 0.124 19635 1163 1 3 . 1 1 42 42 LEU CA C 42 53.232 53.232 51.554 1.678 19635 1164 1 3 . 1 1 42 42 LEU CB C 42 41.955 41.955 38.836 3.119 19635 1165 1 3 . 1 1 42 42 LEU H H 42 7.392 7.392 7.458 -0.066 19635 1166 1 3 . 1 1 43 43 HIS N N 43 117.222 117.222 119.522 -2.300 19635 1167 1 3 . 1 1 43 43 HIS HA H 43 4.279 4.279 4.254 0.025 19635 1168 1 3 . 1 1 43 43 HIS C C 43 174.494 174.494 175.443 -0.949 19635 1169 1 3 . 1 1 43 43 HIS CA C 43 59.428 59.428 58.840 0.588 19635 1170 1 3 . 1 1 43 43 HIS CB C 43 31.216 31.216 29.395 1.821 19635 1171 1 3 . 1 1 43 43 HIS H H 43 7.012 7.012 7.667 -0.655 19635 1172 1 3 . 1 1 44 44 ASP N N 44 116.296 116.296 116.986 -0.690 19635 1173 1 3 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.289 0.049 19635 1174 1 3 . 1 1 44 44 ASP C C 44 176.385 176.385 176.197 0.188 19635 1175 1 3 . 1 1 44 44 ASP CA C 44 53.785 53.785 54.249 -0.464 19635 1176 1 3 . 1 1 44 44 ASP CB C 44 38.989 38.989 40.595 -1.606 19635 1177 1 3 . 1 1 44 44 ASP H H 44 9.235 9.235 7.980 1.255 19635 1178 1 3 . 1 1 45 45 LEU N N 45 119.937 119.937 121.650 -1.713 19635 1179 1 3 . 1 1 45 45 LEU HA H 45 4.212 4.212 4.605 -0.393 19635 1180 1 3 . 1 1 45 45 LEU C C 45 173.563 173.563 175.769 -2.206 19635 1181 1 3 . 1 1 45 45 LEU CA C 45 57.881 57.881 56.501 1.380 19635 1182 1 3 . 1 1 45 45 LEU CB C 45 41.955 41.955 40.243 1.712 19635 1183 1 3 . 1 1 45 45 LEU H H 45 7.866 7.866 8.232 -0.366 19635 1184 1 3 . 1 1 46 46 PRO HA H 46 3.992 3.992 4.276 -0.284 19635 1185 1 3 . 1 1 46 46 PRO C C 46 177.160 177.160 177.682 -0.522 19635 1186 1 3 . 1 1 46 46 PRO CA C 46 65.036 65.036 63.557 1.479 19635 1187 1 3 . 1 1 46 46 PRO CB C 46 29.032 29.032 32.355 -3.322 19635 1188 1 3 . 1 1 47 47 GLY N N 47 111.431 111.431 110.648 0.783 19635 1189 1 3 . 1 1 47 47 GLY C C 47 173.827 173.827 173.830 -0.003 19635 1190 1 3 . 1 1 47 47 GLY CA C 47 44.685 44.685 45.056 -0.371 19635 1191 1 3 . 1 1 47 47 GLY H H 47 9.411 9.411 8.937 0.474 19635 1192 1 3 . 1 1 48 48 GLN N N 48 117.897 117.897 119.077 -1.180 19635 1193 1 3 . 1 1 48 48 GLN HA H 48 4.507 4.507 4.620 -0.113 19635 1194 1 3 . 1 1 48 48 GLN C C 48 174.525 174.525 174.142 0.383 19635 1195 1 3 . 1 1 48 48 GLN CA C 48 54.695 54.695 53.992 0.703 19635 1196 1 3 . 1 1 48 48 GLN CB C 48 31.034 31.034 32.181 -1.147 19635 1197 1 3 . 1 1 48 48 GLN H H 48 7.871 7.871 7.408 0.463 19635 1198 1 3 . 1 1 49 49 GLU N N 49 120.443 120.443 121.165 -0.722 19635 1199 1 3 . 1 1 49 49 GLU HA H 49 4.815 4.815 4.701 0.114 19635 1200 1 3 . 1 1 49 49 GLU C C 49 175.672 175.672 175.954 -0.282 19635 1201 1 3 . 1 1 49 49 GLU CA C 49 55.423 55.423 55.666 -0.243 19635 1202 1 3 . 1 1 49 49 GLU CB C 49 30.224 30.224 30.422 -0.199 19635 1203 1 3 . 1 1 49 49 GLU H H 49 8.369 8.369 8.561 -0.192 19635 1204 1 3 . 1 1 50 50 LEU N N 50 125.608 125.608 126.120 -0.512 19635 1205 1 3 . 1 1 50 50 LEU HA H 50 5.010 5.010 4.694 0.316 19635 1206 1 3 . 1 1 50 50 LEU C C 50 176.338 176.338 176.565 -0.227 19635 1207 1 3 . 1 1 50 50 LEU CA C 50 53.232 53.232 52.190 1.042 19635 1208 1 3 . 1 1 50 50 LEU CB C 50 45.413 45.413 42.480 2.933 19635 1209 1 3 . 1 1 50 50 LEU H H 50 8.663 8.663 8.562 0.101 19635 1210 1 3 . 1 1 51 51 ASN N N 51 118.769 118.769 121.117 -2.348 19635 1211 1 3 . 1 1 51 51 ASN HA H 51 5.183 5.183 4.636 0.547 19635 1212 1 3 . 1 1 51 51 ASN C C 51 176.013 176.013 176.354 -0.341 19635 1213 1 3 . 1 1 51 51 ASN CA C 51 50.600 50.600 52.459 -1.859 19635 1214 1 3 . 1 1 51 51 ASN CB C 51 39.407 39.407 39.041 0.366 19635 1215 1 3 . 1 1 51 51 ASN H H 51 8.897 8.897 8.744 0.153 19635 1216 1 3 . 1 1 52 52 LEU N N 52 118.818 118.818 119.872 -1.054 19635 1217 1 3 . 1 1 52 52 LEU HA H 52 4.041 4.041 4.074 -0.033 19635 1218 1 3 . 1 1 52 52 LEU C C 52 179.036 179.036 178.893 0.143 19635 1219 1 3 . 1 1 52 52 LEU CA C 52 58.609 58.609 58.435 0.174 19635 1220 1 3 . 1 1 52 52 LEU CB C 52 41.773 41.773 40.665 1.108 19635 1221 1 3 . 1 1 52 52 LEU H H 52 8.585 8.585 8.310 0.275 19635 1222 1 3 . 1 1 53 53 SER N N 53 115.007 115.007 114.549 0.458 19635 1223 1 3 . 1 1 53 53 SER HA H 53 4.358 4.358 4.122 0.236 19635 1224 1 3 . 1 1 53 53 SER C C 53 178.307 178.307 176.862 1.445 19635 1225 1 3 . 1 1 53 53 SER CA C 53 62.270 62.270 62.373 -0.103 19635 1226 1 3 . 1 1 53 53 SER CB C 53 62.340 62.340 62.582 -0.242 19635 1227 1 3 . 1 1 53 53 SER H H 53 8.385 8.385 8.235 0.150 19635 1228 1 3 . 1 1 54 54 GLN N N 54 122.316 122.316 121.347 0.969 19635 1229 1 3 . 1 1 54 54 GLN HA H 54 4.219 4.219 4.117 0.102 19635 1230 1 3 . 1 1 54 54 GLN C C 54 179.361 179.361 178.689 0.672 19635 1231 1 3 . 1 1 54 54 GLN CA C 54 58.618 58.618 58.721 -0.103 19635 1232 1 3 . 1 1 54 54 GLN CB C 54 29.942 29.942 28.816 1.126 19635 1233 1 3 . 1 1 54 54 GLN H H 54 8.478 8.478 8.216 0.262 19635 1234 1 3 . 1 1 55 55 LEU N N 55 122.348 122.348 121.103 1.245 19635 1235 1 3 . 1 1 55 55 LEU HA H 55 4.209 4.209 4.002 0.207 19635 1236 1 3 . 1 1 55 55 LEU C C 55 178.989 178.989 179.183 -0.194 19635 1237 1 3 . 1 1 55 55 LEU CA C 55 57.972 57.972 58.098 -0.126 19635 1238 1 3 . 1 1 55 55 LEU CB C 55 41.910 41.910 41.551 0.359 19635 1239 1 3 . 1 1 55 55 LEU H H 55 8.354 8.354 8.512 -0.158 19635 1240 1 3 . 1 1 56 56 HIS N N 56 119.481 119.481 117.040 2.441 19635 1241 1 3 . 1 1 56 56 HIS HA H 56 4.358 4.358 4.410 -0.052 19635 1242 1 3 . 1 1 56 56 HIS C C 56 179.671 179.671 177.493 2.178 19635 1243 1 3 . 1 1 56 56 HIS CA C 56 60.757 60.757 59.822 0.935 19635 1244 1 3 . 1 1 56 56 HIS CB C 56 30.670 30.670 29.994 0.676 19635 1245 1 3 . 1 1 56 56 HIS H H 56 8.592 8.592 8.550 0.042 19635 1246 1 3 . 1 1 57 57 ALA N N 57 122.582 122.582 121.556 1.026 19635 1247 1 3 . 1 1 57 57 ALA HA H 57 4.289 4.289 4.113 0.176 19635 1248 1 3 . 1 1 57 57 ALA C C 57 179.919 179.919 179.173 0.746 19635 1249 1 3 . 1 1 57 57 ALA CA C 57 54.877 54.877 54.845 0.032 19635 1250 1 3 . 1 1 57 57 ALA CB C 57 17.716 17.716 18.087 -0.371 19635 1251 1 3 . 1 1 57 57 ALA H H 57 8.091 8.091 8.377 -0.286 19635 1252 1 3 . 1 1 58 58 ALA N N 58 122.641 122.641 121.195 1.446 19635 1253 1 3 . 1 1 58 58 ALA HA H 58 3.812 3.812 3.905 -0.093 19635 1254 1 3 . 1 1 58 58 ALA C C 58 178.570 178.570 178.991 -0.421 19635 1255 1 3 . 1 1 58 58 ALA CA C 58 55.149 55.149 54.869 0.280 19635 1256 1 3 . 1 1 58 58 ALA CB C 58 17.677 17.677 18.456 -0.779 19635 1257 1 3 . 1 1 58 58 ALA H H 58 7.835 7.835 7.805 0.030 19635 1258 1 3 . 1 1 59 59 ALA N N 59 117.349 117.349 120.120 -2.771 19635 1259 1 3 . 1 1 59 59 ALA HA H 59 3.802 3.802 4.071 -0.269 19635 1260 1 3 . 1 1 59 59 ALA C C 59 179.360 179.360 179.403 -0.043 19635 1261 1 3 . 1 1 59 59 ALA CA C 59 55.149 55.149 54.651 0.498 19635 1262 1 3 . 1 1 59 59 ALA CB C 59 17.509 17.509 18.329 -0.820 19635 1263 1 3 . 1 1 59 59 ALA H H 59 7.390 7.390 7.537 -0.147 19635 1264 1 3 . 1 1 60 60 ALA N N 60 119.393 119.393 121.573 -2.180 19635 1265 1 3 . 1 1 60 60 ALA HA H 60 4.279 4.279 4.046 0.233 19635 1266 1 3 . 1 1 60 60 ALA C C 60 179.315 179.315 179.540 -0.225 19635 1267 1 3 . 1 1 60 60 ALA CA C 60 54.644 54.644 54.900 -0.256 19635 1268 1 3 . 1 1 60 60 ALA CB C 60 17.625 17.625 18.383 -0.758 19635 1269 1 3 . 1 1 60 60 ALA H H 60 7.944 7.944 7.735 0.209 19635 1270 1 3 . 1 1 61 61 ARG N N 61 116.621 116.621 118.425 -1.804 19635 1271 1 3 . 1 1 61 61 ARG HA H 61 4.229 4.229 4.019 0.210 19635 1272 1 3 . 1 1 61 61 ARG C C 61 180.214 180.214 178.990 1.224 19635 1273 1 3 . 1 1 61 61 ARG CA C 61 59.519 59.519 59.535 -0.016 19635 1274 1 3 . 1 1 61 61 ARG CB C 61 31.216 31.216 30.080 1.136 19635 1275 1 3 . 1 1 61 61 ARG H H 61 7.739 7.739 7.657 0.082 19635 1276 1 3 . 1 1 62 62 ILE N N 62 117.642 117.642 118.539 -0.897 19635 1277 1 3 . 1 1 62 62 ILE HA H 62 3.742 3.742 3.993 -0.251 19635 1278 1 3 . 1 1 62 62 ILE C C 62 178.214 178.214 177.905 0.309 19635 1279 1 3 . 1 1 62 62 ILE CA C 62 63.705 63.705 63.999 -0.294 19635 1280 1 3 . 1 1 62 62 ILE CB C 62 36.221 36.221 37.625 -1.404 19635 1281 1 3 . 1 1 62 62 ILE H H 62 7.315 7.315 7.239 0.076 19635 1282 1 3 . 1 1 63 63 GLY N N 63 107.326 107.326 109.236 -1.910 19635 1283 1 3 . 1 1 63 63 GLY C C 63 176.152 176.152 175.836 0.316 19635 1284 1 3 . 1 1 63 63 GLY CA C 63 47.975 47.975 47.668 0.307 19635 1285 1 3 . 1 1 63 63 GLY H H 63 7.862 7.862 8.528 -0.666 19635 1286 1 3 . 1 1 64 64 ASP N N 64 121.729 121.729 123.047 -1.318 19635 1287 1 3 . 1 1 64 64 ASP HA H 64 4.447 4.447 4.771 -0.324 19635 1288 1 3 . 1 1 64 64 ASP C C 64 178.338 178.338 178.295 0.043 19635 1289 1 3 . 1 1 64 64 ASP CA C 64 57.516 57.516 57.641 -0.125 19635 1290 1 3 . 1 1 64 64 ASP CB C 64 40.135 40.135 40.990 -0.855 19635 1291 1 3 . 1 1 64 64 ASP H H 64 8.899 8.899 8.329 0.570 19635 1292 1 3 . 1 1 65 65 PHE N N 65 122.347 122.347 122.069 0.278 19635 1293 1 3 . 1 1 65 65 PHE HA H 65 4.259 4.259 4.056 0.203 19635 1294 1 3 . 1 1 65 65 PHE C C 65 176.989 176.989 177.010 -0.021 19635 1295 1 3 . 1 1 65 65 PHE CA C 65 61.357 61.357 61.792 -0.435 19635 1296 1 3 . 1 1 65 65 PHE CB C 65 39.589 39.589 39.123 0.466 19635 1297 1 3 . 1 1 65 65 PHE H H 65 7.662 7.662 7.760 -0.098 19635 1298 1 3 . 1 1 66 66 TYR N N 66 117.664 117.664 117.842 -0.178 19635 1299 1 3 . 1 1 66 66 TYR HA H 66 3.752 3.752 4.208 -0.456 19635 1300 1 3 . 1 1 66 66 TYR C C 66 179.253 179.253 178.376 0.877 19635 1301 1 3 . 1 1 66 66 TYR CA C 66 63.822 63.822 62.598 1.224 19635 1302 1 3 . 1 1 66 66 TYR CB C 66 38.532 38.532 38.304 0.228 19635 1303 1 3 . 1 1 66 66 TYR H H 66 8.105 8.105 8.408 -0.303 19635 1304 1 3 . 1 1 67 67 GLN N N 67 117.372 117.372 117.654 -0.282 19635 1305 1 3 . 1 1 67 67 GLN HA H 67 3.752 3.752 4.074 -0.322 19635 1306 1 3 . 1 1 67 67 GLN C C 67 180.322 180.322 178.853 1.469 19635 1307 1 3 . 1 1 67 67 GLN CA C 67 59.714 59.714 58.936 0.778 19635 1308 1 3 . 1 1 67 67 GLN CB C 67 27.759 27.759 28.391 -0.632 19635 1309 1 3 . 1 1 67 67 GLN H H 67 8.263 8.263 7.999 0.264 19635 1310 1 3 . 1 1 68 68 GLU N N 68 122.805 122.805 119.954 2.851 19635 1311 1 3 . 1 1 68 68 GLU HA H 68 4.130 4.130 4.047 0.083 19635 1312 1 3 . 1 1 68 68 GLU C C 68 178.400 178.400 177.338 1.062 19635 1313 1 3 . 1 1 68 68 GLU CA C 68 56.062 56.062 58.627 -2.565 19635 1314 1 3 . 1 1 68 68 GLU CB C 68 41.955 41.955 29.517 12.438 19635 1315 1 3 . 1 1 68 68 GLU H H 68 8.525 8.525 8.009 0.516 19635 1316 1 3 . 1 1 69 69 LYS N N 69 116.254 116.254 116.167 0.087 19635 1317 1 3 . 1 1 69 69 LYS HA H 69 4.223 4.223 4.096 0.127 19635 1318 1 3 . 1 1 69 69 LYS C C 69 176.090 176.090 176.250 -0.160 19635 1319 1 3 . 1 1 69 69 LYS CA C 69 54.692 54.692 55.378 -0.686 19635 1320 1 3 . 1 1 69 69 LYS CB C 69 31.685 31.685 31.897 -0.212 19635 1321 1 3 . 1 1 69 69 LYS H H 69 7.413 7.413 7.319 0.094 19635 1322 1 3 . 1 1 70 70 GLY N N 70 105.876 105.876 106.004 -0.128 19635 1323 1 3 . 1 1 70 70 GLY C C 70 174.602 174.602 174.693 -0.091 19635 1324 1 3 . 1 1 70 70 GLY CA C 70 45.197 45.197 44.900 0.297 19635 1325 1 3 . 1 1 70 70 GLY H H 70 7.770 7.770 7.662 0.108 19635 1326 1 3 . 1 1 71 71 TYR N N 71 124.341 124.341 121.592 2.749 19635 1327 1 3 . 1 1 71 71 TYR HA H 71 4.795 4.795 4.705 0.090 19635 1328 1 3 . 1 1 71 71 TYR C C 71 177.082 177.082 176.095 0.987 19635 1329 1 3 . 1 1 71 71 TYR CA C 71 57.431 57.431 56.600 0.831 19635 1330 1 3 . 1 1 71 71 TYR CB C 71 36.524 36.524 36.279 0.244 19635 1331 1 3 . 1 1 71 71 TYR H H 71 8.387 8.387 7.908 0.479 19635 1332 1 3 . 1 1 72 72 VAL N N 72 113.636 113.636 122.671 -9.035 19635 1333 1 3 . 1 1 72 72 VAL HA H 72 4.010 4.010 3.936 0.074 19635 1334 1 3 . 1 1 72 72 VAL C C 72 176.989 176.989 177.030 -0.041 19635 1335 1 3 . 1 1 72 72 VAL CA C 72 64.251 64.251 64.865 -0.614 19635 1336 1 3 . 1 1 72 72 VAL CB C 72 31.440 31.440 31.532 -0.092 19635 1337 1 3 . 1 1 72 72 VAL H H 72 7.239 7.239 8.085 -0.846 19635 1338 1 3 . 1 1 73 73 LEU N N 73 120.170 120.170 118.137 2.033 19635 1339 1 3 . 1 1 73 73 LEU HA H 73 4.487 4.487 4.399 0.088 19635 1340 1 3 . 1 1 73 73 LEU C C 73 176.927 176.927 176.258 0.669 19635 1341 1 3 . 1 1 73 73 LEU CA C 73 54.474 54.474 54.663 -0.189 19635 1342 1 3 . 1 1 73 73 LEU CB C 73 41.819 41.819 41.258 0.561 19635 1343 1 3 . 1 1 73 73 LEU H H 73 8.765 8.765 8.008 0.757 19635 1344 1 3 . 1 1 74 74 ALA N N 74 122.084 122.084 121.470 0.614 19635 1345 1 3 . 1 1 74 74 ALA HA H 74 4.537 4.537 5.188 -0.651 19635 1346 1 3 . 1 1 74 74 ALA C C 74 177.516 177.516 176.273 1.243 19635 1347 1 3 . 1 1 74 74 ALA CA C 74 52.329 52.329 51.059 1.270 19635 1348 1 3 . 1 1 74 74 ALA CB C 74 21.065 21.065 21.271 -0.206 19635 1349 1 3 . 1 1 74 74 ALA H H 74 7.322 7.322 7.344 -0.022 19635 1350 1 3 . 1 1 75 75 ARG N N 75 118.061 118.061 120.551 -2.490 19635 1351 1 3 . 1 1 75 75 ARG HA H 75 4.606 4.606 4.633 -0.027 19635 1352 1 3 . 1 1 75 75 ARG C C 75 173.036 173.036 173.987 -0.951 19635 1353 1 3 . 1 1 75 75 ARG CA C 75 54.604 54.604 55.412 -0.808 19635 1354 1 3 . 1 1 75 75 ARG CB C 75 34.037 34.037 34.319 -0.282 19635 1355 1 3 . 1 1 75 75 ARG H H 75 8.521 8.521 8.867 -0.346 19635 1356 1 3 . 1 1 76 76 ALA N N 76 122.847 122.847 127.564 -4.717 19635 1357 1 3 . 1 1 76 76 ALA HA H 76 5.533 5.533 5.220 0.313 19635 1358 1 3 . 1 1 76 76 ALA C C 76 176.028 176.028 175.993 0.035 19635 1359 1 3 . 1 1 76 76 ALA CA C 76 50.219 50.219 50.640 -0.421 19635 1360 1 3 . 1 1 76 76 ALA CB C 76 22.464 22.464 20.740 1.724 19635 1361 1 3 . 1 1 76 76 ALA H H 76 8.553 8.553 8.640 -0.087 19635 1362 1 3 . 1 1 77 77 PHE N N 77 117.410 117.410 118.372 -0.962 19635 1363 1 3 . 1 1 77 77 PHE HA H 77 4.922 4.922 5.064 -0.142 19635 1364 1 3 . 1 1 77 77 PHE C C 77 172.091 172.091 173.022 -0.931 19635 1365 1 3 . 1 1 77 77 PHE CA C 77 55.697 55.697 55.697 0.000 19635 1366 1 3 . 1 1 77 77 PHE CB C 77 41.637 41.637 42.093 -0.455 19635 1367 1 3 . 1 1 77 77 PHE H H 77 9.079 9.079 8.855 0.224 19635 1368 1 3 . 1 1 78 78 LEU N N 78 123.541 123.541 123.252 0.289 19635 1369 1 3 . 1 1 78 78 LEU HA H 78 5.023 5.023 4.885 0.138 19635 1370 1 3 . 1 1 78 78 LEU C C 78 174.494 174.494 175.278 -0.784 19635 1371 1 3 . 1 1 78 78 LEU CA C 78 51.328 51.328 50.908 0.420 19635 1372 1 3 . 1 1 78 78 LEU CB C 78 42.774 42.774 44.806 -2.032 19635 1373 1 3 . 1 1 78 78 LEU H H 78 9.031 9.031 9.044 -0.013 19635 1374 1 3 . 1 1 79 79 PRO HA H 79 4.661 4.661 4.670 -0.009 19635 1375 1 3 . 1 1 79 79 PRO C C 79 176.239 176.239 175.934 0.305 19635 1376 1 3 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.456 -0.389 19635 1377 1 3 . 1 1 79 79 PRO CB C 79 32.672 32.672 30.633 2.039 19635 1378 1 3 . 1 1 80 80 ALA N N 80 124.122 124.122 127.533 -3.411 19635 1379 1 3 . 1 1 80 80 ALA HA H 80 4.379 4.379 4.256 0.123 19635 1380 1 3 . 1 1 80 80 ALA C C 80 177.807 177.807 177.071 0.736 19635 1381 1 3 . 1 1 80 80 ALA CA C 80 53.291 53.291 52.176 1.115 19635 1382 1 3 . 1 1 80 80 ALA CB C 80 17.692 17.692 18.031 -0.339 19635 1383 1 3 . 1 1 80 80 ALA H H 80 8.488 8.488 8.143 0.345 19635 1384 1 3 . 1 1 81 81 GLN N N 81 118.018 118.018 120.766 -2.748 19635 1385 1 3 . 1 1 81 81 GLN HA H 81 5.234 5.234 4.501 0.733 19635 1386 1 3 . 1 1 81 81 GLN C C 81 173.284 173.284 176.795 -3.511 19635 1387 1 3 . 1 1 81 81 GLN CA C 81 55.332 55.332 55.990 -0.659 19635 1388 1 3 . 1 1 81 81 GLN CB C 81 31.580 31.580 29.808 1.772 19635 1389 1 3 . 1 1 81 81 GLN H H 81 8.157 8.157 8.178 -0.021 19635 1390 1 3 . 1 1 83 83 ILE HA H 83 4.121 4.121 4.130 -0.010 19635 1391 1 3 . 1 1 83 83 ILE C C 83 175.873 175.873 175.947 -0.074 19635 1392 1 3 . 1 1 83 83 ILE CA C 83 62.249 62.249 61.098 1.151 19635 1393 1 3 . 1 1 83 83 ILE CB C 83 37.495 37.495 38.125 -0.630 19635 1394 1 3 . 1 1 84 84 GLN N N 84 126.522 126.522 127.528 -1.006 19635 1395 1 3 . 1 1 84 84 GLN HA H 84 4.111 4.111 4.240 -0.129 19635 1396 1 3 . 1 1 84 84 GLN C C 84 176.028 176.028 175.249 0.779 19635 1397 1 3 . 1 1 84 84 GLN CA C 84 61.521 61.521 54.950 6.571 19635 1398 1 3 . 1 1 84 84 GLN CB C 84 37.464 37.464 29.070 8.394 19635 1399 1 3 . 1 1 84 84 GLN H H 84 8.679 8.679 8.518 0.161 19635 1400 1 3 . 1 1 85 85 ASP HA H 85 4.488 4.488 4.453 0.035 19635 1401 1 3 . 1 1 85 85 ASP C C 85 176.709 176.709 177.176 -0.467 19635 1402 1 3 . 1 1 85 85 ASP CA C 85 54.513 54.513 54.368 0.145 19635 1403 1 3 . 1 1 85 85 ASP CB C 85 40.643 40.643 41.621 -0.978 19635 1404 1 3 . 1 1 86 86 GLY N N 86 104.397 104.397 110.724 -6.327 19635 1405 1 3 . 1 1 86 86 GLY C C 86 174.308 174.308 174.643 -0.335 19635 1406 1 3 . 1 1 86 86 GLY CA C 86 46.323 46.323 45.521 0.802 19635 1407 1 3 . 1 1 86 86 GLY H H 86 8.310 8.310 8.678 -0.368 19635 1408 1 3 . 1 1 87 87 THR N N 87 119.045 119.045 121.773 -2.728 19635 1409 1 3 . 1 1 87 87 THR HA H 87 4.670 4.670 4.597 0.073 19635 1410 1 3 . 1 1 87 87 THR C C 87 172.943 172.943 174.717 -1.774 19635 1411 1 3 . 1 1 87 87 THR CA C 87 61.905 61.905 64.047 -2.142 19635 1412 1 3 . 1 1 87 87 THR CB C 87 68.779 68.779 69.050 -0.271 19635 1413 1 3 . 1 1 87 87 THR H H 87 7.877 7.877 7.910 -0.033 19635 1414 1 3 . 1 1 88 88 VAL N N 88 127.859 127.859 122.018 5.841 19635 1415 1 3 . 1 1 88 88 VAL HA H 88 4.110 4.110 4.353 -0.243 19635 1416 1 3 . 1 1 88 88 VAL C C 88 174.463 174.463 174.486 -0.023 19635 1417 1 3 . 1 1 88 88 VAL CA C 88 61.157 61.157 59.359 1.798 19635 1418 1 3 . 1 1 88 88 VAL CB C 88 33.237 33.237 33.647 -0.410 19635 1419 1 3 . 1 1 88 88 VAL H H 88 8.241 8.241 8.437 -0.196 19635 1420 1 3 . 1 1 89 89 ARG N N 89 129.825 129.825 126.782 3.043 19635 1421 1 3 . 1 1 89 89 ARG HA H 89 5.234 5.234 5.294 -0.060 19635 1422 1 3 . 1 1 89 89 ARG C C 89 175.470 175.470 175.483 -0.013 19635 1423 1 3 . 1 1 89 89 ARG CA C 89 55.357 55.357 54.965 0.392 19635 1424 1 3 . 1 1 89 89 ARG CB C 89 31.594 31.594 32.104 -0.510 19635 1425 1 3 . 1 1 89 89 ARG H H 89 9.541 9.541 8.565 0.976 19635 1426 1 3 . 1 1 90 90 ILE N N 90 123.428 123.428 126.953 -3.525 19635 1427 1 3 . 1 1 90 90 ILE HA H 90 4.299 4.299 4.373 -0.074 19635 1428 1 3 . 1 1 90 90 ILE C C 90 174.106 174.106 174.402 -0.296 19635 1429 1 3 . 1 1 90 90 ILE CA C 90 60.444 60.444 60.294 0.150 19635 1430 1 3 . 1 1 90 90 ILE CB C 90 41.390 41.390 40.741 0.649 19635 1431 1 3 . 1 1 90 90 ILE H H 90 8.641 8.641 9.177 -0.536 19635 1432 1 3 . 1 1 91 91 GLU N N 91 126.760 126.760 126.863 -0.103 19635 1433 1 3 . 1 1 91 91 GLU HA H 91 4.903 4.903 4.955 -0.052 19635 1434 1 3 . 1 1 91 91 GLU C C 91 174.246 174.246 175.733 -1.487 19635 1435 1 3 . 1 1 91 91 GLU CA C 91 54.422 54.422 54.692 -0.270 19635 1436 1 3 . 1 1 91 91 GLU CB C 91 32.035 32.035 30.865 1.170 19635 1437 1 3 . 1 1 91 91 GLU H H 91 8.388 8.388 8.783 -0.395 19635 1438 1 3 . 1 1 92 92 VAL N N 92 122.222 122.222 125.466 -3.244 19635 1439 1 3 . 1 1 92 92 VAL HA H 92 4.385 4.385 3.977 0.408 19635 1440 1 3 . 1 1 92 92 VAL C C 92 174.835 174.835 174.683 0.152 19635 1441 1 3 . 1 1 92 92 VAL CA C 92 61.066 61.066 61.612 -0.546 19635 1442 1 3 . 1 1 92 92 VAL CB C 92 33.946 33.946 32.052 1.894 19635 1443 1 3 . 1 1 92 92 VAL H H 92 8.790 8.790 9.018 -0.228 19635 1444 1 3 . 1 1 93 93 LEU N N 93 128.617 128.617 130.669 -2.052 19635 1445 1 3 . 1 1 93 93 LEU HA H 93 4.812 4.812 4.575 0.237 19635 1446 1 3 . 1 1 93 93 LEU C C 93 176.540 176.540 176.274 0.266 19635 1447 1 3 . 1 1 93 93 LEU CA C 93 53.148 53.148 53.912 -0.764 19635 1448 1 3 . 1 1 93 93 LEU CB C 93 43.229 43.229 41.628 1.601 19635 1449 1 3 . 1 1 93 93 LEU H H 93 8.980 8.980 8.565 0.415 19635 1450 1 3 . 1 1 94 94 GLU N N 94 123.476 123.476 125.170 -1.694 19635 1451 1 3 . 1 1 94 94 GLU HA H 94 3.821 3.821 4.085 -0.264 19635 1452 1 3 . 1 1 94 94 GLU C C 94 175.408 175.408 176.012 -0.604 19635 1453 1 3 . 1 1 94 94 GLU CA C 94 57.797 57.797 57.532 0.265 19635 1454 1 3 . 1 1 94 94 GLU CB C 94 29.676 29.676 30.150 -0.474 19635 1455 1 3 . 1 1 94 94 GLU H H 94 8.930 8.930 8.074 0.856 19635 1456 1 4 . 1 1 8 8 HIS HA H 8 4.637 4.637 4.824 -0.187 19635 1457 1 4 . 1 1 8 8 HIS C C 8 174.897 174.897 174.843 0.054 19635 1458 1 4 . 1 1 8 8 HIS CA C 8 56.534 56.534 56.658 -0.124 19635 1459 1 4 . 1 1 8 8 HIS CB C 8 31.030 31.030 30.388 0.642 19635 1460 1 4 . 1 1 9 9 VAL N N 9 121.834 121.834 124.635 -2.801 19635 1461 1 4 . 1 1 9 9 VAL HA H 9 4.111 4.111 4.237 -0.126 19635 1462 1 4 . 1 1 9 9 VAL C C 9 175.486 175.486 175.574 -0.088 19635 1463 1 4 . 1 1 9 9 VAL CA C 9 62.115 62.115 63.464 -1.349 19635 1464 1 4 . 1 1 9 9 VAL CB C 9 33.036 33.036 33.945 -0.909 19635 1465 1 4 . 1 1 9 9 VAL H H 9 7.998 7.998 9.414 -1.416 19635 1466 1 4 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.637 -0.054 19635 1467 1 4 . 1 1 10 10 ASP CA C 10 54.510 54.510 54.977 -0.467 19635 1468 1 4 . 1 1 10 10 ASP CB C 10 41.545 41.545 42.463 -0.918 19635 1469 1 4 . 1 1 11 11 ASP HA H 11 4.583 4.583 4.779 -0.196 19635 1470 1 4 . 1 1 11 11 ASP C C 11 176.012 176.012 175.437 0.575 19635 1471 1 4 . 1 1 11 11 ASP CA C 11 54.692 54.692 53.140 1.552 19635 1472 1 4 . 1 1 11 11 ASP CB C 11 41.545 41.545 41.455 0.090 19635 1473 1 4 . 1 1 12 12 ASP N N 12 120.751 120.751 119.556 1.195 19635 1474 1 4 . 1 1 12 12 ASP HA H 12 4.581 4.581 4.536 0.045 19635 1475 1 4 . 1 1 12 12 ASP C C 12 176.385 176.385 177.228 -0.843 19635 1476 1 4 . 1 1 12 12 ASP CA C 12 54.695 54.695 55.942 -1.247 19635 1477 1 4 . 1 1 12 12 ASP CB C 12 41.363 41.363 41.778 -0.415 19635 1478 1 4 . 1 1 12 12 ASP H H 12 8.249 8.249 7.850 0.399 19635 1479 1 4 . 1 1 13 13 ASP N N 13 120.536 120.536 121.552 -1.016 19635 1480 1 4 . 1 1 13 13 ASP HA H 13 4.576 4.576 4.649 -0.073 19635 1481 1 4 . 1 1 13 13 ASP C C 13 176.818 176.818 174.993 1.825 19635 1482 1 4 . 1 1 13 13 ASP CA C 13 54.877 54.877 55.004 -0.127 19635 1483 1 4 . 1 1 13 13 ASP CB C 13 41.318 41.318 39.889 1.429 19635 1484 1 4 . 1 1 13 13 ASP H H 13 8.291 8.291 8.000 0.291 19635 1485 1 4 . 1 1 14 14 LYS N N 14 120.496 120.496 120.446 0.050 19635 1486 1 4 . 1 1 14 14 LYS HA H 14 4.303 4.303 4.335 -0.032 19635 1487 1 4 . 1 1 14 14 LYS C C 14 177.190 177.190 176.005 1.185 19635 1488 1 4 . 1 1 14 14 LYS CA C 14 56.788 56.788 56.703 0.085 19635 1489 1 4 . 1 1 14 14 LYS CB C 14 32.399 32.399 34.225 -1.826 19635 1490 1 4 . 1 1 14 14 LYS H H 14 8.181 8.181 8.036 0.145 19635 1491 1 4 . 1 1 15 15 MET N N 15 119.518 119.518 117.500 2.018 19635 1492 1 4 . 1 1 15 15 MET HA H 15 4.546 4.546 4.174 0.372 19635 1493 1 4 . 1 1 15 15 MET C C 15 176.881 176.881 175.729 1.152 19635 1494 1 4 . 1 1 15 15 MET CA C 15 55.696 55.696 55.624 0.072 19635 1495 1 4 . 1 1 15 15 MET CB C 15 32.490 32.490 31.639 0.851 19635 1496 1 4 . 1 1 15 15 MET H H 15 8.276 8.276 8.589 -0.313 19635 1497 1 4 . 1 1 16 16 GLY N N 16 109.506 109.506 108.878 0.628 19635 1498 1 4 . 1 1 16 16 GLY C C 16 174.432 174.432 173.778 0.654 19635 1499 1 4 . 1 1 16 16 GLY CA C 16 45.498 45.498 44.521 0.977 19635 1500 1 4 . 1 1 16 16 GLY H H 16 8.373 8.373 8.326 0.047 19635 1501 1 4 . 1 1 17 17 GLY N N 17 108.711 108.711 111.993 -3.282 19635 1502 1 4 . 1 1 17 17 GLY C C 17 171.409 171.409 172.921 -1.512 19635 1503 1 4 . 1 1 17 17 GLY CA C 17 44.685 44.685 42.882 1.803 19635 1504 1 4 . 1 1 17 17 GLY H H 17 8.116 8.116 8.333 -0.217 19635 1505 1 4 . 1 1 18 18 PRO HA H 18 4.744 4.744 4.230 0.514 19635 1506 1 4 . 1 1 18 18 PRO C C 18 176.462 176.462 177.427 -0.965 19635 1507 1 4 . 1 1 18 18 PRO CA C 18 62.795 62.795 62.744 0.051 19635 1508 1 4 . 1 1 18 18 PRO CB C 18 35.220 35.220 32.299 2.921 19635 1509 1 4 . 1 1 19 19 THR N N 19 111.524 111.524 112.226 -0.702 19635 1510 1 4 . 1 1 19 19 THR HA H 19 4.744 4.744 4.288 0.456 19635 1511 1 4 . 1 1 19 19 THR C C 19 173.827 173.827 174.729 -0.902 19635 1512 1 4 . 1 1 19 19 THR CA C 19 59.988 59.988 61.888 -1.900 19635 1513 1 4 . 1 1 19 19 THR CB C 19 71.622 71.622 69.224 2.398 19635 1514 1 4 . 1 1 19 19 THR H H 19 8.229 8.229 8.723 -0.494 19635 1515 1 4 . 1 1 20 20 VAL N N 20 119.259 119.259 125.021 -5.762 19635 1516 1 4 . 1 1 20 20 VAL HA H 20 4.378 4.378 4.034 0.344 19635 1517 1 4 . 1 1 20 20 VAL C C 20 173.718 173.718 175.027 -1.309 19635 1518 1 4 . 1 1 20 20 VAL CA C 20 59.714 59.714 61.229 -1.515 19635 1519 1 4 . 1 1 20 20 VAL CB C 20 35.482 35.482 33.410 2.071 19635 1520 1 4 . 1 1 20 20 VAL H H 20 8.740 8.740 8.849 -0.109 19635 1521 1 4 . 1 1 21 21 LEU N N 21 127.557 127.557 131.351 -3.794 19635 1522 1 4 . 1 1 21 21 LEU HA H 21 4.427 4.427 4.642 -0.215 19635 1523 1 4 . 1 1 21 21 LEU C C 21 175.362 175.362 175.662 -0.300 19635 1524 1 4 . 1 1 21 21 LEU CA C 21 54.604 54.604 54.436 0.168 19635 1525 1 4 . 1 1 21 21 LEU CB C 21 40.720 40.720 41.683 -0.963 19635 1526 1 4 . 1 1 21 21 LEU H H 21 8.229 8.229 8.845 -0.616 19635 1527 1 4 . 1 1 22 22 VAL N N 22 128.501 128.501 128.267 0.234 19635 1528 1 4 . 1 1 22 22 VAL HA H 22 3.648 3.648 3.853 -0.205 19635 1529 1 4 . 1 1 22 22 VAL C C 22 175.346 175.346 176.040 -0.694 19635 1530 1 4 . 1 1 22 22 VAL CA C 22 63.146 63.146 63.705 -0.559 19635 1531 1 4 . 1 1 22 22 VAL CB C 22 32.151 32.151 30.958 1.193 19635 1532 1 4 . 1 1 22 22 VAL H H 22 8.132 8.132 8.123 0.009 19635 1533 1 4 . 1 1 23 23 LYS N N 23 127.302 127.302 129.621 -2.319 19635 1534 1 4 . 1 1 23 23 LYS HA H 23 4.420 4.420 4.351 0.069 19635 1535 1 4 . 1 1 23 23 LYS C C 23 176.385 176.385 176.187 0.198 19635 1536 1 4 . 1 1 23 23 LYS CA C 23 56.975 56.975 57.499 -0.525 19635 1537 1 4 . 1 1 23 23 LYS CB C 23 34.150 34.150 33.543 0.607 19635 1538 1 4 . 1 1 23 23 LYS H H 23 9.694 9.694 9.089 0.605 19635 1539 1 4 . 1 1 24 24 ARG N N 24 114.443 114.443 116.187 -1.744 19635 1540 1 4 . 1 1 24 24 ARG HA H 24 4.468 4.468 4.583 -0.115 19635 1541 1 4 . 1 1 24 24 ARG C C 24 172.401 172.401 173.780 -1.379 19635 1542 1 4 . 1 1 24 24 ARG CA C 24 54.596 54.596 55.494 -0.898 19635 1543 1 4 . 1 1 24 24 ARG CB C 24 32.125 32.125 32.406 -0.280 19635 1544 1 4 . 1 1 24 24 ARG H H 24 7.735 7.735 7.535 0.200 19635 1545 1 4 . 1 1 25 25 PHE N N 25 117.669 117.669 118.938 -1.269 19635 1546 1 4 . 1 1 25 25 PHE HA H 25 5.561 5.561 5.315 0.246 19635 1547 1 4 . 1 1 25 25 PHE C C 25 174.618 174.618 175.637 -1.019 19635 1548 1 4 . 1 1 25 25 PHE CA C 25 56.333 56.333 56.861 -0.528 19635 1549 1 4 . 1 1 25 25 PHE CB C 25 42.319 42.319 40.783 1.536 19635 1550 1 4 . 1 1 25 25 PHE H H 25 8.550 8.550 8.637 -0.087 19635 1551 1 4 . 1 1 26 26 GLN N N 26 121.215 121.215 122.267 -1.052 19635 1552 1 4 . 1 1 26 26 GLN HA H 26 4.576 4.576 4.725 -0.149 19635 1553 1 4 . 1 1 26 26 GLN C C 26 173.904 173.904 174.296 -0.392 19635 1554 1 4 . 1 1 26 26 GLN CA C 26 54.695 54.695 54.602 0.093 19635 1555 1 4 . 1 1 26 26 GLN CB C 26 32.077 32.077 32.371 -0.294 19635 1556 1 4 . 1 1 26 26 GLN H H 26 8.926 8.926 9.309 -0.383 19635 1557 1 4 . 1 1 27 27 LEU N N 27 126.971 126.971 127.958 -0.987 19635 1558 1 4 . 1 1 27 27 LEU HA H 27 5.285 5.285 5.418 -0.133 19635 1559 1 4 . 1 1 27 27 LEU C C 27 177.098 177.098 176.579 0.519 19635 1560 1 4 . 1 1 27 27 LEU CA C 27 53.512 53.512 53.424 0.088 19635 1561 1 4 . 1 1 27 27 LEU CB C 27 44.048 44.048 42.979 1.069 19635 1562 1 4 . 1 1 27 27 LEU H H 27 8.906 8.906 9.139 -0.233 19635 1563 1 4 . 1 1 28 28 SER N N 28 114.562 114.562 116.749 -2.187 19635 1564 1 4 . 1 1 28 28 SER HA H 28 4.866 4.866 4.715 0.151 19635 1565 1 4 . 1 1 28 28 SER C C 28 173.811 173.811 174.429 -0.618 19635 1566 1 4 . 1 1 28 28 SER CA C 28 57.249 57.249 56.823 0.426 19635 1567 1 4 . 1 1 28 28 SER CB C 28 65.161 65.161 64.760 0.401 19635 1568 1 4 . 1 1 28 28 SER H H 28 8.114 8.114 8.830 -0.716 19635 1569 1 4 . 1 1 29 29 GLY N N 29 112.273 112.273 114.440 -2.167 19635 1570 1 4 . 1 1 29 29 GLY C C 29 173.548 173.548 173.460 0.088 19635 1571 1 4 . 1 1 29 29 GLY CA C 29 45.235 45.235 45.252 -0.017 19635 1572 1 4 . 1 1 29 29 GLY H H 29 8.714 8.714 8.902 -0.188 19635 1573 1 4 . 1 1 30 30 ASN N N 30 114.106 114.106 118.604 -4.498 19635 1574 1 4 . 1 1 30 30 ASN HA H 30 4.536 4.536 4.614 -0.078 19635 1575 1 4 . 1 1 30 30 ASN C C 30 174.804 174.804 174.497 0.307 19635 1576 1 4 . 1 1 30 30 ASN CA C 30 53.876 53.876 52.884 0.992 19635 1577 1 4 . 1 1 30 30 ASN CB C 30 37.495 37.495 37.782 -0.287 19635 1578 1 4 . 1 1 30 30 ASN H H 30 9.436 9.436 8.099 1.337 19635 1579 1 4 . 1 1 31 31 ARG N N 31 124.382 124.382 124.607 -0.225 19635 1580 1 4 . 1 1 31 31 ARG HA H 31 4.408 4.408 4.506 -0.098 19635 1581 1 4 . 1 1 31 31 ARG C C 31 177.656 177.656 177.663 -0.007 19635 1582 1 4 . 1 1 31 31 ARG CA C 31 57.066 57.066 57.096 -0.030 19635 1583 1 4 . 1 1 31 31 ARG CB C 31 32.689 32.689 31.604 1.085 19635 1584 1 4 . 1 1 31 31 ARG H H 31 9.427 9.427 9.429 -0.002 19635 1585 1 4 . 1 1 32 32 GLN N N 32 122.307 122.307 119.310 2.997 19635 1586 1 4 . 1 1 32 32 GLN HA H 32 3.804 3.804 3.984 -0.180 19635 1587 1 4 . 1 1 32 32 GLN C C 32 175.005 175.005 175.754 -0.749 19635 1588 1 4 . 1 1 32 32 GLN CA C 32 57.243 57.243 57.731 -0.488 19635 1589 1 4 . 1 1 32 32 GLN CB C 32 28.850 28.850 29.005 -0.155 19635 1590 1 4 . 1 1 32 32 GLN H H 32 10.333 10.333 8.972 1.361 19635 1591 1 4 . 1 1 33 33 PHE N N 33 110.633 110.633 118.084 -7.451 19635 1592 1 4 . 1 1 33 33 PHE HA H 33 4.815 4.815 4.683 0.132 19635 1593 1 4 . 1 1 33 33 PHE C C 33 174.215 174.215 174.766 -0.551 19635 1594 1 4 . 1 1 33 33 PHE CA C 33 55.514 55.514 56.596 -1.082 19635 1595 1 4 . 1 1 33 33 PHE CB C 33 43.006 43.006 41.629 1.377 19635 1596 1 4 . 1 1 33 33 PHE H H 33 6.698 6.698 7.604 -0.906 19635 1597 1 4 . 1 1 34 34 ASP N N 34 120.588 120.588 121.032 -0.444 19635 1598 1 4 . 1 1 34 34 ASP HA H 34 4.547 4.547 4.627 -0.080 19635 1599 1 4 . 1 1 34 34 ASP C C 34 175.253 175.253 176.464 -1.211 19635 1600 1 4 . 1 1 34 34 ASP CA C 34 52.684 52.684 53.289 -0.605 19635 1601 1 4 . 1 1 34 34 ASP CB C 34 42.276 42.276 42.832 -0.556 19635 1602 1 4 . 1 1 34 34 ASP H H 34 8.477 8.477 8.525 -0.048 19635 1603 1 4 . 1 1 35 35 ASP N N 35 118.353 118.353 120.752 -2.399 19635 1604 1 4 . 1 1 35 35 ASP HA H 35 4.022 4.022 4.269 -0.247 19635 1605 1 4 . 1 1 35 35 ASP C C 35 177.826 177.826 178.539 -0.713 19635 1606 1 4 . 1 1 35 35 ASP CA C 35 57.607 57.607 58.879 -1.272 19635 1607 1 4 . 1 1 35 35 ASP CB C 35 39.771 39.771 40.858 -1.087 19635 1608 1 4 . 1 1 35 35 ASP H H 35 8.507 8.507 8.805 -0.298 19635 1609 1 4 . 1 1 36 36 ARG N N 36 117.028 117.028 118.363 -1.335 19635 1610 1 4 . 1 1 36 36 ARG HA H 36 3.873 3.873 3.917 -0.044 19635 1611 1 4 . 1 1 36 36 ARG C C 36 179.206 179.206 178.553 0.653 19635 1612 1 4 . 1 1 36 36 ARG CA C 36 59.610 59.610 59.278 0.333 19635 1613 1 4 . 1 1 36 36 ARG CB C 36 29.422 29.422 30.150 -0.728 19635 1614 1 4 . 1 1 36 36 ARG H H 36 8.111 8.111 7.965 0.146 19635 1615 1 4 . 1 1 37 37 ARG N N 37 119.265 119.265 120.180 -0.915 19635 1616 1 4 . 1 1 37 37 ARG HA H 37 4.020 4.020 4.073 -0.053 19635 1617 1 4 . 1 1 37 37 ARG C C 37 177.950 177.950 178.226 -0.276 19635 1618 1 4 . 1 1 37 37 ARG CA C 37 57.698 57.698 58.480 -0.782 19635 1619 1 4 . 1 1 37 37 ARG CB C 37 30.124 30.124 29.679 0.445 19635 1620 1 4 . 1 1 37 37 ARG H H 37 7.826 7.826 8.022 -0.196 19635 1621 1 4 . 1 1 38 38 LEU N N 38 115.462 115.462 118.621 -3.159 19635 1622 1 4 . 1 1 38 38 LEU HA H 38 3.819 3.819 3.939 -0.120 19635 1623 1 4 . 1 1 38 38 LEU C C 38 179.067 179.067 179.351 -0.284 19635 1624 1 4 . 1 1 38 38 LEU CA C 38 56.333 56.333 56.221 0.112 19635 1625 1 4 . 1 1 38 38 LEU CB C 38 42.046 42.046 41.309 0.737 19635 1626 1 4 . 1 1 38 38 LEU H H 38 7.365 7.365 7.680 -0.315 19635 1627 1 4 . 1 1 39 39 LEU N N 39 117.922 117.922 121.526 -3.604 19635 1628 1 4 . 1 1 39 39 LEU HA H 39 3.823 3.823 3.808 0.015 19635 1629 1 4 . 1 1 39 39 LEU C C 39 181.051 181.051 178.987 2.064 19635 1630 1 4 . 1 1 39 39 LEU CA C 39 57.607 57.607 57.633 -0.026 19635 1631 1 4 . 1 1 39 39 LEU CB C 39 41.089 41.089 40.621 0.468 19635 1632 1 4 . 1 1 39 39 LEU H H 39 9.081 9.081 8.568 0.513 19635 1633 1 4 . 1 1 40 40 ALA N N 40 121.136 121.136 121.017 0.119 19635 1634 1 4 . 1 1 40 40 ALA HA H 40 4.077 4.077 4.031 0.046 19635 1635 1 4 . 1 1 40 40 ALA C C 40 180.059 180.059 179.851 0.208 19635 1636 1 4 . 1 1 40 40 ALA CA C 40 54.514 54.514 54.525 -0.011 19635 1637 1 4 . 1 1 40 40 ALA CB C 40 17.716 17.716 18.210 -0.495 19635 1638 1 4 . 1 1 40 40 ALA H H 40 7.266 7.266 7.601 -0.335 19635 1639 1 4 . 1 1 41 41 LEU N N 41 115.253 115.253 118.295 -3.042 19635 1640 1 4 . 1 1 41 41 LEU HA H 41 4.128 4.128 4.066 0.062 19635 1641 1 4 . 1 1 41 41 LEU C C 41 177.966 177.966 177.305 0.661 19635 1642 1 4 . 1 1 41 41 LEU CA C 41 55.971 55.971 57.268 -1.297 19635 1643 1 4 . 1 1 41 41 LEU CB C 41 42.093 42.093 42.161 -0.068 19635 1644 1 4 . 1 1 41 41 LEU H H 41 7.215 7.215 7.628 -0.413 19635 1645 1 4 . 1 1 42 42 LEU N N 42 116.365 116.365 115.495 0.870 19635 1646 1 4 . 1 1 42 42 LEU HA H 42 4.298 4.298 4.467 -0.169 19635 1647 1 4 . 1 1 42 42 LEU C C 42 177.842 177.842 177.557 0.285 19635 1648 1 4 . 1 1 42 42 LEU CA C 42 53.232 53.232 51.629 1.603 19635 1649 1 4 . 1 1 42 42 LEU CB C 42 41.955 41.955 38.497 3.458 19635 1650 1 4 . 1 1 42 42 LEU H H 42 7.392 7.392 7.727 -0.335 19635 1651 1 4 . 1 1 43 43 HIS N N 43 117.222 117.222 119.553 -2.331 19635 1652 1 4 . 1 1 43 43 HIS HA H 43 4.279 4.279 4.227 0.052 19635 1653 1 4 . 1 1 43 43 HIS C C 43 174.494 174.494 175.400 -0.906 19635 1654 1 4 . 1 1 43 43 HIS CA C 43 59.428 59.428 58.931 0.497 19635 1655 1 4 . 1 1 43 43 HIS CB C 43 31.216 31.216 29.394 1.822 19635 1656 1 4 . 1 1 43 43 HIS H H 43 7.012 7.012 7.561 -0.549 19635 1657 1 4 . 1 1 44 44 ASP N N 44 116.296 116.296 116.793 -0.497 19635 1658 1 4 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.416 -0.078 19635 1659 1 4 . 1 1 44 44 ASP C C 44 176.385 176.385 175.843 0.542 19635 1660 1 4 . 1 1 44 44 ASP CA C 44 53.785 53.785 53.798 -0.013 19635 1661 1 4 . 1 1 44 44 ASP CB C 44 38.989 38.989 40.471 -1.482 19635 1662 1 4 . 1 1 44 44 ASP H H 44 9.235 9.235 7.884 1.351 19635 1663 1 4 . 1 1 45 45 LEU N N 45 119.937 119.937 121.278 -1.341 19635 1664 1 4 . 1 1 45 45 LEU HA H 45 4.212 4.212 4.661 -0.449 19635 1665 1 4 . 1 1 45 45 LEU C C 45 173.563 173.563 175.689 -2.126 19635 1666 1 4 . 1 1 45 45 LEU CA C 45 57.881 57.881 56.343 1.538 19635 1667 1 4 . 1 1 45 45 LEU CB C 45 41.955 41.955 40.511 1.444 19635 1668 1 4 . 1 1 45 45 LEU H H 45 7.866 7.866 8.144 -0.278 19635 1669 1 4 . 1 1 46 46 PRO HA H 46 3.992 3.992 4.343 -0.351 19635 1670 1 4 . 1 1 46 46 PRO C C 46 177.160 177.160 177.635 -0.475 19635 1671 1 4 . 1 1 46 46 PRO CA C 46 65.036 65.036 63.193 1.843 19635 1672 1 4 . 1 1 46 46 PRO CB C 46 29.032 29.032 32.471 -3.439 19635 1673 1 4 . 1 1 47 47 GLY N N 47 111.431 111.431 110.243 1.188 19635 1674 1 4 . 1 1 47 47 GLY C C 47 173.827 173.827 174.196 -0.369 19635 1675 1 4 . 1 1 47 47 GLY CA C 47 44.685 44.685 44.962 -0.277 19635 1676 1 4 . 1 1 47 47 GLY H H 47 9.411 9.411 8.872 0.539 19635 1677 1 4 . 1 1 48 48 GLN N N 48 117.897 117.897 118.529 -0.632 19635 1678 1 4 . 1 1 48 48 GLN HA H 48 4.507 4.507 4.552 -0.045 19635 1679 1 4 . 1 1 48 48 GLN C C 48 174.525 174.525 174.175 0.350 19635 1680 1 4 . 1 1 48 48 GLN CA C 48 54.695 54.695 53.291 1.404 19635 1681 1 4 . 1 1 48 48 GLN CB C 48 31.034 31.034 32.285 -1.251 19635 1682 1 4 . 1 1 48 48 GLN H H 48 7.871 7.871 7.475 0.396 19635 1683 1 4 . 1 1 49 49 GLU N N 49 120.443 120.443 121.411 -0.968 19635 1684 1 4 . 1 1 49 49 GLU HA H 49 4.815 4.815 4.620 0.195 19635 1685 1 4 . 1 1 49 49 GLU C C 49 175.672 175.672 175.536 0.136 19635 1686 1 4 . 1 1 49 49 GLU CA C 49 55.423 55.423 55.849 -0.426 19635 1687 1 4 . 1 1 49 49 GLU CB C 49 30.224 30.224 30.269 -0.045 19635 1688 1 4 . 1 1 49 49 GLU H H 49 8.369 8.369 8.628 -0.259 19635 1689 1 4 . 1 1 50 50 LEU N N 50 125.608 125.608 126.604 -0.996 19635 1690 1 4 . 1 1 50 50 LEU HA H 50 5.010 5.010 4.630 0.380 19635 1691 1 4 . 1 1 50 50 LEU C C 50 176.338 176.338 176.510 -0.172 19635 1692 1 4 . 1 1 50 50 LEU CA C 50 53.232 53.232 52.112 1.120 19635 1693 1 4 . 1 1 50 50 LEU CB C 50 45.413 45.413 41.863 3.550 19635 1694 1 4 . 1 1 50 50 LEU H H 50 8.663 8.663 8.783 -0.120 19635 1695 1 4 . 1 1 51 51 ASN N N 51 118.769 118.769 122.685 -3.916 19635 1696 1 4 . 1 1 51 51 ASN HA H 51 5.183 5.183 4.573 0.610 19635 1697 1 4 . 1 1 51 51 ASN C C 51 176.013 176.013 176.301 -0.288 19635 1698 1 4 . 1 1 51 51 ASN CA C 51 50.600 50.600 52.190 -1.590 19635 1699 1 4 . 1 1 51 51 ASN CB C 51 39.407 39.407 39.154 0.253 19635 1700 1 4 . 1 1 51 51 ASN H H 51 8.897 8.897 8.775 0.122 19635 1701 1 4 . 1 1 52 52 LEU N N 52 118.818 118.818 120.277 -1.459 19635 1702 1 4 . 1 1 52 52 LEU HA H 52 4.041 4.041 3.995 0.046 19635 1703 1 4 . 1 1 52 52 LEU C C 52 179.036 179.036 178.759 0.277 19635 1704 1 4 . 1 1 52 52 LEU CA C 52 58.609 58.609 58.379 0.230 19635 1705 1 4 . 1 1 52 52 LEU CB C 52 41.773 41.773 40.619 1.154 19635 1706 1 4 . 1 1 52 52 LEU H H 52 8.585 8.585 8.558 0.027 19635 1707 1 4 . 1 1 53 53 SER N N 53 115.007 115.007 113.704 1.303 19635 1708 1 4 . 1 1 53 53 SER HA H 53 4.358 4.358 3.968 0.390 19635 1709 1 4 . 1 1 53 53 SER C C 53 178.307 178.307 177.004 1.303 19635 1710 1 4 . 1 1 53 53 SER CA C 53 62.270 62.270 61.790 0.480 19635 1711 1 4 . 1 1 53 53 SER CB C 53 62.340 62.340 62.673 -0.333 19635 1712 1 4 . 1 1 53 53 SER H H 53 8.385 8.385 8.487 -0.102 19635 1713 1 4 . 1 1 54 54 GLN N N 54 122.316 122.316 120.458 1.858 19635 1714 1 4 . 1 1 54 54 GLN HA H 54 4.219 4.219 4.035 0.184 19635 1715 1 4 . 1 1 54 54 GLN C C 54 179.361 179.361 178.610 0.751 19635 1716 1 4 . 1 1 54 54 GLN CA C 54 58.618 58.618 58.059 0.559 19635 1717 1 4 . 1 1 54 54 GLN CB C 54 29.942 29.942 28.682 1.260 19635 1718 1 4 . 1 1 54 54 GLN H H 54 8.478 8.478 7.795 0.683 19635 1719 1 4 . 1 1 55 55 LEU N N 55 122.348 122.348 120.276 2.072 19635 1720 1 4 . 1 1 55 55 LEU HA H 55 4.209 4.209 3.950 0.259 19635 1721 1 4 . 1 1 55 55 LEU C C 55 178.989 178.989 179.007 -0.018 19635 1722 1 4 . 1 1 55 55 LEU CA C 55 57.972 57.972 57.965 0.007 19635 1723 1 4 . 1 1 55 55 LEU CB C 55 41.910 41.910 41.914 -0.004 19635 1724 1 4 . 1 1 55 55 LEU H H 55 8.354 8.354 8.079 0.275 19635 1725 1 4 . 1 1 56 56 HIS N N 56 119.481 119.481 114.919 4.562 19635 1726 1 4 . 1 1 56 56 HIS HA H 56 4.358 4.358 4.474 -0.116 19635 1727 1 4 . 1 1 56 56 HIS C C 56 179.671 179.671 176.980 2.691 19635 1728 1 4 . 1 1 56 56 HIS CA C 56 60.757 60.757 58.044 2.712 19635 1729 1 4 . 1 1 56 56 HIS CB C 56 30.670 30.670 28.842 1.828 19635 1730 1 4 . 1 1 56 56 HIS H H 56 8.592 8.592 7.927 0.665 19635 1731 1 4 . 1 1 57 57 ALA N N 57 122.582 122.582 121.764 0.818 19635 1732 1 4 . 1 1 57 57 ALA HA H 57 4.289 4.289 4.031 0.258 19635 1733 1 4 . 1 1 57 57 ALA C C 57 179.919 179.919 179.128 0.791 19635 1734 1 4 . 1 1 57 57 ALA CA C 57 54.877 54.877 54.638 0.239 19635 1735 1 4 . 1 1 57 57 ALA CB C 57 17.716 17.716 17.851 -0.135 19635 1736 1 4 . 1 1 57 57 ALA H H 57 8.091 8.091 7.387 0.704 19635 1737 1 4 . 1 1 58 58 ALA N N 58 122.641 122.641 120.224 2.417 19635 1738 1 4 . 1 1 58 58 ALA HA H 58 3.812 3.812 3.964 -0.152 19635 1739 1 4 . 1 1 58 58 ALA C C 58 178.570 178.570 178.914 -0.344 19635 1740 1 4 . 1 1 58 58 ALA CA C 58 55.149 55.149 54.822 0.327 19635 1741 1 4 . 1 1 58 58 ALA CB C 58 17.677 17.677 18.514 -0.837 19635 1742 1 4 . 1 1 58 58 ALA H H 58 7.835 7.835 7.588 0.247 19635 1743 1 4 . 1 1 59 59 ALA N N 59 117.349 117.349 120.134 -2.785 19635 1744 1 4 . 1 1 59 59 ALA HA H 59 3.802 3.802 4.149 -0.347 19635 1745 1 4 . 1 1 59 59 ALA C C 59 179.360 179.360 179.157 0.203 19635 1746 1 4 . 1 1 59 59 ALA CA C 59 55.149 55.149 54.698 0.451 19635 1747 1 4 . 1 1 59 59 ALA CB C 59 17.509 17.509 18.281 -0.772 19635 1748 1 4 . 1 1 59 59 ALA H H 59 7.390 7.390 7.492 -0.102 19635 1749 1 4 . 1 1 60 60 ALA N N 60 119.393 119.393 120.452 -1.059 19635 1750 1 4 . 1 1 60 60 ALA HA H 60 4.279 4.279 4.144 0.135 19635 1751 1 4 . 1 1 60 60 ALA C C 60 179.315 179.315 179.691 -0.376 19635 1752 1 4 . 1 1 60 60 ALA CA C 60 54.644 54.644 54.784 -0.140 19635 1753 1 4 . 1 1 60 60 ALA CB C 60 17.625 17.625 18.468 -0.843 19635 1754 1 4 . 1 1 60 60 ALA H H 60 7.944 7.944 7.569 0.375 19635 1755 1 4 . 1 1 61 61 ARG N N 61 116.621 116.621 118.672 -2.051 19635 1756 1 4 . 1 1 61 61 ARG HA H 61 4.229 4.229 4.078 0.151 19635 1757 1 4 . 1 1 61 61 ARG C C 61 180.214 180.214 178.820 1.394 19635 1758 1 4 . 1 1 61 61 ARG CA C 61 59.519 59.519 59.411 0.108 19635 1759 1 4 . 1 1 61 61 ARG CB C 61 31.216 31.216 30.064 1.152 19635 1760 1 4 . 1 1 61 61 ARG H H 61 7.739 7.739 7.576 0.163 19635 1761 1 4 . 1 1 62 62 ILE N N 62 117.642 117.642 119.085 -1.443 19635 1762 1 4 . 1 1 62 62 ILE HA H 62 3.742 3.742 3.988 -0.246 19635 1763 1 4 . 1 1 62 62 ILE C C 62 178.214 178.214 177.603 0.611 19635 1764 1 4 . 1 1 62 62 ILE CA C 62 63.705 63.705 63.743 -0.038 19635 1765 1 4 . 1 1 62 62 ILE CB C 62 36.221 36.221 37.636 -1.415 19635 1766 1 4 . 1 1 62 62 ILE H H 62 7.315 7.315 7.315 0.000 19635 1767 1 4 . 1 1 63 63 GLY N N 63 107.326 107.326 108.895 -1.569 19635 1768 1 4 . 1 1 63 63 GLY C C 63 176.152 176.152 175.641 0.511 19635 1769 1 4 . 1 1 63 63 GLY CA C 63 47.975 47.975 47.611 0.364 19635 1770 1 4 . 1 1 63 63 GLY H H 63 7.862 7.862 8.611 -0.749 19635 1771 1 4 . 1 1 64 64 ASP N N 64 121.729 121.729 123.022 -1.293 19635 1772 1 4 . 1 1 64 64 ASP HA H 64 4.447 4.447 4.601 -0.154 19635 1773 1 4 . 1 1 64 64 ASP C C 64 178.338 178.338 177.909 0.429 19635 1774 1 4 . 1 1 64 64 ASP CA C 64 57.516 57.516 56.921 0.595 19635 1775 1 4 . 1 1 64 64 ASP CB C 64 40.135 40.135 40.986 -0.851 19635 1776 1 4 . 1 1 64 64 ASP H H 64 8.899 8.899 8.232 0.667 19635 1777 1 4 . 1 1 65 65 PHE N N 65 122.347 122.347 121.623 0.724 19635 1778 1 4 . 1 1 65 65 PHE HA H 65 4.259 4.259 4.035 0.224 19635 1779 1 4 . 1 1 65 65 PHE C C 65 176.989 176.989 177.351 -0.362 19635 1780 1 4 . 1 1 65 65 PHE CA C 65 61.357 61.357 61.633 -0.276 19635 1781 1 4 . 1 1 65 65 PHE CB C 65 39.589 39.589 39.030 0.559 19635 1782 1 4 . 1 1 65 65 PHE H H 65 7.662 7.662 7.924 -0.262 19635 1783 1 4 . 1 1 66 66 TYR N N 66 117.664 117.664 117.487 0.177 19635 1784 1 4 . 1 1 66 66 TYR HA H 66 3.752 3.752 4.221 -0.469 19635 1785 1 4 . 1 1 66 66 TYR C C 66 179.253 179.253 178.401 0.852 19635 1786 1 4 . 1 1 66 66 TYR CA C 66 63.822 63.822 62.414 1.408 19635 1787 1 4 . 1 1 66 66 TYR CB C 66 38.532 38.532 38.259 0.273 19635 1788 1 4 . 1 1 66 66 TYR H H 66 8.105 8.105 8.497 -0.392 19635 1789 1 4 . 1 1 67 67 GLN N N 67 117.372 117.372 117.858 -0.486 19635 1790 1 4 . 1 1 67 67 GLN HA H 67 3.752 3.752 4.097 -0.345 19635 1791 1 4 . 1 1 67 67 GLN C C 67 180.322 180.322 179.106 1.216 19635 1792 1 4 . 1 1 67 67 GLN CA C 67 59.714 59.714 59.158 0.556 19635 1793 1 4 . 1 1 67 67 GLN CB C 67 27.759 27.759 28.456 -0.697 19635 1794 1 4 . 1 1 67 67 GLN H H 67 8.263 8.263 8.053 0.210 19635 1795 1 4 . 1 1 68 68 GLU N N 68 122.805 122.805 118.462 4.343 19635 1796 1 4 . 1 1 68 68 GLU HA H 68 4.130 4.130 4.116 0.014 19635 1797 1 4 . 1 1 68 68 GLU C C 68 178.400 178.400 177.337 1.063 19635 1798 1 4 . 1 1 68 68 GLU CA C 68 56.062 56.062 58.115 -2.053 19635 1799 1 4 . 1 1 68 68 GLU CB C 68 41.955 41.955 29.152 12.803 19635 1800 1 4 . 1 1 68 68 GLU H H 68 8.525 8.525 8.135 0.390 19635 1801 1 4 . 1 1 69 69 LYS N N 69 116.254 116.254 117.119 -0.865 19635 1802 1 4 . 1 1 69 69 LYS HA H 69 4.223 4.223 4.177 0.046 19635 1803 1 4 . 1 1 69 69 LYS C C 69 176.090 176.090 176.386 -0.296 19635 1804 1 4 . 1 1 69 69 LYS CA C 69 54.692 54.692 55.127 -0.434 19635 1805 1 4 . 1 1 69 69 LYS CB C 69 31.685 31.685 31.832 -0.147 19635 1806 1 4 . 1 1 69 69 LYS H H 69 7.413 7.413 7.407 0.006 19635 1807 1 4 . 1 1 70 70 GLY N N 70 105.876 105.876 106.280 -0.404 19635 1808 1 4 . 1 1 70 70 GLY C C 70 174.602 174.602 174.785 -0.183 19635 1809 1 4 . 1 1 70 70 GLY CA C 70 45.197 45.197 45.029 0.168 19635 1810 1 4 . 1 1 70 70 GLY H H 70 7.770 7.770 7.800 -0.030 19635 1811 1 4 . 1 1 71 71 TYR N N 71 124.341 124.341 121.531 2.810 19635 1812 1 4 . 1 1 71 71 TYR HA H 71 4.795 4.795 4.688 0.107 19635 1813 1 4 . 1 1 71 71 TYR C C 71 177.082 177.082 176.182 0.900 19635 1814 1 4 . 1 1 71 71 TYR CA C 71 57.431 57.431 56.551 0.880 19635 1815 1 4 . 1 1 71 71 TYR CB C 71 36.524 36.524 36.234 0.290 19635 1816 1 4 . 1 1 71 71 TYR H H 71 8.387 8.387 7.875 0.512 19635 1817 1 4 . 1 1 72 72 VAL N N 72 113.636 113.636 122.624 -8.988 19635 1818 1 4 . 1 1 72 72 VAL HA H 72 4.010 4.010 3.896 0.114 19635 1819 1 4 . 1 1 72 72 VAL C C 72 176.989 176.989 176.740 0.249 19635 1820 1 4 . 1 1 72 72 VAL CA C 72 64.251 64.251 64.498 -0.247 19635 1821 1 4 . 1 1 72 72 VAL CB C 72 31.440 31.440 31.881 -0.441 19635 1822 1 4 . 1 1 72 72 VAL H H 72 7.239 7.239 7.754 -0.515 19635 1823 1 4 . 1 1 73 73 LEU N N 73 120.170 120.170 117.870 2.300 19635 1824 1 4 . 1 1 73 73 LEU HA H 73 4.487 4.487 4.374 0.113 19635 1825 1 4 . 1 1 73 73 LEU C C 73 176.927 176.927 176.236 0.691 19635 1826 1 4 . 1 1 73 73 LEU CA C 73 54.474 54.474 54.608 -0.134 19635 1827 1 4 . 1 1 73 73 LEU CB C 73 41.819 41.819 41.349 0.470 19635 1828 1 4 . 1 1 73 73 LEU H H 73 8.765 8.765 7.895 0.870 19635 1829 1 4 . 1 1 74 74 ALA N N 74 122.084 122.084 121.455 0.629 19635 1830 1 4 . 1 1 74 74 ALA HA H 74 4.537 4.537 4.902 -0.365 19635 1831 1 4 . 1 1 74 74 ALA C C 74 177.516 177.516 176.883 0.633 19635 1832 1 4 . 1 1 74 74 ALA CA C 74 52.329 52.329 51.407 0.921 19635 1833 1 4 . 1 1 74 74 ALA CB C 74 21.065 21.065 20.235 0.830 19635 1834 1 4 . 1 1 74 74 ALA H H 74 7.322 7.322 7.302 0.020 19635 1835 1 4 . 1 1 75 75 ARG N N 75 118.061 118.061 122.926 -4.865 19635 1836 1 4 . 1 1 75 75 ARG HA H 75 4.606 4.606 4.571 0.035 19635 1837 1 4 . 1 1 75 75 ARG C C 75 173.036 173.036 173.856 -0.820 19635 1838 1 4 . 1 1 75 75 ARG CA C 75 54.604 54.604 55.379 -0.775 19635 1839 1 4 . 1 1 75 75 ARG CB C 75 34.037 34.037 34.147 -0.110 19635 1840 1 4 . 1 1 75 75 ARG H H 75 8.521 8.521 8.851 -0.330 19635 1841 1 4 . 1 1 76 76 ALA N N 76 122.847 122.847 128.556 -5.709 19635 1842 1 4 . 1 1 76 76 ALA HA H 76 5.533 5.533 5.182 0.351 19635 1843 1 4 . 1 1 76 76 ALA C C 76 176.028 176.028 175.665 0.363 19635 1844 1 4 . 1 1 76 76 ALA CA C 76 50.219 50.219 50.599 -0.380 19635 1845 1 4 . 1 1 76 76 ALA CB C 76 22.464 22.464 20.838 1.626 19635 1846 1 4 . 1 1 76 76 ALA H H 76 8.553 8.553 8.682 -0.129 19635 1847 1 4 . 1 1 77 77 PHE N N 77 117.410 117.410 119.165 -1.755 19635 1848 1 4 . 1 1 77 77 PHE HA H 77 4.922 4.922 5.052 -0.130 19635 1849 1 4 . 1 1 77 77 PHE C C 77 172.091 172.091 173.367 -1.276 19635 1850 1 4 . 1 1 77 77 PHE CA C 77 55.697 55.697 55.532 0.165 19635 1851 1 4 . 1 1 77 77 PHE CB C 77 41.637 41.637 41.811 -0.174 19635 1852 1 4 . 1 1 77 77 PHE H H 77 9.079 9.079 8.575 0.504 19635 1853 1 4 . 1 1 78 78 LEU N N 78 123.541 123.541 123.418 0.123 19635 1854 1 4 . 1 1 78 78 LEU HA H 78 5.023 5.023 4.894 0.129 19635 1855 1 4 . 1 1 78 78 LEU C C 78 174.494 174.494 175.068 -0.574 19635 1856 1 4 . 1 1 78 78 LEU CA C 78 51.328 51.328 51.051 0.277 19635 1857 1 4 . 1 1 78 78 LEU CB C 78 42.774 42.774 45.112 -2.338 19635 1858 1 4 . 1 1 78 78 LEU H H 78 9.031 9.031 8.798 0.233 19635 1859 1 4 . 1 1 79 79 PRO HA H 79 4.661 4.661 4.556 0.105 19635 1860 1 4 . 1 1 79 79 PRO C C 79 176.239 176.239 176.384 -0.145 19635 1861 1 4 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.905 -0.838 19635 1862 1 4 . 1 1 79 79 PRO CB C 79 32.672 32.672 31.579 1.093 19635 1863 1 4 . 1 1 80 80 ALA N N 80 124.122 124.122 129.650 -5.528 19635 1864 1 4 . 1 1 80 80 ALA HA H 80 4.379 4.379 4.424 -0.045 19635 1865 1 4 . 1 1 80 80 ALA C C 80 177.807 177.807 176.673 1.134 19635 1866 1 4 . 1 1 80 80 ALA CA C 80 53.291 53.291 51.584 1.707 19635 1867 1 4 . 1 1 80 80 ALA CB C 80 17.692 17.692 18.139 -0.447 19635 1868 1 4 . 1 1 80 80 ALA H H 80 8.488 8.488 8.621 -0.133 19635 1869 1 4 . 1 1 81 81 GLN N N 81 118.018 118.018 121.807 -3.789 19635 1870 1 4 . 1 1 81 81 GLN HA H 81 5.234 5.234 4.379 0.855 19635 1871 1 4 . 1 1 81 81 GLN C C 81 173.284 173.284 175.149 -1.865 19635 1872 1 4 . 1 1 81 81 GLN CA C 81 55.332 55.332 54.945 0.387 19635 1873 1 4 . 1 1 81 81 GLN CB C 81 31.580 31.580 28.589 2.991 19635 1874 1 4 . 1 1 81 81 GLN H H 81 8.157 8.157 7.897 0.260 19635 1875 1 4 . 1 1 83 83 ILE HA H 83 4.121 4.121 3.814 0.307 19635 1876 1 4 . 1 1 83 83 ILE C C 83 175.873 175.873 176.643 -0.770 19635 1877 1 4 . 1 1 83 83 ILE CA C 83 62.249 62.249 61.890 0.359 19635 1878 1 4 . 1 1 83 83 ILE CB C 83 37.495 37.495 38.123 -0.629 19635 1879 1 4 . 1 1 84 84 GLN N N 84 126.522 126.522 124.627 1.895 19635 1880 1 4 . 1 1 84 84 GLN HA H 84 4.111 4.111 4.201 -0.090 19635 1881 1 4 . 1 1 84 84 GLN C C 84 176.028 176.028 176.309 -0.281 19635 1882 1 4 . 1 1 84 84 GLN CA C 84 61.521 61.521 56.167 5.354 19635 1883 1 4 . 1 1 84 84 GLN CB C 84 37.464 37.464 29.085 8.379 19635 1884 1 4 . 1 1 84 84 GLN H H 84 8.679 8.679 8.534 0.145 19635 1885 1 4 . 1 1 85 85 ASP HA H 85 4.488 4.488 4.492 -0.004 19635 1886 1 4 . 1 1 85 85 ASP C C 85 176.709 176.709 175.462 1.247 19635 1887 1 4 . 1 1 85 85 ASP CA C 85 54.513 54.513 53.927 0.586 19635 1888 1 4 . 1 1 85 85 ASP CB C 85 40.643 40.643 39.579 1.064 19635 1889 1 4 . 1 1 86 86 GLY N N 86 104.397 104.397 106.950 -2.553 19635 1890 1 4 . 1 1 86 86 GLY C C 86 174.308 174.308 172.908 1.400 19635 1891 1 4 . 1 1 86 86 GLY CA C 86 46.323 46.323 45.787 0.536 19635 1892 1 4 . 1 1 86 86 GLY H H 86 8.310 8.310 7.820 0.490 19635 1893 1 4 . 1 1 87 87 THR N N 87 119.045 119.045 121.017 -1.972 19635 1894 1 4 . 1 1 87 87 THR HA H 87 4.670 4.670 4.963 -0.293 19635 1895 1 4 . 1 1 87 87 THR C C 87 172.943 172.943 173.388 -0.445 19635 1896 1 4 . 1 1 87 87 THR CA C 87 61.905 61.905 62.151 -0.246 19635 1897 1 4 . 1 1 87 87 THR CB C 87 68.779 68.779 69.724 -0.945 19635 1898 1 4 . 1 1 87 87 THR H H 87 7.877 7.877 7.715 0.162 19635 1899 1 4 . 1 1 88 88 VAL N N 88 127.859 127.859 120.743 7.116 19635 1900 1 4 . 1 1 88 88 VAL HA H 88 4.110 4.110 4.480 -0.370 19635 1901 1 4 . 1 1 88 88 VAL C C 88 174.463 174.463 174.321 0.142 19635 1902 1 4 . 1 1 88 88 VAL CA C 88 61.157 61.157 59.746 1.411 19635 1903 1 4 . 1 1 88 88 VAL CB C 88 33.237 33.237 33.655 -0.418 19635 1904 1 4 . 1 1 88 88 VAL H H 88 8.241 8.241 8.019 0.222 19635 1905 1 4 . 1 1 89 89 ARG N N 89 129.825 129.825 127.384 2.441 19635 1906 1 4 . 1 1 89 89 ARG HA H 89 5.234 5.234 5.199 0.035 19635 1907 1 4 . 1 1 89 89 ARG C C 89 175.470 175.470 175.555 -0.085 19635 1908 1 4 . 1 1 89 89 ARG CA C 89 55.357 55.357 54.743 0.614 19635 1909 1 4 . 1 1 89 89 ARG CB C 89 31.594 31.594 31.785 -0.191 19635 1910 1 4 . 1 1 89 89 ARG H H 89 9.541 9.541 8.661 0.880 19635 1911 1 4 . 1 1 90 90 ILE N N 90 123.428 123.428 127.828 -4.400 19635 1912 1 4 . 1 1 90 90 ILE HA H 90 4.299 4.299 4.361 -0.062 19635 1913 1 4 . 1 1 90 90 ILE C C 90 174.106 174.106 174.664 -0.558 19635 1914 1 4 . 1 1 90 90 ILE CA C 90 60.444 60.444 60.633 -0.189 19635 1915 1 4 . 1 1 90 90 ILE CB C 90 41.390 41.390 39.650 1.740 19635 1916 1 4 . 1 1 90 90 ILE H H 90 8.641 8.641 9.184 -0.543 19635 1917 1 4 . 1 1 91 91 GLU N N 91 126.760 126.760 128.187 -1.427 19635 1918 1 4 . 1 1 91 91 GLU HA H 91 4.903 4.903 4.983 -0.080 19635 1919 1 4 . 1 1 91 91 GLU C C 91 174.246 174.246 175.617 -1.371 19635 1920 1 4 . 1 1 91 91 GLU CA C 91 54.422 54.422 54.854 -0.432 19635 1921 1 4 . 1 1 91 91 GLU CB C 91 32.035 32.035 30.858 1.177 19635 1922 1 4 . 1 1 91 91 GLU H H 91 8.388 8.388 8.870 -0.482 19635 1923 1 4 . 1 1 92 92 VAL N N 92 122.222 122.222 125.692 -3.470 19635 1924 1 4 . 1 1 92 92 VAL HA H 92 4.385 4.385 4.007 0.378 19635 1925 1 4 . 1 1 92 92 VAL C C 92 174.835 174.835 174.915 -0.080 19635 1926 1 4 . 1 1 92 92 VAL CA C 92 61.066 61.066 61.663 -0.597 19635 1927 1 4 . 1 1 92 92 VAL CB C 92 33.946 33.946 31.614 2.332 19635 1928 1 4 . 1 1 92 92 VAL H H 92 8.790 8.790 8.955 -0.165 19635 1929 1 4 . 1 1 93 93 LEU N N 93 128.617 128.617 130.687 -2.070 19635 1930 1 4 . 1 1 93 93 LEU HA H 93 4.812 4.812 4.579 0.233 19635 1931 1 4 . 1 1 93 93 LEU C C 93 176.540 176.540 176.609 -0.069 19635 1932 1 4 . 1 1 93 93 LEU CA C 93 53.148 53.148 53.902 -0.754 19635 1933 1 4 . 1 1 93 93 LEU CB C 93 43.229 43.229 41.478 1.751 19635 1934 1 4 . 1 1 93 93 LEU H H 93 8.980 8.980 8.485 0.495 19635 1935 1 4 . 1 1 94 94 GLU N N 94 123.476 123.476 125.465 -1.989 19635 1936 1 4 . 1 1 94 94 GLU HA H 94 3.821 3.821 4.072 -0.251 19635 1937 1 4 . 1 1 94 94 GLU C C 94 175.408 175.408 176.249 -0.841 19635 1938 1 4 . 1 1 94 94 GLU CA C 94 57.797 57.797 57.664 0.133 19635 1939 1 4 . 1 1 94 94 GLU CB C 94 29.676 29.676 30.144 -0.468 19635 1940 1 4 . 1 1 94 94 GLU H H 94 8.930 8.930 8.059 0.871 19635 1941 1 5 . 1 1 8 8 HIS HA H 8 4.637 4.637 4.545 0.092 19635 1942 1 5 . 1 1 8 8 HIS C C 8 174.897 174.897 174.829 0.068 19635 1943 1 5 . 1 1 8 8 HIS CA C 8 56.534 56.534 56.029 0.505 19635 1944 1 5 . 1 1 8 8 HIS CB C 8 31.030 31.030 29.751 1.279 19635 1945 1 5 . 1 1 9 9 VAL N N 9 121.834 121.834 120.049 1.785 19635 1946 1 5 . 1 1 9 9 VAL HA H 9 4.111 4.111 4.126 -0.015 19635 1947 1 5 . 1 1 9 9 VAL C C 9 175.486 175.486 174.051 1.435 19635 1948 1 5 . 1 1 9 9 VAL CA C 9 62.115 62.115 61.833 0.282 19635 1949 1 5 . 1 1 9 9 VAL CB C 9 33.036 33.036 32.861 0.174 19635 1950 1 5 . 1 1 9 9 VAL H H 9 7.998 7.998 7.459 0.539 19635 1951 1 5 . 1 1 10 10 ASP HA H 10 4.583 4.583 5.252 -0.669 19635 1952 1 5 . 1 1 10 10 ASP CA C 10 54.510 54.510 52.715 1.795 19635 1953 1 5 . 1 1 10 10 ASP CB C 10 41.545 41.545 44.191 -2.646 19635 1954 1 5 . 1 1 11 11 ASP HA H 11 4.583 4.583 4.506 0.077 19635 1955 1 5 . 1 1 11 11 ASP C C 11 176.012 176.012 175.784 0.228 19635 1956 1 5 . 1 1 11 11 ASP CA C 11 54.692 54.692 55.514 -0.822 19635 1957 1 5 . 1 1 11 11 ASP CB C 11 41.545 41.545 40.134 1.411 19635 1958 1 5 . 1 1 12 12 ASP N N 12 120.751 120.751 124.307 -3.556 19635 1959 1 5 . 1 1 12 12 ASP HA H 12 4.581 4.581 4.564 0.017 19635 1960 1 5 . 1 1 12 12 ASP C C 12 176.385 176.385 176.061 0.324 19635 1961 1 5 . 1 1 12 12 ASP CA C 12 54.695 54.695 55.883 -1.188 19635 1962 1 5 . 1 1 12 12 ASP CB C 12 41.363 41.363 41.994 -0.631 19635 1963 1 5 . 1 1 12 12 ASP H H 12 8.249 8.249 8.168 0.081 19635 1964 1 5 . 1 1 13 13 ASP N N 13 120.536 120.536 119.666 0.870 19635 1965 1 5 . 1 1 13 13 ASP HA H 13 4.576 4.576 4.744 -0.168 19635 1966 1 5 . 1 1 13 13 ASP C C 13 176.818 176.818 174.847 1.971 19635 1967 1 5 . 1 1 13 13 ASP CA C 13 54.877 54.877 53.818 1.059 19635 1968 1 5 . 1 1 13 13 ASP CB C 13 41.318 41.318 41.647 -0.329 19635 1969 1 5 . 1 1 13 13 ASP H H 13 8.291 8.291 8.386 -0.095 19635 1970 1 5 . 1 1 14 14 LYS N N 14 120.496 120.496 126.865 -6.369 19635 1971 1 5 . 1 1 14 14 LYS HA H 14 4.303 4.303 4.645 -0.342 19635 1972 1 5 . 1 1 14 14 LYS C C 14 177.190 177.190 175.094 2.096 19635 1973 1 5 . 1 1 14 14 LYS CA C 14 56.788 56.788 56.138 0.650 19635 1974 1 5 . 1 1 14 14 LYS CB C 14 32.399 32.399 31.739 0.660 19635 1975 1 5 . 1 1 14 14 LYS H H 14 8.181 8.181 8.597 -0.416 19635 1976 1 5 . 1 1 15 15 MET N N 15 119.518 119.518 121.679 -2.161 19635 1977 1 5 . 1 1 15 15 MET HA H 15 4.546 4.546 4.635 -0.089 19635 1978 1 5 . 1 1 15 15 MET C C 15 176.881 176.881 177.661 -0.780 19635 1979 1 5 . 1 1 15 15 MET CA C 15 55.696 55.696 56.509 -0.813 19635 1980 1 5 . 1 1 15 15 MET CB C 15 32.490 32.490 34.014 -1.524 19635 1981 1 5 . 1 1 15 15 MET H H 15 8.276 8.276 8.451 -0.175 19635 1982 1 5 . 1 1 16 16 GLY N N 16 109.506 109.506 107.385 2.121 19635 1983 1 5 . 1 1 16 16 GLY C C 16 174.432 174.432 174.905 -0.473 19635 1984 1 5 . 1 1 16 16 GLY CA C 16 45.498 45.498 45.113 0.385 19635 1985 1 5 . 1 1 16 16 GLY H H 16 8.373 8.373 8.460 -0.087 19635 1986 1 5 . 1 1 17 17 GLY N N 17 108.711 108.711 107.380 1.331 19635 1987 1 5 . 1 1 17 17 GLY C C 17 171.409 171.409 171.524 -0.115 19635 1988 1 5 . 1 1 17 17 GLY CA C 17 44.685 44.685 44.604 0.081 19635 1989 1 5 . 1 1 17 17 GLY H H 17 8.116 8.116 7.567 0.549 19635 1990 1 5 . 1 1 18 18 PRO HA H 18 4.744 4.744 4.413 0.331 19635 1991 1 5 . 1 1 18 18 PRO C C 18 176.462 176.462 176.989 -0.527 19635 1992 1 5 . 1 1 18 18 PRO CA C 18 62.795 62.795 62.666 0.129 19635 1993 1 5 . 1 1 18 18 PRO CB C 18 35.220 35.220 32.421 2.799 19635 1994 1 5 . 1 1 19 19 THR N N 19 111.524 111.524 112.718 -1.194 19635 1995 1 5 . 1 1 19 19 THR HA H 19 4.744 4.744 4.600 0.144 19635 1996 1 5 . 1 1 19 19 THR C C 19 173.827 173.827 174.480 -0.653 19635 1997 1 5 . 1 1 19 19 THR CA C 19 59.988 59.988 60.920 -0.932 19635 1998 1 5 . 1 1 19 19 THR CB C 19 71.622 71.622 69.702 1.920 19635 1999 1 5 . 1 1 19 19 THR H H 19 8.229 8.229 8.212 0.017 19635 2000 1 5 . 1 1 20 20 VAL N N 20 119.259 119.259 125.454 -6.195 19635 2001 1 5 . 1 1 20 20 VAL HA H 20 4.378 4.378 4.187 0.191 19635 2002 1 5 . 1 1 20 20 VAL C C 20 173.718 173.718 174.427 -0.709 19635 2003 1 5 . 1 1 20 20 VAL CA C 20 59.714 59.714 60.980 -1.266 19635 2004 1 5 . 1 1 20 20 VAL CB C 20 35.482 35.482 34.197 1.285 19635 2005 1 5 . 1 1 20 20 VAL H H 20 8.740 8.740 8.992 -0.252 19635 2006 1 5 . 1 1 21 21 LEU N N 21 127.557 127.557 130.743 -3.186 19635 2007 1 5 . 1 1 21 21 LEU HA H 21 4.427 4.427 4.457 -0.030 19635 2008 1 5 . 1 1 21 21 LEU C C 21 175.362 175.362 175.870 -0.508 19635 2009 1 5 . 1 1 21 21 LEU CA C 21 54.604 54.604 54.743 -0.140 19635 2010 1 5 . 1 1 21 21 LEU CB C 21 40.720 40.720 41.646 -0.926 19635 2011 1 5 . 1 1 21 21 LEU H H 21 8.229 8.229 8.632 -0.403 19635 2012 1 5 . 1 1 22 22 VAL N N 22 128.501 128.501 128.040 0.461 19635 2013 1 5 . 1 1 22 22 VAL HA H 22 3.648 3.648 3.883 -0.235 19635 2014 1 5 . 1 1 22 22 VAL C C 22 175.346 175.346 175.600 -0.254 19635 2015 1 5 . 1 1 22 22 VAL CA C 22 63.146 63.146 63.707 -0.561 19635 2016 1 5 . 1 1 22 22 VAL CB C 22 32.151 32.151 31.145 1.006 19635 2017 1 5 . 1 1 22 22 VAL H H 22 8.132 8.132 8.049 0.083 19635 2018 1 5 . 1 1 23 23 LYS N N 23 127.302 127.302 129.690 -2.388 19635 2019 1 5 . 1 1 23 23 LYS HA H 23 4.420 4.420 4.465 -0.045 19635 2020 1 5 . 1 1 23 23 LYS C C 23 176.385 176.385 175.896 0.489 19635 2021 1 5 . 1 1 23 23 LYS CA C 23 56.975 56.975 56.824 0.151 19635 2022 1 5 . 1 1 23 23 LYS CB C 23 34.150 34.150 33.827 0.323 19635 2023 1 5 . 1 1 23 23 LYS H H 23 9.694 9.694 8.898 0.796 19635 2024 1 5 . 1 1 24 24 ARG N N 24 114.443 114.443 116.244 -1.801 19635 2025 1 5 . 1 1 24 24 ARG HA H 24 4.468 4.468 4.562 -0.094 19635 2026 1 5 . 1 1 24 24 ARG C C 24 172.401 172.401 173.710 -1.309 19635 2027 1 5 . 1 1 24 24 ARG CA C 24 54.596 54.596 55.569 -0.973 19635 2028 1 5 . 1 1 24 24 ARG CB C 24 32.125 32.125 32.223 -0.098 19635 2029 1 5 . 1 1 24 24 ARG H H 24 7.735 7.735 7.728 0.007 19635 2030 1 5 . 1 1 25 25 PHE N N 25 117.669 117.669 118.559 -0.890 19635 2031 1 5 . 1 1 25 25 PHE HA H 25 5.561 5.561 5.445 0.116 19635 2032 1 5 . 1 1 25 25 PHE C C 25 174.618 174.618 175.553 -0.935 19635 2033 1 5 . 1 1 25 25 PHE CA C 25 56.333 56.333 56.592 -0.259 19635 2034 1 5 . 1 1 25 25 PHE CB C 25 42.319 42.319 41.178 1.141 19635 2035 1 5 . 1 1 25 25 PHE H H 25 8.550 8.550 8.591 -0.041 19635 2036 1 5 . 1 1 26 26 GLN N N 26 121.215 121.215 121.536 -0.321 19635 2037 1 5 . 1 1 26 26 GLN HA H 26 4.576 4.576 4.804 -0.228 19635 2038 1 5 . 1 1 26 26 GLN C C 26 173.904 173.904 174.053 -0.149 19635 2039 1 5 . 1 1 26 26 GLN CA C 26 54.695 54.695 54.213 0.482 19635 2040 1 5 . 1 1 26 26 GLN CB C 26 32.077 32.077 32.185 -0.108 19635 2041 1 5 . 1 1 26 26 GLN H H 26 8.926 8.926 9.206 -0.280 19635 2042 1 5 . 1 1 27 27 LEU N N 27 126.971 126.971 127.793 -0.822 19635 2043 1 5 . 1 1 27 27 LEU HA H 27 5.285 5.285 5.305 -0.020 19635 2044 1 5 . 1 1 27 27 LEU C C 27 177.098 177.098 176.887 0.211 19635 2045 1 5 . 1 1 27 27 LEU CA C 27 53.512 53.512 53.516 -0.004 19635 2046 1 5 . 1 1 27 27 LEU CB C 27 44.048 44.048 42.978 1.070 19635 2047 1 5 . 1 1 27 27 LEU H H 27 8.906 8.906 8.207 0.699 19635 2048 1 5 . 1 1 28 28 SER N N 28 114.562 114.562 118.068 -3.506 19635 2049 1 5 . 1 1 28 28 SER HA H 28 4.866 4.866 4.778 0.088 19635 2050 1 5 . 1 1 28 28 SER C C 28 173.811 173.811 174.237 -0.426 19635 2051 1 5 . 1 1 28 28 SER CA C 28 57.249 57.249 57.122 0.127 19635 2052 1 5 . 1 1 28 28 SER CB C 28 65.161 65.161 64.977 0.184 19635 2053 1 5 . 1 1 28 28 SER H H 28 8.114 8.114 8.999 -0.885 19635 2054 1 5 . 1 1 29 29 GLY N N 29 112.273 112.273 112.506 -0.233 19635 2055 1 5 . 1 1 29 29 GLY C C 29 173.548 173.548 172.952 0.596 19635 2056 1 5 . 1 1 29 29 GLY CA C 29 45.235 45.235 45.173 0.062 19635 2057 1 5 . 1 1 29 29 GLY H H 29 8.714 8.714 8.748 -0.034 19635 2058 1 5 . 1 1 30 30 ASN N N 30 114.106 114.106 118.313 -4.207 19635 2059 1 5 . 1 1 30 30 ASN HA H 30 4.536 4.536 4.815 -0.279 19635 2060 1 5 . 1 1 30 30 ASN C C 30 174.804 174.804 174.329 0.475 19635 2061 1 5 . 1 1 30 30 ASN CA C 30 53.876 53.876 52.518 1.358 19635 2062 1 5 . 1 1 30 30 ASN CB C 30 37.495 37.495 38.134 -0.639 19635 2063 1 5 . 1 1 30 30 ASN H H 30 9.436 9.436 8.001 1.435 19635 2064 1 5 . 1 1 31 31 ARG N N 31 124.382 124.382 123.548 0.834 19635 2065 1 5 . 1 1 31 31 ARG HA H 31 4.408 4.408 4.528 -0.120 19635 2066 1 5 . 1 1 31 31 ARG C C 31 177.656 177.656 177.332 0.324 19635 2067 1 5 . 1 1 31 31 ARG CA C 31 57.066 57.066 56.903 0.164 19635 2068 1 5 . 1 1 31 31 ARG CB C 31 32.689 32.689 32.037 0.652 19635 2069 1 5 . 1 1 31 31 ARG H H 31 9.427 9.427 9.557 -0.130 19635 2070 1 5 . 1 1 32 32 GLN N N 32 122.307 122.307 117.817 4.490 19635 2071 1 5 . 1 1 32 32 GLN HA H 32 3.804 3.804 3.931 -0.127 19635 2072 1 5 . 1 1 32 32 GLN C C 32 175.005 175.005 175.920 -0.915 19635 2073 1 5 . 1 1 32 32 GLN CA C 32 57.243 57.243 57.694 -0.451 19635 2074 1 5 . 1 1 32 32 GLN CB C 32 28.850 28.850 28.969 -0.119 19635 2075 1 5 . 1 1 32 32 GLN H H 32 10.333 10.333 8.994 1.339 19635 2076 1 5 . 1 1 33 33 PHE N N 33 110.633 110.633 117.544 -6.911 19635 2077 1 5 . 1 1 33 33 PHE HA H 33 4.815 4.815 4.590 0.225 19635 2078 1 5 . 1 1 33 33 PHE C C 33 174.215 174.215 174.574 -0.359 19635 2079 1 5 . 1 1 33 33 PHE CA C 33 55.514 55.514 56.532 -1.018 19635 2080 1 5 . 1 1 33 33 PHE CB C 33 43.006 43.006 41.444 1.562 19635 2081 1 5 . 1 1 33 33 PHE H H 33 6.698 6.698 7.484 -0.786 19635 2082 1 5 . 1 1 34 34 ASP N N 34 120.588 120.588 121.357 -0.769 19635 2083 1 5 . 1 1 34 34 ASP HA H 34 4.547 4.547 4.540 0.007 19635 2084 1 5 . 1 1 34 34 ASP C C 34 175.253 175.253 176.442 -1.189 19635 2085 1 5 . 1 1 34 34 ASP CA C 34 52.684 52.684 53.316 -0.632 19635 2086 1 5 . 1 1 34 34 ASP CB C 34 42.276 42.276 41.838 0.438 19635 2087 1 5 . 1 1 34 34 ASP H H 34 8.477 8.477 8.389 0.088 19635 2088 1 5 . 1 1 35 35 ASP N N 35 118.353 118.353 120.605 -2.252 19635 2089 1 5 . 1 1 35 35 ASP HA H 35 4.022 4.022 4.269 -0.247 19635 2090 1 5 . 1 1 35 35 ASP C C 35 177.826 177.826 178.458 -0.632 19635 2091 1 5 . 1 1 35 35 ASP CA C 35 57.607 57.607 57.953 -0.346 19635 2092 1 5 . 1 1 35 35 ASP CB C 35 39.771 39.771 40.633 -0.862 19635 2093 1 5 . 1 1 35 35 ASP H H 35 8.507 8.507 8.618 -0.111 19635 2094 1 5 . 1 1 36 36 ARG N N 36 117.028 117.028 119.463 -2.435 19635 2095 1 5 . 1 1 36 36 ARG HA H 36 3.873 3.873 3.889 -0.016 19635 2096 1 5 . 1 1 36 36 ARG C C 36 179.206 179.206 178.140 1.066 19635 2097 1 5 . 1 1 36 36 ARG CA C 36 59.610 59.610 59.309 0.300 19635 2098 1 5 . 1 1 36 36 ARG CB C 36 29.422 29.422 30.148 -0.726 19635 2099 1 5 . 1 1 36 36 ARG H H 36 8.111 8.111 8.004 0.107 19635 2100 1 5 . 1 1 37 37 ARG N N 37 119.265 119.265 118.934 0.331 19635 2101 1 5 . 1 1 37 37 ARG HA H 37 4.020 4.020 4.031 -0.011 19635 2102 1 5 . 1 1 37 37 ARG C C 37 177.950 177.950 177.865 0.085 19635 2103 1 5 . 1 1 37 37 ARG CA C 37 57.698 57.698 58.417 -0.719 19635 2104 1 5 . 1 1 37 37 ARG CB C 37 30.124 30.124 29.526 0.598 19635 2105 1 5 . 1 1 37 37 ARG H H 37 7.826 7.826 7.949 -0.123 19635 2106 1 5 . 1 1 38 38 LEU N N 38 115.462 115.462 117.962 -2.500 19635 2107 1 5 . 1 1 38 38 LEU HA H 38 3.819 3.819 3.928 -0.109 19635 2108 1 5 . 1 1 38 38 LEU C C 38 179.067 179.067 178.986 0.081 19635 2109 1 5 . 1 1 38 38 LEU CA C 38 56.333 56.333 55.677 0.656 19635 2110 1 5 . 1 1 38 38 LEU CB C 38 42.046 42.046 41.833 0.213 19635 2111 1 5 . 1 1 38 38 LEU H H 38 7.365 7.365 7.585 -0.220 19635 2112 1 5 . 1 1 39 39 LEU N N 39 117.922 117.922 121.205 -3.283 19635 2113 1 5 . 1 1 39 39 LEU HA H 39 3.823 3.823 3.796 0.027 19635 2114 1 5 . 1 1 39 39 LEU C C 39 181.051 181.051 178.821 2.230 19635 2115 1 5 . 1 1 39 39 LEU CA C 39 57.607 57.607 57.895 -0.288 19635 2116 1 5 . 1 1 39 39 LEU CB C 39 41.089 41.089 40.963 0.126 19635 2117 1 5 . 1 1 39 39 LEU H H 39 9.081 9.081 8.299 0.782 19635 2118 1 5 . 1 1 40 40 ALA N N 40 121.136 121.136 121.063 0.073 19635 2119 1 5 . 1 1 40 40 ALA HA H 40 4.077 4.077 4.040 0.037 19635 2120 1 5 . 1 1 40 40 ALA C C 40 180.059 180.059 179.656 0.403 19635 2121 1 5 . 1 1 40 40 ALA CA C 40 54.514 54.514 54.480 0.034 19635 2122 1 5 . 1 1 40 40 ALA CB C 40 17.716 17.716 18.145 -0.429 19635 2123 1 5 . 1 1 40 40 ALA H H 40 7.266 7.266 7.839 -0.573 19635 2124 1 5 . 1 1 41 41 LEU N N 41 115.253 115.253 118.393 -3.140 19635 2125 1 5 . 1 1 41 41 LEU HA H 41 4.128 4.128 3.996 0.132 19635 2126 1 5 . 1 1 41 41 LEU C C 41 177.966 177.966 177.321 0.645 19635 2127 1 5 . 1 1 41 41 LEU CA C 41 55.971 55.971 57.206 -1.235 19635 2128 1 5 . 1 1 41 41 LEU CB C 41 42.093 42.093 42.100 -0.007 19635 2129 1 5 . 1 1 41 41 LEU H H 41 7.215 7.215 7.306 -0.091 19635 2130 1 5 . 1 1 42 42 LEU N N 42 116.365 116.365 115.282 1.083 19635 2131 1 5 . 1 1 42 42 LEU HA H 42 4.298 4.298 4.486 -0.188 19635 2132 1 5 . 1 1 42 42 LEU C C 42 177.842 177.842 177.573 0.269 19635 2133 1 5 . 1 1 42 42 LEU CA C 42 53.232 53.232 51.696 1.536 19635 2134 1 5 . 1 1 42 42 LEU CB C 42 41.955 41.955 38.449 3.506 19635 2135 1 5 . 1 1 42 42 LEU H H 42 7.392 7.392 7.917 -0.525 19635 2136 1 5 . 1 1 43 43 HIS N N 43 117.222 117.222 119.663 -2.441 19635 2137 1 5 . 1 1 43 43 HIS HA H 43 4.279 4.279 4.214 0.065 19635 2138 1 5 . 1 1 43 43 HIS C C 43 174.494 174.494 175.409 -0.915 19635 2139 1 5 . 1 1 43 43 HIS CA C 43 59.428 59.428 59.017 0.411 19635 2140 1 5 . 1 1 43 43 HIS CB C 43 31.216 31.216 29.406 1.810 19635 2141 1 5 . 1 1 43 43 HIS H H 43 7.012 7.012 7.571 -0.559 19635 2142 1 5 . 1 1 44 44 ASP N N 44 116.296 116.296 116.735 -0.439 19635 2143 1 5 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.307 0.031 19635 2144 1 5 . 1 1 44 44 ASP C C 44 176.385 176.385 175.996 0.389 19635 2145 1 5 . 1 1 44 44 ASP CA C 44 53.785 53.785 53.990 -0.205 19635 2146 1 5 . 1 1 44 44 ASP CB C 44 38.989 38.989 40.474 -1.485 19635 2147 1 5 . 1 1 44 44 ASP H H 44 9.235 9.235 7.982 1.253 19635 2148 1 5 . 1 1 45 45 LEU N N 45 119.937 119.937 121.120 -1.183 19635 2149 1 5 . 1 1 45 45 LEU HA H 45 4.212 4.212 4.674 -0.462 19635 2150 1 5 . 1 1 45 45 LEU C C 45 173.563 173.563 175.279 -1.716 19635 2151 1 5 . 1 1 45 45 LEU CA C 45 57.881 57.881 56.502 1.379 19635 2152 1 5 . 1 1 45 45 LEU CB C 45 41.955 41.955 40.858 1.097 19635 2153 1 5 . 1 1 45 45 LEU H H 45 7.866 7.866 7.976 -0.110 19635 2154 1 5 . 1 1 46 46 PRO HA H 46 3.992 3.992 4.309 -0.317 19635 2155 1 5 . 1 1 46 46 PRO C C 46 177.160 177.160 177.525 -0.365 19635 2156 1 5 . 1 1 46 46 PRO CA C 46 65.036 65.036 63.196 1.840 19635 2157 1 5 . 1 1 46 46 PRO CB C 46 29.032 29.032 32.439 -3.407 19635 2158 1 5 . 1 1 47 47 GLY N N 47 111.431 111.431 110.512 0.919 19635 2159 1 5 . 1 1 47 47 GLY C C 47 173.827 173.827 173.373 0.454 19635 2160 1 5 . 1 1 47 47 GLY CA C 47 44.685 44.685 44.917 -0.232 19635 2161 1 5 . 1 1 47 47 GLY H H 47 9.411 9.411 8.958 0.453 19635 2162 1 5 . 1 1 48 48 GLN N N 48 117.897 117.897 118.919 -1.022 19635 2163 1 5 . 1 1 48 48 GLN HA H 48 4.507 4.507 4.502 0.005 19635 2164 1 5 . 1 1 48 48 GLN C C 48 174.525 174.525 173.866 0.659 19635 2165 1 5 . 1 1 48 48 GLN CA C 48 54.695 54.695 53.509 1.186 19635 2166 1 5 . 1 1 48 48 GLN CB C 48 31.034 31.034 32.555 -1.521 19635 2167 1 5 . 1 1 48 48 GLN H H 48 7.871 7.871 7.356 0.515 19635 2168 1 5 . 1 1 49 49 GLU N N 49 120.443 120.443 121.755 -1.312 19635 2169 1 5 . 1 1 49 49 GLU HA H 49 4.815 4.815 4.383 0.432 19635 2170 1 5 . 1 1 49 49 GLU C C 49 175.672 175.672 175.446 0.226 19635 2171 1 5 . 1 1 49 49 GLU CA C 49 55.423 55.423 55.749 -0.326 19635 2172 1 5 . 1 1 49 49 GLU CB C 49 30.224 30.224 29.402 0.822 19635 2173 1 5 . 1 1 49 49 GLU H H 49 8.369 8.369 8.645 -0.276 19635 2174 1 5 . 1 1 50 50 LEU N N 50 125.608 125.608 124.562 1.046 19635 2175 1 5 . 1 1 50 50 LEU HA H 50 5.010 5.010 4.487 0.523 19635 2176 1 5 . 1 1 50 50 LEU C C 50 176.338 176.338 176.922 -0.584 19635 2177 1 5 . 1 1 50 50 LEU CA C 50 53.232 53.232 52.975 0.257 19635 2178 1 5 . 1 1 50 50 LEU CB C 50 45.413 45.413 41.991 3.422 19635 2179 1 5 . 1 1 50 50 LEU H H 50 8.663 8.663 7.671 0.992 19635 2180 1 5 . 1 1 51 51 ASN N N 51 118.769 118.769 120.388 -1.619 19635 2181 1 5 . 1 1 51 51 ASN HA H 51 5.183 5.183 5.092 0.091 19635 2182 1 5 . 1 1 51 51 ASN C C 51 176.013 176.013 177.046 -1.033 19635 2183 1 5 . 1 1 51 51 ASN CA C 51 50.600 50.600 52.333 -1.733 19635 2184 1 5 . 1 1 51 51 ASN CB C 51 39.407 39.407 39.905 -0.498 19635 2185 1 5 . 1 1 51 51 ASN H H 51 8.897 8.897 8.469 0.428 19635 2186 1 5 . 1 1 52 52 LEU N N 52 118.818 118.818 119.937 -1.119 19635 2187 1 5 . 1 1 52 52 LEU HA H 52 4.041 4.041 4.063 -0.022 19635 2188 1 5 . 1 1 52 52 LEU C C 52 179.036 179.036 178.923 0.113 19635 2189 1 5 . 1 1 52 52 LEU CA C 52 58.609 58.609 58.011 0.598 19635 2190 1 5 . 1 1 52 52 LEU CB C 52 41.773 41.773 40.475 1.298 19635 2191 1 5 . 1 1 52 52 LEU H H 52 8.585 8.585 8.446 0.139 19635 2192 1 5 . 1 1 53 53 SER N N 53 115.007 115.007 114.620 0.387 19635 2193 1 5 . 1 1 53 53 SER HA H 53 4.358 4.358 4.123 0.235 19635 2194 1 5 . 1 1 53 53 SER C C 53 178.307 178.307 177.134 1.173 19635 2195 1 5 . 1 1 53 53 SER CA C 53 62.270 62.270 61.837 0.433 19635 2196 1 5 . 1 1 53 53 SER CB C 53 62.340 62.340 62.822 -0.482 19635 2197 1 5 . 1 1 53 53 SER H H 53 8.385 8.385 8.714 -0.329 19635 2198 1 5 . 1 1 54 54 GLN N N 54 122.316 122.316 121.098 1.218 19635 2199 1 5 . 1 1 54 54 GLN HA H 54 4.219 4.219 4.127 0.092 19635 2200 1 5 . 1 1 54 54 GLN C C 54 179.361 179.361 178.481 0.880 19635 2201 1 5 . 1 1 54 54 GLN CA C 54 58.618 58.618 58.709 -0.091 19635 2202 1 5 . 1 1 54 54 GLN CB C 54 29.942 29.942 28.898 1.044 19635 2203 1 5 . 1 1 54 54 GLN H H 54 8.478 8.478 7.893 0.585 19635 2204 1 5 . 1 1 55 55 LEU N N 55 122.348 122.348 120.980 1.368 19635 2205 1 5 . 1 1 55 55 LEU HA H 55 4.209 4.209 3.991 0.218 19635 2206 1 5 . 1 1 55 55 LEU C C 55 178.989 178.989 179.264 -0.275 19635 2207 1 5 . 1 1 55 55 LEU CA C 55 57.972 57.972 58.457 -0.485 19635 2208 1 5 . 1 1 55 55 LEU CB C 55 41.910 41.910 41.502 0.408 19635 2209 1 5 . 1 1 55 55 LEU H H 55 8.354 8.354 7.748 0.606 19635 2210 1 5 . 1 1 56 56 HIS N N 56 119.481 119.481 116.515 2.966 19635 2211 1 5 . 1 1 56 56 HIS HA H 56 4.358 4.358 4.349 0.009 19635 2212 1 5 . 1 1 56 56 HIS C C 56 179.671 179.671 177.452 2.219 19635 2213 1 5 . 1 1 56 56 HIS CA C 56 60.757 60.757 59.700 1.057 19635 2214 1 5 . 1 1 56 56 HIS CB C 56 30.670 30.670 29.943 0.727 19635 2215 1 5 . 1 1 56 56 HIS H H 56 8.592 8.592 8.606 -0.014 19635 2216 1 5 . 1 1 57 57 ALA N N 57 122.582 122.582 121.304 1.278 19635 2217 1 5 . 1 1 57 57 ALA HA H 57 4.289 4.289 4.131 0.158 19635 2218 1 5 . 1 1 57 57 ALA C C 57 179.919 179.919 179.089 0.830 19635 2219 1 5 . 1 1 57 57 ALA CA C 57 54.877 54.877 54.680 0.197 19635 2220 1 5 . 1 1 57 57 ALA CB C 57 17.716 17.716 18.086 -0.370 19635 2221 1 5 . 1 1 57 57 ALA H H 57 8.091 8.091 7.810 0.281 19635 2222 1 5 . 1 1 58 58 ALA N N 58 122.641 122.641 120.585 2.056 19635 2223 1 5 . 1 1 58 58 ALA HA H 58 3.812 3.812 3.961 -0.149 19635 2224 1 5 . 1 1 58 58 ALA C C 58 178.570 178.570 178.898 -0.328 19635 2225 1 5 . 1 1 58 58 ALA CA C 58 55.149 55.149 54.913 0.236 19635 2226 1 5 . 1 1 58 58 ALA CB C 58 17.677 17.677 18.442 -0.765 19635 2227 1 5 . 1 1 58 58 ALA H H 58 7.835 7.835 7.690 0.145 19635 2228 1 5 . 1 1 59 59 ALA N N 59 117.349 117.349 120.441 -3.092 19635 2229 1 5 . 1 1 59 59 ALA HA H 59 3.802 3.802 4.102 -0.300 19635 2230 1 5 . 1 1 59 59 ALA C C 59 179.360 179.360 179.407 -0.047 19635 2231 1 5 . 1 1 59 59 ALA CA C 59 55.149 55.149 54.645 0.504 19635 2232 1 5 . 1 1 59 59 ALA CB C 59 17.509 17.509 18.220 -0.710 19635 2233 1 5 . 1 1 59 59 ALA H H 59 7.390 7.390 7.427 -0.037 19635 2234 1 5 . 1 1 60 60 ALA N N 60 119.393 119.393 121.276 -1.883 19635 2235 1 5 . 1 1 60 60 ALA HA H 60 4.279 4.279 4.065 0.214 19635 2236 1 5 . 1 1 60 60 ALA C C 60 179.315 179.315 179.541 -0.226 19635 2237 1 5 . 1 1 60 60 ALA CA C 60 54.644 54.644 54.846 -0.202 19635 2238 1 5 . 1 1 60 60 ALA CB C 60 17.625 17.625 18.417 -0.792 19635 2239 1 5 . 1 1 60 60 ALA H H 60 7.944 7.944 7.569 0.375 19635 2240 1 5 . 1 1 61 61 ARG N N 61 116.621 116.621 118.176 -1.555 19635 2241 1 5 . 1 1 61 61 ARG HA H 61 4.229 4.229 4.036 0.193 19635 2242 1 5 . 1 1 61 61 ARG C C 61 180.214 180.214 178.980 1.234 19635 2243 1 5 . 1 1 61 61 ARG CA C 61 59.519 59.519 59.434 0.086 19635 2244 1 5 . 1 1 61 61 ARG CB C 61 31.216 31.216 30.092 1.124 19635 2245 1 5 . 1 1 61 61 ARG H H 61 7.739 7.739 7.607 0.132 19635 2246 1 5 . 1 1 62 62 ILE N N 62 117.642 117.642 118.773 -1.131 19635 2247 1 5 . 1 1 62 62 ILE HA H 62 3.742 3.742 3.989 -0.247 19635 2248 1 5 . 1 1 62 62 ILE C C 62 178.214 178.214 177.914 0.300 19635 2249 1 5 . 1 1 62 62 ILE CA C 62 63.705 63.705 64.140 -0.435 19635 2250 1 5 . 1 1 62 62 ILE CB C 62 36.221 36.221 37.703 -1.482 19635 2251 1 5 . 1 1 62 62 ILE H H 62 7.315 7.315 7.270 0.045 19635 2252 1 5 . 1 1 63 63 GLY N N 63 107.326 107.326 108.965 -1.639 19635 2253 1 5 . 1 1 63 63 GLY C C 63 176.152 176.152 175.917 0.235 19635 2254 1 5 . 1 1 63 63 GLY CA C 63 47.975 47.975 47.550 0.424 19635 2255 1 5 . 1 1 63 63 GLY H H 63 7.862 7.862 8.426 -0.564 19635 2256 1 5 . 1 1 64 64 ASP N N 64 121.729 121.729 122.343 -0.614 19635 2257 1 5 . 1 1 64 64 ASP HA H 64 4.447 4.447 4.581 -0.134 19635 2258 1 5 . 1 1 64 64 ASP C C 64 178.338 178.338 178.059 0.279 19635 2259 1 5 . 1 1 64 64 ASP CA C 64 57.516 57.516 57.417 0.099 19635 2260 1 5 . 1 1 64 64 ASP CB C 64 40.135 40.135 41.006 -0.871 19635 2261 1 5 . 1 1 64 64 ASP H H 64 8.899 8.899 8.249 0.650 19635 2262 1 5 . 1 1 65 65 PHE N N 65 122.347 122.347 122.536 -0.189 19635 2263 1 5 . 1 1 65 65 PHE HA H 65 4.259 4.259 4.053 0.206 19635 2264 1 5 . 1 1 65 65 PHE C C 65 176.989 176.989 177.168 -0.179 19635 2265 1 5 . 1 1 65 65 PHE CA C 65 61.357 61.357 61.918 -0.561 19635 2266 1 5 . 1 1 65 65 PHE CB C 65 39.589 39.589 38.975 0.614 19635 2267 1 5 . 1 1 65 65 PHE H H 65 7.662 7.662 7.849 -0.187 19635 2268 1 5 . 1 1 66 66 TYR N N 66 117.664 117.664 117.921 -0.257 19635 2269 1 5 . 1 1 66 66 TYR HA H 66 3.752 3.752 4.204 -0.452 19635 2270 1 5 . 1 1 66 66 TYR C C 66 179.253 179.253 178.459 0.794 19635 2271 1 5 . 1 1 66 66 TYR CA C 66 63.822 63.822 62.707 1.115 19635 2272 1 5 . 1 1 66 66 TYR CB C 66 38.532 38.532 38.293 0.239 19635 2273 1 5 . 1 1 66 66 TYR H H 66 8.105 8.105 8.428 -0.323 19635 2274 1 5 . 1 1 67 67 GLN N N 67 117.372 117.372 117.412 -0.040 19635 2275 1 5 . 1 1 67 67 GLN HA H 67 3.752 3.752 4.173 -0.421 19635 2276 1 5 . 1 1 67 67 GLN C C 67 180.322 180.322 178.995 1.327 19635 2277 1 5 . 1 1 67 67 GLN CA C 67 59.714 59.714 58.993 0.721 19635 2278 1 5 . 1 1 67 67 GLN CB C 67 27.759 27.759 28.323 -0.564 19635 2279 1 5 . 1 1 67 67 GLN H H 67 8.263 8.263 7.964 0.299 19635 2280 1 5 . 1 1 68 68 GLU N N 68 122.805 122.805 120.045 2.760 19635 2281 1 5 . 1 1 68 68 GLU HA H 68 4.130 4.130 4.073 0.057 19635 2282 1 5 . 1 1 68 68 GLU C C 68 178.400 178.400 177.366 1.034 19635 2283 1 5 . 1 1 68 68 GLU CA C 68 56.062 56.062 58.930 -2.868 19635 2284 1 5 . 1 1 68 68 GLU CB C 68 41.955 41.955 29.555 12.400 19635 2285 1 5 . 1 1 68 68 GLU H H 68 8.525 8.525 8.076 0.449 19635 2286 1 5 . 1 1 69 69 LYS N N 69 116.254 116.254 115.615 0.639 19635 2287 1 5 . 1 1 69 69 LYS HA H 69 4.223 4.223 4.158 0.065 19635 2288 1 5 . 1 1 69 69 LYS C C 69 176.090 176.090 176.402 -0.312 19635 2289 1 5 . 1 1 69 69 LYS CA C 69 54.692 54.692 55.571 -0.879 19635 2290 1 5 . 1 1 69 69 LYS CB C 69 31.685 31.685 31.984 -0.299 19635 2291 1 5 . 1 1 69 69 LYS H H 69 7.413 7.413 7.251 0.162 19635 2292 1 5 . 1 1 70 70 GLY N N 70 105.876 105.876 105.882 -0.006 19635 2293 1 5 . 1 1 70 70 GLY C C 70 174.602 174.602 174.648 -0.046 19635 2294 1 5 . 1 1 70 70 GLY CA C 70 45.197 45.197 44.802 0.395 19635 2295 1 5 . 1 1 70 70 GLY H H 70 7.770 7.770 7.882 -0.112 19635 2296 1 5 . 1 1 71 71 TYR N N 71 124.341 124.341 121.973 2.368 19635 2297 1 5 . 1 1 71 71 TYR HA H 71 4.795 4.795 4.700 0.095 19635 2298 1 5 . 1 1 71 71 TYR C C 71 177.082 177.082 175.995 1.087 19635 2299 1 5 . 1 1 71 71 TYR CA C 71 57.431 57.431 57.130 0.301 19635 2300 1 5 . 1 1 71 71 TYR CB C 71 36.524 36.524 36.411 0.113 19635 2301 1 5 . 1 1 71 71 TYR H H 71 8.387 8.387 8.152 0.235 19635 2302 1 5 . 1 1 72 72 VAL N N 72 113.636 113.636 122.238 -8.602 19635 2303 1 5 . 1 1 72 72 VAL HA H 72 4.010 4.010 3.906 0.104 19635 2304 1 5 . 1 1 72 72 VAL C C 72 176.989 176.989 176.672 0.317 19635 2305 1 5 . 1 1 72 72 VAL CA C 72 64.251 64.251 64.508 -0.257 19635 2306 1 5 . 1 1 72 72 VAL CB C 72 31.440 31.440 31.720 -0.280 19635 2307 1 5 . 1 1 72 72 VAL H H 72 7.239 7.239 7.770 -0.531 19635 2308 1 5 . 1 1 73 73 LEU N N 73 120.170 120.170 117.581 2.589 19635 2309 1 5 . 1 1 73 73 LEU HA H 73 4.487 4.487 4.372 0.115 19635 2310 1 5 . 1 1 73 73 LEU C C 73 176.927 176.927 175.430 1.497 19635 2311 1 5 . 1 1 73 73 LEU CA C 73 54.474 54.474 54.188 0.286 19635 2312 1 5 . 1 1 73 73 LEU CB C 73 41.819 41.819 40.732 1.087 19635 2313 1 5 . 1 1 73 73 LEU H H 73 8.765 8.765 8.084 0.681 19635 2314 1 5 . 1 1 74 74 ALA N N 74 122.084 122.084 121.616 0.468 19635 2315 1 5 . 1 1 74 74 ALA HA H 74 4.537 4.537 5.276 -0.739 19635 2316 1 5 . 1 1 74 74 ALA C C 74 177.516 177.516 176.004 1.512 19635 2317 1 5 . 1 1 74 74 ALA CA C 74 52.329 52.329 51.016 1.313 19635 2318 1 5 . 1 1 74 74 ALA CB C 74 21.065 21.065 21.731 -0.666 19635 2319 1 5 . 1 1 74 74 ALA H H 74 7.322 7.322 7.426 -0.104 19635 2320 1 5 . 1 1 75 75 ARG N N 75 118.061 118.061 121.476 -3.415 19635 2321 1 5 . 1 1 75 75 ARG HA H 75 4.606 4.606 4.829 -0.223 19635 2322 1 5 . 1 1 75 75 ARG C C 75 173.036 173.036 174.045 -1.009 19635 2323 1 5 . 1 1 75 75 ARG CA C 75 54.604 54.604 52.953 1.651 19635 2324 1 5 . 1 1 75 75 ARG CB C 75 34.037 34.037 35.096 -1.059 19635 2325 1 5 . 1 1 75 75 ARG H H 75 8.521 8.521 8.760 -0.239 19635 2326 1 5 . 1 1 76 76 ALA N N 76 122.847 122.847 121.523 1.324 19635 2327 1 5 . 1 1 76 76 ALA HA H 76 5.533 5.533 5.102 0.431 19635 2328 1 5 . 1 1 76 76 ALA C C 76 176.028 176.028 175.169 0.859 19635 2329 1 5 . 1 1 76 76 ALA CA C 76 50.219 50.219 50.805 -0.586 19635 2330 1 5 . 1 1 76 76 ALA CB C 76 22.464 22.464 21.885 0.579 19635 2331 1 5 . 1 1 76 76 ALA H H 76 8.553 8.553 8.532 0.021 19635 2332 1 5 . 1 1 77 77 PHE N N 77 117.410 117.410 118.884 -1.474 19635 2333 1 5 . 1 1 77 77 PHE HA H 77 4.922 4.922 5.092 -0.170 19635 2334 1 5 . 1 1 77 77 PHE C C 77 172.091 172.091 173.283 -1.192 19635 2335 1 5 . 1 1 77 77 PHE CA C 77 55.697 55.697 55.304 0.393 19635 2336 1 5 . 1 1 77 77 PHE CB C 77 41.637 41.637 41.964 -0.327 19635 2337 1 5 . 1 1 77 77 PHE H H 77 9.079 9.079 8.649 0.430 19635 2338 1 5 . 1 1 78 78 LEU N N 78 123.541 123.541 124.033 -0.492 19635 2339 1 5 . 1 1 78 78 LEU HA H 78 5.023 5.023 4.641 0.382 19635 2340 1 5 . 1 1 78 78 LEU C C 78 174.494 174.494 175.970 -1.476 19635 2341 1 5 . 1 1 78 78 LEU CA C 78 51.328 51.328 51.383 -0.055 19635 2342 1 5 . 1 1 78 78 LEU CB C 78 42.774 42.774 43.326 -0.552 19635 2343 1 5 . 1 1 78 78 LEU H H 78 9.031 9.031 8.864 0.167 19635 2344 1 5 . 1 1 79 79 PRO HA H 79 4.661 4.661 4.452 0.209 19635 2345 1 5 . 1 1 79 79 PRO C C 79 176.239 176.239 177.263 -1.024 19635 2346 1 5 . 1 1 79 79 PRO CA C 79 62.067 62.067 64.279 -2.212 19635 2347 1 5 . 1 1 79 79 PRO CB C 79 32.672 32.672 32.144 0.528 19635 2348 1 5 . 1 1 80 80 ALA N N 80 124.122 124.122 119.146 4.976 19635 2349 1 5 . 1 1 80 80 ALA HA H 80 4.379 4.379 3.683 0.696 19635 2350 1 5 . 1 1 80 80 ALA C C 80 177.807 177.807 178.920 -1.113 19635 2351 1 5 . 1 1 80 80 ALA CA C 80 53.291 53.291 54.276 -0.985 19635 2352 1 5 . 1 1 80 80 ALA CB C 80 17.692 17.692 17.392 0.300 19635 2353 1 5 . 1 1 80 80 ALA H H 80 8.488 8.488 8.055 0.433 19635 2354 1 5 . 1 1 81 81 GLN N N 81 118.018 118.018 116.631 1.387 19635 2355 1 5 . 1 1 81 81 GLN HA H 81 5.234 5.234 3.974 1.260 19635 2356 1 5 . 1 1 81 81 GLN C C 81 173.284 173.284 176.559 -3.275 19635 2357 1 5 . 1 1 81 81 GLN CA C 81 55.332 55.332 58.419 -3.087 19635 2358 1 5 . 1 1 81 81 GLN CB C 81 31.580 31.580 27.169 4.411 19635 2359 1 5 . 1 1 81 81 GLN H H 81 8.157 8.157 8.596 -0.439 19635 2360 1 5 . 1 1 83 83 ILE HA H 83 4.121 4.121 3.698 0.423 19635 2361 1 5 . 1 1 83 83 ILE C C 83 175.873 175.873 174.572 1.301 19635 2362 1 5 . 1 1 83 83 ILE CA C 83 62.249 62.249 62.245 0.004 19635 2363 1 5 . 1 1 83 83 ILE CB C 83 37.495 37.495 37.355 0.140 19635 2364 1 5 . 1 1 84 84 GLN N N 84 126.522 126.522 122.606 3.916 19635 2365 1 5 . 1 1 84 84 GLN HA H 84 4.111 4.111 4.433 -0.322 19635 2366 1 5 . 1 1 84 84 GLN C C 84 176.028 176.028 175.699 0.329 19635 2367 1 5 . 1 1 84 84 GLN CA C 84 61.521 61.521 54.628 6.893 19635 2368 1 5 . 1 1 84 84 GLN CB C 84 37.464 37.464 29.987 7.477 19635 2369 1 5 . 1 1 84 84 GLN H H 84 8.679 8.679 8.251 0.428 19635 2370 1 5 . 1 1 85 85 ASP HA H 85 4.488 4.488 4.406 0.082 19635 2371 1 5 . 1 1 85 85 ASP C C 85 176.709 176.709 176.317 0.392 19635 2372 1 5 . 1 1 85 85 ASP CA C 85 54.513 54.513 54.057 0.456 19635 2373 1 5 . 1 1 85 85 ASP CB C 85 40.643 40.643 40.121 0.522 19635 2374 1 5 . 1 1 86 86 GLY N N 86 104.397 104.397 112.888 -8.491 19635 2375 1 5 . 1 1 86 86 GLY C C 86 174.308 174.308 173.594 0.714 19635 2376 1 5 . 1 1 86 86 GLY CA C 86 46.323 46.323 45.017 1.306 19635 2377 1 5 . 1 1 86 86 GLY H H 86 8.310 8.310 7.927 0.383 19635 2378 1 5 . 1 1 87 87 THR N N 87 119.045 119.045 121.747 -2.702 19635 2379 1 5 . 1 1 87 87 THR HA H 87 4.670 4.670 4.898 -0.228 19635 2380 1 5 . 1 1 87 87 THR C C 87 172.943 172.943 173.799 -0.856 19635 2381 1 5 . 1 1 87 87 THR CA C 87 61.905 61.905 63.097 -1.192 19635 2382 1 5 . 1 1 87 87 THR CB C 87 68.779 68.779 68.952 -0.173 19635 2383 1 5 . 1 1 87 87 THR H H 87 7.877 7.877 7.853 0.024 19635 2384 1 5 . 1 1 88 88 VAL N N 88 127.859 127.859 120.412 7.447 19635 2385 1 5 . 1 1 88 88 VAL HA H 88 4.110 4.110 4.519 -0.409 19635 2386 1 5 . 1 1 88 88 VAL C C 88 174.463 174.463 174.212 0.251 19635 2387 1 5 . 1 1 88 88 VAL CA C 88 61.157 61.157 59.638 1.519 19635 2388 1 5 . 1 1 88 88 VAL CB C 88 33.237 33.237 33.560 -0.323 19635 2389 1 5 . 1 1 88 88 VAL H H 88 8.241 8.241 8.196 0.045 19635 2390 1 5 . 1 1 89 89 ARG N N 89 129.825 129.825 127.148 2.677 19635 2391 1 5 . 1 1 89 89 ARG HA H 89 5.234 5.234 5.355 -0.121 19635 2392 1 5 . 1 1 89 89 ARG C C 89 175.470 175.470 175.321 0.149 19635 2393 1 5 . 1 1 89 89 ARG CA C 89 55.357 55.357 54.868 0.489 19635 2394 1 5 . 1 1 89 89 ARG CB C 89 31.594 31.594 32.215 -0.621 19635 2395 1 5 . 1 1 89 89 ARG H H 89 9.541 9.541 8.621 0.920 19635 2396 1 5 . 1 1 90 90 ILE N N 90 123.428 123.428 125.858 -2.430 19635 2397 1 5 . 1 1 90 90 ILE HA H 90 4.299 4.299 4.262 0.037 19635 2398 1 5 . 1 1 90 90 ILE C C 90 174.106 174.106 174.313 -0.207 19635 2399 1 5 . 1 1 90 90 ILE CA C 90 60.444 60.444 60.212 0.232 19635 2400 1 5 . 1 1 90 90 ILE CB C 90 41.390 41.390 40.807 0.583 19635 2401 1 5 . 1 1 90 90 ILE H H 90 8.641 8.641 9.080 -0.439 19635 2402 1 5 . 1 1 91 91 GLU N N 91 126.760 126.760 127.010 -0.250 19635 2403 1 5 . 1 1 91 91 GLU HA H 91 4.903 4.903 5.104 -0.201 19635 2404 1 5 . 1 1 91 91 GLU C C 91 174.246 174.246 175.546 -1.300 19635 2405 1 5 . 1 1 91 91 GLU CA C 91 54.422 54.422 54.700 -0.278 19635 2406 1 5 . 1 1 91 91 GLU CB C 91 32.035 32.035 30.707 1.328 19635 2407 1 5 . 1 1 91 91 GLU H H 91 8.388 8.388 8.626 -0.238 19635 2408 1 5 . 1 1 92 92 VAL N N 92 122.222 122.222 125.135 -2.913 19635 2409 1 5 . 1 1 92 92 VAL HA H 92 4.385 4.385 3.968 0.417 19635 2410 1 5 . 1 1 92 92 VAL C C 92 174.835 174.835 174.537 0.298 19635 2411 1 5 . 1 1 92 92 VAL CA C 92 61.066 61.066 62.050 -0.984 19635 2412 1 5 . 1 1 92 92 VAL CB C 92 33.946 33.946 32.444 1.502 19635 2413 1 5 . 1 1 92 92 VAL H H 92 8.790 8.790 8.849 -0.059 19635 2414 1 5 . 1 1 93 93 LEU N N 93 128.617 128.617 129.585 -0.968 19635 2415 1 5 . 1 1 93 93 LEU HA H 93 4.812 4.812 4.807 0.005 19635 2416 1 5 . 1 1 93 93 LEU C C 93 176.540 176.540 175.975 0.565 19635 2417 1 5 . 1 1 93 93 LEU CA C 93 53.148 53.148 53.407 -0.259 19635 2418 1 5 . 1 1 93 93 LEU CB C 93 43.229 43.229 42.933 0.296 19635 2419 1 5 . 1 1 93 93 LEU H H 93 8.980 8.980 9.023 -0.043 19635 2420 1 5 . 1 1 94 94 GLU N N 94 123.476 123.476 125.833 -2.357 19635 2421 1 5 . 1 1 94 94 GLU HA H 94 3.821 3.821 4.115 -0.294 19635 2422 1 5 . 1 1 94 94 GLU C C 94 175.408 175.408 176.127 -0.719 19635 2423 1 5 . 1 1 94 94 GLU CA C 94 57.797 57.797 56.861 0.936 19635 2424 1 5 . 1 1 94 94 GLU CB C 94 29.676 29.676 29.932 -0.256 19635 2425 1 5 . 1 1 94 94 GLU H H 94 8.930 8.930 8.620 0.310 19635 2426 1 6 . 1 1 8 8 HIS HA H 8 4.637 4.637 4.769 -0.132 19635 2427 1 6 . 1 1 8 8 HIS C C 8 174.897 174.897 173.814 1.083 19635 2428 1 6 . 1 1 8 8 HIS CA C 8 56.534 56.534 54.952 1.582 19635 2429 1 6 . 1 1 8 8 HIS CB C 8 31.030 31.030 28.986 2.044 19635 2430 1 6 . 1 1 9 9 VAL N N 9 121.834 121.834 121.745 0.089 19635 2431 1 6 . 1 1 9 9 VAL HA H 9 4.111 4.111 4.131 -0.020 19635 2432 1 6 . 1 1 9 9 VAL C C 9 175.486 175.486 175.790 -0.304 19635 2433 1 6 . 1 1 9 9 VAL CA C 9 62.115 62.115 63.121 -1.006 19635 2434 1 6 . 1 1 9 9 VAL CB C 9 33.036 33.036 31.414 1.622 19635 2435 1 6 . 1 1 9 9 VAL H H 9 7.998 7.998 7.886 0.112 19635 2436 1 6 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.851 -0.268 19635 2437 1 6 . 1 1 10 10 ASP CA C 10 54.510 54.510 53.427 1.083 19635 2438 1 6 . 1 1 10 10 ASP CB C 10 41.545 41.545 44.321 -2.776 19635 2439 1 6 . 1 1 11 11 ASP HA H 11 4.583 4.583 4.377 0.206 19635 2440 1 6 . 1 1 11 11 ASP C C 11 176.012 176.012 177.204 -1.192 19635 2441 1 6 . 1 1 11 11 ASP CA C 11 54.692 54.692 56.003 -1.311 19635 2442 1 6 . 1 1 11 11 ASP CB C 11 41.545 41.545 41.508 0.037 19635 2443 1 6 . 1 1 12 12 ASP N N 12 120.751 120.751 117.466 3.285 19635 2444 1 6 . 1 1 12 12 ASP HA H 12 4.581 4.581 4.257 0.324 19635 2445 1 6 . 1 1 12 12 ASP C C 12 176.385 176.385 175.503 0.882 19635 2446 1 6 . 1 1 12 12 ASP CA C 12 54.695 54.695 56.361 -1.666 19635 2447 1 6 . 1 1 12 12 ASP CB C 12 41.363 41.363 40.547 0.816 19635 2448 1 6 . 1 1 12 12 ASP H H 12 8.249 8.249 8.178 0.071 19635 2449 1 6 . 1 1 13 13 ASP N N 13 120.536 120.536 120.006 0.530 19635 2450 1 6 . 1 1 13 13 ASP HA H 13 4.576 4.576 4.624 -0.048 19635 2451 1 6 . 1 1 13 13 ASP C C 13 176.818 176.818 174.635 2.183 19635 2452 1 6 . 1 1 13 13 ASP CA C 13 54.877 54.877 54.436 0.441 19635 2453 1 6 . 1 1 13 13 ASP CB C 13 41.318 41.318 41.487 -0.169 19635 2454 1 6 . 1 1 13 13 ASP H H 13 8.291 8.291 8.147 0.144 19635 2455 1 6 . 1 1 14 14 LYS N N 14 120.496 120.496 127.313 -6.817 19635 2456 1 6 . 1 1 14 14 LYS HA H 14 4.303 4.303 4.314 -0.011 19635 2457 1 6 . 1 1 14 14 LYS C C 14 177.190 177.190 175.165 2.025 19635 2458 1 6 . 1 1 14 14 LYS CA C 14 56.788 56.788 56.041 0.747 19635 2459 1 6 . 1 1 14 14 LYS CB C 14 32.399 32.399 31.308 1.091 19635 2460 1 6 . 1 1 14 14 LYS H H 14 8.181 8.181 8.263 -0.082 19635 2461 1 6 . 1 1 15 15 MET N N 15 119.518 119.518 123.344 -3.826 19635 2462 1 6 . 1 1 15 15 MET HA H 15 4.546 4.546 4.631 -0.085 19635 2463 1 6 . 1 1 15 15 MET C C 15 176.881 176.881 176.602 0.279 19635 2464 1 6 . 1 1 15 15 MET CA C 15 55.696 55.696 54.501 1.195 19635 2465 1 6 . 1 1 15 15 MET CB C 15 32.490 32.490 33.674 -1.184 19635 2466 1 6 . 1 1 15 15 MET H H 15 8.276 8.276 8.205 0.071 19635 2467 1 6 . 1 1 16 16 GLY N N 16 109.506 109.506 109.141 0.365 19635 2468 1 6 . 1 1 16 16 GLY C C 16 174.432 174.432 173.713 0.719 19635 2469 1 6 . 1 1 16 16 GLY CA C 16 45.498 45.498 45.084 0.414 19635 2470 1 6 . 1 1 16 16 GLY H H 16 8.373 8.373 8.818 -0.445 19635 2471 1 6 . 1 1 17 17 GLY N N 17 108.711 108.711 106.829 1.882 19635 2472 1 6 . 1 1 17 17 GLY C C 17 171.409 171.409 171.471 -0.062 19635 2473 1 6 . 1 1 17 17 GLY CA C 17 44.685 44.685 44.610 0.075 19635 2474 1 6 . 1 1 17 17 GLY H H 17 8.116 8.116 7.529 0.587 19635 2475 1 6 . 1 1 18 18 PRO HA H 18 4.744 4.744 4.389 0.355 19635 2476 1 6 . 1 1 18 18 PRO C C 18 176.462 176.462 176.412 0.050 19635 2477 1 6 . 1 1 18 18 PRO CA C 18 62.795 62.795 62.999 -0.204 19635 2478 1 6 . 1 1 18 18 PRO CB C 18 35.220 35.220 32.318 2.902 19635 2479 1 6 . 1 1 19 19 THR N N 19 111.524 111.524 112.240 -0.716 19635 2480 1 6 . 1 1 19 19 THR HA H 19 4.744 4.744 4.564 0.180 19635 2481 1 6 . 1 1 19 19 THR C C 19 173.827 173.827 174.164 -0.337 19635 2482 1 6 . 1 1 19 19 THR CA C 19 59.988 59.988 60.670 -0.682 19635 2483 1 6 . 1 1 19 19 THR CB C 19 71.622 71.622 70.074 1.548 19635 2484 1 6 . 1 1 19 19 THR H H 19 8.229 8.229 8.293 -0.064 19635 2485 1 6 . 1 1 20 20 VAL N N 20 119.259 119.259 125.232 -5.973 19635 2486 1 6 . 1 1 20 20 VAL HA H 20 4.378 4.378 4.251 0.127 19635 2487 1 6 . 1 1 20 20 VAL C C 20 173.718 173.718 174.548 -0.830 19635 2488 1 6 . 1 1 20 20 VAL CA C 20 59.714 59.714 60.325 -0.611 19635 2489 1 6 . 1 1 20 20 VAL CB C 20 35.482 35.482 33.359 2.123 19635 2490 1 6 . 1 1 20 20 VAL H H 20 8.740 8.740 9.145 -0.405 19635 2491 1 6 . 1 1 21 21 LEU N N 21 127.557 127.557 130.454 -2.897 19635 2492 1 6 . 1 1 21 21 LEU HA H 21 4.427 4.427 4.437 -0.010 19635 2493 1 6 . 1 1 21 21 LEU C C 21 175.362 175.362 175.605 -0.243 19635 2494 1 6 . 1 1 21 21 LEU CA C 21 54.604 54.604 55.027 -0.423 19635 2495 1 6 . 1 1 21 21 LEU CB C 21 40.720 40.720 42.034 -1.314 19635 2496 1 6 . 1 1 21 21 LEU H H 21 8.229 8.229 8.683 -0.454 19635 2497 1 6 . 1 1 22 22 VAL N N 22 128.501 128.501 126.877 1.624 19635 2498 1 6 . 1 1 22 22 VAL HA H 22 3.648 3.648 3.885 -0.237 19635 2499 1 6 . 1 1 22 22 VAL C C 22 175.346 175.346 175.221 0.125 19635 2500 1 6 . 1 1 22 22 VAL CA C 22 63.146 63.146 62.626 0.520 19635 2501 1 6 . 1 1 22 22 VAL CB C 22 32.151 32.151 31.706 0.445 19635 2502 1 6 . 1 1 22 22 VAL H H 22 8.132 8.132 8.530 -0.398 19635 2503 1 6 . 1 1 23 23 LYS N N 23 127.302 127.302 128.941 -1.639 19635 2504 1 6 . 1 1 23 23 LYS HA H 23 4.420 4.420 4.549 -0.129 19635 2505 1 6 . 1 1 23 23 LYS C C 23 176.385 176.385 176.034 0.351 19635 2506 1 6 . 1 1 23 23 LYS CA C 23 56.975 56.975 56.917 0.058 19635 2507 1 6 . 1 1 23 23 LYS CB C 23 34.150 34.150 34.344 -0.195 19635 2508 1 6 . 1 1 23 23 LYS H H 23 9.694 9.694 9.022 0.672 19635 2509 1 6 . 1 1 24 24 ARG N N 24 114.443 114.443 116.605 -2.162 19635 2510 1 6 . 1 1 24 24 ARG HA H 24 4.468 4.468 4.628 -0.160 19635 2511 1 6 . 1 1 24 24 ARG C C 24 172.401 172.401 173.747 -1.346 19635 2512 1 6 . 1 1 24 24 ARG CA C 24 54.596 54.596 55.416 -0.820 19635 2513 1 6 . 1 1 24 24 ARG CB C 24 32.125 32.125 32.660 -0.535 19635 2514 1 6 . 1 1 24 24 ARG H H 24 7.735 7.735 7.787 -0.052 19635 2515 1 6 . 1 1 25 25 PHE N N 25 117.669 117.669 118.787 -1.118 19635 2516 1 6 . 1 1 25 25 PHE HA H 25 5.561 5.561 5.258 0.303 19635 2517 1 6 . 1 1 25 25 PHE C C 25 174.618 174.618 175.457 -0.839 19635 2518 1 6 . 1 1 25 25 PHE CA C 25 56.333 56.333 56.826 -0.493 19635 2519 1 6 . 1 1 25 25 PHE CB C 25 42.319 42.319 40.998 1.321 19635 2520 1 6 . 1 1 25 25 PHE H H 25 8.550 8.550 8.624 -0.074 19635 2521 1 6 . 1 1 26 26 GLN N N 26 121.215 121.215 122.800 -1.585 19635 2522 1 6 . 1 1 26 26 GLN HA H 26 4.576 4.576 4.879 -0.303 19635 2523 1 6 . 1 1 26 26 GLN C C 26 173.904 173.904 174.411 -0.507 19635 2524 1 6 . 1 1 26 26 GLN CA C 26 54.695 54.695 54.418 0.277 19635 2525 1 6 . 1 1 26 26 GLN CB C 26 32.077 32.077 32.327 -0.250 19635 2526 1 6 . 1 1 26 26 GLN H H 26 8.926 8.926 9.261 -0.335 19635 2527 1 6 . 1 1 27 27 LEU N N 27 126.971 126.971 128.180 -1.209 19635 2528 1 6 . 1 1 27 27 LEU HA H 27 5.285 5.285 5.308 -0.023 19635 2529 1 6 . 1 1 27 27 LEU C C 27 177.098 177.098 176.530 0.568 19635 2530 1 6 . 1 1 27 27 LEU CA C 27 53.512 53.512 53.440 0.072 19635 2531 1 6 . 1 1 27 27 LEU CB C 27 44.048 44.048 42.931 1.117 19635 2532 1 6 . 1 1 27 27 LEU H H 27 8.906 8.906 9.668 -0.762 19635 2533 1 6 . 1 1 28 28 SER N N 28 114.562 114.562 117.101 -2.539 19635 2534 1 6 . 1 1 28 28 SER HA H 28 4.866 4.866 4.701 0.165 19635 2535 1 6 . 1 1 28 28 SER C C 28 173.811 173.811 174.530 -0.719 19635 2536 1 6 . 1 1 28 28 SER CA C 28 57.249 57.249 56.621 0.628 19635 2537 1 6 . 1 1 28 28 SER CB C 28 65.161 65.161 64.253 0.908 19635 2538 1 6 . 1 1 28 28 SER H H 28 8.114 8.114 8.891 -0.777 19635 2539 1 6 . 1 1 29 29 GLY N N 29 112.273 112.273 113.922 -1.649 19635 2540 1 6 . 1 1 29 29 GLY C C 29 173.548 173.548 173.337 0.211 19635 2541 1 6 . 1 1 29 29 GLY CA C 29 45.235 45.235 45.276 -0.041 19635 2542 1 6 . 1 1 29 29 GLY H H 29 8.714 8.714 8.878 -0.164 19635 2543 1 6 . 1 1 30 30 ASN N N 30 114.106 114.106 118.264 -4.158 19635 2544 1 6 . 1 1 30 30 ASN HA H 30 4.536 4.536 4.707 -0.171 19635 2545 1 6 . 1 1 30 30 ASN C C 30 174.804 174.804 175.077 -0.273 19635 2546 1 6 . 1 1 30 30 ASN CA C 30 53.876 53.876 53.117 0.759 19635 2547 1 6 . 1 1 30 30 ASN CB C 30 37.495 37.495 37.636 -0.141 19635 2548 1 6 . 1 1 30 30 ASN H H 30 9.436 9.436 8.100 1.336 19635 2549 1 6 . 1 1 31 31 ARG N N 31 124.382 124.382 124.157 0.225 19635 2550 1 6 . 1 1 31 31 ARG HA H 31 4.408 4.408 4.468 -0.060 19635 2551 1 6 . 1 1 31 31 ARG C C 31 177.656 177.656 177.128 0.528 19635 2552 1 6 . 1 1 31 31 ARG CA C 31 57.066 57.066 56.815 0.251 19635 2553 1 6 . 1 1 31 31 ARG CB C 31 32.689 32.689 30.888 1.801 19635 2554 1 6 . 1 1 31 31 ARG H H 31 9.427 9.427 9.590 -0.163 19635 2555 1 6 . 1 1 32 32 GLN N N 32 122.307 122.307 119.816 2.491 19635 2556 1 6 . 1 1 32 32 GLN HA H 32 3.804 3.804 3.990 -0.186 19635 2557 1 6 . 1 1 32 32 GLN C C 32 175.005 175.005 175.714 -0.709 19635 2558 1 6 . 1 1 32 32 GLN CA C 32 57.243 57.243 57.361 -0.118 19635 2559 1 6 . 1 1 32 32 GLN CB C 32 28.850 28.850 29.091 -0.241 19635 2560 1 6 . 1 1 32 32 GLN H H 32 10.333 10.333 9.074 1.259 19635 2561 1 6 . 1 1 33 33 PHE N N 33 110.633 110.633 117.804 -7.171 19635 2562 1 6 . 1 1 33 33 PHE HA H 33 4.815 4.815 4.679 0.136 19635 2563 1 6 . 1 1 33 33 PHE C C 33 174.215 174.215 174.678 -0.463 19635 2564 1 6 . 1 1 33 33 PHE CA C 33 55.514 55.514 56.515 -1.001 19635 2565 1 6 . 1 1 33 33 PHE CB C 33 43.006 43.006 41.745 1.261 19635 2566 1 6 . 1 1 33 33 PHE H H 33 6.698 6.698 7.612 -0.914 19635 2567 1 6 . 1 1 34 34 ASP N N 34 120.588 120.588 120.068 0.520 19635 2568 1 6 . 1 1 34 34 ASP HA H 34 4.547 4.547 4.713 -0.166 19635 2569 1 6 . 1 1 34 34 ASP C C 34 175.253 175.253 176.382 -1.129 19635 2570 1 6 . 1 1 34 34 ASP CA C 34 52.684 52.684 52.829 -0.145 19635 2571 1 6 . 1 1 34 34 ASP CB C 34 42.276 42.276 43.401 -1.125 19635 2572 1 6 . 1 1 34 34 ASP H H 34 8.477 8.477 8.456 0.021 19635 2573 1 6 . 1 1 35 35 ASP N N 35 118.353 118.353 121.223 -2.870 19635 2574 1 6 . 1 1 35 35 ASP HA H 35 4.022 4.022 4.234 -0.212 19635 2575 1 6 . 1 1 35 35 ASP C C 35 177.826 177.826 178.111 -0.285 19635 2576 1 6 . 1 1 35 35 ASP CA C 35 57.607 57.607 59.151 -1.544 19635 2577 1 6 . 1 1 35 35 ASP CB C 35 39.771 39.771 40.870 -1.099 19635 2578 1 6 . 1 1 35 35 ASP H H 35 8.507 8.507 8.782 -0.275 19635 2579 1 6 . 1 1 36 36 ARG N N 36 117.028 117.028 119.504 -2.476 19635 2580 1 6 . 1 1 36 36 ARG HA H 36 3.873 3.873 3.928 -0.055 19635 2581 1 6 . 1 1 36 36 ARG C C 36 179.206 179.206 178.472 0.734 19635 2582 1 6 . 1 1 36 36 ARG CA C 36 59.610 59.610 59.050 0.560 19635 2583 1 6 . 1 1 36 36 ARG CB C 36 29.422 29.422 30.336 -0.914 19635 2584 1 6 . 1 1 36 36 ARG H H 36 8.111 8.111 8.061 0.050 19635 2585 1 6 . 1 1 37 37 ARG N N 37 119.265 119.265 119.584 -0.319 19635 2586 1 6 . 1 1 37 37 ARG HA H 37 4.020 4.020 4.094 -0.074 19635 2587 1 6 . 1 1 37 37 ARG C C 37 177.950 177.950 179.177 -1.227 19635 2588 1 6 . 1 1 37 37 ARG CA C 37 57.698 57.698 58.470 -0.772 19635 2589 1 6 . 1 1 37 37 ARG CB C 37 30.124 30.124 29.625 0.499 19635 2590 1 6 . 1 1 37 37 ARG H H 37 7.826 7.826 8.091 -0.265 19635 2591 1 6 . 1 1 38 38 LEU N N 38 115.462 115.462 119.964 -4.502 19635 2592 1 6 . 1 1 38 38 LEU HA H 38 3.819 3.819 3.825 -0.006 19635 2593 1 6 . 1 1 38 38 LEU C C 38 179.067 179.067 179.299 -0.232 19635 2594 1 6 . 1 1 38 38 LEU CA C 38 56.333 56.333 56.444 -0.112 19635 2595 1 6 . 1 1 38 38 LEU CB C 38 42.046 42.046 40.864 1.182 19635 2596 1 6 . 1 1 38 38 LEU H H 38 7.365 7.365 7.886 -0.521 19635 2597 1 6 . 1 1 39 39 LEU N N 39 117.922 117.922 120.773 -2.851 19635 2598 1 6 . 1 1 39 39 LEU HA H 39 3.823 3.823 3.828 -0.005 19635 2599 1 6 . 1 1 39 39 LEU C C 39 181.051 181.051 178.809 2.242 19635 2600 1 6 . 1 1 39 39 LEU CA C 39 57.607 57.607 57.510 0.097 19635 2601 1 6 . 1 1 39 39 LEU CB C 39 41.089 41.089 40.595 0.494 19635 2602 1 6 . 1 1 39 39 LEU H H 39 9.081 9.081 8.680 0.401 19635 2603 1 6 . 1 1 40 40 ALA N N 40 121.136 121.136 121.143 -0.007 19635 2604 1 6 . 1 1 40 40 ALA HA H 40 4.077 4.077 4.034 0.043 19635 2605 1 6 . 1 1 40 40 ALA C C 40 180.059 180.059 179.752 0.307 19635 2606 1 6 . 1 1 40 40 ALA CA C 40 54.514 54.514 54.450 0.064 19635 2607 1 6 . 1 1 40 40 ALA CB C 40 17.716 17.716 18.188 -0.472 19635 2608 1 6 . 1 1 40 40 ALA H H 40 7.266 7.266 7.551 -0.285 19635 2609 1 6 . 1 1 41 41 LEU N N 41 115.253 115.253 118.212 -2.959 19635 2610 1 6 . 1 1 41 41 LEU HA H 41 4.128 4.128 4.060 0.068 19635 2611 1 6 . 1 1 41 41 LEU C C 41 177.966 177.966 177.254 0.712 19635 2612 1 6 . 1 1 41 41 LEU CA C 41 55.971 55.971 57.342 -1.371 19635 2613 1 6 . 1 1 41 41 LEU CB C 41 42.093 42.093 42.161 -0.068 19635 2614 1 6 . 1 1 41 41 LEU H H 41 7.215 7.215 7.532 -0.317 19635 2615 1 6 . 1 1 42 42 LEU N N 42 116.365 116.365 115.421 0.944 19635 2616 1 6 . 1 1 42 42 LEU HA H 42 4.298 4.298 4.465 -0.167 19635 2617 1 6 . 1 1 42 42 LEU C C 42 177.842 177.842 177.492 0.350 19635 2618 1 6 . 1 1 42 42 LEU CA C 42 53.232 53.232 51.786 1.446 19635 2619 1 6 . 1 1 42 42 LEU CB C 42 41.955 41.955 38.476 3.479 19635 2620 1 6 . 1 1 42 42 LEU H H 42 7.392 7.392 7.759 -0.367 19635 2621 1 6 . 1 1 43 43 HIS N N 43 117.222 117.222 119.621 -2.399 19635 2622 1 6 . 1 1 43 43 HIS HA H 43 4.279 4.279 4.230 0.049 19635 2623 1 6 . 1 1 43 43 HIS C C 43 174.494 174.494 175.383 -0.889 19635 2624 1 6 . 1 1 43 43 HIS CA C 43 59.428 59.428 58.967 0.461 19635 2625 1 6 . 1 1 43 43 HIS CB C 43 31.216 31.216 29.431 1.784 19635 2626 1 6 . 1 1 43 43 HIS H H 43 7.012 7.012 7.539 -0.527 19635 2627 1 6 . 1 1 44 44 ASP N N 44 116.296 116.296 116.691 -0.395 19635 2628 1 6 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.327 0.011 19635 2629 1 6 . 1 1 44 44 ASP C C 44 176.385 176.385 175.903 0.482 19635 2630 1 6 . 1 1 44 44 ASP CA C 44 53.785 53.785 53.899 -0.114 19635 2631 1 6 . 1 1 44 44 ASP CB C 44 38.989 38.989 40.437 -1.448 19635 2632 1 6 . 1 1 44 44 ASP H H 44 9.235 9.235 7.955 1.280 19635 2633 1 6 . 1 1 45 45 LEU N N 45 119.937 119.937 120.931 -0.994 19635 2634 1 6 . 1 1 45 45 LEU HA H 45 4.212 4.212 4.682 -0.470 19635 2635 1 6 . 1 1 45 45 LEU C C 45 173.563 173.563 175.259 -1.696 19635 2636 1 6 . 1 1 45 45 LEU CA C 45 57.881 57.881 56.250 1.631 19635 2637 1 6 . 1 1 45 45 LEU CB C 45 41.955 41.955 40.869 1.086 19635 2638 1 6 . 1 1 45 45 LEU H H 45 7.866 7.866 7.892 -0.026 19635 2639 1 6 . 1 1 46 46 PRO HA H 46 3.992 3.992 4.321 -0.329 19635 2640 1 6 . 1 1 46 46 PRO C C 46 177.160 177.160 177.469 -0.309 19635 2641 1 6 . 1 1 46 46 PRO CA C 46 65.036 65.036 62.851 2.185 19635 2642 1 6 . 1 1 46 46 PRO CB C 46 29.032 29.032 32.638 -3.606 19635 2643 1 6 . 1 1 47 47 GLY N N 47 111.431 111.431 108.619 2.812 19635 2644 1 6 . 1 1 47 47 GLY C C 47 173.827 173.827 173.087 0.740 19635 2645 1 6 . 1 1 47 47 GLY CA C 47 44.685 44.685 45.006 -0.321 19635 2646 1 6 . 1 1 47 47 GLY H H 47 9.411 9.411 8.846 0.565 19635 2647 1 6 . 1 1 48 48 GLN N N 48 117.897 117.897 118.041 -0.144 19635 2648 1 6 . 1 1 48 48 GLN HA H 48 4.507 4.507 4.478 0.029 19635 2649 1 6 . 1 1 48 48 GLN C C 48 174.525 174.525 173.648 0.877 19635 2650 1 6 . 1 1 48 48 GLN CA C 48 54.695 54.695 54.299 0.396 19635 2651 1 6 . 1 1 48 48 GLN CB C 48 31.034 31.034 33.101 -2.067 19635 2652 1 6 . 1 1 48 48 GLN H H 48 7.871 7.871 7.522 0.349 19635 2653 1 6 . 1 1 49 49 GLU N N 49 120.443 120.443 121.736 -1.293 19635 2654 1 6 . 1 1 49 49 GLU HA H 49 4.815 4.815 4.479 0.336 19635 2655 1 6 . 1 1 49 49 GLU C C 49 175.672 175.672 175.575 0.097 19635 2656 1 6 . 1 1 49 49 GLU CA C 49 55.423 55.423 55.916 -0.493 19635 2657 1 6 . 1 1 49 49 GLU CB C 49 30.224 30.224 29.979 0.245 19635 2658 1 6 . 1 1 49 49 GLU H H 49 8.369 8.369 8.617 -0.248 19635 2659 1 6 . 1 1 50 50 LEU N N 50 125.608 125.608 125.905 -0.297 19635 2660 1 6 . 1 1 50 50 LEU HA H 50 5.010 5.010 4.870 0.140 19635 2661 1 6 . 1 1 50 50 LEU C C 50 176.338 176.338 177.267 -0.929 19635 2662 1 6 . 1 1 50 50 LEU CA C 50 53.232 53.232 52.757 0.475 19635 2663 1 6 . 1 1 50 50 LEU CB C 50 45.413 45.413 42.190 3.223 19635 2664 1 6 . 1 1 50 50 LEU H H 50 8.663 8.663 7.911 0.752 19635 2665 1 6 . 1 1 51 51 ASN N N 51 118.769 118.769 120.438 -1.669 19635 2666 1 6 . 1 1 51 51 ASN HA H 51 5.183 5.183 5.276 -0.093 19635 2667 1 6 . 1 1 51 51 ASN C C 51 176.013 176.013 176.992 -0.979 19635 2668 1 6 . 1 1 51 51 ASN CA C 51 50.600 50.600 51.995 -1.395 19635 2669 1 6 . 1 1 51 51 ASN CB C 51 39.407 39.407 40.148 -0.740 19635 2670 1 6 . 1 1 51 51 ASN H H 51 8.897 8.897 9.209 -0.312 19635 2671 1 6 . 1 1 52 52 LEU N N 52 118.818 118.818 119.531 -0.713 19635 2672 1 6 . 1 1 52 52 LEU HA H 52 4.041 4.041 4.006 0.035 19635 2673 1 6 . 1 1 52 52 LEU C C 52 179.036 179.036 178.587 0.449 19635 2674 1 6 . 1 1 52 52 LEU CA C 52 58.609 58.609 58.309 0.300 19635 2675 1 6 . 1 1 52 52 LEU CB C 52 41.773 41.773 40.431 1.342 19635 2676 1 6 . 1 1 52 52 LEU H H 52 8.585 8.585 8.200 0.385 19635 2677 1 6 . 1 1 53 53 SER N N 53 115.007 115.007 114.244 0.763 19635 2678 1 6 . 1 1 53 53 SER HA H 53 4.358 4.358 3.969 0.389 19635 2679 1 6 . 1 1 53 53 SER C C 53 178.307 178.307 177.235 1.072 19635 2680 1 6 . 1 1 53 53 SER CA C 53 62.270 62.270 61.593 0.677 19635 2681 1 6 . 1 1 53 53 SER CB C 53 62.340 62.340 62.811 -0.471 19635 2682 1 6 . 1 1 53 53 SER H H 53 8.385 8.385 8.051 0.334 19635 2683 1 6 . 1 1 54 54 GLN N N 54 122.316 122.316 120.818 1.498 19635 2684 1 6 . 1 1 54 54 GLN HA H 54 4.219 4.219 3.998 0.221 19635 2685 1 6 . 1 1 54 54 GLN C C 54 179.361 179.361 178.439 0.922 19635 2686 1 6 . 1 1 54 54 GLN CA C 54 58.618 58.618 58.392 0.227 19635 2687 1 6 . 1 1 54 54 GLN CB C 54 29.942 29.942 28.694 1.248 19635 2688 1 6 . 1 1 54 54 GLN H H 54 8.478 8.478 8.004 0.474 19635 2689 1 6 . 1 1 55 55 LEU N N 55 122.348 122.348 120.126 2.222 19635 2690 1 6 . 1 1 55 55 LEU HA H 55 4.209 4.209 3.960 0.249 19635 2691 1 6 . 1 1 55 55 LEU C C 55 178.989 178.989 179.076 -0.087 19635 2692 1 6 . 1 1 55 55 LEU CA C 55 57.972 57.972 58.432 -0.460 19635 2693 1 6 . 1 1 55 55 LEU CB C 55 41.910 41.910 41.790 0.120 19635 2694 1 6 . 1 1 55 55 LEU H H 55 8.354 8.354 7.875 0.479 19635 2695 1 6 . 1 1 56 56 HIS N N 56 119.481 119.481 115.419 4.062 19635 2696 1 6 . 1 1 56 56 HIS HA H 56 4.358 4.358 4.452 -0.094 19635 2697 1 6 . 1 1 56 56 HIS C C 56 179.671 179.671 177.168 2.503 19635 2698 1 6 . 1 1 56 56 HIS CA C 56 60.757 60.757 58.165 2.592 19635 2699 1 6 . 1 1 56 56 HIS CB C 56 30.670 30.670 28.818 1.852 19635 2700 1 6 . 1 1 56 56 HIS H H 56 8.592 8.592 7.995 0.597 19635 2701 1 6 . 1 1 57 57 ALA N N 57 122.582 122.582 121.876 0.706 19635 2702 1 6 . 1 1 57 57 ALA HA H 57 4.289 4.289 4.031 0.258 19635 2703 1 6 . 1 1 57 57 ALA C C 57 179.919 179.919 179.185 0.734 19635 2704 1 6 . 1 1 57 57 ALA CA C 57 54.877 54.877 54.709 0.168 19635 2705 1 6 . 1 1 57 57 ALA CB C 57 17.716 17.716 17.779 -0.063 19635 2706 1 6 . 1 1 57 57 ALA H H 57 8.091 8.091 7.433 0.658 19635 2707 1 6 . 1 1 58 58 ALA N N 58 122.641 122.641 120.675 1.966 19635 2708 1 6 . 1 1 58 58 ALA HA H 58 3.812 3.812 3.949 -0.137 19635 2709 1 6 . 1 1 58 58 ALA C C 58 178.570 178.570 178.966 -0.396 19635 2710 1 6 . 1 1 58 58 ALA CA C 58 55.149 55.149 54.770 0.379 19635 2711 1 6 . 1 1 58 58 ALA CB C 58 17.677 17.677 18.502 -0.825 19635 2712 1 6 . 1 1 58 58 ALA H H 58 7.835 7.835 7.561 0.274 19635 2713 1 6 . 1 1 59 59 ALA N N 59 117.349 117.349 120.353 -3.004 19635 2714 1 6 . 1 1 59 59 ALA HA H 59 3.802 3.802 4.083 -0.281 19635 2715 1 6 . 1 1 59 59 ALA C C 59 179.360 179.360 179.383 -0.023 19635 2716 1 6 . 1 1 59 59 ALA CA C 59 55.149 55.149 54.667 0.482 19635 2717 1 6 . 1 1 59 59 ALA CB C 59 17.509 17.509 18.299 -0.790 19635 2718 1 6 . 1 1 59 59 ALA H H 59 7.390 7.390 7.559 -0.169 19635 2719 1 6 . 1 1 60 60 ALA N N 60 119.393 119.393 120.899 -1.506 19635 2720 1 6 . 1 1 60 60 ALA HA H 60 4.279 4.279 4.062 0.217 19635 2721 1 6 . 1 1 60 60 ALA C C 60 179.315 179.315 179.470 -0.155 19635 2722 1 6 . 1 1 60 60 ALA CA C 60 54.644 54.644 55.175 -0.530 19635 2723 1 6 . 1 1 60 60 ALA CB C 60 17.625 17.625 18.519 -0.894 19635 2724 1 6 . 1 1 60 60 ALA H H 60 7.944 7.944 7.865 0.079 19635 2725 1 6 . 1 1 61 61 ARG N N 61 116.621 116.621 118.612 -1.991 19635 2726 1 6 . 1 1 61 61 ARG HA H 61 4.229 4.229 4.053 0.176 19635 2727 1 6 . 1 1 61 61 ARG C C 61 180.214 180.214 178.906 1.308 19635 2728 1 6 . 1 1 61 61 ARG CA C 61 59.519 59.519 59.449 0.070 19635 2729 1 6 . 1 1 61 61 ARG CB C 61 31.216 31.216 29.866 1.350 19635 2730 1 6 . 1 1 61 61 ARG H H 61 7.739 7.739 7.719 0.020 19635 2731 1 6 . 1 1 62 62 ILE N N 62 117.642 117.642 118.613 -0.971 19635 2732 1 6 . 1 1 62 62 ILE HA H 62 3.742 3.742 3.976 -0.234 19635 2733 1 6 . 1 1 62 62 ILE C C 62 178.214 178.214 177.927 0.287 19635 2734 1 6 . 1 1 62 62 ILE CA C 62 63.705 63.705 64.007 -0.302 19635 2735 1 6 . 1 1 62 62 ILE CB C 62 36.221 36.221 37.585 -1.364 19635 2736 1 6 . 1 1 62 62 ILE H H 62 7.315 7.315 7.227 0.088 19635 2737 1 6 . 1 1 63 63 GLY N N 63 107.326 107.326 108.877 -1.551 19635 2738 1 6 . 1 1 63 63 GLY C C 63 176.152 176.152 175.670 0.482 19635 2739 1 6 . 1 1 63 63 GLY CA C 63 47.975 47.975 47.658 0.316 19635 2740 1 6 . 1 1 63 63 GLY H H 63 7.862 7.862 8.573 -0.711 19635 2741 1 6 . 1 1 64 64 ASP N N 64 121.729 121.729 122.573 -0.844 19635 2742 1 6 . 1 1 64 64 ASP HA H 64 4.447 4.447 4.470 -0.023 19635 2743 1 6 . 1 1 64 64 ASP C C 64 178.338 178.338 177.781 0.557 19635 2744 1 6 . 1 1 64 64 ASP CA C 64 57.516 57.516 57.361 0.155 19635 2745 1 6 . 1 1 64 64 ASP CB C 64 40.135 40.135 40.975 -0.840 19635 2746 1 6 . 1 1 64 64 ASP H H 64 8.899 8.899 8.483 0.416 19635 2747 1 6 . 1 1 65 65 PHE N N 65 122.347 122.347 121.780 0.567 19635 2748 1 6 . 1 1 65 65 PHE HA H 65 4.259 4.259 4.018 0.241 19635 2749 1 6 . 1 1 65 65 PHE C C 65 176.989 176.989 177.054 -0.065 19635 2750 1 6 . 1 1 65 65 PHE CA C 65 61.357 61.357 62.047 -0.690 19635 2751 1 6 . 1 1 65 65 PHE CB C 65 39.589 39.589 39.093 0.496 19635 2752 1 6 . 1 1 65 65 PHE H H 65 7.662 7.662 7.871 -0.209 19635 2753 1 6 . 1 1 66 66 TYR N N 66 117.664 117.664 117.815 -0.151 19635 2754 1 6 . 1 1 66 66 TYR HA H 66 3.752 3.752 4.153 -0.401 19635 2755 1 6 . 1 1 66 66 TYR C C 66 179.253 179.253 178.369 0.884 19635 2756 1 6 . 1 1 66 66 TYR CA C 66 63.822 63.822 62.539 1.283 19635 2757 1 6 . 1 1 66 66 TYR CB C 66 38.532 38.532 38.236 0.296 19635 2758 1 6 . 1 1 66 66 TYR H H 66 8.105 8.105 8.513 -0.408 19635 2759 1 6 . 1 1 67 67 GLN N N 67 117.372 117.372 117.703 -0.331 19635 2760 1 6 . 1 1 67 67 GLN HA H 67 3.752 3.752 4.137 -0.385 19635 2761 1 6 . 1 1 67 67 GLN C C 67 180.322 180.322 178.904 1.418 19635 2762 1 6 . 1 1 67 67 GLN CA C 67 59.714 59.714 58.984 0.730 19635 2763 1 6 . 1 1 67 67 GLN CB C 67 27.759 27.759 28.414 -0.655 19635 2764 1 6 . 1 1 67 67 GLN H H 67 8.263 8.263 8.051 0.212 19635 2765 1 6 . 1 1 68 68 GLU N N 68 122.805 122.805 120.128 2.677 19635 2766 1 6 . 1 1 68 68 GLU HA H 68 4.130 4.130 4.044 0.086 19635 2767 1 6 . 1 1 68 68 GLU C C 68 178.400 178.400 177.493 0.907 19635 2768 1 6 . 1 1 68 68 GLU CA C 68 56.062 56.062 58.848 -2.786 19635 2769 1 6 . 1 1 68 68 GLU CB C 68 41.955 41.955 29.579 12.376 19635 2770 1 6 . 1 1 68 68 GLU H H 68 8.525 8.525 8.375 0.150 19635 2771 1 6 . 1 1 69 69 LYS N N 69 116.254 116.254 115.829 0.425 19635 2772 1 6 . 1 1 69 69 LYS HA H 69 4.223 4.223 4.142 0.081 19635 2773 1 6 . 1 1 69 69 LYS C C 69 176.090 176.090 176.349 -0.259 19635 2774 1 6 . 1 1 69 69 LYS CA C 69 54.692 54.692 55.632 -0.940 19635 2775 1 6 . 1 1 69 69 LYS CB C 69 31.685 31.685 31.965 -0.280 19635 2776 1 6 . 1 1 69 69 LYS H H 69 7.413 7.413 7.339 0.074 19635 2777 1 6 . 1 1 70 70 GLY N N 70 105.876 105.876 105.839 0.037 19635 2778 1 6 . 1 1 70 70 GLY C C 70 174.602 174.602 174.785 -0.183 19635 2779 1 6 . 1 1 70 70 GLY CA C 70 45.197 45.197 44.793 0.404 19635 2780 1 6 . 1 1 70 70 GLY H H 70 7.770 7.770 7.894 -0.124 19635 2781 1 6 . 1 1 71 71 TYR N N 71 124.341 124.341 122.568 1.773 19635 2782 1 6 . 1 1 71 71 TYR HA H 71 4.795 4.795 4.647 0.148 19635 2783 1 6 . 1 1 71 71 TYR C C 71 177.082 177.082 176.442 0.640 19635 2784 1 6 . 1 1 71 71 TYR CA C 71 57.431 57.431 57.777 -0.346 19635 2785 1 6 . 1 1 71 71 TYR CB C 71 36.524 36.524 36.087 0.437 19635 2786 1 6 . 1 1 71 71 TYR H H 71 8.387 8.387 8.074 0.313 19635 2787 1 6 . 1 1 72 72 VAL N N 72 113.636 113.636 121.801 -8.165 19635 2788 1 6 . 1 1 72 72 VAL HA H 72 4.010 4.010 3.896 0.114 19635 2789 1 6 . 1 1 72 72 VAL C C 72 176.989 176.989 176.515 0.474 19635 2790 1 6 . 1 1 72 72 VAL CA C 72 64.251 64.251 64.928 -0.677 19635 2791 1 6 . 1 1 72 72 VAL CB C 72 31.440 31.440 31.788 -0.348 19635 2792 1 6 . 1 1 72 72 VAL H H 72 7.239 7.239 7.898 -0.659 19635 2793 1 6 . 1 1 73 73 LEU N N 73 120.170 120.170 117.807 2.363 19635 2794 1 6 . 1 1 73 73 LEU HA H 73 4.487 4.487 4.412 0.075 19635 2795 1 6 . 1 1 73 73 LEU C C 73 176.927 176.927 176.217 0.710 19635 2796 1 6 . 1 1 73 73 LEU CA C 73 54.474 54.474 54.533 -0.059 19635 2797 1 6 . 1 1 73 73 LEU CB C 73 41.819 41.819 41.600 0.219 19635 2798 1 6 . 1 1 73 73 LEU H H 73 8.765 8.765 7.865 0.900 19635 2799 1 6 . 1 1 74 74 ALA N N 74 122.084 122.084 121.699 0.385 19635 2800 1 6 . 1 1 74 74 ALA HA H 74 4.537 4.537 5.189 -0.652 19635 2801 1 6 . 1 1 74 74 ALA C C 74 177.516 177.516 176.255 1.261 19635 2802 1 6 . 1 1 74 74 ALA CA C 74 52.329 52.329 51.107 1.222 19635 2803 1 6 . 1 1 74 74 ALA CB C 74 21.065 21.065 21.209 -0.144 19635 2804 1 6 . 1 1 74 74 ALA H H 74 7.322 7.322 7.485 -0.163 19635 2805 1 6 . 1 1 75 75 ARG N N 75 118.061 118.061 121.008 -2.947 19635 2806 1 6 . 1 1 75 75 ARG HA H 75 4.606 4.606 4.661 -0.055 19635 2807 1 6 . 1 1 75 75 ARG C C 75 173.036 173.036 173.965 -0.929 19635 2808 1 6 . 1 1 75 75 ARG CA C 75 54.604 54.604 55.102 -0.498 19635 2809 1 6 . 1 1 75 75 ARG CB C 75 34.037 34.037 34.430 -0.393 19635 2810 1 6 . 1 1 75 75 ARG H H 75 8.521 8.521 8.810 -0.289 19635 2811 1 6 . 1 1 76 76 ALA N N 76 122.847 122.847 127.591 -4.744 19635 2812 1 6 . 1 1 76 76 ALA HA H 76 5.533 5.533 5.261 0.272 19635 2813 1 6 . 1 1 76 76 ALA C C 76 176.028 176.028 175.918 0.110 19635 2814 1 6 . 1 1 76 76 ALA CA C 76 50.219 50.219 50.442 -0.223 19635 2815 1 6 . 1 1 76 76 ALA CB C 76 22.464 22.464 20.716 1.748 19635 2816 1 6 . 1 1 76 76 ALA H H 76 8.553 8.553 8.639 -0.086 19635 2817 1 6 . 1 1 77 77 PHE N N 77 117.410 117.410 120.444 -3.034 19635 2818 1 6 . 1 1 77 77 PHE HA H 77 4.922 4.922 5.039 -0.117 19635 2819 1 6 . 1 1 77 77 PHE C C 77 172.091 172.091 173.262 -1.171 19635 2820 1 6 . 1 1 77 77 PHE CA C 77 55.697 55.697 55.854 -0.157 19635 2821 1 6 . 1 1 77 77 PHE CB C 77 41.637 41.637 42.035 -0.398 19635 2822 1 6 . 1 1 77 77 PHE H H 77 9.079 9.079 8.758 0.321 19635 2823 1 6 . 1 1 78 78 LEU N N 78 123.541 123.541 123.964 -0.423 19635 2824 1 6 . 1 1 78 78 LEU HA H 78 5.023 5.023 4.835 0.188 19635 2825 1 6 . 1 1 78 78 LEU C C 78 174.494 174.494 175.030 -0.536 19635 2826 1 6 . 1 1 78 78 LEU CA C 78 51.328 51.328 51.195 0.133 19635 2827 1 6 . 1 1 78 78 LEU CB C 78 42.774 42.774 44.831 -2.057 19635 2828 1 6 . 1 1 78 78 LEU H H 78 9.031 9.031 8.795 0.236 19635 2829 1 6 . 1 1 79 79 PRO HA H 79 4.661 4.661 4.608 0.053 19635 2830 1 6 . 1 1 79 79 PRO C C 79 176.239 176.239 176.420 -0.181 19635 2831 1 6 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.701 -0.634 19635 2832 1 6 . 1 1 79 79 PRO CB C 79 32.672 32.672 32.083 0.589 19635 2833 1 6 . 1 1 80 80 ALA N N 80 124.122 124.122 129.629 -5.507 19635 2834 1 6 . 1 1 80 80 ALA HA H 80 4.379 4.379 4.430 -0.051 19635 2835 1 6 . 1 1 80 80 ALA C C 80 177.807 177.807 177.616 0.191 19635 2836 1 6 . 1 1 80 80 ALA CA C 80 53.291 53.291 51.946 1.345 19635 2837 1 6 . 1 1 80 80 ALA CB C 80 17.692 17.692 17.776 -0.084 19635 2838 1 6 . 1 1 80 80 ALA H H 80 8.488 8.488 8.734 -0.246 19635 2839 1 6 . 1 1 81 81 GLN N N 81 118.018 118.018 119.574 -1.556 19635 2840 1 6 . 1 1 81 81 GLN HA H 81 5.234 5.234 4.209 1.025 19635 2841 1 6 . 1 1 81 81 GLN C C 81 173.284 173.284 177.014 -3.730 19635 2842 1 6 . 1 1 81 81 GLN CA C 81 55.332 55.332 57.332 -2.000 19635 2843 1 6 . 1 1 81 81 GLN CB C 81 31.580 31.580 29.597 1.983 19635 2844 1 6 . 1 1 81 81 GLN H H 81 8.157 8.157 8.147 0.010 19635 2845 1 6 . 1 1 83 83 ILE HA H 83 4.121 4.121 3.859 0.262 19635 2846 1 6 . 1 1 83 83 ILE C C 83 175.873 175.873 174.812 1.061 19635 2847 1 6 . 1 1 83 83 ILE CA C 83 62.249 62.249 61.397 0.852 19635 2848 1 6 . 1 1 83 83 ILE CB C 83 37.495 37.495 35.807 1.688 19635 2849 1 6 . 1 1 84 84 GLN N N 84 126.522 126.522 122.049 4.473 19635 2850 1 6 . 1 1 84 84 GLN HA H 84 4.111 4.111 4.128 -0.017 19635 2851 1 6 . 1 1 84 84 GLN C C 84 176.028 176.028 176.000 0.028 19635 2852 1 6 . 1 1 84 84 GLN CA C 84 61.521 61.521 55.521 6.000 19635 2853 1 6 . 1 1 84 84 GLN CB C 84 37.464 37.464 28.822 8.642 19635 2854 1 6 . 1 1 84 84 GLN H H 84 8.679 8.679 7.945 0.734 19635 2855 1 6 . 1 1 85 85 ASP HA H 85 4.488 4.488 4.222 0.266 19635 2856 1 6 . 1 1 85 85 ASP C C 85 176.709 176.709 176.544 0.165 19635 2857 1 6 . 1 1 85 85 ASP CA C 85 54.513 54.513 55.512 -0.999 19635 2858 1 6 . 1 1 85 85 ASP CB C 85 40.643 40.643 39.920 0.723 19635 2859 1 6 . 1 1 86 86 GLY N N 86 104.397 104.397 112.732 -8.335 19635 2860 1 6 . 1 1 86 86 GLY C C 86 174.308 174.308 173.764 0.544 19635 2861 1 6 . 1 1 86 86 GLY CA C 86 46.323 46.323 45.090 1.232 19635 2862 1 6 . 1 1 86 86 GLY H H 86 8.310 8.310 8.323 -0.013 19635 2863 1 6 . 1 1 87 87 THR N N 87 119.045 119.045 120.822 -1.777 19635 2864 1 6 . 1 1 87 87 THR HA H 87 4.670 4.670 5.058 -0.388 19635 2865 1 6 . 1 1 87 87 THR C C 87 172.943 172.943 172.966 -0.023 19635 2866 1 6 . 1 1 87 87 THR CA C 87 61.905 61.905 62.009 -0.104 19635 2867 1 6 . 1 1 87 87 THR CB C 87 68.779 68.779 70.721 -1.942 19635 2868 1 6 . 1 1 87 87 THR H H 87 7.877 7.877 7.894 -0.017 19635 2869 1 6 . 1 1 88 88 VAL N N 88 127.859 127.859 122.417 5.442 19635 2870 1 6 . 1 1 88 88 VAL HA H 88 4.110 4.110 4.402 -0.292 19635 2871 1 6 . 1 1 88 88 VAL C C 88 174.463 174.463 174.221 0.242 19635 2872 1 6 . 1 1 88 88 VAL CA C 88 61.157 61.157 59.798 1.359 19635 2873 1 6 . 1 1 88 88 VAL CB C 88 33.237 33.237 33.682 -0.445 19635 2874 1 6 . 1 1 88 88 VAL H H 88 8.241 8.241 8.144 0.097 19635 2875 1 6 . 1 1 89 89 ARG N N 89 129.825 129.825 126.935 2.890 19635 2876 1 6 . 1 1 89 89 ARG HA H 89 5.234 5.234 5.284 -0.050 19635 2877 1 6 . 1 1 89 89 ARG C C 89 175.470 175.470 175.633 -0.163 19635 2878 1 6 . 1 1 89 89 ARG CA C 89 55.357 55.357 54.774 0.583 19635 2879 1 6 . 1 1 89 89 ARG CB C 89 31.594 31.594 32.041 -0.447 19635 2880 1 6 . 1 1 89 89 ARG H H 89 9.541 9.541 8.565 0.976 19635 2881 1 6 . 1 1 90 90 ILE N N 90 123.428 123.428 127.604 -4.176 19635 2882 1 6 . 1 1 90 90 ILE HA H 90 4.299 4.299 4.317 -0.018 19635 2883 1 6 . 1 1 90 90 ILE C C 90 174.106 174.106 174.530 -0.424 19635 2884 1 6 . 1 1 90 90 ILE CA C 90 60.444 60.444 60.576 -0.132 19635 2885 1 6 . 1 1 90 90 ILE CB C 90 41.390 41.390 40.062 1.328 19635 2886 1 6 . 1 1 90 90 ILE H H 90 8.641 8.641 9.254 -0.613 19635 2887 1 6 . 1 1 91 91 GLU N N 91 126.760 126.760 127.970 -1.210 19635 2888 1 6 . 1 1 91 91 GLU HA H 91 4.903 4.903 4.963 -0.060 19635 2889 1 6 . 1 1 91 91 GLU C C 91 174.246 174.246 175.569 -1.323 19635 2890 1 6 . 1 1 91 91 GLU CA C 91 54.422 54.422 54.814 -0.392 19635 2891 1 6 . 1 1 91 91 GLU CB C 91 32.035 32.035 30.628 1.407 19635 2892 1 6 . 1 1 91 91 GLU H H 91 8.388 8.388 8.819 -0.431 19635 2893 1 6 . 1 1 92 92 VAL N N 92 122.222 122.222 125.154 -2.932 19635 2894 1 6 . 1 1 92 92 VAL HA H 92 4.385 4.385 4.024 0.361 19635 2895 1 6 . 1 1 92 92 VAL C C 92 174.835 174.835 174.934 -0.099 19635 2896 1 6 . 1 1 92 92 VAL CA C 92 61.066 61.066 60.947 0.119 19635 2897 1 6 . 1 1 92 92 VAL CB C 92 33.946 33.946 31.332 2.614 19635 2898 1 6 . 1 1 92 92 VAL H H 92 8.790 8.790 8.930 -0.140 19635 2899 1 6 . 1 1 93 93 LEU N N 93 128.617 128.617 130.619 -2.002 19635 2900 1 6 . 1 1 93 93 LEU HA H 93 4.812 4.812 4.601 0.211 19635 2901 1 6 . 1 1 93 93 LEU C C 93 176.540 176.540 176.466 0.074 19635 2902 1 6 . 1 1 93 93 LEU CA C 93 53.148 53.148 53.709 -0.561 19635 2903 1 6 . 1 1 93 93 LEU CB C 93 43.229 43.229 42.054 1.175 19635 2904 1 6 . 1 1 93 93 LEU H H 93 8.980 8.980 8.814 0.166 19635 2905 1 6 . 1 1 94 94 GLU N N 94 123.476 123.476 125.724 -2.248 19635 2906 1 6 . 1 1 94 94 GLU HA H 94 3.821 3.821 4.210 -0.389 19635 2907 1 6 . 1 1 94 94 GLU C C 94 175.408 175.408 176.176 -0.768 19635 2908 1 6 . 1 1 94 94 GLU CA C 94 57.797 57.797 57.610 0.187 19635 2909 1 6 . 1 1 94 94 GLU CB C 94 29.676 29.676 30.360 -0.684 19635 2910 1 6 . 1 1 94 94 GLU H H 94 8.930 8.930 8.258 0.672 19635 2911 1 7 . 1 1 8 8 HIS HA H 8 4.637 4.637 4.438 0.199 19635 2912 1 7 . 1 1 8 8 HIS C C 8 174.897 174.897 174.343 0.554 19635 2913 1 7 . 1 1 8 8 HIS CA C 8 56.534 56.534 55.840 0.694 19635 2914 1 7 . 1 1 8 8 HIS CB C 8 31.030 31.030 29.446 1.584 19635 2915 1 7 . 1 1 9 9 VAL N N 9 121.834 121.834 128.824 -6.990 19635 2916 1 7 . 1 1 9 9 VAL HA H 9 4.111 4.111 3.788 0.323 19635 2917 1 7 . 1 1 9 9 VAL C C 9 175.486 175.486 175.167 0.319 19635 2918 1 7 . 1 1 9 9 VAL CA C 9 62.115 62.115 61.876 0.239 19635 2919 1 7 . 1 1 9 9 VAL CB C 9 33.036 33.036 30.352 2.684 19635 2920 1 7 . 1 1 9 9 VAL H H 9 7.998 7.998 7.877 0.121 19635 2921 1 7 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.172 0.411 19635 2922 1 7 . 1 1 10 10 ASP CA C 10 54.510 54.510 53.898 0.612 19635 2923 1 7 . 1 1 10 10 ASP CB C 10 41.545 41.545 41.900 -0.355 19635 2924 1 7 . 1 1 11 11 ASP HA H 11 4.583 4.583 4.428 0.155 19635 2925 1 7 . 1 1 11 11 ASP C C 11 176.012 176.012 175.977 0.035 19635 2926 1 7 . 1 1 11 11 ASP CA C 11 54.692 54.692 55.121 -0.429 19635 2927 1 7 . 1 1 11 11 ASP CB C 11 41.545 41.545 41.162 0.383 19635 2928 1 7 . 1 1 12 12 ASP N N 12 120.751 120.751 119.360 1.391 19635 2929 1 7 . 1 1 12 12 ASP HA H 12 4.581 4.581 4.577 0.004 19635 2930 1 7 . 1 1 12 12 ASP C C 12 176.385 176.385 175.170 1.215 19635 2931 1 7 . 1 1 12 12 ASP CA C 12 54.695 54.695 54.062 0.632 19635 2932 1 7 . 1 1 12 12 ASP CB C 12 41.363 41.363 41.445 -0.082 19635 2933 1 7 . 1 1 12 12 ASP H H 12 8.249 8.249 8.543 -0.294 19635 2934 1 7 . 1 1 13 13 ASP N N 13 120.536 120.536 120.185 0.351 19635 2935 1 7 . 1 1 13 13 ASP HA H 13 4.576 4.576 4.664 -0.088 19635 2936 1 7 . 1 1 13 13 ASP C C 13 176.818 176.818 174.671 2.147 19635 2937 1 7 . 1 1 13 13 ASP CA C 13 54.877 54.877 53.765 1.112 19635 2938 1 7 . 1 1 13 13 ASP CB C 13 41.318 41.318 43.187 -1.869 19635 2939 1 7 . 1 1 13 13 ASP H H 13 8.291 8.291 7.869 0.422 19635 2940 1 7 . 1 1 14 14 LYS N N 14 120.496 120.496 124.833 -4.337 19635 2941 1 7 . 1 1 14 14 LYS HA H 14 4.303 4.303 4.700 -0.397 19635 2942 1 7 . 1 1 14 14 LYS C C 14 177.190 177.190 176.102 1.088 19635 2943 1 7 . 1 1 14 14 LYS CA C 14 56.788 56.788 56.036 0.752 19635 2944 1 7 . 1 1 14 14 LYS CB C 14 32.399 32.399 32.255 0.144 19635 2945 1 7 . 1 1 14 14 LYS H H 14 8.181 8.181 8.609 -0.428 19635 2946 1 7 . 1 1 15 15 MET N N 15 119.518 119.518 117.300 2.218 19635 2947 1 7 . 1 1 15 15 MET HA H 15 4.546 4.546 4.621 -0.075 19635 2948 1 7 . 1 1 15 15 MET C C 15 176.881 176.881 177.253 -0.372 19635 2949 1 7 . 1 1 15 15 MET CA C 15 55.696 55.696 56.706 -1.010 19635 2950 1 7 . 1 1 15 15 MET CB C 15 32.490 32.490 34.469 -1.979 19635 2951 1 7 . 1 1 15 15 MET H H 15 8.276 8.276 8.780 -0.504 19635 2952 1 7 . 1 1 16 16 GLY N N 16 109.506 109.506 108.047 1.459 19635 2953 1 7 . 1 1 16 16 GLY C C 16 174.432 174.432 173.253 1.179 19635 2954 1 7 . 1 1 16 16 GLY CA C 16 45.498 45.498 44.267 1.231 19635 2955 1 7 . 1 1 16 16 GLY H H 16 8.373 8.373 7.824 0.549 19635 2956 1 7 . 1 1 17 17 GLY N N 17 108.711 108.711 107.879 0.832 19635 2957 1 7 . 1 1 17 17 GLY C C 17 171.409 171.409 171.979 -0.570 19635 2958 1 7 . 1 1 17 17 GLY CA C 17 44.685 44.685 44.049 0.636 19635 2959 1 7 . 1 1 17 17 GLY H H 17 8.116 8.116 7.602 0.514 19635 2960 1 7 . 1 1 18 18 PRO HA H 18 4.744 4.744 4.488 0.256 19635 2961 1 7 . 1 1 18 18 PRO C C 18 176.462 176.462 176.861 -0.399 19635 2962 1 7 . 1 1 18 18 PRO CA C 18 62.795 62.795 62.757 0.038 19635 2963 1 7 . 1 1 18 18 PRO CB C 18 35.220 35.220 31.970 3.250 19635 2964 1 7 . 1 1 19 19 THR N N 19 111.524 111.524 114.238 -2.714 19635 2965 1 7 . 1 1 19 19 THR HA H 19 4.744 4.744 4.368 0.376 19635 2966 1 7 . 1 1 19 19 THR C C 19 173.827 173.827 174.290 -0.463 19635 2967 1 7 . 1 1 19 19 THR CA C 19 59.988 59.988 61.607 -1.619 19635 2968 1 7 . 1 1 19 19 THR CB C 19 71.622 71.622 69.741 1.881 19635 2969 1 7 . 1 1 19 19 THR H H 19 8.229 8.229 8.170 0.059 19635 2970 1 7 . 1 1 20 20 VAL N N 20 119.259 119.259 124.475 -5.216 19635 2971 1 7 . 1 1 20 20 VAL HA H 20 4.378 4.378 4.287 0.091 19635 2972 1 7 . 1 1 20 20 VAL C C 20 173.718 173.718 174.649 -0.931 19635 2973 1 7 . 1 1 20 20 VAL CA C 20 59.714 59.714 60.318 -0.604 19635 2974 1 7 . 1 1 20 20 VAL CB C 20 35.482 35.482 33.148 2.334 19635 2975 1 7 . 1 1 20 20 VAL H H 20 8.740 8.740 9.087 -0.347 19635 2976 1 7 . 1 1 21 21 LEU N N 21 127.557 127.557 130.841 -3.284 19635 2977 1 7 . 1 1 21 21 LEU HA H 21 4.427 4.427 4.605 -0.178 19635 2978 1 7 . 1 1 21 21 LEU C C 21 175.362 175.362 175.750 -0.388 19635 2979 1 7 . 1 1 21 21 LEU CA C 21 54.604 54.604 54.407 0.197 19635 2980 1 7 . 1 1 21 21 LEU CB C 21 40.720 40.720 41.596 -0.876 19635 2981 1 7 . 1 1 21 21 LEU H H 21 8.229 8.229 8.719 -0.490 19635 2982 1 7 . 1 1 22 22 VAL N N 22 128.501 128.501 127.042 1.459 19635 2983 1 7 . 1 1 22 22 VAL HA H 22 3.648 3.648 3.911 -0.263 19635 2984 1 7 . 1 1 22 22 VAL C C 22 175.346 175.346 176.145 -0.799 19635 2985 1 7 . 1 1 22 22 VAL CA C 22 63.146 63.146 63.193 -0.047 19635 2986 1 7 . 1 1 22 22 VAL CB C 22 32.151 32.151 31.160 0.992 19635 2987 1 7 . 1 1 22 22 VAL H H 22 8.132 8.132 8.088 0.044 19635 2988 1 7 . 1 1 23 23 LYS N N 23 127.302 127.302 129.217 -1.915 19635 2989 1 7 . 1 1 23 23 LYS HA H 23 4.420 4.420 4.596 -0.176 19635 2990 1 7 . 1 1 23 23 LYS C C 23 176.385 176.385 175.927 0.458 19635 2991 1 7 . 1 1 23 23 LYS CA C 23 56.975 56.975 56.797 0.178 19635 2992 1 7 . 1 1 23 23 LYS CB C 23 34.150 34.150 34.403 -0.252 19635 2993 1 7 . 1 1 23 23 LYS H H 23 9.694 9.694 9.159 0.535 19635 2994 1 7 . 1 1 24 24 ARG N N 24 114.443 114.443 116.788 -2.345 19635 2995 1 7 . 1 1 24 24 ARG HA H 24 4.468 4.468 4.658 -0.190 19635 2996 1 7 . 1 1 24 24 ARG C C 24 172.401 172.401 173.807 -1.406 19635 2997 1 7 . 1 1 24 24 ARG CA C 24 54.596 54.596 55.562 -0.966 19635 2998 1 7 . 1 1 24 24 ARG CB C 24 32.125 32.125 32.566 -0.441 19635 2999 1 7 . 1 1 24 24 ARG H H 24 7.735 7.735 7.910 -0.175 19635 3000 1 7 . 1 1 25 25 PHE N N 25 117.669 117.669 118.803 -1.134 19635 3001 1 7 . 1 1 25 25 PHE HA H 25 5.561 5.561 5.543 0.018 19635 3002 1 7 . 1 1 25 25 PHE C C 25 174.618 174.618 175.631 -1.013 19635 3003 1 7 . 1 1 25 25 PHE CA C 25 56.333 56.333 56.590 -0.257 19635 3004 1 7 . 1 1 25 25 PHE CB C 25 42.319 42.319 41.295 1.024 19635 3005 1 7 . 1 1 25 25 PHE H H 25 8.550 8.550 8.618 -0.068 19635 3006 1 7 . 1 1 26 26 GLN N N 26 121.215 121.215 121.651 -0.436 19635 3007 1 7 . 1 1 26 26 GLN HA H 26 4.576 4.576 4.743 -0.167 19635 3008 1 7 . 1 1 26 26 GLN C C 26 173.904 173.904 174.184 -0.280 19635 3009 1 7 . 1 1 26 26 GLN CA C 26 54.695 54.695 54.577 0.118 19635 3010 1 7 . 1 1 26 26 GLN CB C 26 32.077 32.077 32.807 -0.730 19635 3011 1 7 . 1 1 26 26 GLN H H 26 8.926 8.926 9.277 -0.351 19635 3012 1 7 . 1 1 27 27 LEU N N 27 126.971 126.971 126.998 -0.027 19635 3013 1 7 . 1 1 27 27 LEU HA H 27 5.285 5.285 5.425 -0.140 19635 3014 1 7 . 1 1 27 27 LEU C C 27 177.098 177.098 176.701 0.397 19635 3015 1 7 . 1 1 27 27 LEU CA C 27 53.512 53.512 53.267 0.245 19635 3016 1 7 . 1 1 27 27 LEU CB C 27 44.048 44.048 43.393 0.655 19635 3017 1 7 . 1 1 27 27 LEU H H 27 8.906 8.906 9.103 -0.197 19635 3018 1 7 . 1 1 28 28 SER N N 28 114.562 114.562 115.549 -0.987 19635 3019 1 7 . 1 1 28 28 SER HA H 28 4.866 4.866 4.734 0.132 19635 3020 1 7 . 1 1 28 28 SER C C 28 173.811 173.811 174.509 -0.698 19635 3021 1 7 . 1 1 28 28 SER CA C 28 57.249 57.249 56.719 0.530 19635 3022 1 7 . 1 1 28 28 SER CB C 28 65.161 65.161 65.152 0.009 19635 3023 1 7 . 1 1 28 28 SER H H 28 8.114 8.114 8.928 -0.814 19635 3024 1 7 . 1 1 29 29 GLY N N 29 112.273 112.273 112.906 -0.633 19635 3025 1 7 . 1 1 29 29 GLY C C 29 173.548 173.548 173.305 0.243 19635 3026 1 7 . 1 1 29 29 GLY CA C 29 45.235 45.235 45.721 -0.485 19635 3027 1 7 . 1 1 29 29 GLY H H 29 8.714 8.714 8.801 -0.087 19635 3028 1 7 . 1 1 30 30 ASN N N 30 114.106 114.106 117.638 -3.532 19635 3029 1 7 . 1 1 30 30 ASN HA H 30 4.536 4.536 4.708 -0.172 19635 3030 1 7 . 1 1 30 30 ASN C C 30 174.804 174.804 174.665 0.139 19635 3031 1 7 . 1 1 30 30 ASN CA C 30 53.876 53.876 52.774 1.102 19635 3032 1 7 . 1 1 30 30 ASN CB C 30 37.495 37.495 37.986 -0.492 19635 3033 1 7 . 1 1 30 30 ASN H H 30 9.436 9.436 7.929 1.507 19635 3034 1 7 . 1 1 31 31 ARG N N 31 124.382 124.382 124.553 -0.171 19635 3035 1 7 . 1 1 31 31 ARG HA H 31 4.408 4.408 4.538 -0.130 19635 3036 1 7 . 1 1 31 31 ARG C C 31 177.656 177.656 177.395 0.261 19635 3037 1 7 . 1 1 31 31 ARG CA C 31 57.066 57.066 56.912 0.154 19635 3038 1 7 . 1 1 31 31 ARG CB C 31 32.689 32.689 32.063 0.626 19635 3039 1 7 . 1 1 31 31 ARG H H 31 9.427 9.427 9.502 -0.075 19635 3040 1 7 . 1 1 32 32 GLN N N 32 122.307 122.307 117.776 4.531 19635 3041 1 7 . 1 1 32 32 GLN HA H 32 3.804 3.804 3.974 -0.170 19635 3042 1 7 . 1 1 32 32 GLN C C 32 175.005 175.005 175.912 -0.907 19635 3043 1 7 . 1 1 32 32 GLN CA C 32 57.243 57.243 57.666 -0.423 19635 3044 1 7 . 1 1 32 32 GLN CB C 32 28.850 28.850 29.068 -0.218 19635 3045 1 7 . 1 1 32 32 GLN H H 32 10.333 10.333 9.101 1.232 19635 3046 1 7 . 1 1 33 33 PHE N N 33 110.633 110.633 117.388 -6.755 19635 3047 1 7 . 1 1 33 33 PHE HA H 33 4.815 4.815 4.619 0.196 19635 3048 1 7 . 1 1 33 33 PHE C C 33 174.215 174.215 174.394 -0.179 19635 3049 1 7 . 1 1 33 33 PHE CA C 33 55.514 55.514 56.742 -1.228 19635 3050 1 7 . 1 1 33 33 PHE CB C 33 43.006 43.006 41.820 1.186 19635 3051 1 7 . 1 1 33 33 PHE H H 33 6.698 6.698 7.546 -0.848 19635 3052 1 7 . 1 1 34 34 ASP N N 34 120.588 120.588 120.804 -0.216 19635 3053 1 7 . 1 1 34 34 ASP HA H 34 4.547 4.547 4.633 -0.086 19635 3054 1 7 . 1 1 34 34 ASP C C 34 175.253 175.253 176.921 -1.668 19635 3055 1 7 . 1 1 34 34 ASP CA C 34 52.684 52.684 53.443 -0.759 19635 3056 1 7 . 1 1 34 34 ASP CB C 34 42.276 42.276 42.576 -0.300 19635 3057 1 7 . 1 1 34 34 ASP H H 34 8.477 8.477 8.483 -0.006 19635 3058 1 7 . 1 1 35 35 ASP N N 35 118.353 118.353 120.659 -2.306 19635 3059 1 7 . 1 1 35 35 ASP HA H 35 4.022 4.022 4.189 -0.167 19635 3060 1 7 . 1 1 35 35 ASP C C 35 177.826 177.826 178.201 -0.375 19635 3061 1 7 . 1 1 35 35 ASP CA C 35 57.607 57.607 59.212 -1.605 19635 3062 1 7 . 1 1 35 35 ASP CB C 35 39.771 39.771 40.974 -1.203 19635 3063 1 7 . 1 1 35 35 ASP H H 35 8.507 8.507 8.790 -0.283 19635 3064 1 7 . 1 1 36 36 ARG N N 36 117.028 117.028 119.504 -2.476 19635 3065 1 7 . 1 1 36 36 ARG HA H 36 3.873 3.873 3.897 -0.024 19635 3066 1 7 . 1 1 36 36 ARG C C 36 179.206 179.206 178.275 0.931 19635 3067 1 7 . 1 1 36 36 ARG CA C 36 59.610 59.610 59.175 0.435 19635 3068 1 7 . 1 1 36 36 ARG CB C 36 29.422 29.422 30.204 -0.782 19635 3069 1 7 . 1 1 36 36 ARG H H 36 8.111 8.111 8.159 -0.048 19635 3070 1 7 . 1 1 37 37 ARG N N 37 119.265 119.265 118.507 0.758 19635 3071 1 7 . 1 1 37 37 ARG HA H 37 4.020 4.020 4.057 -0.037 19635 3072 1 7 . 1 1 37 37 ARG C C 37 177.950 177.950 178.033 -0.083 19635 3073 1 7 . 1 1 37 37 ARG CA C 37 57.698 57.698 58.424 -0.726 19635 3074 1 7 . 1 1 37 37 ARG CB C 37 30.124 30.124 29.616 0.508 19635 3075 1 7 . 1 1 37 37 ARG H H 37 7.826 7.826 8.144 -0.318 19635 3076 1 7 . 1 1 38 38 LEU N N 38 115.462 115.462 118.014 -2.552 19635 3077 1 7 . 1 1 38 38 LEU HA H 38 3.819 3.819 3.990 -0.171 19635 3078 1 7 . 1 1 38 38 LEU C C 38 179.067 179.067 179.047 0.020 19635 3079 1 7 . 1 1 38 38 LEU CA C 38 56.333 56.333 55.663 0.670 19635 3080 1 7 . 1 1 38 38 LEU CB C 38 42.046 42.046 41.772 0.274 19635 3081 1 7 . 1 1 38 38 LEU H H 38 7.365 7.365 7.606 -0.241 19635 3082 1 7 . 1 1 39 39 LEU N N 39 117.922 117.922 121.345 -3.423 19635 3083 1 7 . 1 1 39 39 LEU HA H 39 3.823 3.823 3.810 0.013 19635 3084 1 7 . 1 1 39 39 LEU C C 39 181.051 181.051 178.929 2.122 19635 3085 1 7 . 1 1 39 39 LEU CA C 39 57.607 57.607 58.023 -0.416 19635 3086 1 7 . 1 1 39 39 LEU CB C 39 41.089 41.089 40.958 0.131 19635 3087 1 7 . 1 1 39 39 LEU H H 39 9.081 9.081 8.546 0.535 19635 3088 1 7 . 1 1 40 40 ALA N N 40 121.136 121.136 121.025 0.111 19635 3089 1 7 . 1 1 40 40 ALA HA H 40 4.077 4.077 4.056 0.021 19635 3090 1 7 . 1 1 40 40 ALA C C 40 180.059 180.059 179.658 0.401 19635 3091 1 7 . 1 1 40 40 ALA CA C 40 54.514 54.514 54.460 0.054 19635 3092 1 7 . 1 1 40 40 ALA CB C 40 17.716 17.716 18.188 -0.472 19635 3093 1 7 . 1 1 40 40 ALA H H 40 7.266 7.266 7.768 -0.502 19635 3094 1 7 . 1 1 41 41 LEU N N 41 115.253 115.253 118.366 -3.113 19635 3095 1 7 . 1 1 41 41 LEU HA H 41 4.128 4.128 4.012 0.116 19635 3096 1 7 . 1 1 41 41 LEU C C 41 177.966 177.966 177.113 0.853 19635 3097 1 7 . 1 1 41 41 LEU CA C 41 55.971 55.971 57.100 -1.129 19635 3098 1 7 . 1 1 41 41 LEU CB C 41 42.093 42.093 42.153 -0.060 19635 3099 1 7 . 1 1 41 41 LEU H H 41 7.215 7.215 7.439 -0.224 19635 3100 1 7 . 1 1 42 42 LEU N N 42 116.365 116.365 115.174 1.191 19635 3101 1 7 . 1 1 42 42 LEU HA H 42 4.298 4.298 4.433 -0.135 19635 3102 1 7 . 1 1 42 42 LEU C C 42 177.842 177.842 177.459 0.383 19635 3103 1 7 . 1 1 42 42 LEU CA C 42 53.232 53.232 51.739 1.493 19635 3104 1 7 . 1 1 42 42 LEU CB C 42 41.955 41.955 38.495 3.460 19635 3105 1 7 . 1 1 42 42 LEU H H 42 7.392 7.392 7.751 -0.359 19635 3106 1 7 . 1 1 43 43 HIS N N 43 117.222 117.222 119.863 -2.641 19635 3107 1 7 . 1 1 43 43 HIS HA H 43 4.279 4.279 4.222 0.057 19635 3108 1 7 . 1 1 43 43 HIS C C 43 174.494 174.494 175.328 -0.834 19635 3109 1 7 . 1 1 43 43 HIS CA C 43 59.428 59.428 58.977 0.451 19635 3110 1 7 . 1 1 43 43 HIS CB C 43 31.216 31.216 29.442 1.774 19635 3111 1 7 . 1 1 43 43 HIS H H 43 7.012 7.012 7.486 -0.474 19635 3112 1 7 . 1 1 44 44 ASP N N 44 116.296 116.296 116.665 -0.369 19635 3113 1 7 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.395 -0.057 19635 3114 1 7 . 1 1 44 44 ASP C C 44 176.385 176.385 175.628 0.757 19635 3115 1 7 . 1 1 44 44 ASP CA C 44 53.785 53.785 53.675 0.110 19635 3116 1 7 . 1 1 44 44 ASP CB C 44 38.989 38.989 40.255 -1.266 19635 3117 1 7 . 1 1 44 44 ASP H H 44 9.235 9.235 7.893 1.342 19635 3118 1 7 . 1 1 45 45 LEU N N 45 119.937 119.937 120.895 -0.958 19635 3119 1 7 . 1 1 45 45 LEU HA H 45 4.212 4.212 4.716 -0.504 19635 3120 1 7 . 1 1 45 45 LEU C C 45 173.563 173.563 175.329 -1.766 19635 3121 1 7 . 1 1 45 45 LEU CA C 45 57.881 57.881 56.136 1.745 19635 3122 1 7 . 1 1 45 45 LEU CB C 45 41.955 41.955 41.022 0.933 19635 3123 1 7 . 1 1 45 45 LEU H H 45 7.866 7.866 7.862 0.004 19635 3124 1 7 . 1 1 46 46 PRO HA H 46 3.992 3.992 4.346 -0.354 19635 3125 1 7 . 1 1 46 46 PRO C C 46 177.160 177.160 177.722 -0.562 19635 3126 1 7 . 1 1 46 46 PRO CA C 46 65.036 65.036 63.240 1.796 19635 3127 1 7 . 1 1 46 46 PRO CB C 46 29.032 29.032 32.584 -3.552 19635 3128 1 7 . 1 1 47 47 GLY N N 47 111.431 111.431 108.450 2.981 19635 3129 1 7 . 1 1 47 47 GLY C C 47 173.827 173.827 173.864 -0.037 19635 3130 1 7 . 1 1 47 47 GLY CA C 47 44.685 44.685 45.232 -0.547 19635 3131 1 7 . 1 1 47 47 GLY H H 47 9.411 9.411 8.963 0.448 19635 3132 1 7 . 1 1 48 48 GLN N N 48 117.897 117.897 118.726 -0.829 19635 3133 1 7 . 1 1 48 48 GLN HA H 48 4.507 4.507 4.584 -0.077 19635 3134 1 7 . 1 1 48 48 GLN C C 48 174.525 174.525 174.033 0.492 19635 3135 1 7 . 1 1 48 48 GLN CA C 48 54.695 54.695 53.952 0.743 19635 3136 1 7 . 1 1 48 48 GLN CB C 48 31.034 31.034 32.102 -1.067 19635 3137 1 7 . 1 1 48 48 GLN H H 48 7.871 7.871 7.375 0.496 19635 3138 1 7 . 1 1 49 49 GLU N N 49 120.443 120.443 121.647 -1.204 19635 3139 1 7 . 1 1 49 49 GLU HA H 49 4.815 4.815 4.435 0.380 19635 3140 1 7 . 1 1 49 49 GLU C C 49 175.672 175.672 175.413 0.259 19635 3141 1 7 . 1 1 49 49 GLU CA C 49 55.423 55.423 55.915 -0.492 19635 3142 1 7 . 1 1 49 49 GLU CB C 49 30.224 30.224 29.802 0.422 19635 3143 1 7 . 1 1 49 49 GLU H H 49 8.369 8.369 8.653 -0.284 19635 3144 1 7 . 1 1 50 50 LEU N N 50 125.608 125.608 126.813 -1.205 19635 3145 1 7 . 1 1 50 50 LEU HA H 50 5.010 5.010 4.977 0.033 19635 3146 1 7 . 1 1 50 50 LEU C C 50 176.338 176.338 177.303 -0.965 19635 3147 1 7 . 1 1 50 50 LEU CA C 50 53.232 53.232 52.514 0.718 19635 3148 1 7 . 1 1 50 50 LEU CB C 50 45.413 45.413 41.830 3.583 19635 3149 1 7 . 1 1 50 50 LEU H H 50 8.663 8.663 8.523 0.140 19635 3150 1 7 . 1 1 51 51 ASN N N 51 118.769 118.769 122.720 -3.951 19635 3151 1 7 . 1 1 51 51 ASN HA H 51 5.183 5.183 4.787 0.396 19635 3152 1 7 . 1 1 51 51 ASN C C 51 176.013 176.013 176.562 -0.549 19635 3153 1 7 . 1 1 51 51 ASN CA C 51 50.600 50.600 51.756 -1.156 19635 3154 1 7 . 1 1 51 51 ASN CB C 51 39.407 39.407 39.239 0.168 19635 3155 1 7 . 1 1 51 51 ASN H H 51 8.897 8.897 8.866 0.031 19635 3156 1 7 . 1 1 52 52 LEU N N 52 118.818 118.818 119.604 -0.786 19635 3157 1 7 . 1 1 52 52 LEU HA H 52 4.041 4.041 4.026 0.015 19635 3158 1 7 . 1 1 52 52 LEU C C 52 179.036 179.036 178.773 0.263 19635 3159 1 7 . 1 1 52 52 LEU CA C 52 58.609 58.609 58.356 0.253 19635 3160 1 7 . 1 1 52 52 LEU CB C 52 41.773 41.773 40.532 1.241 19635 3161 1 7 . 1 1 52 52 LEU H H 52 8.585 8.585 8.291 0.294 19635 3162 1 7 . 1 1 53 53 SER N N 53 115.007 115.007 115.628 -0.621 19635 3163 1 7 . 1 1 53 53 SER HA H 53 4.358 4.358 3.973 0.385 19635 3164 1 7 . 1 1 53 53 SER C C 53 178.307 178.307 177.312 0.995 19635 3165 1 7 . 1 1 53 53 SER CA C 53 62.270 62.270 61.512 0.758 19635 3166 1 7 . 1 1 53 53 SER CB C 53 62.340 62.340 62.515 -0.175 19635 3167 1 7 . 1 1 53 53 SER H H 53 8.385 8.385 7.847 0.538 19635 3168 1 7 . 1 1 54 54 GLN N N 54 122.316 122.316 120.958 1.358 19635 3169 1 7 . 1 1 54 54 GLN HA H 54 4.219 4.219 3.946 0.273 19635 3170 1 7 . 1 1 54 54 GLN C C 54 179.361 179.361 178.804 0.557 19635 3171 1 7 . 1 1 54 54 GLN CA C 54 58.618 58.618 58.613 0.005 19635 3172 1 7 . 1 1 54 54 GLN CB C 54 29.942 29.942 28.681 1.261 19635 3173 1 7 . 1 1 54 54 GLN H H 54 8.478 8.478 8.655 -0.177 19635 3174 1 7 . 1 1 55 55 LEU N N 55 122.348 122.348 119.806 2.542 19635 3175 1 7 . 1 1 55 55 LEU HA H 55 4.209 4.209 3.934 0.275 19635 3176 1 7 . 1 1 55 55 LEU C C 55 178.989 178.989 179.117 -0.128 19635 3177 1 7 . 1 1 55 55 LEU CA C 55 57.972 57.972 57.952 0.020 19635 3178 1 7 . 1 1 55 55 LEU CB C 55 41.910 41.910 41.866 0.044 19635 3179 1 7 . 1 1 55 55 LEU H H 55 8.354 8.354 8.389 -0.035 19635 3180 1 7 . 1 1 56 56 HIS N N 56 119.481 119.481 115.098 4.383 19635 3181 1 7 . 1 1 56 56 HIS HA H 56 4.358 4.358 4.480 -0.122 19635 3182 1 7 . 1 1 56 56 HIS C C 56 179.671 179.671 177.125 2.546 19635 3183 1 7 . 1 1 56 56 HIS CA C 56 60.757 60.757 58.108 2.649 19635 3184 1 7 . 1 1 56 56 HIS CB C 56 30.670 30.670 28.910 1.760 19635 3185 1 7 . 1 1 56 56 HIS H H 56 8.592 8.592 8.096 0.496 19635 3186 1 7 . 1 1 57 57 ALA N N 57 122.582 122.582 121.805 0.777 19635 3187 1 7 . 1 1 57 57 ALA HA H 57 4.289 4.289 4.014 0.275 19635 3188 1 7 . 1 1 57 57 ALA C C 57 179.919 179.919 179.159 0.760 19635 3189 1 7 . 1 1 57 57 ALA CA C 57 54.877 54.877 54.638 0.239 19635 3190 1 7 . 1 1 57 57 ALA CB C 57 17.716 17.716 17.735 -0.019 19635 3191 1 7 . 1 1 57 57 ALA H H 57 8.091 8.091 7.860 0.231 19635 3192 1 7 . 1 1 58 58 ALA N N 58 122.641 122.641 121.151 1.490 19635 3193 1 7 . 1 1 58 58 ALA HA H 58 3.812 3.812 3.924 -0.112 19635 3194 1 7 . 1 1 58 58 ALA C C 58 178.570 178.570 178.744 -0.174 19635 3195 1 7 . 1 1 58 58 ALA CA C 58 55.149 55.149 55.123 0.026 19635 3196 1 7 . 1 1 58 58 ALA CB C 58 17.677 17.677 18.273 -0.596 19635 3197 1 7 . 1 1 58 58 ALA H H 58 7.835 7.835 7.697 0.138 19635 3198 1 7 . 1 1 59 59 ALA N N 59 117.349 117.349 120.124 -2.775 19635 3199 1 7 . 1 1 59 59 ALA HA H 59 3.802 3.802 4.109 -0.307 19635 3200 1 7 . 1 1 59 59 ALA C C 59 179.360 179.360 179.292 0.068 19635 3201 1 7 . 1 1 59 59 ALA CA C 59 55.149 55.149 54.268 0.881 19635 3202 1 7 . 1 1 59 59 ALA CB C 59 17.509 17.509 18.061 -0.552 19635 3203 1 7 . 1 1 59 59 ALA H H 59 7.390 7.390 7.976 -0.586 19635 3204 1 7 . 1 1 60 60 ALA N N 60 119.393 119.393 121.412 -2.019 19635 3205 1 7 . 1 1 60 60 ALA HA H 60 4.279 4.279 4.073 0.206 19635 3206 1 7 . 1 1 60 60 ALA C C 60 179.315 179.315 179.653 -0.338 19635 3207 1 7 . 1 1 60 60 ALA CA C 60 54.644 54.644 54.854 -0.210 19635 3208 1 7 . 1 1 60 60 ALA CB C 60 17.625 17.625 18.384 -0.759 19635 3209 1 7 . 1 1 60 60 ALA H H 60 7.944 7.944 7.745 0.199 19635 3210 1 7 . 1 1 61 61 ARG N N 61 116.621 116.621 118.388 -1.767 19635 3211 1 7 . 1 1 61 61 ARG HA H 61 4.229 4.229 4.061 0.168 19635 3212 1 7 . 1 1 61 61 ARG C C 61 180.214 180.214 178.918 1.296 19635 3213 1 7 . 1 1 61 61 ARG CA C 61 59.519 59.519 59.459 0.060 19635 3214 1 7 . 1 1 61 61 ARG CB C 61 31.216 31.216 30.133 1.083 19635 3215 1 7 . 1 1 61 61 ARG H H 61 7.739 7.739 7.627 0.112 19635 3216 1 7 . 1 1 62 62 ILE N N 62 117.642 117.642 118.941 -1.299 19635 3217 1 7 . 1 1 62 62 ILE HA H 62 3.742 3.742 4.006 -0.264 19635 3218 1 7 . 1 1 62 62 ILE C C 62 178.214 178.214 177.899 0.315 19635 3219 1 7 . 1 1 62 62 ILE CA C 62 63.705 63.705 64.105 -0.400 19635 3220 1 7 . 1 1 62 62 ILE CB C 62 36.221 36.221 37.713 -1.492 19635 3221 1 7 . 1 1 62 62 ILE H H 62 7.315 7.315 7.259 0.056 19635 3222 1 7 . 1 1 63 63 GLY N N 63 107.326 107.326 108.924 -1.598 19635 3223 1 7 . 1 1 63 63 GLY C C 63 176.152 176.152 175.673 0.479 19635 3224 1 7 . 1 1 63 63 GLY CA C 63 47.975 47.975 47.660 0.315 19635 3225 1 7 . 1 1 63 63 GLY H H 63 7.862 7.862 8.722 -0.860 19635 3226 1 7 . 1 1 64 64 ASP N N 64 121.729 121.729 122.703 -0.974 19635 3227 1 7 . 1 1 64 64 ASP HA H 64 4.447 4.447 4.717 -0.270 19635 3228 1 7 . 1 1 64 64 ASP C C 64 178.338 178.338 177.968 0.370 19635 3229 1 7 . 1 1 64 64 ASP CA C 64 57.516 57.516 56.749 0.767 19635 3230 1 7 . 1 1 64 64 ASP CB C 64 40.135 40.135 41.096 -0.961 19635 3231 1 7 . 1 1 64 64 ASP H H 64 8.899 8.899 7.987 0.912 19635 3232 1 7 . 1 1 65 65 PHE N N 65 122.347 122.347 121.806 0.541 19635 3233 1 7 . 1 1 65 65 PHE HA H 65 4.259 4.259 4.100 0.159 19635 3234 1 7 . 1 1 65 65 PHE C C 65 176.989 176.989 177.314 -0.325 19635 3235 1 7 . 1 1 65 65 PHE CA C 65 61.357 61.357 61.466 -0.109 19635 3236 1 7 . 1 1 65 65 PHE CB C 65 39.589 39.589 39.045 0.544 19635 3237 1 7 . 1 1 65 65 PHE H H 65 7.662 7.662 7.760 -0.098 19635 3238 1 7 . 1 1 66 66 TYR N N 66 117.664 117.664 117.858 -0.194 19635 3239 1 7 . 1 1 66 66 TYR HA H 66 3.752 3.752 4.181 -0.429 19635 3240 1 7 . 1 1 66 66 TYR C C 66 179.253 179.253 178.410 0.843 19635 3241 1 7 . 1 1 66 66 TYR CA C 66 63.822 63.822 62.741 1.081 19635 3242 1 7 . 1 1 66 66 TYR CB C 66 38.532 38.532 38.327 0.205 19635 3243 1 7 . 1 1 66 66 TYR H H 66 8.105 8.105 8.634 -0.529 19635 3244 1 7 . 1 1 67 67 GLN N N 67 117.372 117.372 117.563 -0.191 19635 3245 1 7 . 1 1 67 67 GLN HA H 67 3.752 3.752 4.212 -0.460 19635 3246 1 7 . 1 1 67 67 GLN C C 67 180.322 180.322 179.187 1.135 19635 3247 1 7 . 1 1 67 67 GLN CA C 67 59.714 59.714 59.077 0.637 19635 3248 1 7 . 1 1 67 67 GLN CB C 67 27.759 27.759 28.441 -0.681 19635 3249 1 7 . 1 1 67 67 GLN H H 67 8.263 8.263 8.011 0.252 19635 3250 1 7 . 1 1 68 68 GLU N N 68 122.805 122.805 119.556 3.249 19635 3251 1 7 . 1 1 68 68 GLU HA H 68 4.130 4.130 4.115 0.015 19635 3252 1 7 . 1 1 68 68 GLU C C 68 178.400 178.400 177.425 0.975 19635 3253 1 7 . 1 1 68 68 GLU CA C 68 56.062 56.062 58.379 -2.317 19635 3254 1 7 . 1 1 68 68 GLU CB C 68 41.955 41.955 29.365 12.590 19635 3255 1 7 . 1 1 68 68 GLU H H 68 8.525 8.525 8.042 0.483 19635 3256 1 7 . 1 1 69 69 LYS N N 69 116.254 116.254 116.857 -0.603 19635 3257 1 7 . 1 1 69 69 LYS HA H 69 4.223 4.223 4.274 -0.051 19635 3258 1 7 . 1 1 69 69 LYS C C 69 176.090 176.090 176.508 -0.418 19635 3259 1 7 . 1 1 69 69 LYS CA C 69 54.692 54.692 55.362 -0.670 19635 3260 1 7 . 1 1 69 69 LYS CB C 69 31.685 31.685 32.212 -0.527 19635 3261 1 7 . 1 1 69 69 LYS H H 69 7.413 7.413 7.500 -0.087 19635 3262 1 7 . 1 1 70 70 GLY N N 70 105.876 105.876 106.164 -0.288 19635 3263 1 7 . 1 1 70 70 GLY C C 70 174.602 174.602 174.799 -0.197 19635 3264 1 7 . 1 1 70 70 GLY CA C 70 45.197 45.197 44.800 0.397 19635 3265 1 7 . 1 1 70 70 GLY H H 70 7.770 7.770 7.651 0.119 19635 3266 1 7 . 1 1 71 71 TYR N N 71 124.341 124.341 122.048 2.293 19635 3267 1 7 . 1 1 71 71 TYR HA H 71 4.795 4.795 4.666 0.129 19635 3268 1 7 . 1 1 71 71 TYR C C 71 177.082 177.082 176.203 0.879 19635 3269 1 7 . 1 1 71 71 TYR CA C 71 57.431 57.431 57.361 0.070 19635 3270 1 7 . 1 1 71 71 TYR CB C 71 36.524 36.524 36.358 0.166 19635 3271 1 7 . 1 1 71 71 TYR H H 71 8.387 8.387 8.140 0.247 19635 3272 1 7 . 1 1 72 72 VAL N N 72 113.636 113.636 122.439 -8.803 19635 3273 1 7 . 1 1 72 72 VAL HA H 72 4.010 4.010 3.812 0.198 19635 3274 1 7 . 1 1 72 72 VAL C C 72 176.989 176.989 176.677 0.312 19635 3275 1 7 . 1 1 72 72 VAL CA C 72 64.251 64.251 65.162 -0.911 19635 3276 1 7 . 1 1 72 72 VAL CB C 72 31.440 31.440 31.649 -0.209 19635 3277 1 7 . 1 1 72 72 VAL H H 72 7.239 7.239 7.855 -0.616 19635 3278 1 7 . 1 1 73 73 LEU N N 73 120.170 120.170 117.032 3.138 19635 3279 1 7 . 1 1 73 73 LEU HA H 73 4.487 4.487 4.352 0.135 19635 3280 1 7 . 1 1 73 73 LEU C C 73 176.927 176.927 176.269 0.658 19635 3281 1 7 . 1 1 73 73 LEU CA C 73 54.474 54.474 54.278 0.196 19635 3282 1 7 . 1 1 73 73 LEU CB C 73 41.819 41.819 41.405 0.414 19635 3283 1 7 . 1 1 73 73 LEU H H 73 8.765 8.765 7.800 0.965 19635 3284 1 7 . 1 1 74 74 ALA N N 74 122.084 122.084 121.794 0.290 19635 3285 1 7 . 1 1 74 74 ALA HA H 74 4.537 4.537 4.688 -0.151 19635 3286 1 7 . 1 1 74 74 ALA C C 74 177.516 177.516 176.775 0.741 19635 3287 1 7 . 1 1 74 74 ALA CA C 74 52.329 52.329 51.767 0.562 19635 3288 1 7 . 1 1 74 74 ALA CB C 74 21.065 21.065 20.204 0.861 19635 3289 1 7 . 1 1 74 74 ALA H H 74 7.322 7.322 7.479 -0.157 19635 3290 1 7 . 1 1 75 75 ARG N N 75 118.061 118.061 122.572 -4.511 19635 3291 1 7 . 1 1 75 75 ARG HA H 75 4.606 4.606 4.602 0.004 19635 3292 1 7 . 1 1 75 75 ARG C C 75 173.036 173.036 173.863 -0.827 19635 3293 1 7 . 1 1 75 75 ARG CA C 75 54.604 54.604 55.334 -0.730 19635 3294 1 7 . 1 1 75 75 ARG CB C 75 34.037 34.037 34.195 -0.158 19635 3295 1 7 . 1 1 75 75 ARG H H 75 8.521 8.521 9.084 -0.563 19635 3296 1 7 . 1 1 76 76 ALA N N 76 122.847 122.847 128.349 -5.502 19635 3297 1 7 . 1 1 76 76 ALA HA H 76 5.533 5.533 5.173 0.360 19635 3298 1 7 . 1 1 76 76 ALA C C 76 176.028 176.028 175.679 0.349 19635 3299 1 7 . 1 1 76 76 ALA CA C 76 50.219 50.219 50.551 -0.332 19635 3300 1 7 . 1 1 76 76 ALA CB C 76 22.464 22.464 20.935 1.529 19635 3301 1 7 . 1 1 76 76 ALA H H 76 8.553 8.553 8.654 -0.101 19635 3302 1 7 . 1 1 77 77 PHE N N 77 117.410 117.410 119.711 -2.301 19635 3303 1 7 . 1 1 77 77 PHE HA H 77 4.922 4.922 5.056 -0.134 19635 3304 1 7 . 1 1 77 77 PHE C C 77 172.091 172.091 173.346 -1.255 19635 3305 1 7 . 1 1 77 77 PHE CA C 77 55.697 55.697 55.600 0.097 19635 3306 1 7 . 1 1 77 77 PHE CB C 77 41.637 41.637 41.837 -0.200 19635 3307 1 7 . 1 1 77 77 PHE H H 77 9.079 9.079 8.526 0.553 19635 3308 1 7 . 1 1 78 78 LEU N N 78 123.541 123.541 123.671 -0.130 19635 3309 1 7 . 1 1 78 78 LEU HA H 78 5.023 5.023 4.881 0.142 19635 3310 1 7 . 1 1 78 78 LEU C C 78 174.494 174.494 175.134 -0.640 19635 3311 1 7 . 1 1 78 78 LEU CA C 78 51.328 51.328 51.154 0.174 19635 3312 1 7 . 1 1 78 78 LEU CB C 78 42.774 42.774 45.014 -2.240 19635 3313 1 7 . 1 1 78 78 LEU H H 78 9.031 9.031 8.797 0.234 19635 3314 1 7 . 1 1 79 79 PRO HA H 79 4.661 4.661 4.563 0.098 19635 3315 1 7 . 1 1 79 79 PRO C C 79 176.239 176.239 176.157 0.082 19635 3316 1 7 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.980 -0.913 19635 3317 1 7 . 1 1 79 79 PRO CB C 79 32.672 32.672 31.398 1.274 19635 3318 1 7 . 1 1 80 80 ALA N N 80 124.122 124.122 128.186 -4.064 19635 3319 1 7 . 1 1 80 80 ALA HA H 80 4.379 4.379 4.425 -0.046 19635 3320 1 7 . 1 1 80 80 ALA C C 80 177.807 177.807 178.593 -0.786 19635 3321 1 7 . 1 1 80 80 ALA CA C 80 53.291 53.291 52.171 1.120 19635 3322 1 7 . 1 1 80 80 ALA CB C 80 17.692 17.692 18.702 -1.010 19635 3323 1 7 . 1 1 80 80 ALA H H 80 8.488 8.488 8.413 0.075 19635 3324 1 7 . 1 1 81 81 GLN N N 81 118.018 118.018 119.520 -1.502 19635 3325 1 7 . 1 1 81 81 GLN HA H 81 5.234 5.234 4.246 0.988 19635 3326 1 7 . 1 1 81 81 GLN C C 81 173.284 173.284 176.244 -2.960 19635 3327 1 7 . 1 1 81 81 GLN CA C 81 55.332 55.332 57.075 -1.744 19635 3328 1 7 . 1 1 81 81 GLN CB C 81 31.580 31.580 29.092 2.488 19635 3329 1 7 . 1 1 81 81 GLN H H 81 8.157 8.157 8.095 0.062 19635 3330 1 7 . 1 1 83 83 ILE HA H 83 4.121 4.121 4.311 -0.190 19635 3331 1 7 . 1 1 83 83 ILE C C 83 175.873 175.873 175.470 0.403 19635 3332 1 7 . 1 1 83 83 ILE CA C 83 62.249 62.249 60.571 1.678 19635 3333 1 7 . 1 1 83 83 ILE CB C 83 37.495 37.495 38.891 -1.396 19635 3334 1 7 . 1 1 84 84 GLN N N 84 126.522 126.522 125.878 0.644 19635 3335 1 7 . 1 1 84 84 GLN HA H 84 4.111 4.111 4.272 -0.161 19635 3336 1 7 . 1 1 84 84 GLN C C 84 176.028 176.028 175.490 0.538 19635 3337 1 7 . 1 1 84 84 GLN CA C 84 61.521 61.521 55.133 6.388 19635 3338 1 7 . 1 1 84 84 GLN CB C 84 37.464 37.464 29.163 8.301 19635 3339 1 7 . 1 1 84 84 GLN H H 84 8.679 8.679 8.420 0.259 19635 3340 1 7 . 1 1 85 85 ASP HA H 85 4.488 4.488 4.454 0.034 19635 3341 1 7 . 1 1 85 85 ASP C C 85 176.709 176.709 175.561 1.148 19635 3342 1 7 . 1 1 85 85 ASP CA C 85 54.513 54.513 53.870 0.643 19635 3343 1 7 . 1 1 85 85 ASP CB C 85 40.643 40.643 39.219 1.424 19635 3344 1 7 . 1 1 86 86 GLY N N 86 104.397 104.397 109.169 -4.772 19635 3345 1 7 . 1 1 86 86 GLY C C 86 174.308 174.308 172.945 1.363 19635 3346 1 7 . 1 1 86 86 GLY CA C 86 46.323 46.323 45.836 0.487 19635 3347 1 7 . 1 1 86 86 GLY H H 86 8.310 8.310 8.321 -0.011 19635 3348 1 7 . 1 1 87 87 THR N N 87 119.045 119.045 121.006 -1.961 19635 3349 1 7 . 1 1 87 87 THR HA H 87 4.670 4.670 5.017 -0.347 19635 3350 1 7 . 1 1 87 87 THR C C 87 172.943 172.943 174.073 -1.130 19635 3351 1 7 . 1 1 87 87 THR CA C 87 61.905 61.905 62.379 -0.474 19635 3352 1 7 . 1 1 87 87 THR CB C 87 68.779 68.779 69.814 -1.035 19635 3353 1 7 . 1 1 87 87 THR H H 87 7.877 7.877 7.909 -0.032 19635 3354 1 7 . 1 1 88 88 VAL N N 88 127.859 127.859 122.337 5.522 19635 3355 1 7 . 1 1 88 88 VAL HA H 88 4.110 4.110 4.463 -0.353 19635 3356 1 7 . 1 1 88 88 VAL C C 88 174.463 174.463 174.082 0.381 19635 3357 1 7 . 1 1 88 88 VAL CA C 88 61.157 61.157 59.571 1.586 19635 3358 1 7 . 1 1 88 88 VAL CB C 88 33.237 33.237 34.224 -0.987 19635 3359 1 7 . 1 1 88 88 VAL H H 88 8.241 8.241 8.487 -0.246 19635 3360 1 7 . 1 1 89 89 ARG N N 89 129.825 129.825 126.818 3.007 19635 3361 1 7 . 1 1 89 89 ARG HA H 89 5.234 5.234 5.345 -0.111 19635 3362 1 7 . 1 1 89 89 ARG C C 89 175.470 175.470 175.563 -0.093 19635 3363 1 7 . 1 1 89 89 ARG CA C 89 55.357 55.357 54.858 0.499 19635 3364 1 7 . 1 1 89 89 ARG CB C 89 31.594 31.594 32.530 -0.936 19635 3365 1 7 . 1 1 89 89 ARG H H 89 9.541 9.541 8.585 0.956 19635 3366 1 7 . 1 1 90 90 ILE N N 90 123.428 123.428 126.708 -3.280 19635 3367 1 7 . 1 1 90 90 ILE HA H 90 4.299 4.299 4.395 -0.096 19635 3368 1 7 . 1 1 90 90 ILE C C 90 174.106 174.106 174.318 -0.212 19635 3369 1 7 . 1 1 90 90 ILE CA C 90 60.444 60.444 60.380 0.063 19635 3370 1 7 . 1 1 90 90 ILE CB C 90 41.390 41.390 40.719 0.671 19635 3371 1 7 . 1 1 90 90 ILE H H 90 8.641 8.641 9.178 -0.537 19635 3372 1 7 . 1 1 91 91 GLU N N 91 126.760 126.760 127.117 -0.357 19635 3373 1 7 . 1 1 91 91 GLU HA H 91 4.903 4.903 4.686 0.217 19635 3374 1 7 . 1 1 91 91 GLU C C 91 174.246 174.246 175.485 -1.239 19635 3375 1 7 . 1 1 91 91 GLU CA C 91 54.422 54.422 55.094 -0.672 19635 3376 1 7 . 1 1 91 91 GLU CB C 91 32.035 32.035 30.812 1.223 19635 3377 1 7 . 1 1 91 91 GLU H H 91 8.388 8.388 8.780 -0.392 19635 3378 1 7 . 1 1 92 92 VAL N N 92 122.222 122.222 125.565 -3.343 19635 3379 1 7 . 1 1 92 92 VAL HA H 92 4.385 4.385 3.980 0.405 19635 3380 1 7 . 1 1 92 92 VAL C C 92 174.835 174.835 174.935 -0.100 19635 3381 1 7 . 1 1 92 92 VAL CA C 92 61.066 61.066 61.701 -0.635 19635 3382 1 7 . 1 1 92 92 VAL CB C 92 33.946 33.946 31.628 2.318 19635 3383 1 7 . 1 1 92 92 VAL H H 92 8.790 8.790 9.124 -0.334 19635 3384 1 7 . 1 1 93 93 LEU N N 93 128.617 128.617 130.613 -1.996 19635 3385 1 7 . 1 1 93 93 LEU HA H 93 4.812 4.812 4.562 0.250 19635 3386 1 7 . 1 1 93 93 LEU C C 93 176.540 176.540 176.545 -0.005 19635 3387 1 7 . 1 1 93 93 LEU CA C 93 53.148 53.148 54.001 -0.853 19635 3388 1 7 . 1 1 93 93 LEU CB C 93 43.229 43.229 41.854 1.375 19635 3389 1 7 . 1 1 93 93 LEU H H 93 8.980 8.980 8.673 0.307 19635 3390 1 7 . 1 1 94 94 GLU N N 94 123.476 123.476 125.756 -2.280 19635 3391 1 7 . 1 1 94 94 GLU HA H 94 3.821 3.821 4.005 -0.184 19635 3392 1 7 . 1 1 94 94 GLU C C 94 175.408 175.408 176.214 -0.806 19635 3393 1 7 . 1 1 94 94 GLU CA C 94 57.797 57.797 57.349 0.448 19635 3394 1 7 . 1 1 94 94 GLU CB C 94 29.676 29.676 30.016 -0.340 19635 3395 1 7 . 1 1 94 94 GLU H H 94 8.930 8.930 8.104 0.826 19635 3396 1 8 . 1 1 8 8 HIS HA H 8 4.637 4.637 4.278 0.359 19635 3397 1 8 . 1 1 8 8 HIS C C 8 174.897 174.897 173.655 1.242 19635 3398 1 8 . 1 1 8 8 HIS CA C 8 56.534 56.534 56.556 -0.022 19635 3399 1 8 . 1 1 8 8 HIS CB C 8 31.030 31.030 29.129 1.901 19635 3400 1 8 . 1 1 9 9 VAL N N 9 121.834 121.834 121.829 0.005 19635 3401 1 8 . 1 1 9 9 VAL HA H 9 4.111 4.111 3.700 0.411 19635 3402 1 8 . 1 1 9 9 VAL C C 9 175.486 175.486 174.260 1.226 19635 3403 1 8 . 1 1 9 9 VAL CA C 9 62.115 62.115 62.660 -0.545 19635 3404 1 8 . 1 1 9 9 VAL CB C 9 33.036 33.036 32.264 0.772 19635 3405 1 8 . 1 1 9 9 VAL H H 9 7.998 7.998 8.026 -0.028 19635 3406 1 8 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.948 -0.365 19635 3407 1 8 . 1 1 10 10 ASP CA C 10 54.510 54.510 52.787 1.723 19635 3408 1 8 . 1 1 10 10 ASP CB C 10 41.545 41.545 43.448 -1.903 19635 3409 1 8 . 1 1 11 11 ASP HA H 11 4.583 4.583 4.551 0.032 19635 3410 1 8 . 1 1 11 11 ASP C C 11 176.012 176.012 176.001 0.011 19635 3411 1 8 . 1 1 11 11 ASP CA C 11 54.692 54.692 53.117 1.575 19635 3412 1 8 . 1 1 11 11 ASP CB C 11 41.545 41.545 40.871 0.674 19635 3413 1 8 . 1 1 12 12 ASP N N 12 120.751 120.751 118.825 1.926 19635 3414 1 8 . 1 1 12 12 ASP HA H 12 4.581 4.581 4.173 0.408 19635 3415 1 8 . 1 1 12 12 ASP C C 12 176.385 176.385 175.058 1.327 19635 3416 1 8 . 1 1 12 12 ASP CA C 12 54.695 54.695 55.742 -1.047 19635 3417 1 8 . 1 1 12 12 ASP CB C 12 41.363 41.363 39.542 1.821 19635 3418 1 8 . 1 1 12 12 ASP H H 12 8.249 8.249 8.218 0.031 19635 3419 1 8 . 1 1 13 13 ASP N N 13 120.536 120.536 115.867 4.669 19635 3420 1 8 . 1 1 13 13 ASP HA H 13 4.576 4.576 4.133 0.443 19635 3421 1 8 . 1 1 13 13 ASP C C 13 176.818 176.818 175.140 1.678 19635 3422 1 8 . 1 1 13 13 ASP CA C 13 54.877 54.877 55.176 -0.299 19635 3423 1 8 . 1 1 13 13 ASP CB C 13 41.318 41.318 39.847 1.471 19635 3424 1 8 . 1 1 13 13 ASP H H 13 8.291 8.291 8.276 0.015 19635 3425 1 8 . 1 1 14 14 LYS N N 14 120.496 120.496 117.015 3.481 19635 3426 1 8 . 1 1 14 14 LYS HA H 14 4.303 4.303 3.815 0.488 19635 3427 1 8 . 1 1 14 14 LYS C C 14 177.190 177.190 174.707 2.483 19635 3428 1 8 . 1 1 14 14 LYS CA C 14 56.788 56.788 57.430 -0.642 19635 3429 1 8 . 1 1 14 14 LYS CB C 14 32.399 32.399 30.912 1.488 19635 3430 1 8 . 1 1 14 14 LYS H H 14 8.181 8.181 9.254 -1.073 19635 3431 1 8 . 1 1 15 15 MET N N 15 119.518 119.518 123.447 -3.929 19635 3432 1 8 . 1 1 15 15 MET HA H 15 4.546 4.546 4.543 0.003 19635 3433 1 8 . 1 1 15 15 MET C C 15 176.881 176.881 175.301 1.580 19635 3434 1 8 . 1 1 15 15 MET CA C 15 55.696 55.696 54.913 0.783 19635 3435 1 8 . 1 1 15 15 MET CB C 15 32.490 32.490 33.896 -1.406 19635 3436 1 8 . 1 1 15 15 MET H H 15 8.276 8.276 7.645 0.631 19635 3437 1 8 . 1 1 16 16 GLY N N 16 109.506 109.506 111.356 -1.850 19635 3438 1 8 . 1 1 16 16 GLY C C 16 174.432 174.432 174.120 0.312 19635 3439 1 8 . 1 1 16 16 GLY CA C 16 45.498 45.498 44.859 0.639 19635 3440 1 8 . 1 1 16 16 GLY H H 16 8.373 8.373 8.809 -0.436 19635 3441 1 8 . 1 1 17 17 GLY N N 17 108.711 108.711 106.176 2.535 19635 3442 1 8 . 1 1 17 17 GLY C C 17 171.409 171.409 171.819 -0.410 19635 3443 1 8 . 1 1 17 17 GLY CA C 17 44.685 44.685 44.200 0.485 19635 3444 1 8 . 1 1 17 17 GLY H H 17 8.116 8.116 7.793 0.323 19635 3445 1 8 . 1 1 18 18 PRO HA H 18 4.744 4.744 4.439 0.305 19635 3446 1 8 . 1 1 18 18 PRO C C 18 176.462 176.462 176.458 0.004 19635 3447 1 8 . 1 1 18 18 PRO CA C 18 62.795 62.795 63.095 -0.300 19635 3448 1 8 . 1 1 18 18 PRO CB C 18 35.220 35.220 32.209 3.011 19635 3449 1 8 . 1 1 19 19 THR N N 19 111.524 111.524 112.974 -1.450 19635 3450 1 8 . 1 1 19 19 THR HA H 19 4.744 4.744 4.748 -0.004 19635 3451 1 8 . 1 1 19 19 THR C C 19 173.827 173.827 174.373 -0.546 19635 3452 1 8 . 1 1 19 19 THR CA C 19 59.988 59.988 60.480 -0.492 19635 3453 1 8 . 1 1 19 19 THR CB C 19 71.622 71.622 70.996 0.627 19635 3454 1 8 . 1 1 19 19 THR H H 19 8.229 8.229 8.187 0.042 19635 3455 1 8 . 1 1 20 20 VAL N N 20 119.259 119.259 124.409 -5.150 19635 3456 1 8 . 1 1 20 20 VAL HA H 20 4.378 4.378 4.324 0.054 19635 3457 1 8 . 1 1 20 20 VAL C C 20 173.718 173.718 174.632 -0.914 19635 3458 1 8 . 1 1 20 20 VAL CA C 20 59.714 59.714 61.163 -1.449 19635 3459 1 8 . 1 1 20 20 VAL CB C 20 35.482 35.482 34.568 0.914 19635 3460 1 8 . 1 1 20 20 VAL H H 20 8.740 8.740 9.151 -0.411 19635 3461 1 8 . 1 1 21 21 LEU N N 21 127.557 127.557 130.181 -2.624 19635 3462 1 8 . 1 1 21 21 LEU HA H 21 4.427 4.427 4.585 -0.158 19635 3463 1 8 . 1 1 21 21 LEU C C 21 175.362 175.362 175.751 -0.389 19635 3464 1 8 . 1 1 21 21 LEU CA C 21 54.604 54.604 55.049 -0.445 19635 3465 1 8 . 1 1 21 21 LEU CB C 21 40.720 40.720 42.087 -1.367 19635 3466 1 8 . 1 1 21 21 LEU H H 21 8.229 8.229 8.683 -0.454 19635 3467 1 8 . 1 1 22 22 VAL N N 22 128.501 128.501 127.481 1.020 19635 3468 1 8 . 1 1 22 22 VAL HA H 22 3.648 3.648 3.951 -0.303 19635 3469 1 8 . 1 1 22 22 VAL C C 22 175.346 175.346 175.608 -0.262 19635 3470 1 8 . 1 1 22 22 VAL CA C 22 63.146 63.146 62.160 0.986 19635 3471 1 8 . 1 1 22 22 VAL CB C 22 32.151 32.151 31.048 1.103 19635 3472 1 8 . 1 1 22 22 VAL H H 22 8.132 8.132 8.265 -0.133 19635 3473 1 8 . 1 1 23 23 LYS N N 23 127.302 127.302 129.480 -2.178 19635 3474 1 8 . 1 1 23 23 LYS HA H 23 4.420 4.420 4.466 -0.046 19635 3475 1 8 . 1 1 23 23 LYS C C 23 176.385 176.385 176.084 0.301 19635 3476 1 8 . 1 1 23 23 LYS CA C 23 56.975 56.975 57.356 -0.381 19635 3477 1 8 . 1 1 23 23 LYS CB C 23 34.150 34.150 33.784 0.366 19635 3478 1 8 . 1 1 23 23 LYS H H 23 9.694 9.694 9.076 0.618 19635 3479 1 8 . 1 1 24 24 ARG N N 24 114.443 114.443 116.170 -1.727 19635 3480 1 8 . 1 1 24 24 ARG HA H 24 4.468 4.468 4.629 -0.161 19635 3481 1 8 . 1 1 24 24 ARG C C 24 172.401 172.401 173.756 -1.355 19635 3482 1 8 . 1 1 24 24 ARG CA C 24 54.596 54.596 55.399 -0.803 19635 3483 1 8 . 1 1 24 24 ARG CB C 24 32.125 32.125 32.524 -0.399 19635 3484 1 8 . 1 1 24 24 ARG H H 24 7.735 7.735 7.686 0.049 19635 3485 1 8 . 1 1 25 25 PHE N N 25 117.669 117.669 118.682 -1.013 19635 3486 1 8 . 1 1 25 25 PHE HA H 25 5.561 5.561 5.597 -0.036 19635 3487 1 8 . 1 1 25 25 PHE C C 25 174.618 174.618 175.620 -1.002 19635 3488 1 8 . 1 1 25 25 PHE CA C 25 56.333 56.333 56.434 -0.101 19635 3489 1 8 . 1 1 25 25 PHE CB C 25 42.319 42.319 41.597 0.722 19635 3490 1 8 . 1 1 25 25 PHE H H 25 8.550 8.550 8.622 -0.072 19635 3491 1 8 . 1 1 26 26 GLN N N 26 121.215 121.215 121.466 -0.251 19635 3492 1 8 . 1 1 26 26 GLN HA H 26 4.576 4.576 4.768 -0.192 19635 3493 1 8 . 1 1 26 26 GLN C C 26 173.904 173.904 173.891 0.013 19635 3494 1 8 . 1 1 26 26 GLN CA C 26 54.695 54.695 54.707 -0.012 19635 3495 1 8 . 1 1 26 26 GLN CB C 26 32.077 32.077 33.019 -0.942 19635 3496 1 8 . 1 1 26 26 GLN H H 26 8.926 8.926 9.274 -0.348 19635 3497 1 8 . 1 1 27 27 LEU N N 27 126.971 126.971 125.496 1.475 19635 3498 1 8 . 1 1 27 27 LEU HA H 27 5.285 5.285 5.467 -0.182 19635 3499 1 8 . 1 1 27 27 LEU C C 27 177.098 177.098 175.879 1.219 19635 3500 1 8 . 1 1 27 27 LEU CA C 27 53.512 53.512 53.020 0.492 19635 3501 1 8 . 1 1 27 27 LEU CB C 27 44.048 44.048 45.000 -0.952 19635 3502 1 8 . 1 1 27 27 LEU H H 27 8.906 8.906 9.588 -0.682 19635 3503 1 8 . 1 1 28 28 SER N N 28 114.562 114.562 115.618 -1.056 19635 3504 1 8 . 1 1 28 28 SER HA H 28 4.866 4.866 4.724 0.142 19635 3505 1 8 . 1 1 28 28 SER C C 28 173.811 173.811 174.541 -0.730 19635 3506 1 8 . 1 1 28 28 SER CA C 28 57.249 57.249 57.140 0.109 19635 3507 1 8 . 1 1 28 28 SER CB C 28 65.161 65.161 64.470 0.691 19635 3508 1 8 . 1 1 28 28 SER H H 28 8.114 8.114 8.757 -0.643 19635 3509 1 8 . 1 1 29 29 GLY N N 29 112.273 112.273 113.420 -1.147 19635 3510 1 8 . 1 1 29 29 GLY C C 29 173.548 173.548 173.242 0.306 19635 3511 1 8 . 1 1 29 29 GLY CA C 29 45.235 45.235 45.510 -0.274 19635 3512 1 8 . 1 1 29 29 GLY H H 29 8.714 8.714 8.837 -0.123 19635 3513 1 8 . 1 1 30 30 ASN N N 30 114.106 114.106 117.570 -3.464 19635 3514 1 8 . 1 1 30 30 ASN HA H 30 4.536 4.536 4.743 -0.207 19635 3515 1 8 . 1 1 30 30 ASN C C 30 174.804 174.804 175.122 -0.318 19635 3516 1 8 . 1 1 30 30 ASN CA C 30 53.876 53.876 52.724 1.152 19635 3517 1 8 . 1 1 30 30 ASN CB C 30 37.495 37.495 37.649 -0.154 19635 3518 1 8 . 1 1 30 30 ASN H H 30 9.436 9.436 8.037 1.399 19635 3519 1 8 . 1 1 31 31 ARG N N 31 124.382 124.382 123.822 0.560 19635 3520 1 8 . 1 1 31 31 ARG HA H 31 4.408 4.408 4.519 -0.111 19635 3521 1 8 . 1 1 31 31 ARG C C 31 177.656 177.656 177.153 0.503 19635 3522 1 8 . 1 1 31 31 ARG CA C 31 57.066 57.066 56.661 0.405 19635 3523 1 8 . 1 1 31 31 ARG CB C 31 32.689 32.689 31.035 1.654 19635 3524 1 8 . 1 1 31 31 ARG H H 31 9.427 9.427 9.539 -0.112 19635 3525 1 8 . 1 1 32 32 GLN N N 32 122.307 122.307 118.186 4.121 19635 3526 1 8 . 1 1 32 32 GLN HA H 32 3.804 3.804 3.935 -0.131 19635 3527 1 8 . 1 1 32 32 GLN C C 32 175.005 175.005 175.895 -0.890 19635 3528 1 8 . 1 1 32 32 GLN CA C 32 57.243 57.243 57.254 -0.011 19635 3529 1 8 . 1 1 32 32 GLN CB C 32 28.850 28.850 29.071 -0.221 19635 3530 1 8 . 1 1 32 32 GLN H H 32 10.333 10.333 8.980 1.353 19635 3531 1 8 . 1 1 33 33 PHE N N 33 110.633 110.633 117.688 -7.055 19635 3532 1 8 . 1 1 33 33 PHE HA H 33 4.815 4.815 4.599 0.216 19635 3533 1 8 . 1 1 33 33 PHE C C 33 174.215 174.215 174.454 -0.239 19635 3534 1 8 . 1 1 33 33 PHE CA C 33 55.514 55.514 56.656 -1.142 19635 3535 1 8 . 1 1 33 33 PHE CB C 33 43.006 43.006 41.694 1.312 19635 3536 1 8 . 1 1 33 33 PHE H H 33 6.698 6.698 7.566 -0.868 19635 3537 1 8 . 1 1 34 34 ASP N N 34 120.588 120.588 120.837 -0.249 19635 3538 1 8 . 1 1 34 34 ASP HA H 34 4.547 4.547 4.634 -0.087 19635 3539 1 8 . 1 1 34 34 ASP C C 34 175.253 175.253 176.513 -1.260 19635 3540 1 8 . 1 1 34 34 ASP CA C 34 52.684 52.684 53.241 -0.557 19635 3541 1 8 . 1 1 34 34 ASP CB C 34 42.276 42.276 42.811 -0.535 19635 3542 1 8 . 1 1 34 34 ASP H H 34 8.477 8.477 8.497 -0.020 19635 3543 1 8 . 1 1 35 35 ASP N N 35 118.353 118.353 121.033 -2.680 19635 3544 1 8 . 1 1 35 35 ASP HA H 35 4.022 4.022 4.202 -0.180 19635 3545 1 8 . 1 1 35 35 ASP C C 35 177.826 177.826 178.141 -0.315 19635 3546 1 8 . 1 1 35 35 ASP CA C 35 57.607 57.607 59.158 -1.551 19635 3547 1 8 . 1 1 35 35 ASP CB C 35 39.771 39.771 40.822 -1.051 19635 3548 1 8 . 1 1 35 35 ASP H H 35 8.507 8.507 8.795 -0.288 19635 3549 1 8 . 1 1 36 36 ARG N N 36 117.028 117.028 119.481 -2.453 19635 3550 1 8 . 1 1 36 36 ARG HA H 36 3.873 3.873 3.891 -0.018 19635 3551 1 8 . 1 1 36 36 ARG C C 36 179.206 179.206 178.355 0.851 19635 3552 1 8 . 1 1 36 36 ARG CA C 36 59.610 59.610 59.193 0.417 19635 3553 1 8 . 1 1 36 36 ARG CB C 36 29.422 29.422 30.237 -0.815 19635 3554 1 8 . 1 1 36 36 ARG H H 36 8.111 8.111 8.208 -0.097 19635 3555 1 8 . 1 1 37 37 ARG N N 37 119.265 119.265 119.195 0.070 19635 3556 1 8 . 1 1 37 37 ARG HA H 37 4.020 4.020 4.087 -0.067 19635 3557 1 8 . 1 1 37 37 ARG C C 37 177.950 177.950 178.726 -0.776 19635 3558 1 8 . 1 1 37 37 ARG CA C 37 57.698 57.698 58.348 -0.650 19635 3559 1 8 . 1 1 37 37 ARG CB C 37 30.124 30.124 29.602 0.522 19635 3560 1 8 . 1 1 37 37 ARG H H 37 7.826 7.826 7.850 -0.024 19635 3561 1 8 . 1 1 38 38 LEU N N 38 115.462 115.462 118.879 -3.417 19635 3562 1 8 . 1 1 38 38 LEU HA H 38 3.819 3.819 3.965 -0.146 19635 3563 1 8 . 1 1 38 38 LEU C C 38 179.067 179.067 179.456 -0.389 19635 3564 1 8 . 1 1 38 38 LEU CA C 38 56.333 56.333 56.143 0.190 19635 3565 1 8 . 1 1 38 38 LEU CB C 38 42.046 42.046 41.194 0.852 19635 3566 1 8 . 1 1 38 38 LEU H H 38 7.365 7.365 7.755 -0.390 19635 3567 1 8 . 1 1 39 39 LEU N N 39 117.922 117.922 121.711 -3.789 19635 3568 1 8 . 1 1 39 39 LEU HA H 39 3.823 3.823 3.864 -0.041 19635 3569 1 8 . 1 1 39 39 LEU C C 39 181.051 181.051 178.908 2.143 19635 3570 1 8 . 1 1 39 39 LEU CA C 39 57.607 57.607 57.544 0.063 19635 3571 1 8 . 1 1 39 39 LEU CB C 39 41.089 41.089 40.688 0.401 19635 3572 1 8 . 1 1 39 39 LEU H H 39 9.081 9.081 8.596 0.485 19635 3573 1 8 . 1 1 40 40 ALA N N 40 121.136 121.136 120.963 0.173 19635 3574 1 8 . 1 1 40 40 ALA HA H 40 4.077 4.077 4.015 0.062 19635 3575 1 8 . 1 1 40 40 ALA C C 40 180.059 180.059 179.793 0.266 19635 3576 1 8 . 1 1 40 40 ALA CA C 40 54.514 54.514 54.546 -0.032 19635 3577 1 8 . 1 1 40 40 ALA CB C 40 17.716 17.716 18.113 -0.397 19635 3578 1 8 . 1 1 40 40 ALA H H 40 7.266 7.266 7.611 -0.345 19635 3579 1 8 . 1 1 41 41 LEU N N 41 115.253 115.253 118.548 -3.295 19635 3580 1 8 . 1 1 41 41 LEU HA H 41 4.128 4.128 3.965 0.163 19635 3581 1 8 . 1 1 41 41 LEU C C 41 177.966 177.966 177.359 0.607 19635 3582 1 8 . 1 1 41 41 LEU CA C 41 55.971 55.971 57.246 -1.275 19635 3583 1 8 . 1 1 41 41 LEU CB C 41 42.093 42.093 42.059 0.034 19635 3584 1 8 . 1 1 41 41 LEU H H 41 7.215 7.215 7.368 -0.153 19635 3585 1 8 . 1 1 42 42 LEU N N 42 116.365 116.365 115.296 1.069 19635 3586 1 8 . 1 1 42 42 LEU HA H 42 4.298 4.298 4.411 -0.113 19635 3587 1 8 . 1 1 42 42 LEU C C 42 177.842 177.842 177.560 0.282 19635 3588 1 8 . 1 1 42 42 LEU CA C 42 53.232 53.232 51.804 1.427 19635 3589 1 8 . 1 1 42 42 LEU CB C 42 41.955 41.955 38.346 3.608 19635 3590 1 8 . 1 1 42 42 LEU H H 42 7.392 7.392 7.764 -0.372 19635 3591 1 8 . 1 1 43 43 HIS N N 43 117.222 117.222 119.756 -2.534 19635 3592 1 8 . 1 1 43 43 HIS HA H 43 4.279 4.279 4.207 0.072 19635 3593 1 8 . 1 1 43 43 HIS C C 43 174.494 174.494 175.409 -0.915 19635 3594 1 8 . 1 1 43 43 HIS CA C 43 59.428 59.428 58.984 0.444 19635 3595 1 8 . 1 1 43 43 HIS CB C 43 31.216 31.216 29.396 1.820 19635 3596 1 8 . 1 1 43 43 HIS H H 43 7.012 7.012 7.599 -0.587 19635 3597 1 8 . 1 1 44 44 ASP N N 44 116.296 116.296 116.725 -0.429 19635 3598 1 8 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.385 -0.047 19635 3599 1 8 . 1 1 44 44 ASP C C 44 176.385 176.385 175.751 0.634 19635 3600 1 8 . 1 1 44 44 ASP CA C 44 53.785 53.785 53.671 0.114 19635 3601 1 8 . 1 1 44 44 ASP CB C 44 38.989 38.989 40.304 -1.315 19635 3602 1 8 . 1 1 44 44 ASP H H 44 9.235 9.235 7.879 1.356 19635 3603 1 8 . 1 1 45 45 LEU N N 45 119.937 119.937 120.866 -0.929 19635 3604 1 8 . 1 1 45 45 LEU HA H 45 4.212 4.212 4.684 -0.471 19635 3605 1 8 . 1 1 45 45 LEU C C 45 173.563 173.563 175.429 -1.866 19635 3606 1 8 . 1 1 45 45 LEU CA C 45 57.881 57.881 56.333 1.548 19635 3607 1 8 . 1 1 45 45 LEU CB C 45 41.955 41.955 40.770 1.185 19635 3608 1 8 . 1 1 45 45 LEU H H 45 7.866 7.866 7.996 -0.130 19635 3609 1 8 . 1 1 46 46 PRO HA H 46 3.992 3.992 4.346 -0.354 19635 3610 1 8 . 1 1 46 46 PRO C C 46 177.160 177.160 177.740 -0.580 19635 3611 1 8 . 1 1 46 46 PRO CA C 46 65.036 65.036 62.866 2.170 19635 3612 1 8 . 1 1 46 46 PRO CB C 46 29.032 29.032 32.703 -3.671 19635 3613 1 8 . 1 1 47 47 GLY N N 47 111.431 111.431 107.403 4.028 19635 3614 1 8 . 1 1 47 47 GLY C C 47 173.827 173.827 174.101 -0.274 19635 3615 1 8 . 1 1 47 47 GLY CA C 47 44.685 44.685 45.197 -0.511 19635 3616 1 8 . 1 1 47 47 GLY H H 47 9.411 9.411 8.758 0.653 19635 3617 1 8 . 1 1 48 48 GLN N N 48 117.897 117.897 118.869 -0.972 19635 3618 1 8 . 1 1 48 48 GLN HA H 48 4.507 4.507 4.527 -0.020 19635 3619 1 8 . 1 1 48 48 GLN C C 48 174.525 174.525 174.064 0.461 19635 3620 1 8 . 1 1 48 48 GLN CA C 48 54.695 54.695 53.334 1.361 19635 3621 1 8 . 1 1 48 48 GLN CB C 48 31.034 31.034 32.372 -1.338 19635 3622 1 8 . 1 1 48 48 GLN H H 48 7.871 7.871 7.592 0.279 19635 3623 1 8 . 1 1 49 49 GLU N N 49 120.443 120.443 121.569 -1.126 19635 3624 1 8 . 1 1 49 49 GLU HA H 49 4.815 4.815 4.608 0.207 19635 3625 1 8 . 1 1 49 49 GLU C C 49 175.672 175.672 175.652 0.020 19635 3626 1 8 . 1 1 49 49 GLU CA C 49 55.423 55.423 55.778 -0.355 19635 3627 1 8 . 1 1 49 49 GLU CB C 49 30.224 30.224 29.890 0.334 19635 3628 1 8 . 1 1 49 49 GLU H H 49 8.369 8.369 8.718 -0.349 19635 3629 1 8 . 1 1 50 50 LEU N N 50 125.608 125.608 126.032 -0.424 19635 3630 1 8 . 1 1 50 50 LEU HA H 50 5.010 5.010 4.682 0.328 19635 3631 1 8 . 1 1 50 50 LEU C C 50 176.338 176.338 176.992 -0.654 19635 3632 1 8 . 1 1 50 50 LEU CA C 50 53.232 53.232 52.593 0.639 19635 3633 1 8 . 1 1 50 50 LEU CB C 50 45.413 45.413 41.502 3.911 19635 3634 1 8 . 1 1 50 50 LEU H H 50 8.663 8.663 8.158 0.505 19635 3635 1 8 . 1 1 51 51 ASN N N 51 118.769 118.769 121.238 -2.469 19635 3636 1 8 . 1 1 51 51 ASN HA H 51 5.183 5.183 5.259 -0.076 19635 3637 1 8 . 1 1 51 51 ASN C C 51 176.013 176.013 176.837 -0.824 19635 3638 1 8 . 1 1 51 51 ASN CA C 51 50.600 50.600 52.041 -1.441 19635 3639 1 8 . 1 1 51 51 ASN CB C 51 39.407 39.407 40.069 -0.662 19635 3640 1 8 . 1 1 51 51 ASN H H 51 8.897 8.897 9.048 -0.151 19635 3641 1 8 . 1 1 52 52 LEU N N 52 118.818 118.818 119.310 -0.492 19635 3642 1 8 . 1 1 52 52 LEU HA H 52 4.041 4.041 4.044 -0.003 19635 3643 1 8 . 1 1 52 52 LEU C C 52 179.036 179.036 178.959 0.077 19635 3644 1 8 . 1 1 52 52 LEU CA C 52 58.609 58.609 58.370 0.239 19635 3645 1 8 . 1 1 52 52 LEU CB C 52 41.773 41.773 40.685 1.088 19635 3646 1 8 . 1 1 52 52 LEU H H 52 8.585 8.585 8.232 0.353 19635 3647 1 8 . 1 1 53 53 SER N N 53 115.007 115.007 114.026 0.981 19635 3648 1 8 . 1 1 53 53 SER HA H 53 4.358 4.358 4.019 0.339 19635 3649 1 8 . 1 1 53 53 SER C C 53 178.307 178.307 176.958 1.349 19635 3650 1 8 . 1 1 53 53 SER CA C 53 62.270 62.270 61.737 0.533 19635 3651 1 8 . 1 1 53 53 SER CB C 53 62.340 62.340 62.848 -0.508 19635 3652 1 8 . 1 1 53 53 SER H H 53 8.385 8.385 8.500 -0.115 19635 3653 1 8 . 1 1 54 54 GLN N N 54 122.316 122.316 120.808 1.508 19635 3654 1 8 . 1 1 54 54 GLN HA H 54 4.219 4.219 3.965 0.254 19635 3655 1 8 . 1 1 54 54 GLN C C 54 179.361 179.361 178.442 0.919 19635 3656 1 8 . 1 1 54 54 GLN CA C 54 58.618 58.618 58.490 0.128 19635 3657 1 8 . 1 1 54 54 GLN CB C 54 29.942 29.942 28.612 1.330 19635 3658 1 8 . 1 1 54 54 GLN H H 54 8.478 8.478 7.778 0.700 19635 3659 1 8 . 1 1 55 55 LEU N N 55 122.348 122.348 119.800 2.548 19635 3660 1 8 . 1 1 55 55 LEU HA H 55 4.209 4.209 3.970 0.239 19635 3661 1 8 . 1 1 55 55 LEU C C 55 178.989 178.989 179.096 -0.107 19635 3662 1 8 . 1 1 55 55 LEU CA C 55 57.972 57.972 57.934 0.039 19635 3663 1 8 . 1 1 55 55 LEU CB C 55 41.910 41.910 41.857 0.053 19635 3664 1 8 . 1 1 55 55 LEU H H 55 8.354 8.354 8.070 0.284 19635 3665 1 8 . 1 1 56 56 HIS N N 56 119.481 119.481 115.082 4.399 19635 3666 1 8 . 1 1 56 56 HIS HA H 56 4.358 4.358 4.491 -0.133 19635 3667 1 8 . 1 1 56 56 HIS C C 56 179.671 179.671 177.065 2.606 19635 3668 1 8 . 1 1 56 56 HIS CA C 56 60.757 60.757 58.165 2.592 19635 3669 1 8 . 1 1 56 56 HIS CB C 56 30.670 30.670 28.843 1.827 19635 3670 1 8 . 1 1 56 56 HIS H H 56 8.592 8.592 8.068 0.524 19635 3671 1 8 . 1 1 57 57 ALA N N 57 122.582 122.582 121.885 0.697 19635 3672 1 8 . 1 1 57 57 ALA HA H 57 4.289 4.289 3.958 0.331 19635 3673 1 8 . 1 1 57 57 ALA C C 57 179.919 179.919 179.137 0.782 19635 3674 1 8 . 1 1 57 57 ALA CA C 57 54.877 54.877 54.809 0.069 19635 3675 1 8 . 1 1 57 57 ALA CB C 57 17.716 17.716 17.677 0.039 19635 3676 1 8 . 1 1 57 57 ALA H H 57 8.091 8.091 7.776 0.315 19635 3677 1 8 . 1 1 58 58 ALA N N 58 122.641 122.641 121.148 1.493 19635 3678 1 8 . 1 1 58 58 ALA HA H 58 3.812 3.812 3.902 -0.090 19635 3679 1 8 . 1 1 58 58 ALA C C 58 178.570 178.570 178.976 -0.406 19635 3680 1 8 . 1 1 58 58 ALA CA C 58 55.149 55.149 54.894 0.255 19635 3681 1 8 . 1 1 58 58 ALA CB C 58 17.677 17.677 18.454 -0.777 19635 3682 1 8 . 1 1 58 58 ALA H H 58 7.835 7.835 7.513 0.322 19635 3683 1 8 . 1 1 59 59 ALA N N 59 117.349 117.349 120.318 -2.969 19635 3684 1 8 . 1 1 59 59 ALA HA H 59 3.802 3.802 4.063 -0.261 19635 3685 1 8 . 1 1 59 59 ALA C C 59 179.360 179.360 179.483 -0.123 19635 3686 1 8 . 1 1 59 59 ALA CA C 59 55.149 55.149 54.700 0.449 19635 3687 1 8 . 1 1 59 59 ALA CB C 59 17.509 17.509 18.327 -0.818 19635 3688 1 8 . 1 1 59 59 ALA H H 59 7.390 7.390 7.589 -0.199 19635 3689 1 8 . 1 1 60 60 ALA N N 60 119.393 119.393 121.908 -2.515 19635 3690 1 8 . 1 1 60 60 ALA HA H 60 4.279 4.279 4.042 0.237 19635 3691 1 8 . 1 1 60 60 ALA C C 60 179.315 179.315 179.546 -0.231 19635 3692 1 8 . 1 1 60 60 ALA CA C 60 54.644 54.644 55.010 -0.366 19635 3693 1 8 . 1 1 60 60 ALA CB C 60 17.625 17.625 18.420 -0.795 19635 3694 1 8 . 1 1 60 60 ALA H H 60 7.944 7.944 8.116 -0.172 19635 3695 1 8 . 1 1 61 61 ARG N N 61 116.621 116.621 118.764 -2.143 19635 3696 1 8 . 1 1 61 61 ARG HA H 61 4.229 4.229 4.005 0.224 19635 3697 1 8 . 1 1 61 61 ARG C C 61 180.214 180.214 179.160 1.054 19635 3698 1 8 . 1 1 61 61 ARG CA C 61 59.519 59.519 59.475 0.044 19635 3699 1 8 . 1 1 61 61 ARG CB C 61 31.216 31.216 30.125 1.091 19635 3700 1 8 . 1 1 61 61 ARG H H 61 7.739 7.739 7.817 -0.078 19635 3701 1 8 . 1 1 62 62 ILE N N 62 117.642 117.642 118.737 -1.095 19635 3702 1 8 . 1 1 62 62 ILE HA H 62 3.742 3.742 3.960 -0.218 19635 3703 1 8 . 1 1 62 62 ILE C C 62 178.214 178.214 178.025 0.189 19635 3704 1 8 . 1 1 62 62 ILE CA C 62 63.705 63.705 64.450 -0.745 19635 3705 1 8 . 1 1 62 62 ILE CB C 62 36.221 36.221 37.698 -1.477 19635 3706 1 8 . 1 1 62 62 ILE H H 62 7.315 7.315 7.404 -0.089 19635 3707 1 8 . 1 1 63 63 GLY N N 63 107.326 107.326 109.057 -1.731 19635 3708 1 8 . 1 1 63 63 GLY C C 63 176.152 176.152 175.918 0.234 19635 3709 1 8 . 1 1 63 63 GLY CA C 63 47.975 47.975 47.650 0.325 19635 3710 1 8 . 1 1 63 63 GLY H H 63 7.862 7.862 8.557 -0.695 19635 3711 1 8 . 1 1 64 64 ASP N N 64 121.729 121.729 122.387 -0.658 19635 3712 1 8 . 1 1 64 64 ASP HA H 64 4.447 4.447 4.556 -0.109 19635 3713 1 8 . 1 1 64 64 ASP C C 64 178.338 178.338 177.988 0.350 19635 3714 1 8 . 1 1 64 64 ASP CA C 64 57.516 57.516 58.021 -0.505 19635 3715 1 8 . 1 1 64 64 ASP CB C 64 40.135 40.135 40.907 -0.772 19635 3716 1 8 . 1 1 64 64 ASP H H 64 8.899 8.899 8.553 0.346 19635 3717 1 8 . 1 1 65 65 PHE N N 65 122.347 122.347 122.298 0.049 19635 3718 1 8 . 1 1 65 65 PHE HA H 65 4.259 4.259 4.055 0.204 19635 3719 1 8 . 1 1 65 65 PHE C C 65 176.989 176.989 177.044 -0.055 19635 3720 1 8 . 1 1 65 65 PHE CA C 65 61.357 61.357 61.790 -0.433 19635 3721 1 8 . 1 1 65 65 PHE CB C 65 39.589 39.589 39.088 0.501 19635 3722 1 8 . 1 1 65 65 PHE H H 65 7.662 7.662 7.786 -0.124 19635 3723 1 8 . 1 1 66 66 TYR N N 66 117.664 117.664 117.683 -0.019 19635 3724 1 8 . 1 1 66 66 TYR HA H 66 3.752 3.752 4.120 -0.368 19635 3725 1 8 . 1 1 66 66 TYR C C 66 179.253 179.253 178.366 0.887 19635 3726 1 8 . 1 1 66 66 TYR CA C 66 63.822 63.822 62.681 1.141 19635 3727 1 8 . 1 1 66 66 TYR CB C 66 38.532 38.532 38.174 0.358 19635 3728 1 8 . 1 1 66 66 TYR H H 66 8.105 8.105 8.544 -0.439 19635 3729 1 8 . 1 1 67 67 GLN N N 67 117.372 117.372 117.567 -0.195 19635 3730 1 8 . 1 1 67 67 GLN HA H 67 3.752 3.752 4.077 -0.325 19635 3731 1 8 . 1 1 67 67 GLN C C 67 180.322 180.322 178.963 1.359 19635 3732 1 8 . 1 1 67 67 GLN CA C 67 59.714 59.714 58.941 0.773 19635 3733 1 8 . 1 1 67 67 GLN CB C 67 27.759 27.759 28.428 -0.669 19635 3734 1 8 . 1 1 67 67 GLN H H 67 8.263 8.263 7.917 0.346 19635 3735 1 8 . 1 1 68 68 GLU N N 68 122.805 122.805 120.164 2.641 19635 3736 1 8 . 1 1 68 68 GLU HA H 68 4.130 4.130 4.108 0.022 19635 3737 1 8 . 1 1 68 68 GLU C C 68 178.400 178.400 177.462 0.938 19635 3738 1 8 . 1 1 68 68 GLU CA C 68 56.062 56.062 58.587 -2.525 19635 3739 1 8 . 1 1 68 68 GLU CB C 68 41.955 41.955 29.526 12.429 19635 3740 1 8 . 1 1 68 68 GLU H H 68 8.525 8.525 8.101 0.424 19635 3741 1 8 . 1 1 69 69 LYS N N 69 116.254 116.254 116.612 -0.358 19635 3742 1 8 . 1 1 69 69 LYS HA H 69 4.223 4.223 4.206 0.017 19635 3743 1 8 . 1 1 69 69 LYS C C 69 176.090 176.090 176.279 -0.189 19635 3744 1 8 . 1 1 69 69 LYS CA C 69 54.692 54.692 55.605 -0.913 19635 3745 1 8 . 1 1 69 69 LYS CB C 69 31.685 31.685 32.189 -0.504 19635 3746 1 8 . 1 1 69 69 LYS H H 69 7.413 7.413 7.354 0.059 19635 3747 1 8 . 1 1 70 70 GLY N N 70 105.876 105.876 106.162 -0.286 19635 3748 1 8 . 1 1 70 70 GLY C C 70 174.602 174.602 174.844 -0.242 19635 3749 1 8 . 1 1 70 70 GLY CA C 70 45.197 45.197 44.882 0.315 19635 3750 1 8 . 1 1 70 70 GLY H H 70 7.770 7.770 7.745 0.025 19635 3751 1 8 . 1 1 71 71 TYR N N 71 124.341 124.341 122.202 2.139 19635 3752 1 8 . 1 1 71 71 TYR HA H 71 4.795 4.795 4.591 0.204 19635 3753 1 8 . 1 1 71 71 TYR C C 71 177.082 177.082 176.322 0.760 19635 3754 1 8 . 1 1 71 71 TYR CA C 71 57.431 57.431 57.693 -0.262 19635 3755 1 8 . 1 1 71 71 TYR CB C 71 36.524 36.524 36.338 0.186 19635 3756 1 8 . 1 1 71 71 TYR H H 71 8.387 8.387 8.128 0.259 19635 3757 1 8 . 1 1 72 72 VAL N N 72 113.636 113.636 123.946 -10.310 19635 3758 1 8 . 1 1 72 72 VAL HA H 72 4.010 4.010 3.878 0.132 19635 3759 1 8 . 1 1 72 72 VAL C C 72 176.989 176.989 177.262 -0.273 19635 3760 1 8 . 1 1 72 72 VAL CA C 72 64.251 64.251 65.413 -1.163 19635 3761 1 8 . 1 1 72 72 VAL CB C 72 31.440 31.440 31.786 -0.346 19635 3762 1 8 . 1 1 72 72 VAL H H 72 7.239 7.239 8.282 -1.043 19635 3763 1 8 . 1 1 73 73 LEU N N 73 120.170 120.170 118.861 1.309 19635 3764 1 8 . 1 1 73 73 LEU HA H 73 4.487 4.487 4.376 0.111 19635 3765 1 8 . 1 1 73 73 LEU C C 73 176.927 176.927 176.345 0.582 19635 3766 1 8 . 1 1 73 73 LEU CA C 73 54.474 54.474 54.631 -0.157 19635 3767 1 8 . 1 1 73 73 LEU CB C 73 41.819 41.819 42.041 -0.222 19635 3768 1 8 . 1 1 73 73 LEU H H 73 8.765 8.765 7.921 0.844 19635 3769 1 8 . 1 1 74 74 ALA N N 74 122.084 122.084 121.866 0.218 19635 3770 1 8 . 1 1 74 74 ALA HA H 74 4.537 4.537 4.939 -0.402 19635 3771 1 8 . 1 1 74 74 ALA C C 74 177.516 177.516 176.451 1.065 19635 3772 1 8 . 1 1 74 74 ALA CA C 74 52.329 52.329 51.483 0.845 19635 3773 1 8 . 1 1 74 74 ALA CB C 74 21.065 21.065 20.250 0.815 19635 3774 1 8 . 1 1 74 74 ALA H H 74 7.322 7.322 7.362 -0.040 19635 3775 1 8 . 1 1 75 75 ARG N N 75 118.061 118.061 121.877 -3.816 19635 3776 1 8 . 1 1 75 75 ARG HA H 75 4.606 4.606 4.662 -0.056 19635 3777 1 8 . 1 1 75 75 ARG C C 75 173.036 173.036 174.132 -1.096 19635 3778 1 8 . 1 1 75 75 ARG CA C 75 54.604 54.604 55.002 -0.398 19635 3779 1 8 . 1 1 75 75 ARG CB C 75 34.037 34.037 34.312 -0.275 19635 3780 1 8 . 1 1 75 75 ARG H H 75 8.521 8.521 8.835 -0.314 19635 3781 1 8 . 1 1 76 76 ALA N N 76 122.847 122.847 128.337 -5.490 19635 3782 1 8 . 1 1 76 76 ALA HA H 76 5.533 5.533 5.052 0.481 19635 3783 1 8 . 1 1 76 76 ALA C C 76 176.028 176.028 175.939 0.089 19635 3784 1 8 . 1 1 76 76 ALA CA C 76 50.219 50.219 50.641 -0.422 19635 3785 1 8 . 1 1 76 76 ALA CB C 76 22.464 22.464 20.647 1.817 19635 3786 1 8 . 1 1 76 76 ALA H H 76 8.553 8.553 8.680 -0.126 19635 3787 1 8 . 1 1 77 77 PHE N N 77 117.410 117.410 118.972 -1.562 19635 3788 1 8 . 1 1 77 77 PHE HA H 77 4.922 4.922 5.075 -0.153 19635 3789 1 8 . 1 1 77 77 PHE C C 77 172.091 172.091 173.303 -1.212 19635 3790 1 8 . 1 1 77 77 PHE CA C 77 55.697 55.697 55.843 -0.146 19635 3791 1 8 . 1 1 77 77 PHE CB C 77 41.637 41.637 42.036 -0.399 19635 3792 1 8 . 1 1 77 77 PHE H H 77 9.079 9.079 8.760 0.319 19635 3793 1 8 . 1 1 78 78 LEU N N 78 123.541 123.541 124.569 -1.028 19635 3794 1 8 . 1 1 78 78 LEU HA H 78 5.023 5.023 4.790 0.233 19635 3795 1 8 . 1 1 78 78 LEU C C 78 174.494 174.494 175.587 -1.093 19635 3796 1 8 . 1 1 78 78 LEU CA C 78 51.328 51.328 51.000 0.328 19635 3797 1 8 . 1 1 78 78 LEU CB C 78 42.774 42.774 44.131 -1.357 19635 3798 1 8 . 1 1 78 78 LEU H H 78 9.031 9.031 8.826 0.205 19635 3799 1 8 . 1 1 79 79 PRO HA H 79 4.661 4.661 4.590 0.071 19635 3800 1 8 . 1 1 79 79 PRO C C 79 176.239 176.239 176.062 0.177 19635 3801 1 8 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.763 -0.696 19635 3802 1 8 . 1 1 79 79 PRO CB C 79 32.672 32.672 30.950 1.722 19635 3803 1 8 . 1 1 80 80 ALA N N 80 124.122 124.122 128.904 -4.782 19635 3804 1 8 . 1 1 80 80 ALA HA H 80 4.379 4.379 4.511 -0.132 19635 3805 1 8 . 1 1 80 80 ALA C C 80 177.807 177.807 177.510 0.297 19635 3806 1 8 . 1 1 80 80 ALA CA C 80 53.291 53.291 51.555 1.736 19635 3807 1 8 . 1 1 80 80 ALA CB C 80 17.692 17.692 17.966 -0.274 19635 3808 1 8 . 1 1 80 80 ALA H H 80 8.488 8.488 8.402 0.086 19635 3809 1 8 . 1 1 81 81 GLN N N 81 118.018 118.018 119.613 -1.595 19635 3810 1 8 . 1 1 81 81 GLN HA H 81 5.234 5.234 4.262 0.972 19635 3811 1 8 . 1 1 81 81 GLN C C 81 173.284 173.284 176.982 -3.698 19635 3812 1 8 . 1 1 81 81 GLN CA C 81 55.332 55.332 57.158 -1.826 19635 3813 1 8 . 1 1 81 81 GLN CB C 81 31.580 31.580 29.713 1.867 19635 3814 1 8 . 1 1 81 81 GLN H H 81 8.157 8.157 8.304 -0.147 19635 3815 1 8 . 1 1 83 83 ILE HA H 83 4.121 4.121 3.802 0.319 19635 3816 1 8 . 1 1 83 83 ILE C C 83 175.873 175.873 175.008 0.865 19635 3817 1 8 . 1 1 83 83 ILE CA C 83 62.249 62.249 61.699 0.550 19635 3818 1 8 . 1 1 83 83 ILE CB C 83 37.495 37.495 37.074 0.421 19635 3819 1 8 . 1 1 84 84 GLN N N 84 126.522 126.522 127.161 -0.639 19635 3820 1 8 . 1 1 84 84 GLN HA H 84 4.111 4.111 4.269 -0.158 19635 3821 1 8 . 1 1 84 84 GLN C C 84 176.028 176.028 175.176 0.852 19635 3822 1 8 . 1 1 84 84 GLN CA C 84 61.521 61.521 55.584 5.937 19635 3823 1 8 . 1 1 84 84 GLN CB C 84 37.464 37.464 29.416 8.048 19635 3824 1 8 . 1 1 84 84 GLN H H 84 8.679 8.679 8.311 0.368 19635 3825 1 8 . 1 1 85 85 ASP HA H 85 4.488 4.488 4.497 -0.009 19635 3826 1 8 . 1 1 85 85 ASP C C 85 176.709 176.709 176.170 0.539 19635 3827 1 8 . 1 1 85 85 ASP CA C 85 54.513 54.513 53.901 0.612 19635 3828 1 8 . 1 1 85 85 ASP CB C 85 40.643 40.643 40.879 -0.236 19635 3829 1 8 . 1 1 86 86 GLY N N 86 104.397 104.397 112.181 -7.784 19635 3830 1 8 . 1 1 86 86 GLY C C 86 174.308 174.308 173.833 0.475 19635 3831 1 8 . 1 1 86 86 GLY CA C 86 46.323 46.323 45.238 1.085 19635 3832 1 8 . 1 1 86 86 GLY H H 86 8.310 8.310 8.410 -0.100 19635 3833 1 8 . 1 1 87 87 THR N N 87 119.045 119.045 119.120 -0.075 19635 3834 1 8 . 1 1 87 87 THR HA H 87 4.670 4.670 5.282 -0.612 19635 3835 1 8 . 1 1 87 87 THR C C 87 172.943 172.943 173.896 -0.953 19635 3836 1 8 . 1 1 87 87 THR CA C 87 61.905 61.905 61.752 0.153 19635 3837 1 8 . 1 1 87 87 THR CB C 87 68.779 68.779 71.436 -2.657 19635 3838 1 8 . 1 1 87 87 THR H H 87 7.877 7.877 7.317 0.560 19635 3839 1 8 . 1 1 88 88 VAL N N 88 127.859 127.859 121.656 6.203 19635 3840 1 8 . 1 1 88 88 VAL HA H 88 4.110 4.110 4.418 -0.308 19635 3841 1 8 . 1 1 88 88 VAL C C 88 174.463 174.463 174.160 0.303 19635 3842 1 8 . 1 1 88 88 VAL CA C 88 61.157 61.157 60.028 1.129 19635 3843 1 8 . 1 1 88 88 VAL CB C 88 33.237 33.237 33.636 -0.399 19635 3844 1 8 . 1 1 88 88 VAL H H 88 8.241 8.241 8.199 0.042 19635 3845 1 8 . 1 1 89 89 ARG N N 89 129.825 129.825 126.769 3.056 19635 3846 1 8 . 1 1 89 89 ARG HA H 89 5.234 5.234 5.269 -0.035 19635 3847 1 8 . 1 1 89 89 ARG C C 89 175.470 175.470 175.798 -0.328 19635 3848 1 8 . 1 1 89 89 ARG CA C 89 55.357 55.357 54.680 0.677 19635 3849 1 8 . 1 1 89 89 ARG CB C 89 31.594 31.594 32.488 -0.894 19635 3850 1 8 . 1 1 89 89 ARG H H 89 9.541 9.541 8.428 1.113 19635 3851 1 8 . 1 1 90 90 ILE N N 90 123.428 123.428 127.041 -3.613 19635 3852 1 8 . 1 1 90 90 ILE HA H 90 4.299 4.299 4.218 0.081 19635 3853 1 8 . 1 1 90 90 ILE C C 90 174.106 174.106 174.250 -0.144 19635 3854 1 8 . 1 1 90 90 ILE CA C 90 60.444 60.444 60.440 0.004 19635 3855 1 8 . 1 1 90 90 ILE CB C 90 41.390 41.390 40.895 0.495 19635 3856 1 8 . 1 1 90 90 ILE H H 90 8.641 8.641 9.143 -0.502 19635 3857 1 8 . 1 1 91 91 GLU N N 91 126.760 126.760 126.759 0.001 19635 3858 1 8 . 1 1 91 91 GLU HA H 91 4.903 4.903 4.635 0.268 19635 3859 1 8 . 1 1 91 91 GLU C C 91 174.246 174.246 175.475 -1.229 19635 3860 1 8 . 1 1 91 91 GLU CA C 91 54.422 54.422 55.165 -0.743 19635 3861 1 8 . 1 1 91 91 GLU CB C 91 32.035 32.035 30.690 1.345 19635 3862 1 8 . 1 1 91 91 GLU H H 91 8.388 8.388 8.656 -0.268 19635 3863 1 8 . 1 1 92 92 VAL N N 92 122.222 122.222 125.773 -3.551 19635 3864 1 8 . 1 1 92 92 VAL HA H 92 4.385 4.385 3.992 0.393 19635 3865 1 8 . 1 1 92 92 VAL C C 92 174.835 174.835 174.878 -0.043 19635 3866 1 8 . 1 1 92 92 VAL CA C 92 61.066 61.066 61.886 -0.820 19635 3867 1 8 . 1 1 92 92 VAL CB C 92 33.946 33.946 31.838 2.108 19635 3868 1 8 . 1 1 92 92 VAL H H 92 8.790 8.790 9.008 -0.218 19635 3869 1 8 . 1 1 93 93 LEU N N 93 128.617 128.617 130.545 -1.928 19635 3870 1 8 . 1 1 93 93 LEU HA H 93 4.812 4.812 4.683 0.129 19635 3871 1 8 . 1 1 93 93 LEU C C 93 176.540 176.540 176.432 0.108 19635 3872 1 8 . 1 1 93 93 LEU CA C 93 53.148 53.148 53.835 -0.687 19635 3873 1 8 . 1 1 93 93 LEU CB C 93 43.229 43.229 42.261 0.968 19635 3874 1 8 . 1 1 93 93 LEU H H 93 8.980 8.980 8.511 0.469 19635 3875 1 8 . 1 1 94 94 GLU N N 94 123.476 123.476 125.517 -2.041 19635 3876 1 8 . 1 1 94 94 GLU HA H 94 3.821 3.821 4.175 -0.354 19635 3877 1 8 . 1 1 94 94 GLU C C 94 175.408 175.408 175.876 -0.468 19635 3878 1 8 . 1 1 94 94 GLU CA C 94 57.797 57.797 57.041 0.756 19635 3879 1 8 . 1 1 94 94 GLU CB C 94 29.676 29.676 30.180 -0.504 19635 3880 1 8 . 1 1 94 94 GLU H H 94 8.930 8.930 8.303 0.627 19635 3881 1 9 . 1 1 8 8 HIS HA H 8 4.637 4.637 4.894 -0.257 19635 3882 1 9 . 1 1 8 8 HIS C C 8 174.897 174.897 174.452 0.445 19635 3883 1 9 . 1 1 8 8 HIS CA C 8 56.534 56.534 55.018 1.516 19635 3884 1 9 . 1 1 8 8 HIS CB C 8 31.030 31.030 30.015 1.015 19635 3885 1 9 . 1 1 9 9 VAL N N 9 121.834 121.834 125.435 -3.601 19635 3886 1 9 . 1 1 9 9 VAL HA H 9 4.111 4.111 3.968 0.143 19635 3887 1 9 . 1 1 9 9 VAL C C 9 175.486 175.486 175.410 0.076 19635 3888 1 9 . 1 1 9 9 VAL CA C 9 62.115 62.115 63.497 -1.382 19635 3889 1 9 . 1 1 9 9 VAL CB C 9 33.036 33.036 31.413 1.623 19635 3890 1 9 . 1 1 9 9 VAL H H 9 7.998 7.998 8.870 -0.872 19635 3891 1 9 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.760 -0.177 19635 3892 1 9 . 1 1 10 10 ASP CA C 10 54.510 54.510 54.562 -0.053 19635 3893 1 9 . 1 1 10 10 ASP CB C 10 41.545 41.545 40.772 0.773 19635 3894 1 9 . 1 1 11 11 ASP HA H 11 4.583 4.583 4.742 -0.159 19635 3895 1 9 . 1 1 11 11 ASP C C 11 176.012 176.012 175.439 0.573 19635 3896 1 9 . 1 1 11 11 ASP CA C 11 54.692 54.692 55.278 -0.586 19635 3897 1 9 . 1 1 11 11 ASP CB C 11 41.545 41.545 40.770 0.775 19635 3898 1 9 . 1 1 12 12 ASP N N 12 120.751 120.751 121.274 -0.523 19635 3899 1 9 . 1 1 12 12 ASP HA H 12 4.581 4.581 4.740 -0.159 19635 3900 1 9 . 1 1 12 12 ASP C C 12 176.385 176.385 175.599 0.786 19635 3901 1 9 . 1 1 12 12 ASP CA C 12 54.695 54.695 54.339 0.356 19635 3902 1 9 . 1 1 12 12 ASP CB C 12 41.363 41.363 41.426 -0.063 19635 3903 1 9 . 1 1 12 12 ASP H H 12 8.249 8.249 7.942 0.307 19635 3904 1 9 . 1 1 13 13 ASP N N 13 120.536 120.536 123.126 -2.590 19635 3905 1 9 . 1 1 13 13 ASP HA H 13 4.576 4.576 4.510 0.066 19635 3906 1 9 . 1 1 13 13 ASP C C 13 176.818 176.818 175.524 1.294 19635 3907 1 9 . 1 1 13 13 ASP CA C 13 54.877 54.877 53.879 0.998 19635 3908 1 9 . 1 1 13 13 ASP CB C 13 41.318 41.318 41.940 -0.622 19635 3909 1 9 . 1 1 13 13 ASP H H 13 8.291 8.291 8.395 -0.104 19635 3910 1 9 . 1 1 14 14 LYS N N 14 120.496 120.496 117.599 2.897 19635 3911 1 9 . 1 1 14 14 LYS HA H 14 4.303 4.303 4.625 -0.322 19635 3912 1 9 . 1 1 14 14 LYS C C 14 177.190 177.190 174.718 2.472 19635 3913 1 9 . 1 1 14 14 LYS CA C 14 56.788 56.788 55.547 1.242 19635 3914 1 9 . 1 1 14 14 LYS CB C 14 32.399 32.399 35.137 -2.738 19635 3915 1 9 . 1 1 14 14 LYS H H 14 8.181 8.181 8.387 -0.206 19635 3916 1 9 . 1 1 15 15 MET N N 15 119.518 119.518 120.413 -0.895 19635 3917 1 9 . 1 1 15 15 MET HA H 15 4.546 4.546 4.589 -0.043 19635 3918 1 9 . 1 1 15 15 MET C C 15 176.881 176.881 177.698 -0.817 19635 3919 1 9 . 1 1 15 15 MET CA C 15 55.696 55.696 56.119 -0.423 19635 3920 1 9 . 1 1 15 15 MET CB C 15 32.490 32.490 33.471 -0.981 19635 3921 1 9 . 1 1 15 15 MET H H 15 8.276 8.276 8.798 -0.522 19635 3922 1 9 . 1 1 16 16 GLY N N 16 109.506 109.506 110.170 -0.664 19635 3923 1 9 . 1 1 16 16 GLY C C 16 174.432 174.432 174.828 -0.396 19635 3924 1 9 . 1 1 16 16 GLY CA C 16 45.498 45.498 45.269 0.229 19635 3925 1 9 . 1 1 16 16 GLY H H 16 8.373 8.373 8.399 -0.026 19635 3926 1 9 . 1 1 17 17 GLY N N 17 108.711 108.711 107.552 1.159 19635 3927 1 9 . 1 1 17 17 GLY C C 17 171.409 171.409 171.617 -0.208 19635 3928 1 9 . 1 1 17 17 GLY CA C 17 44.685 44.685 44.285 0.400 19635 3929 1 9 . 1 1 17 17 GLY H H 17 8.116 8.116 7.691 0.425 19635 3930 1 9 . 1 1 18 18 PRO HA H 18 4.744 4.744 4.402 0.342 19635 3931 1 9 . 1 1 18 18 PRO C C 18 176.462 176.462 176.681 -0.219 19635 3932 1 9 . 1 1 18 18 PRO CA C 18 62.795 62.795 62.993 -0.198 19635 3933 1 9 . 1 1 18 18 PRO CB C 18 35.220 35.220 32.173 3.047 19635 3934 1 9 . 1 1 19 19 THR N N 19 111.524 111.524 112.902 -1.378 19635 3935 1 9 . 1 1 19 19 THR HA H 19 4.744 4.744 4.321 0.423 19635 3936 1 9 . 1 1 19 19 THR C C 19 173.827 173.827 174.074 -0.247 19635 3937 1 9 . 1 1 19 19 THR CA C 19 59.988 59.988 61.025 -1.037 19635 3938 1 9 . 1 1 19 19 THR CB C 19 71.622 71.622 69.999 1.623 19635 3939 1 9 . 1 1 19 19 THR H H 19 8.229 8.229 8.208 0.021 19635 3940 1 9 . 1 1 20 20 VAL N N 20 119.259 119.259 122.923 -3.664 19635 3941 1 9 . 1 1 20 20 VAL HA H 20 4.378 4.378 4.200 0.178 19635 3942 1 9 . 1 1 20 20 VAL C C 20 173.718 173.718 174.472 -0.754 19635 3943 1 9 . 1 1 20 20 VAL CA C 20 59.714 59.714 61.246 -1.532 19635 3944 1 9 . 1 1 20 20 VAL CB C 20 35.482 35.482 34.144 1.338 19635 3945 1 9 . 1 1 20 20 VAL H H 20 8.740 8.740 8.982 -0.242 19635 3946 1 9 . 1 1 21 21 LEU N N 21 127.557 127.557 130.529 -2.972 19635 3947 1 9 . 1 1 21 21 LEU HA H 21 4.427 4.427 4.576 -0.149 19635 3948 1 9 . 1 1 21 21 LEU C C 21 175.362 175.362 175.954 -0.592 19635 3949 1 9 . 1 1 21 21 LEU CA C 21 54.604 54.604 54.998 -0.395 19635 3950 1 9 . 1 1 21 21 LEU CB C 21 40.720 40.720 41.870 -1.151 19635 3951 1 9 . 1 1 21 21 LEU H H 21 8.229 8.229 8.646 -0.417 19635 3952 1 9 . 1 1 22 22 VAL N N 22 128.501 128.501 127.701 0.800 19635 3953 1 9 . 1 1 22 22 VAL HA H 22 3.648 3.648 3.830 -0.182 19635 3954 1 9 . 1 1 22 22 VAL C C 22 175.346 175.346 175.670 -0.324 19635 3955 1 9 . 1 1 22 22 VAL CA C 22 63.146 63.146 62.940 0.207 19635 3956 1 9 . 1 1 22 22 VAL CB C 22 32.151 32.151 31.038 1.113 19635 3957 1 9 . 1 1 22 22 VAL H H 22 8.132 8.132 8.385 -0.253 19635 3958 1 9 . 1 1 23 23 LYS N N 23 127.302 127.302 127.992 -0.690 19635 3959 1 9 . 1 1 23 23 LYS HA H 23 4.420 4.420 4.492 -0.072 19635 3960 1 9 . 1 1 23 23 LYS C C 23 176.385 176.385 176.560 -0.175 19635 3961 1 9 . 1 1 23 23 LYS CA C 23 56.975 56.975 57.297 -0.322 19635 3962 1 9 . 1 1 23 23 LYS CB C 23 34.150 34.150 34.412 -0.262 19635 3963 1 9 . 1 1 23 23 LYS H H 23 9.694 9.694 9.014 0.680 19635 3964 1 9 . 1 1 24 24 ARG N N 24 114.443 114.443 116.931 -2.488 19635 3965 1 9 . 1 1 24 24 ARG HA H 24 4.468 4.468 4.667 -0.199 19635 3966 1 9 . 1 1 24 24 ARG C C 24 172.401 172.401 173.840 -1.439 19635 3967 1 9 . 1 1 24 24 ARG CA C 24 54.596 54.596 55.400 -0.804 19635 3968 1 9 . 1 1 24 24 ARG CB C 24 32.125 32.125 32.962 -0.837 19635 3969 1 9 . 1 1 24 24 ARG H H 24 7.735 7.735 8.032 -0.297 19635 3970 1 9 . 1 1 25 25 PHE N N 25 117.669 117.669 118.619 -0.950 19635 3971 1 9 . 1 1 25 25 PHE HA H 25 5.561 5.561 5.295 0.266 19635 3972 1 9 . 1 1 25 25 PHE C C 25 174.618 174.618 175.442 -0.824 19635 3973 1 9 . 1 1 25 25 PHE CA C 25 56.333 56.333 56.890 -0.557 19635 3974 1 9 . 1 1 25 25 PHE CB C 25 42.319 42.319 41.340 0.979 19635 3975 1 9 . 1 1 25 25 PHE H H 25 8.550 8.550 8.584 -0.034 19635 3976 1 9 . 1 1 26 26 GLN N N 26 121.215 121.215 122.557 -1.342 19635 3977 1 9 . 1 1 26 26 GLN HA H 26 4.576 4.576 4.803 -0.227 19635 3978 1 9 . 1 1 26 26 GLN C C 26 173.904 173.904 174.026 -0.122 19635 3979 1 9 . 1 1 26 26 GLN CA C 26 54.695 54.695 54.156 0.539 19635 3980 1 9 . 1 1 26 26 GLN CB C 26 32.077 32.077 31.813 0.264 19635 3981 1 9 . 1 1 26 26 GLN H H 26 8.926 8.926 9.262 -0.336 19635 3982 1 9 . 1 1 27 27 LEU N N 27 126.971 126.971 128.293 -1.322 19635 3983 1 9 . 1 1 27 27 LEU HA H 27 5.285 5.285 5.461 -0.176 19635 3984 1 9 . 1 1 27 27 LEU C C 27 177.098 177.098 176.919 0.179 19635 3985 1 9 . 1 1 27 27 LEU CA C 27 53.512 53.512 53.397 0.115 19635 3986 1 9 . 1 1 27 27 LEU CB C 27 44.048 44.048 43.055 0.993 19635 3987 1 9 . 1 1 27 27 LEU H H 27 8.906 8.906 8.416 0.490 19635 3988 1 9 . 1 1 28 28 SER N N 28 114.562 114.562 117.253 -2.691 19635 3989 1 9 . 1 1 28 28 SER HA H 28 4.866 4.866 4.801 0.065 19635 3990 1 9 . 1 1 28 28 SER C C 28 173.811 173.811 174.349 -0.538 19635 3991 1 9 . 1 1 28 28 SER CA C 28 57.249 57.249 56.965 0.284 19635 3992 1 9 . 1 1 28 28 SER CB C 28 65.161 65.161 65.619 -0.458 19635 3993 1 9 . 1 1 28 28 SER H H 28 8.114 8.114 8.840 -0.726 19635 3994 1 9 . 1 1 29 29 GLY N N 29 112.273 112.273 111.868 0.405 19635 3995 1 9 . 1 1 29 29 GLY C C 29 173.548 173.548 173.293 0.255 19635 3996 1 9 . 1 1 29 29 GLY CA C 29 45.235 45.235 45.392 -0.156 19635 3997 1 9 . 1 1 29 29 GLY H H 29 8.714 8.714 8.784 -0.070 19635 3998 1 9 . 1 1 30 30 ASN N N 30 114.106 114.106 118.410 -4.304 19635 3999 1 9 . 1 1 30 30 ASN HA H 30 4.536 4.536 4.657 -0.121 19635 4000 1 9 . 1 1 30 30 ASN C C 30 174.804 174.804 174.826 -0.022 19635 4001 1 9 . 1 1 30 30 ASN CA C 30 53.876 53.876 52.812 1.064 19635 4002 1 9 . 1 1 30 30 ASN CB C 30 37.495 37.495 37.643 -0.148 19635 4003 1 9 . 1 1 30 30 ASN H H 30 9.436 9.436 8.091 1.345 19635 4004 1 9 . 1 1 31 31 ARG N N 31 124.382 124.382 123.673 0.709 19635 4005 1 9 . 1 1 31 31 ARG HA H 31 4.408 4.408 4.470 -0.062 19635 4006 1 9 . 1 1 31 31 ARG C C 31 177.656 177.656 177.280 0.376 19635 4007 1 9 . 1 1 31 31 ARG CA C 31 57.066 57.066 56.761 0.305 19635 4008 1 9 . 1 1 31 31 ARG CB C 31 32.689 32.689 30.659 2.030 19635 4009 1 9 . 1 1 31 31 ARG H H 31 9.427 9.427 9.634 -0.207 19635 4010 1 9 . 1 1 32 32 GLN N N 32 122.307 122.307 119.949 2.358 19635 4011 1 9 . 1 1 32 32 GLN HA H 32 3.804 3.804 3.931 -0.127 19635 4012 1 9 . 1 1 32 32 GLN C C 32 175.005 175.005 175.691 -0.686 19635 4013 1 9 . 1 1 32 32 GLN CA C 32 57.243 57.243 57.680 -0.437 19635 4014 1 9 . 1 1 32 32 GLN CB C 32 28.850 28.850 28.959 -0.109 19635 4015 1 9 . 1 1 32 32 GLN H H 32 10.333 10.333 9.017 1.316 19635 4016 1 9 . 1 1 33 33 PHE N N 33 110.633 110.633 118.079 -7.446 19635 4017 1 9 . 1 1 33 33 PHE HA H 33 4.815 4.815 4.657 0.158 19635 4018 1 9 . 1 1 33 33 PHE C C 33 174.215 174.215 174.815 -0.600 19635 4019 1 9 . 1 1 33 33 PHE CA C 33 55.514 55.514 56.566 -1.052 19635 4020 1 9 . 1 1 33 33 PHE CB C 33 43.006 43.006 41.470 1.536 19635 4021 1 9 . 1 1 33 33 PHE H H 33 6.698 6.698 7.607 -0.909 19635 4022 1 9 . 1 1 34 34 ASP N N 34 120.588 120.588 121.354 -0.766 19635 4023 1 9 . 1 1 34 34 ASP HA H 34 4.547 4.547 4.613 -0.066 19635 4024 1 9 . 1 1 34 34 ASP C C 34 175.253 175.253 176.505 -1.252 19635 4025 1 9 . 1 1 34 34 ASP CA C 34 52.684 52.684 52.967 -0.283 19635 4026 1 9 . 1 1 34 34 ASP CB C 34 42.276 42.276 42.786 -0.510 19635 4027 1 9 . 1 1 34 34 ASP H H 34 8.477 8.477 8.514 -0.037 19635 4028 1 9 . 1 1 35 35 ASP N N 35 118.353 118.353 120.172 -1.819 19635 4029 1 9 . 1 1 35 35 ASP HA H 35 4.022 4.022 4.292 -0.270 19635 4030 1 9 . 1 1 35 35 ASP C C 35 177.826 177.826 178.395 -0.569 19635 4031 1 9 . 1 1 35 35 ASP CA C 35 57.607 57.607 58.189 -0.582 19635 4032 1 9 . 1 1 35 35 ASP CB C 35 39.771 39.771 40.699 -0.928 19635 4033 1 9 . 1 1 35 35 ASP H H 35 8.507 8.507 8.776 -0.269 19635 4034 1 9 . 1 1 36 36 ARG N N 36 117.028 117.028 118.186 -1.158 19635 4035 1 9 . 1 1 36 36 ARG HA H 36 3.873 3.873 4.077 -0.204 19635 4036 1 9 . 1 1 36 36 ARG C C 36 179.206 179.206 178.598 0.608 19635 4037 1 9 . 1 1 36 36 ARG CA C 36 59.610 59.610 58.668 0.942 19635 4038 1 9 . 1 1 36 36 ARG CB C 36 29.422 29.422 30.143 -0.721 19635 4039 1 9 . 1 1 36 36 ARG H H 36 8.111 8.111 8.047 0.064 19635 4040 1 9 . 1 1 37 37 ARG N N 37 119.265 119.265 119.486 -0.221 19635 4041 1 9 . 1 1 37 37 ARG HA H 37 4.020 4.020 4.162 -0.142 19635 4042 1 9 . 1 1 37 37 ARG C C 37 177.950 177.950 177.506 0.444 19635 4043 1 9 . 1 1 37 37 ARG CA C 37 57.698 57.698 57.981 -0.283 19635 4044 1 9 . 1 1 37 37 ARG CB C 37 30.124 30.124 29.831 0.293 19635 4045 1 9 . 1 1 37 37 ARG H H 37 7.826 7.826 7.643 0.183 19635 4046 1 9 . 1 1 38 38 LEU N N 38 115.462 115.462 118.131 -2.669 19635 4047 1 9 . 1 1 38 38 LEU HA H 38 3.819 3.819 4.020 -0.201 19635 4048 1 9 . 1 1 38 38 LEU C C 38 179.067 179.067 179.131 -0.064 19635 4049 1 9 . 1 1 38 38 LEU CA C 38 56.333 56.333 56.204 0.129 19635 4050 1 9 . 1 1 38 38 LEU CB C 38 42.046 42.046 42.004 0.042 19635 4051 1 9 . 1 1 38 38 LEU H H 38 7.365 7.365 7.603 -0.238 19635 4052 1 9 . 1 1 39 39 LEU N N 39 117.922 117.922 118.509 -0.587 19635 4053 1 9 . 1 1 39 39 LEU HA H 39 3.823 3.823 4.024 -0.201 19635 4054 1 9 . 1 1 39 39 LEU C C 39 181.051 181.051 178.517 2.534 19635 4055 1 9 . 1 1 39 39 LEU CA C 39 57.607 57.607 57.641 -0.034 19635 4056 1 9 . 1 1 39 39 LEU CB C 39 41.089 41.089 39.981 1.108 19635 4057 1 9 . 1 1 39 39 LEU H H 39 9.081 9.081 8.611 0.470 19635 4058 1 9 . 1 1 40 40 ALA N N 40 121.136 121.136 121.569 -0.433 19635 4059 1 9 . 1 1 40 40 ALA HA H 40 4.077 4.077 4.056 0.021 19635 4060 1 9 . 1 1 40 40 ALA C C 40 180.059 180.059 179.411 0.648 19635 4061 1 9 . 1 1 40 40 ALA CA C 40 54.514 54.514 54.146 0.368 19635 4062 1 9 . 1 1 40 40 ALA CB C 40 17.716 17.716 18.058 -0.342 19635 4063 1 9 . 1 1 40 40 ALA H H 40 7.266 7.266 7.930 -0.664 19635 4064 1 9 . 1 1 41 41 LEU N N 41 115.253 115.253 118.281 -3.028 19635 4065 1 9 . 1 1 41 41 LEU HA H 41 4.128 4.128 4.037 0.091 19635 4066 1 9 . 1 1 41 41 LEU C C 41 177.966 177.966 177.018 0.948 19635 4067 1 9 . 1 1 41 41 LEU CA C 41 55.971 55.971 57.127 -1.157 19635 4068 1 9 . 1 1 41 41 LEU CB C 41 42.093 42.093 42.117 -0.024 19635 4069 1 9 . 1 1 41 41 LEU H H 41 7.215 7.215 7.681 -0.466 19635 4070 1 9 . 1 1 42 42 LEU N N 42 116.365 116.365 115.603 0.762 19635 4071 1 9 . 1 1 42 42 LEU HA H 42 4.298 4.298 4.490 -0.192 19635 4072 1 9 . 1 1 42 42 LEU C C 42 177.842 177.842 177.640 0.202 19635 4073 1 9 . 1 1 42 42 LEU CA C 42 53.232 53.232 51.791 1.442 19635 4074 1 9 . 1 1 42 42 LEU CB C 42 41.955 41.955 38.670 3.285 19635 4075 1 9 . 1 1 42 42 LEU H H 42 7.392 7.392 7.567 -0.175 19635 4076 1 9 . 1 1 43 43 HIS N N 43 117.222 117.222 119.549 -2.327 19635 4077 1 9 . 1 1 43 43 HIS HA H 43 4.279 4.279 4.243 0.036 19635 4078 1 9 . 1 1 43 43 HIS C C 43 174.494 174.494 175.348 -0.854 19635 4079 1 9 . 1 1 43 43 HIS CA C 43 59.428 59.428 58.753 0.675 19635 4080 1 9 . 1 1 43 43 HIS CB C 43 31.216 31.216 29.538 1.678 19635 4081 1 9 . 1 1 43 43 HIS H H 43 7.012 7.012 7.570 -0.558 19635 4082 1 9 . 1 1 44 44 ASP N N 44 116.296 116.296 116.902 -0.606 19635 4083 1 9 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.313 0.025 19635 4084 1 9 . 1 1 44 44 ASP C C 44 176.385 176.385 175.488 0.897 19635 4085 1 9 . 1 1 44 44 ASP CA C 44 53.785 53.785 53.515 0.270 19635 4086 1 9 . 1 1 44 44 ASP CB C 44 38.989 38.989 40.106 -1.117 19635 4087 1 9 . 1 1 44 44 ASP H H 44 9.235 9.235 7.802 1.433 19635 4088 1 9 . 1 1 45 45 LEU N N 45 119.937 119.937 122.311 -2.374 19635 4089 1 9 . 1 1 45 45 LEU HA H 45 4.212 4.212 4.667 -0.455 19635 4090 1 9 . 1 1 45 45 LEU C C 45 173.563 173.563 174.997 -1.434 19635 4091 1 9 . 1 1 45 45 LEU CA C 45 57.881 57.881 55.672 2.209 19635 4092 1 9 . 1 1 45 45 LEU CB C 45 41.955 41.955 41.225 0.730 19635 4093 1 9 . 1 1 45 45 LEU H H 45 7.866 7.866 7.978 -0.112 19635 4094 1 9 . 1 1 46 46 PRO HA H 46 3.992 3.992 4.423 -0.431 19635 4095 1 9 . 1 1 46 46 PRO C C 46 177.160 177.160 177.572 -0.412 19635 4096 1 9 . 1 1 46 46 PRO CA C 46 65.036 65.036 62.737 2.299 19635 4097 1 9 . 1 1 46 46 PRO CB C 46 29.032 29.032 32.980 -3.948 19635 4098 1 9 . 1 1 47 47 GLY N N 47 111.431 111.431 107.679 3.752 19635 4099 1 9 . 1 1 47 47 GLY C C 47 173.827 173.827 173.715 0.112 19635 4100 1 9 . 1 1 47 47 GLY CA C 47 44.685 44.685 45.287 -0.602 19635 4101 1 9 . 1 1 47 47 GLY H H 47 9.411 9.411 8.926 0.485 19635 4102 1 9 . 1 1 48 48 GLN N N 48 117.897 117.897 118.332 -0.435 19635 4103 1 9 . 1 1 48 48 GLN HA H 48 4.507 4.507 4.911 -0.404 19635 4104 1 9 . 1 1 48 48 GLN C C 48 174.525 174.525 174.184 0.341 19635 4105 1 9 . 1 1 48 48 GLN CA C 48 54.695 54.695 53.637 1.058 19635 4106 1 9 . 1 1 48 48 GLN CB C 48 31.034 31.034 33.332 -2.298 19635 4107 1 9 . 1 1 48 48 GLN H H 48 7.871 7.871 7.683 0.188 19635 4108 1 9 . 1 1 49 49 GLU N N 49 120.443 120.443 121.510 -1.067 19635 4109 1 9 . 1 1 49 49 GLU HA H 49 4.815 4.815 4.499 0.316 19635 4110 1 9 . 1 1 49 49 GLU C C 49 175.672 175.672 175.566 0.106 19635 4111 1 9 . 1 1 49 49 GLU CA C 49 55.423 55.423 55.959 -0.536 19635 4112 1 9 . 1 1 49 49 GLU CB C 49 30.224 30.224 29.904 0.320 19635 4113 1 9 . 1 1 49 49 GLU H H 49 8.369 8.369 8.306 0.063 19635 4114 1 9 . 1 1 50 50 LEU N N 50 125.608 125.608 125.520 0.088 19635 4115 1 9 . 1 1 50 50 LEU HA H 50 5.010 5.010 4.798 0.212 19635 4116 1 9 . 1 1 50 50 LEU C C 50 176.338 176.338 177.073 -0.735 19635 4117 1 9 . 1 1 50 50 LEU CA C 50 53.232 53.232 52.883 0.349 19635 4118 1 9 . 1 1 50 50 LEU CB C 50 45.413 45.413 42.038 3.375 19635 4119 1 9 . 1 1 50 50 LEU H H 50 8.663 8.663 8.188 0.475 19635 4120 1 9 . 1 1 51 51 ASN N N 51 118.769 118.769 121.473 -2.704 19635 4121 1 9 . 1 1 51 51 ASN HA H 51 5.183 5.183 4.812 0.371 19635 4122 1 9 . 1 1 51 51 ASN C C 51 176.013 176.013 176.734 -0.721 19635 4123 1 9 . 1 1 51 51 ASN CA C 51 50.600 50.600 52.115 -1.515 19635 4124 1 9 . 1 1 51 51 ASN CB C 51 39.407 39.407 40.407 -1.000 19635 4125 1 9 . 1 1 51 51 ASN H H 51 8.897 8.897 8.634 0.263 19635 4126 1 9 . 1 1 52 52 LEU N N 52 118.818 118.818 123.334 -4.516 19635 4127 1 9 . 1 1 52 52 LEU HA H 52 4.041 4.041 4.105 -0.064 19635 4128 1 9 . 1 1 52 52 LEU C C 52 179.036 179.036 178.753 0.283 19635 4129 1 9 . 1 1 52 52 LEU CA C 52 58.609 58.609 58.612 -0.003 19635 4130 1 9 . 1 1 52 52 LEU CB C 52 41.773 41.773 40.948 0.825 19635 4131 1 9 . 1 1 52 52 LEU H H 52 8.585 8.585 9.037 -0.452 19635 4132 1 9 . 1 1 53 53 SER N N 53 115.007 115.007 113.754 1.253 19635 4133 1 9 . 1 1 53 53 SER HA H 53 4.358 4.358 4.123 0.235 19635 4134 1 9 . 1 1 53 53 SER C C 53 178.307 178.307 177.201 1.106 19635 4135 1 9 . 1 1 53 53 SER CA C 53 62.270 62.270 62.150 0.120 19635 4136 1 9 . 1 1 53 53 SER CB C 53 62.340 62.340 62.579 -0.239 19635 4137 1 9 . 1 1 53 53 SER H H 53 8.385 8.385 8.381 0.004 19635 4138 1 9 . 1 1 54 54 GLN N N 54 122.316 122.316 121.117 1.199 19635 4139 1 9 . 1 1 54 54 GLN HA H 54 4.219 4.219 4.144 0.075 19635 4140 1 9 . 1 1 54 54 GLN C C 54 179.361 179.361 178.743 0.618 19635 4141 1 9 . 1 1 54 54 GLN CA C 54 58.618 58.618 58.552 0.066 19635 4142 1 9 . 1 1 54 54 GLN CB C 54 29.942 29.942 28.724 1.218 19635 4143 1 9 . 1 1 54 54 GLN H H 54 8.478 8.478 7.788 0.690 19635 4144 1 9 . 1 1 55 55 LEU N N 55 122.348 122.348 121.200 1.148 19635 4145 1 9 . 1 1 55 55 LEU HA H 55 4.209 4.209 3.969 0.240 19635 4146 1 9 . 1 1 55 55 LEU C C 55 178.989 178.989 179.248 -0.259 19635 4147 1 9 . 1 1 55 55 LEU CA C 55 57.972 57.972 58.629 -0.657 19635 4148 1 9 . 1 1 55 55 LEU CB C 55 41.910 41.910 41.378 0.532 19635 4149 1 9 . 1 1 55 55 LEU H H 55 8.354 8.354 8.341 0.013 19635 4150 1 9 . 1 1 56 56 HIS N N 56 119.481 119.481 116.755 2.726 19635 4151 1 9 . 1 1 56 56 HIS HA H 56 4.358 4.358 4.324 0.034 19635 4152 1 9 . 1 1 56 56 HIS C C 56 179.671 179.671 177.595 2.076 19635 4153 1 9 . 1 1 56 56 HIS CA C 56 60.757 60.757 59.815 0.942 19635 4154 1 9 . 1 1 56 56 HIS CB C 56 30.670 30.670 29.907 0.763 19635 4155 1 9 . 1 1 56 56 HIS H H 56 8.592 8.592 8.621 -0.029 19635 4156 1 9 . 1 1 57 57 ALA N N 57 122.582 122.582 121.320 1.262 19635 4157 1 9 . 1 1 57 57 ALA HA H 57 4.289 4.289 4.148 0.141 19635 4158 1 9 . 1 1 57 57 ALA C C 57 179.919 179.919 179.173 0.746 19635 4159 1 9 . 1 1 57 57 ALA CA C 57 54.877 54.877 54.685 0.192 19635 4160 1 9 . 1 1 57 57 ALA CB C 57 17.716 17.716 18.079 -0.363 19635 4161 1 9 . 1 1 57 57 ALA H H 57 8.091 8.091 8.182 -0.091 19635 4162 1 9 . 1 1 58 58 ALA N N 58 122.641 122.641 121.298 1.343 19635 4163 1 9 . 1 1 58 58 ALA HA H 58 3.812 3.812 3.969 -0.157 19635 4164 1 9 . 1 1 58 58 ALA C C 58 178.570 178.570 179.003 -0.433 19635 4165 1 9 . 1 1 58 58 ALA CA C 58 55.149 55.149 54.850 0.299 19635 4166 1 9 . 1 1 58 58 ALA CB C 58 17.677 17.677 18.522 -0.845 19635 4167 1 9 . 1 1 58 58 ALA H H 58 7.835 7.835 7.886 -0.051 19635 4168 1 9 . 1 1 59 59 ALA N N 59 117.349 117.349 120.019 -2.670 19635 4169 1 9 . 1 1 59 59 ALA HA H 59 3.802 3.802 4.084 -0.282 19635 4170 1 9 . 1 1 59 59 ALA C C 59 179.360 179.360 179.328 0.032 19635 4171 1 9 . 1 1 59 59 ALA CA C 59 55.149 55.149 54.633 0.516 19635 4172 1 9 . 1 1 59 59 ALA CB C 59 17.509 17.509 18.293 -0.784 19635 4173 1 9 . 1 1 59 59 ALA H H 59 7.390 7.390 7.585 -0.195 19635 4174 1 9 . 1 1 60 60 ALA N N 60 119.393 119.393 121.631 -2.238 19635 4175 1 9 . 1 1 60 60 ALA HA H 60 4.279 4.279 4.071 0.208 19635 4176 1 9 . 1 1 60 60 ALA C C 60 179.315 179.315 179.508 -0.193 19635 4177 1 9 . 1 1 60 60 ALA CA C 60 54.644 54.644 54.802 -0.158 19635 4178 1 9 . 1 1 60 60 ALA CB C 60 17.625 17.625 18.397 -0.772 19635 4179 1 9 . 1 1 60 60 ALA H H 60 7.944 7.944 7.622 0.322 19635 4180 1 9 . 1 1 61 61 ARG N N 61 116.621 116.621 118.879 -2.258 19635 4181 1 9 . 1 1 61 61 ARG HA H 61 4.229 4.229 4.018 0.211 19635 4182 1 9 . 1 1 61 61 ARG C C 61 180.214 180.214 179.072 1.142 19635 4183 1 9 . 1 1 61 61 ARG CA C 61 59.519 59.519 59.507 0.012 19635 4184 1 9 . 1 1 61 61 ARG CB C 61 31.216 31.216 30.131 1.085 19635 4185 1 9 . 1 1 61 61 ARG H H 61 7.739 7.739 7.636 0.103 19635 4186 1 9 . 1 1 62 62 ILE N N 62 117.642 117.642 118.568 -0.926 19635 4187 1 9 . 1 1 62 62 ILE HA H 62 3.742 3.742 3.939 -0.197 19635 4188 1 9 . 1 1 62 62 ILE C C 62 178.214 178.214 178.004 0.210 19635 4189 1 9 . 1 1 62 62 ILE CA C 62 63.705 63.705 64.299 -0.594 19635 4190 1 9 . 1 1 62 62 ILE CB C 62 36.221 36.221 37.666 -1.445 19635 4191 1 9 . 1 1 62 62 ILE H H 62 7.315 7.315 7.307 0.008 19635 4192 1 9 . 1 1 63 63 GLY N N 63 107.326 107.326 109.286 -1.960 19635 4193 1 9 . 1 1 63 63 GLY C C 63 176.152 176.152 175.787 0.365 19635 4194 1 9 . 1 1 63 63 GLY CA C 63 47.975 47.975 47.720 0.255 19635 4195 1 9 . 1 1 63 63 GLY H H 63 7.862 7.862 8.431 -0.569 19635 4196 1 9 . 1 1 64 64 ASP N N 64 121.729 121.729 123.197 -1.468 19635 4197 1 9 . 1 1 64 64 ASP HA H 64 4.447 4.447 4.740 -0.293 19635 4198 1 9 . 1 1 64 64 ASP C C 64 178.338 178.338 178.446 -0.108 19635 4199 1 9 . 1 1 64 64 ASP CA C 64 57.516 57.516 57.844 -0.328 19635 4200 1 9 . 1 1 64 64 ASP CB C 64 40.135 40.135 40.841 -0.706 19635 4201 1 9 . 1 1 64 64 ASP H H 64 8.899 8.899 8.158 0.741 19635 4202 1 9 . 1 1 65 65 PHE N N 65 122.347 122.347 121.901 0.446 19635 4203 1 9 . 1 1 65 65 PHE HA H 65 4.259 4.259 4.045 0.214 19635 4204 1 9 . 1 1 65 65 PHE C C 65 176.989 176.989 177.082 -0.093 19635 4205 1 9 . 1 1 65 65 PHE CA C 65 61.357 61.357 61.864 -0.506 19635 4206 1 9 . 1 1 65 65 PHE CB C 65 39.589 39.589 39.148 0.441 19635 4207 1 9 . 1 1 65 65 PHE H H 65 7.662 7.662 7.709 -0.047 19635 4208 1 9 . 1 1 66 66 TYR N N 66 117.664 117.664 117.953 -0.289 19635 4209 1 9 . 1 1 66 66 TYR HA H 66 3.752 3.752 4.196 -0.444 19635 4210 1 9 . 1 1 66 66 TYR C C 66 179.253 179.253 178.418 0.835 19635 4211 1 9 . 1 1 66 66 TYR CA C 66 63.822 63.822 62.604 1.218 19635 4212 1 9 . 1 1 66 66 TYR CB C 66 38.532 38.532 38.319 0.213 19635 4213 1 9 . 1 1 66 66 TYR H H 66 8.105 8.105 8.366 -0.261 19635 4214 1 9 . 1 1 67 67 GLN N N 67 117.372 117.372 117.471 -0.099 19635 4215 1 9 . 1 1 67 67 GLN HA H 67 3.752 3.752 4.168 -0.416 19635 4216 1 9 . 1 1 67 67 GLN C C 67 180.322 180.322 178.944 1.378 19635 4217 1 9 . 1 1 67 67 GLN CA C 67 59.714 59.714 58.894 0.820 19635 4218 1 9 . 1 1 67 67 GLN CB C 67 27.759 27.759 28.402 -0.643 19635 4219 1 9 . 1 1 67 67 GLN H H 67 8.263 8.263 8.131 0.132 19635 4220 1 9 . 1 1 68 68 GLU N N 68 122.805 122.805 120.001 2.804 19635 4221 1 9 . 1 1 68 68 GLU HA H 68 4.130 4.130 4.061 0.069 19635 4222 1 9 . 1 1 68 68 GLU C C 68 178.400 178.400 177.453 0.947 19635 4223 1 9 . 1 1 68 68 GLU CA C 68 56.062 56.062 58.678 -2.616 19635 4224 1 9 . 1 1 68 68 GLU CB C 68 41.955 41.955 29.523 12.432 19635 4225 1 9 . 1 1 68 68 GLU H H 68 8.525 8.525 8.131 0.394 19635 4226 1 9 . 1 1 69 69 LYS N N 69 116.254 116.254 115.851 0.403 19635 4227 1 9 . 1 1 69 69 LYS HA H 69 4.223 4.223 4.108 0.115 19635 4228 1 9 . 1 1 69 69 LYS C C 69 176.090 176.090 176.416 -0.326 19635 4229 1 9 . 1 1 69 69 LYS CA C 69 54.692 54.692 55.676 -0.984 19635 4230 1 9 . 1 1 69 69 LYS CB C 69 31.685 31.685 32.149 -0.464 19635 4231 1 9 . 1 1 69 69 LYS H H 69 7.413 7.413 7.363 0.050 19635 4232 1 9 . 1 1 70 70 GLY N N 70 105.876 105.876 105.627 0.249 19635 4233 1 9 . 1 1 70 70 GLY C C 70 174.602 174.602 174.746 -0.144 19635 4234 1 9 . 1 1 70 70 GLY CA C 70 45.197 45.197 44.678 0.519 19635 4235 1 9 . 1 1 70 70 GLY H H 70 7.770 7.770 7.563 0.207 19635 4236 1 9 . 1 1 71 71 TYR N N 71 124.341 124.341 121.857 2.484 19635 4237 1 9 . 1 1 71 71 TYR HA H 71 4.795 4.795 4.755 0.040 19635 4238 1 9 . 1 1 71 71 TYR C C 71 177.082 177.082 176.091 0.991 19635 4239 1 9 . 1 1 71 71 TYR CA C 71 57.431 57.431 56.596 0.835 19635 4240 1 9 . 1 1 71 71 TYR CB C 71 36.524 36.524 36.282 0.242 19635 4241 1 9 . 1 1 71 71 TYR H H 71 8.387 8.387 8.068 0.319 19635 4242 1 9 . 1 1 72 72 VAL N N 72 113.636 113.636 122.065 -8.429 19635 4243 1 9 . 1 1 72 72 VAL HA H 72 4.010 4.010 3.857 0.153 19635 4244 1 9 . 1 1 72 72 VAL C C 72 176.989 176.989 176.957 0.032 19635 4245 1 9 . 1 1 72 72 VAL CA C 72 64.251 64.251 64.453 -0.202 19635 4246 1 9 . 1 1 72 72 VAL CB C 72 31.440 31.440 31.506 -0.066 19635 4247 1 9 . 1 1 72 72 VAL H H 72 7.239 7.239 7.672 -0.433 19635 4248 1 9 . 1 1 73 73 LEU N N 73 120.170 120.170 118.043 2.127 19635 4249 1 9 . 1 1 73 73 LEU HA H 73 4.487 4.487 4.367 0.120 19635 4250 1 9 . 1 1 73 73 LEU C C 73 176.927 176.927 176.748 0.179 19635 4251 1 9 . 1 1 73 73 LEU CA C 73 54.474 54.474 55.280 -0.806 19635 4252 1 9 . 1 1 73 73 LEU CB C 73 41.819 41.819 42.214 -0.395 19635 4253 1 9 . 1 1 73 73 LEU H H 73 8.765 8.765 7.842 0.923 19635 4254 1 9 . 1 1 74 74 ALA N N 74 122.084 122.084 121.997 0.087 19635 4255 1 9 . 1 1 74 74 ALA HA H 74 4.537 4.537 4.694 -0.157 19635 4256 1 9 . 1 1 74 74 ALA C C 74 177.516 177.516 176.854 0.662 19635 4257 1 9 . 1 1 74 74 ALA CA C 74 52.329 52.329 51.982 0.347 19635 4258 1 9 . 1 1 74 74 ALA CB C 74 21.065 21.065 19.852 1.213 19635 4259 1 9 . 1 1 74 74 ALA H H 74 7.322 7.322 7.509 -0.187 19635 4260 1 9 . 1 1 75 75 ARG N N 75 118.061 118.061 121.314 -3.253 19635 4261 1 9 . 1 1 75 75 ARG HA H 75 4.606 4.606 4.721 -0.115 19635 4262 1 9 . 1 1 75 75 ARG C C 75 173.036 173.036 173.933 -0.897 19635 4263 1 9 . 1 1 75 75 ARG CA C 75 54.604 54.604 53.756 0.848 19635 4264 1 9 . 1 1 75 75 ARG CB C 75 34.037 34.037 35.183 -1.146 19635 4265 1 9 . 1 1 75 75 ARG H H 75 8.521 8.521 8.600 -0.079 19635 4266 1 9 . 1 1 76 76 ALA N N 76 122.847 122.847 123.052 -0.205 19635 4267 1 9 . 1 1 76 76 ALA HA H 76 5.533 5.533 5.124 0.409 19635 4268 1 9 . 1 1 76 76 ALA C C 76 176.028 176.028 175.448 0.580 19635 4269 1 9 . 1 1 76 76 ALA CA C 76 50.219 50.219 50.606 -0.387 19635 4270 1 9 . 1 1 76 76 ALA CB C 76 22.464 22.464 21.526 0.938 19635 4271 1 9 . 1 1 76 76 ALA H H 76 8.553 8.553 8.646 -0.093 19635 4272 1 9 . 1 1 77 77 PHE N N 77 117.410 117.410 118.409 -0.999 19635 4273 1 9 . 1 1 77 77 PHE HA H 77 4.922 4.922 5.083 -0.161 19635 4274 1 9 . 1 1 77 77 PHE C C 77 172.091 172.091 173.065 -0.974 19635 4275 1 9 . 1 1 77 77 PHE CA C 77 55.697 55.697 55.264 0.433 19635 4276 1 9 . 1 1 77 77 PHE CB C 77 41.637 41.637 42.033 -0.396 19635 4277 1 9 . 1 1 77 77 PHE H H 77 9.079 9.079 8.739 0.340 19635 4278 1 9 . 1 1 78 78 LEU N N 78 123.541 123.541 123.630 -0.089 19635 4279 1 9 . 1 1 78 78 LEU HA H 78 5.023 5.023 4.787 0.236 19635 4280 1 9 . 1 1 78 78 LEU C C 78 174.494 174.494 174.971 -0.477 19635 4281 1 9 . 1 1 78 78 LEU CA C 78 51.328 51.328 50.693 0.635 19635 4282 1 9 . 1 1 78 78 LEU CB C 78 42.774 42.774 44.426 -1.652 19635 4283 1 9 . 1 1 78 78 LEU H H 78 9.031 9.031 8.911 0.120 19635 4284 1 9 . 1 1 79 79 PRO HA H 79 4.661 4.661 4.564 0.097 19635 4285 1 9 . 1 1 79 79 PRO C C 79 176.239 176.239 175.981 0.258 19635 4286 1 9 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.951 -0.884 19635 4287 1 9 . 1 1 79 79 PRO CB C 79 32.672 32.672 31.374 1.298 19635 4288 1 9 . 1 1 80 80 ALA N N 80 124.122 124.122 128.241 -4.119 19635 4289 1 9 . 1 1 80 80 ALA HA H 80 4.379 4.379 4.347 0.032 19635 4290 1 9 . 1 1 80 80 ALA C C 80 177.807 177.807 177.550 0.257 19635 4291 1 9 . 1 1 80 80 ALA CA C 80 53.291 53.291 52.249 1.042 19635 4292 1 9 . 1 1 80 80 ALA CB C 80 17.692 17.692 19.825 -2.133 19635 4293 1 9 . 1 1 80 80 ALA H H 80 8.488 8.488 8.113 0.375 19635 4294 1 9 . 1 1 81 81 GLN N N 81 118.018 118.018 117.509 0.509 19635 4295 1 9 . 1 1 81 81 GLN HA H 81 5.234 5.234 3.995 1.239 19635 4296 1 9 . 1 1 81 81 GLN C C 81 173.284 173.284 175.365 -2.081 19635 4297 1 9 . 1 1 81 81 GLN CA C 81 55.332 55.332 57.323 -1.991 19635 4298 1 9 . 1 1 81 81 GLN CB C 81 31.580 31.580 27.146 4.434 19635 4299 1 9 . 1 1 81 81 GLN H H 81 8.157 8.157 8.711 -0.554 19635 4300 1 9 . 1 1 83 83 ILE HA H 83 4.121 4.121 4.115 0.006 19635 4301 1 9 . 1 1 83 83 ILE C C 83 175.873 175.873 175.798 0.075 19635 4302 1 9 . 1 1 83 83 ILE CA C 83 62.249 62.249 60.391 1.858 19635 4303 1 9 . 1 1 83 83 ILE CB C 83 37.495 37.495 39.330 -1.835 19635 4304 1 9 . 1 1 84 84 GLN N N 84 126.522 126.522 122.680 3.842 19635 4305 1 9 . 1 1 84 84 GLN HA H 84 4.111 4.111 4.531 -0.420 19635 4306 1 9 . 1 1 84 84 GLN C C 84 176.028 176.028 175.725 0.303 19635 4307 1 9 . 1 1 84 84 GLN CA C 84 61.521 61.521 54.224 7.296 19635 4308 1 9 . 1 1 84 84 GLN CB C 84 37.464 37.464 30.468 6.996 19635 4309 1 9 . 1 1 84 84 GLN H H 84 8.679 8.679 8.328 0.351 19635 4310 1 9 . 1 1 85 85 ASP HA H 85 4.488 4.488 4.362 0.126 19635 4311 1 9 . 1 1 85 85 ASP C C 85 176.709 176.709 176.268 0.441 19635 4312 1 9 . 1 1 85 85 ASP CA C 85 54.513 54.513 53.673 0.840 19635 4313 1 9 . 1 1 85 85 ASP CB C 85 40.643 40.643 39.071 1.572 19635 4314 1 9 . 1 1 86 86 GLY N N 86 104.397 104.397 107.957 -3.560 19635 4315 1 9 . 1 1 86 86 GLY C C 86 174.308 174.308 172.938 1.370 19635 4316 1 9 . 1 1 86 86 GLY CA C 86 46.323 46.323 45.576 0.747 19635 4317 1 9 . 1 1 86 86 GLY H H 86 8.310 8.310 8.351 -0.041 19635 4318 1 9 . 1 1 87 87 THR N N 87 119.045 119.045 119.590 -0.545 19635 4319 1 9 . 1 1 87 87 THR HA H 87 4.670 4.670 4.854 -0.184 19635 4320 1 9 . 1 1 87 87 THR C C 87 172.943 172.943 173.590 -0.647 19635 4321 1 9 . 1 1 87 87 THR CA C 87 61.905 61.905 62.998 -1.093 19635 4322 1 9 . 1 1 87 87 THR CB C 87 68.779 68.779 69.674 -0.895 19635 4323 1 9 . 1 1 87 87 THR H H 87 7.877 7.877 7.498 0.379 19635 4324 1 9 . 1 1 88 88 VAL N N 88 127.859 127.859 120.760 7.099 19635 4325 1 9 . 1 1 88 88 VAL HA H 88 4.110 4.110 4.538 -0.428 19635 4326 1 9 . 1 1 88 88 VAL C C 88 174.463 174.463 174.210 0.253 19635 4327 1 9 . 1 1 88 88 VAL CA C 88 61.157 61.157 59.764 1.393 19635 4328 1 9 . 1 1 88 88 VAL CB C 88 33.237 33.237 33.648 -0.411 19635 4329 1 9 . 1 1 88 88 VAL H H 88 8.241 8.241 8.248 -0.007 19635 4330 1 9 . 1 1 89 89 ARG N N 89 129.825 129.825 127.683 2.142 19635 4331 1 9 . 1 1 89 89 ARG HA H 89 5.234 5.234 5.084 0.150 19635 4332 1 9 . 1 1 89 89 ARG C C 89 175.470 175.470 175.750 -0.280 19635 4333 1 9 . 1 1 89 89 ARG CA C 89 55.357 55.357 54.926 0.431 19635 4334 1 9 . 1 1 89 89 ARG CB C 89 31.594 31.594 31.250 0.344 19635 4335 1 9 . 1 1 89 89 ARG H H 89 9.541 9.541 8.570 0.971 19635 4336 1 9 . 1 1 90 90 ILE N N 90 123.428 123.428 127.642 -4.214 19635 4337 1 9 . 1 1 90 90 ILE HA H 90 4.299 4.299 4.121 0.178 19635 4338 1 9 . 1 1 90 90 ILE C C 90 174.106 174.106 174.522 -0.416 19635 4339 1 9 . 1 1 90 90 ILE CA C 90 60.444 60.444 60.574 -0.130 19635 4340 1 9 . 1 1 90 90 ILE CB C 90 41.390 41.390 40.132 1.258 19635 4341 1 9 . 1 1 90 90 ILE H H 90 8.641 8.641 9.145 -0.504 19635 4342 1 9 . 1 1 91 91 GLU N N 91 126.760 126.760 127.006 -0.246 19635 4343 1 9 . 1 1 91 91 GLU HA H 91 4.903 4.903 5.083 -0.180 19635 4344 1 9 . 1 1 91 91 GLU C C 91 174.246 174.246 175.678 -1.432 19635 4345 1 9 . 1 1 91 91 GLU CA C 91 54.422 54.422 54.465 -0.042 19635 4346 1 9 . 1 1 91 91 GLU CB C 91 32.035 32.035 30.926 1.109 19635 4347 1 9 . 1 1 91 91 GLU H H 91 8.388 8.388 8.674 -0.286 19635 4348 1 9 . 1 1 92 92 VAL N N 92 122.222 122.222 125.119 -2.897 19635 4349 1 9 . 1 1 92 92 VAL HA H 92 4.385 4.385 3.945 0.440 19635 4350 1 9 . 1 1 92 92 VAL C C 92 174.835 174.835 174.968 -0.133 19635 4351 1 9 . 1 1 92 92 VAL CA C 92 61.066 61.066 61.804 -0.738 19635 4352 1 9 . 1 1 92 92 VAL CB C 92 33.946 33.946 32.272 1.675 19635 4353 1 9 . 1 1 92 92 VAL H H 92 8.790 8.790 8.908 -0.118 19635 4354 1 9 . 1 1 93 93 LEU N N 93 128.617 128.617 130.761 -2.144 19635 4355 1 9 . 1 1 93 93 LEU HA H 93 4.812 4.812 4.711 0.101 19635 4356 1 9 . 1 1 93 93 LEU C C 93 176.540 176.540 176.326 0.214 19635 4357 1 9 . 1 1 93 93 LEU CA C 93 53.148 53.148 53.390 -0.242 19635 4358 1 9 . 1 1 93 93 LEU CB C 93 43.229 43.229 41.852 1.377 19635 4359 1 9 . 1 1 93 93 LEU H H 93 8.980 8.980 9.103 -0.123 19635 4360 1 9 . 1 1 94 94 GLU N N 94 123.476 123.476 124.872 -1.396 19635 4361 1 9 . 1 1 94 94 GLU HA H 94 3.821 3.821 4.063 -0.242 19635 4362 1 9 . 1 1 94 94 GLU C C 94 175.408 175.408 175.979 -0.571 19635 4363 1 9 . 1 1 94 94 GLU CA C 94 57.797 57.797 57.583 0.214 19635 4364 1 9 . 1 1 94 94 GLU CB C 94 29.676 29.676 30.020 -0.344 19635 4365 1 9 . 1 1 94 94 GLU H H 94 8.930 8.930 8.207 0.723 19635 4366 1 10 . 1 1 8 8 HIS HA H 8 4.637 4.637 4.744 -0.107 19635 4367 1 10 . 1 1 8 8 HIS C C 8 174.897 174.897 173.750 1.147 19635 4368 1 10 . 1 1 8 8 HIS CA C 8 56.534 56.534 54.752 1.782 19635 4369 1 10 . 1 1 8 8 HIS CB C 8 31.030 31.030 29.508 1.522 19635 4370 1 10 . 1 1 9 9 VAL N N 9 121.834 121.834 123.222 -1.388 19635 4371 1 10 . 1 1 9 9 VAL HA H 9 4.111 4.111 4.189 -0.078 19635 4372 1 10 . 1 1 9 9 VAL C C 9 175.486 175.486 175.426 0.060 19635 4373 1 10 . 1 1 9 9 VAL CA C 9 62.115 62.115 61.586 0.529 19635 4374 1 10 . 1 1 9 9 VAL CB C 9 33.036 33.036 32.599 0.437 19635 4375 1 10 . 1 1 9 9 VAL H H 9 7.998 7.998 7.615 0.383 19635 4376 1 10 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.733 -0.150 19635 4377 1 10 . 1 1 10 10 ASP CA C 10 54.510 54.510 53.269 1.242 19635 4378 1 10 . 1 1 10 10 ASP CB C 10 41.545 41.545 42.463 -0.918 19635 4379 1 10 . 1 1 11 11 ASP HA H 11 4.583 4.583 4.428 0.155 19635 4380 1 10 . 1 1 11 11 ASP C C 11 176.012 176.012 175.985 0.027 19635 4381 1 10 . 1 1 11 11 ASP CA C 11 54.692 54.692 54.471 0.221 19635 4382 1 10 . 1 1 11 11 ASP CB C 11 41.545 41.545 41.389 0.156 19635 4383 1 10 . 1 1 12 12 ASP N N 12 120.751 120.751 120.313 0.438 19635 4384 1 10 . 1 1 12 12 ASP HA H 12 4.581 4.581 4.356 0.225 19635 4385 1 10 . 1 1 12 12 ASP C C 12 176.385 176.385 174.983 1.402 19635 4386 1 10 . 1 1 12 12 ASP CA C 12 54.695 54.695 55.124 -0.429 19635 4387 1 10 . 1 1 12 12 ASP CB C 12 41.363 41.363 40.548 0.815 19635 4388 1 10 . 1 1 12 12 ASP H H 12 8.249 8.249 8.257 -0.008 19635 4389 1 10 . 1 1 13 13 ASP N N 13 120.536 120.536 119.311 1.225 19635 4390 1 10 . 1 1 13 13 ASP HA H 13 4.576 4.576 4.190 0.386 19635 4391 1 10 . 1 1 13 13 ASP C C 13 176.818 176.818 174.962 1.856 19635 4392 1 10 . 1 1 13 13 ASP CA C 13 54.877 54.877 55.032 -0.155 19635 4393 1 10 . 1 1 13 13 ASP CB C 13 41.318 41.318 41.427 -0.109 19635 4394 1 10 . 1 1 13 13 ASP H H 13 8.291 8.291 8.557 -0.266 19635 4395 1 10 . 1 1 14 14 LYS N N 14 120.496 120.496 122.270 -1.774 19635 4396 1 10 . 1 1 14 14 LYS HA H 14 4.303 4.303 4.111 0.192 19635 4397 1 10 . 1 1 14 14 LYS C C 14 177.190 177.190 175.843 1.347 19635 4398 1 10 . 1 1 14 14 LYS CA C 14 56.788 56.788 56.906 -0.118 19635 4399 1 10 . 1 1 14 14 LYS CB C 14 32.399 32.399 32.372 0.027 19635 4400 1 10 . 1 1 14 14 LYS H H 14 8.181 8.181 8.289 -0.108 19635 4401 1 10 . 1 1 15 15 MET N N 15 119.518 119.518 125.116 -5.598 19635 4402 1 10 . 1 1 15 15 MET HA H 15 4.546 4.546 4.535 0.011 19635 4403 1 10 . 1 1 15 15 MET C C 15 176.881 176.881 175.734 1.147 19635 4404 1 10 . 1 1 15 15 MET CA C 15 55.696 55.696 55.025 0.671 19635 4405 1 10 . 1 1 15 15 MET CB C 15 32.490 32.490 34.437 -1.947 19635 4406 1 10 . 1 1 15 15 MET H H 15 8.276 8.276 8.066 0.210 19635 4407 1 10 . 1 1 16 16 GLY N N 16 109.506 109.506 111.564 -2.058 19635 4408 1 10 . 1 1 16 16 GLY C C 16 174.432 174.432 173.802 0.630 19635 4409 1 10 . 1 1 16 16 GLY CA C 16 45.498 45.498 44.704 0.794 19635 4410 1 10 . 1 1 16 16 GLY H H 16 8.373 8.373 8.861 -0.488 19635 4411 1 10 . 1 1 17 17 GLY N N 17 108.711 108.711 106.568 2.143 19635 4412 1 10 . 1 1 17 17 GLY C C 17 171.409 171.409 171.783 -0.374 19635 4413 1 10 . 1 1 17 17 GLY CA C 17 44.685 44.685 44.187 0.498 19635 4414 1 10 . 1 1 17 17 GLY H H 17 8.116 8.116 7.772 0.344 19635 4415 1 10 . 1 1 18 18 PRO HA H 18 4.744 4.744 4.403 0.341 19635 4416 1 10 . 1 1 18 18 PRO C C 18 176.462 176.462 176.932 -0.470 19635 4417 1 10 . 1 1 18 18 PRO CA C 18 62.795 62.795 62.987 -0.192 19635 4418 1 10 . 1 1 18 18 PRO CB C 18 35.220 35.220 32.084 3.136 19635 4419 1 10 . 1 1 19 19 THR N N 19 111.524 111.524 115.151 -3.627 19635 4420 1 10 . 1 1 19 19 THR HA H 19 4.744 4.744 4.579 0.165 19635 4421 1 10 . 1 1 19 19 THR C C 19 173.827 173.827 174.608 -0.781 19635 4422 1 10 . 1 1 19 19 THR CA C 19 59.988 59.988 61.350 -1.362 19635 4423 1 10 . 1 1 19 19 THR CB C 19 71.622 71.622 69.776 1.845 19635 4424 1 10 . 1 1 19 19 THR H H 19 8.229 8.229 8.359 -0.130 19635 4425 1 10 . 1 1 20 20 VAL N N 20 119.259 119.259 124.568 -5.309 19635 4426 1 10 . 1 1 20 20 VAL HA H 20 4.378 4.378 4.345 0.033 19635 4427 1 10 . 1 1 20 20 VAL C C 20 173.718 173.718 174.716 -0.998 19635 4428 1 10 . 1 1 20 20 VAL CA C 20 59.714 59.714 60.390 -0.676 19635 4429 1 10 . 1 1 20 20 VAL CB C 20 35.482 35.482 33.876 1.606 19635 4430 1 10 . 1 1 20 20 VAL H H 20 8.740 8.740 9.112 -0.372 19635 4431 1 10 . 1 1 21 21 LEU N N 21 127.557 127.557 129.452 -1.895 19635 4432 1 10 . 1 1 21 21 LEU HA H 21 4.427 4.427 4.469 -0.042 19635 4433 1 10 . 1 1 21 21 LEU C C 21 175.362 175.362 175.516 -0.154 19635 4434 1 10 . 1 1 21 21 LEU CA C 21 54.604 54.604 54.733 -0.129 19635 4435 1 10 . 1 1 21 21 LEU CB C 21 40.720 40.720 42.327 -1.607 19635 4436 1 10 . 1 1 21 21 LEU H H 21 8.229 8.229 8.759 -0.530 19635 4437 1 10 . 1 1 22 22 VAL N N 22 128.501 128.501 126.783 1.718 19635 4438 1 10 . 1 1 22 22 VAL HA H 22 3.648 3.648 4.190 -0.542 19635 4439 1 10 . 1 1 22 22 VAL C C 22 175.346 175.346 175.165 0.181 19635 4440 1 10 . 1 1 22 22 VAL CA C 22 63.146 63.146 62.123 1.023 19635 4441 1 10 . 1 1 22 22 VAL CB C 22 32.151 32.151 32.034 0.117 19635 4442 1 10 . 1 1 22 22 VAL H H 22 8.132 8.132 8.208 -0.076 19635 4443 1 10 . 1 1 23 23 LYS N N 23 127.302 127.302 127.858 -0.556 19635 4444 1 10 . 1 1 23 23 LYS HA H 23 4.420 4.420 4.380 0.040 19635 4445 1 10 . 1 1 23 23 LYS C C 23 176.385 176.385 176.660 -0.275 19635 4446 1 10 . 1 1 23 23 LYS CA C 23 56.975 56.975 57.339 -0.364 19635 4447 1 10 . 1 1 23 23 LYS CB C 23 34.150 34.150 33.543 0.607 19635 4448 1 10 . 1 1 23 23 LYS H H 23 9.694 9.694 9.006 0.688 19635 4449 1 10 . 1 1 24 24 ARG N N 24 114.443 114.443 116.149 -1.706 19635 4450 1 10 . 1 1 24 24 ARG HA H 24 4.468 4.468 4.590 -0.122 19635 4451 1 10 . 1 1 24 24 ARG C C 24 172.401 172.401 173.636 -1.235 19635 4452 1 10 . 1 1 24 24 ARG CA C 24 54.596 54.596 55.490 -0.894 19635 4453 1 10 . 1 1 24 24 ARG CB C 24 32.125 32.125 32.254 -0.129 19635 4454 1 10 . 1 1 24 24 ARG H H 24 7.735 7.735 7.505 0.230 19635 4455 1 10 . 1 1 25 25 PHE N N 25 117.669 117.669 118.675 -1.006 19635 4456 1 10 . 1 1 25 25 PHE HA H 25 5.561 5.561 5.375 0.186 19635 4457 1 10 . 1 1 25 25 PHE C C 25 174.618 174.618 175.495 -0.877 19635 4458 1 10 . 1 1 25 25 PHE CA C 25 56.333 56.333 56.620 -0.287 19635 4459 1 10 . 1 1 25 25 PHE CB C 25 42.319 42.319 41.041 1.278 19635 4460 1 10 . 1 1 25 25 PHE H H 25 8.550 8.550 8.616 -0.066 19635 4461 1 10 . 1 1 26 26 GLN N N 26 121.215 121.215 123.012 -1.797 19635 4462 1 10 . 1 1 26 26 GLN HA H 26 4.576 4.576 4.873 -0.297 19635 4463 1 10 . 1 1 26 26 GLN C C 26 173.904 173.904 174.417 -0.513 19635 4464 1 10 . 1 1 26 26 GLN CA C 26 54.695 54.695 54.133 0.562 19635 4465 1 10 . 1 1 26 26 GLN CB C 26 32.077 32.077 31.870 0.207 19635 4466 1 10 . 1 1 26 26 GLN H H 26 8.926 8.926 9.290 -0.364 19635 4467 1 10 . 1 1 27 27 LEU N N 27 126.971 126.971 128.735 -1.764 19635 4468 1 10 . 1 1 27 27 LEU HA H 27 5.285 5.285 5.240 0.045 19635 4469 1 10 . 1 1 27 27 LEU C C 27 177.098 177.098 176.440 0.658 19635 4470 1 10 . 1 1 27 27 LEU CA C 27 53.512 53.512 53.594 -0.082 19635 4471 1 10 . 1 1 27 27 LEU CB C 27 44.048 44.048 42.681 1.367 19635 4472 1 10 . 1 1 27 27 LEU H H 27 8.906 8.906 9.155 -0.249 19635 4473 1 10 . 1 1 28 28 SER N N 28 114.562 114.562 118.078 -3.516 19635 4474 1 10 . 1 1 28 28 SER HA H 28 4.866 4.866 4.674 0.192 19635 4475 1 10 . 1 1 28 28 SER C C 28 173.811 173.811 174.631 -0.820 19635 4476 1 10 . 1 1 28 28 SER CA C 28 57.249 57.249 57.014 0.235 19635 4477 1 10 . 1 1 28 28 SER CB C 28 65.161 65.161 64.245 0.916 19635 4478 1 10 . 1 1 28 28 SER H H 28 8.114 8.114 8.891 -0.777 19635 4479 1 10 . 1 1 29 29 GLY N N 29 112.273 112.273 113.848 -1.575 19635 4480 1 10 . 1 1 29 29 GLY C C 29 173.548 173.548 172.945 0.603 19635 4481 1 10 . 1 1 29 29 GLY CA C 29 45.235 45.235 45.269 -0.034 19635 4482 1 10 . 1 1 29 29 GLY H H 29 8.714 8.714 8.852 -0.138 19635 4483 1 10 . 1 1 30 30 ASN N N 30 114.106 114.106 117.521 -3.415 19635 4484 1 10 . 1 1 30 30 ASN HA H 30 4.536 4.536 4.811 -0.275 19635 4485 1 10 . 1 1 30 30 ASN C C 30 174.804 174.804 174.956 -0.152 19635 4486 1 10 . 1 1 30 30 ASN CA C 30 53.876 53.876 52.467 1.409 19635 4487 1 10 . 1 1 30 30 ASN CB C 30 37.495 37.495 37.773 -0.278 19635 4488 1 10 . 1 1 30 30 ASN H H 30 9.436 9.436 8.007 1.429 19635 4489 1 10 . 1 1 31 31 ARG N N 31 124.382 124.382 123.553 0.829 19635 4490 1 10 . 1 1 31 31 ARG HA H 31 4.408 4.408 4.523 -0.115 19635 4491 1 10 . 1 1 31 31 ARG C C 31 177.656 177.656 177.081 0.575 19635 4492 1 10 . 1 1 31 31 ARG CA C 31 57.066 57.066 56.648 0.419 19635 4493 1 10 . 1 1 31 31 ARG CB C 31 32.689 32.689 31.218 1.471 19635 4494 1 10 . 1 1 31 31 ARG H H 31 9.427 9.427 9.576 -0.149 19635 4495 1 10 . 1 1 32 32 GLN N N 32 122.307 122.307 118.355 3.952 19635 4496 1 10 . 1 1 32 32 GLN HA H 32 3.804 3.804 3.905 -0.101 19635 4497 1 10 . 1 1 32 32 GLN C C 32 175.005 175.005 175.810 -0.805 19635 4498 1 10 . 1 1 32 32 GLN CA C 32 57.243 57.243 57.165 0.078 19635 4499 1 10 . 1 1 32 32 GLN CB C 32 28.850 28.850 29.101 -0.251 19635 4500 1 10 . 1 1 32 32 GLN H H 32 10.333 10.333 9.015 1.318 19635 4501 1 10 . 1 1 33 33 PHE N N 33 110.633 110.633 116.551 -5.918 19635 4502 1 10 . 1 1 33 33 PHE HA H 33 4.815 4.815 4.645 0.170 19635 4503 1 10 . 1 1 33 33 PHE C C 33 174.215 174.215 173.910 0.305 19635 4504 1 10 . 1 1 33 33 PHE CA C 33 55.514 55.514 56.354 -0.840 19635 4505 1 10 . 1 1 33 33 PHE CB C 33 43.006 43.006 42.316 0.690 19635 4506 1 10 . 1 1 33 33 PHE H H 33 6.698 6.698 7.512 -0.814 19635 4507 1 10 . 1 1 34 34 ASP N N 34 120.588 120.588 119.469 1.119 19635 4508 1 10 . 1 1 34 34 ASP HA H 34 4.547 4.547 4.633 -0.086 19635 4509 1 10 . 1 1 34 34 ASP C C 34 175.253 175.253 176.831 -1.578 19635 4510 1 10 . 1 1 34 34 ASP CA C 34 52.684 52.684 53.184 -0.500 19635 4511 1 10 . 1 1 34 34 ASP CB C 34 42.276 42.276 42.660 -0.384 19635 4512 1 10 . 1 1 34 34 ASP H H 34 8.477 8.477 8.204 0.273 19635 4513 1 10 . 1 1 35 35 ASP N N 35 118.353 118.353 120.968 -2.615 19635 4514 1 10 . 1 1 35 35 ASP HA H 35 4.022 4.022 4.262 -0.240 19635 4515 1 10 . 1 1 35 35 ASP C C 35 177.826 177.826 178.292 -0.466 19635 4516 1 10 . 1 1 35 35 ASP CA C 35 57.607 57.607 58.803 -1.196 19635 4517 1 10 . 1 1 35 35 ASP CB C 35 39.771 39.771 40.839 -1.068 19635 4518 1 10 . 1 1 35 35 ASP H H 35 8.507 8.507 8.793 -0.286 19635 4519 1 10 . 1 1 36 36 ARG N N 36 117.028 117.028 119.096 -2.068 19635 4520 1 10 . 1 1 36 36 ARG HA H 36 3.873 3.873 3.901 -0.028 19635 4521 1 10 . 1 1 36 36 ARG C C 36 179.206 179.206 178.355 0.851 19635 4522 1 10 . 1 1 36 36 ARG CA C 36 59.610 59.610 59.187 0.423 19635 4523 1 10 . 1 1 36 36 ARG CB C 36 29.422 29.422 30.215 -0.793 19635 4524 1 10 . 1 1 36 36 ARG H H 36 8.111 8.111 7.997 0.114 19635 4525 1 10 . 1 1 37 37 ARG N N 37 119.265 119.265 120.005 -0.740 19635 4526 1 10 . 1 1 37 37 ARG HA H 37 4.020 4.020 4.066 -0.046 19635 4527 1 10 . 1 1 37 37 ARG C C 37 177.950 177.950 178.292 -0.342 19635 4528 1 10 . 1 1 37 37 ARG CA C 37 57.698 57.698 58.414 -0.716 19635 4529 1 10 . 1 1 37 37 ARG CB C 37 30.124 30.124 29.517 0.607 19635 4530 1 10 . 1 1 37 37 ARG H H 37 7.826 7.826 7.913 -0.087 19635 4531 1 10 . 1 1 38 38 LEU N N 38 115.462 115.462 118.500 -3.038 19635 4532 1 10 . 1 1 38 38 LEU HA H 38 3.819 3.819 3.989 -0.170 19635 4533 1 10 . 1 1 38 38 LEU C C 38 179.067 179.067 179.322 -0.255 19635 4534 1 10 . 1 1 38 38 LEU CA C 38 56.333 56.333 56.127 0.206 19635 4535 1 10 . 1 1 38 38 LEU CB C 38 42.046 42.046 41.321 0.725 19635 4536 1 10 . 1 1 38 38 LEU H H 38 7.365 7.365 7.740 -0.375 19635 4537 1 10 . 1 1 39 39 LEU N N 39 117.922 117.922 121.555 -3.633 19635 4538 1 10 . 1 1 39 39 LEU HA H 39 3.823 3.823 3.822 0.001 19635 4539 1 10 . 1 1 39 39 LEU C C 39 181.051 181.051 179.012 2.039 19635 4540 1 10 . 1 1 39 39 LEU CA C 39 57.607 57.607 57.423 0.184 19635 4541 1 10 . 1 1 39 39 LEU CB C 39 41.089 41.089 40.541 0.548 19635 4542 1 10 . 1 1 39 39 LEU H H 39 9.081 9.081 8.558 0.523 19635 4543 1 10 . 1 1 40 40 ALA N N 40 121.136 121.136 121.203 -0.067 19635 4544 1 10 . 1 1 40 40 ALA HA H 40 4.077 4.077 4.022 0.055 19635 4545 1 10 . 1 1 40 40 ALA C C 40 180.059 180.059 179.688 0.371 19635 4546 1 10 . 1 1 40 40 ALA CA C 40 54.514 54.514 54.484 0.030 19635 4547 1 10 . 1 1 40 40 ALA CB C 40 17.716 17.716 18.187 -0.471 19635 4548 1 10 . 1 1 40 40 ALA H H 40 7.266 7.266 7.617 -0.351 19635 4549 1 10 . 1 1 41 41 LEU N N 41 115.253 115.253 117.972 -2.719 19635 4550 1 10 . 1 1 41 41 LEU HA H 41 4.128 4.128 4.069 0.059 19635 4551 1 10 . 1 1 41 41 LEU C C 41 177.966 177.966 177.103 0.863 19635 4552 1 10 . 1 1 41 41 LEU CA C 41 55.971 55.971 56.980 -1.009 19635 4553 1 10 . 1 1 41 41 LEU CB C 41 42.093 42.093 42.209 -0.117 19635 4554 1 10 . 1 1 41 41 LEU H H 41 7.215 7.215 7.624 -0.409 19635 4555 1 10 . 1 1 42 42 LEU N N 42 116.365 116.365 115.868 0.497 19635 4556 1 10 . 1 1 42 42 LEU HA H 42 4.298 4.298 4.446 -0.148 19635 4557 1 10 . 1 1 42 42 LEU C C 42 177.842 177.842 177.278 0.564 19635 4558 1 10 . 1 1 42 42 LEU CA C 42 53.232 53.232 51.821 1.411 19635 4559 1 10 . 1 1 42 42 LEU CB C 42 41.955 41.955 38.565 3.390 19635 4560 1 10 . 1 1 42 42 LEU H H 42 7.392 7.392 7.761 -0.369 19635 4561 1 10 . 1 1 43 43 HIS N N 43 117.222 117.222 119.266 -2.044 19635 4562 1 10 . 1 1 43 43 HIS HA H 43 4.279 4.279 4.257 0.022 19635 4563 1 10 . 1 1 43 43 HIS C C 43 174.494 174.494 175.260 -0.766 19635 4564 1 10 . 1 1 43 43 HIS CA C 43 59.428 59.428 58.679 0.749 19635 4565 1 10 . 1 1 43 43 HIS CB C 43 31.216 31.216 29.435 1.781 19635 4566 1 10 . 1 1 43 43 HIS H H 43 7.012 7.012 7.510 -0.498 19635 4567 1 10 . 1 1 44 44 ASP N N 44 116.296 116.296 116.622 -0.326 19635 4568 1 10 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.417 -0.079 19635 4569 1 10 . 1 1 44 44 ASP C C 44 176.385 176.385 175.567 0.818 19635 4570 1 10 . 1 1 44 44 ASP CA C 44 53.785 53.785 53.675 0.110 19635 4571 1 10 . 1 1 44 44 ASP CB C 44 38.989 38.989 40.427 -1.438 19635 4572 1 10 . 1 1 44 44 ASP H H 44 9.235 9.235 7.910 1.325 19635 4573 1 10 . 1 1 45 45 LEU N N 45 119.937 119.937 120.824 -0.887 19635 4574 1 10 . 1 1 45 45 LEU HA H 45 4.212 4.212 4.723 -0.511 19635 4575 1 10 . 1 1 45 45 LEU C C 45 173.563 173.563 175.375 -1.812 19635 4576 1 10 . 1 1 45 45 LEU CA C 45 57.881 57.881 56.333 1.548 19635 4577 1 10 . 1 1 45 45 LEU CB C 45 41.955 41.955 40.582 1.373 19635 4578 1 10 . 1 1 45 45 LEU H H 45 7.866 7.866 7.947 -0.081 19635 4579 1 10 . 1 1 46 46 PRO HA H 46 3.992 3.992 4.278 -0.286 19635 4580 1 10 . 1 1 46 46 PRO C C 46 177.160 177.160 177.702 -0.542 19635 4581 1 10 . 1 1 46 46 PRO CA C 46 65.036 65.036 63.426 1.610 19635 4582 1 10 . 1 1 46 46 PRO CB C 46 29.032 29.032 32.438 -3.406 19635 4583 1 10 . 1 1 47 47 GLY N N 47 111.431 111.431 109.146 2.285 19635 4584 1 10 . 1 1 47 47 GLY C C 47 173.827 173.827 173.899 -0.072 19635 4585 1 10 . 1 1 47 47 GLY CA C 47 44.685 44.685 45.075 -0.390 19635 4586 1 10 . 1 1 47 47 GLY H H 47 9.411 9.411 8.969 0.442 19635 4587 1 10 . 1 1 48 48 GLN N N 48 117.897 117.897 119.900 -2.003 19635 4588 1 10 . 1 1 48 48 GLN HA H 48 4.507 4.507 4.575 -0.068 19635 4589 1 10 . 1 1 48 48 GLN C C 48 174.525 174.525 174.035 0.490 19635 4590 1 10 . 1 1 48 48 GLN CA C 48 54.695 54.695 53.951 0.744 19635 4591 1 10 . 1 1 48 48 GLN CB C 48 31.034 31.034 31.362 -0.328 19635 4592 1 10 . 1 1 48 48 GLN H H 48 7.871 7.871 7.463 0.408 19635 4593 1 10 . 1 1 49 49 GLU N N 49 120.443 120.443 120.818 -0.375 19635 4594 1 10 . 1 1 49 49 GLU HA H 49 4.815 4.815 4.488 0.327 19635 4595 1 10 . 1 1 49 49 GLU C C 49 175.672 175.672 175.613 0.059 19635 4596 1 10 . 1 1 49 49 GLU CA C 49 55.423 55.423 55.798 -0.375 19635 4597 1 10 . 1 1 49 49 GLU CB C 49 30.224 30.224 30.108 0.116 19635 4598 1 10 . 1 1 49 49 GLU H H 49 8.369 8.369 8.603 -0.234 19635 4599 1 10 . 1 1 50 50 LEU N N 50 125.608 125.608 126.202 -0.594 19635 4600 1 10 . 1 1 50 50 LEU HA H 50 5.010 5.010 4.642 0.368 19635 4601 1 10 . 1 1 50 50 LEU C C 50 176.338 176.338 176.429 -0.091 19635 4602 1 10 . 1 1 50 50 LEU CA C 50 53.232 53.232 52.352 0.880 19635 4603 1 10 . 1 1 50 50 LEU CB C 50 45.413 45.413 42.783 2.630 19635 4604 1 10 . 1 1 50 50 LEU H H 50 8.663 8.663 8.555 0.108 19635 4605 1 10 . 1 1 51 51 ASN N N 51 118.769 118.769 120.178 -1.409 19635 4606 1 10 . 1 1 51 51 ASN HA H 51 5.183 5.183 4.724 0.459 19635 4607 1 10 . 1 1 51 51 ASN C C 51 176.013 176.013 176.625 -0.612 19635 4608 1 10 . 1 1 51 51 ASN CA C 51 50.600 50.600 51.738 -1.138 19635 4609 1 10 . 1 1 51 51 ASN CB C 51 39.407 39.407 39.114 0.293 19635 4610 1 10 . 1 1 51 51 ASN H H 51 8.897 8.897 8.542 0.355 19635 4611 1 10 . 1 1 52 52 LEU N N 52 118.818 118.818 120.024 -1.206 19635 4612 1 10 . 1 1 52 52 LEU HA H 52 4.041 4.041 4.033 0.008 19635 4613 1 10 . 1 1 52 52 LEU C C 52 179.036 179.036 178.712 0.324 19635 4614 1 10 . 1 1 52 52 LEU CA C 52 58.609 58.609 58.275 0.334 19635 4615 1 10 . 1 1 52 52 LEU CB C 52 41.773 41.773 40.761 1.012 19635 4616 1 10 . 1 1 52 52 LEU H H 52 8.585 8.585 8.458 0.127 19635 4617 1 10 . 1 1 53 53 SER N N 53 115.007 115.007 115.598 -0.591 19635 4618 1 10 . 1 1 53 53 SER HA H 53 4.358 4.358 3.982 0.376 19635 4619 1 10 . 1 1 53 53 SER C C 53 178.307 178.307 177.121 1.186 19635 4620 1 10 . 1 1 53 53 SER CA C 53 62.270 62.270 61.238 1.032 19635 4621 1 10 . 1 1 53 53 SER CB C 53 62.340 62.340 62.977 -0.637 19635 4622 1 10 . 1 1 53 53 SER H H 53 8.385 8.385 7.677 0.708 19635 4623 1 10 . 1 1 54 54 GLN N N 54 122.316 122.316 120.808 1.508 19635 4624 1 10 . 1 1 54 54 GLN HA H 54 4.219 4.219 3.962 0.257 19635 4625 1 10 . 1 1 54 54 GLN C C 54 179.361 179.361 178.644 0.717 19635 4626 1 10 . 1 1 54 54 GLN CA C 54 58.618 58.618 58.593 0.025 19635 4627 1 10 . 1 1 54 54 GLN CB C 54 29.942 29.942 28.705 1.237 19635 4628 1 10 . 1 1 54 54 GLN H H 54 8.478 8.478 8.813 -0.335 19635 4629 1 10 . 1 1 55 55 LEU N N 55 122.348 122.348 119.933 2.415 19635 4630 1 10 . 1 1 55 55 LEU HA H 55 4.209 4.209 3.937 0.272 19635 4631 1 10 . 1 1 55 55 LEU C C 55 178.989 178.989 179.099 -0.110 19635 4632 1 10 . 1 1 55 55 LEU CA C 55 57.972 57.972 57.967 0.005 19635 4633 1 10 . 1 1 55 55 LEU CB C 55 41.910 41.910 41.893 0.017 19635 4634 1 10 . 1 1 55 55 LEU H H 55 8.354 8.354 8.328 0.026 19635 4635 1 10 . 1 1 56 56 HIS N N 56 119.481 119.481 114.857 4.624 19635 4636 1 10 . 1 1 56 56 HIS HA H 56 4.358 4.358 4.494 -0.136 19635 4637 1 10 . 1 1 56 56 HIS C C 56 179.671 179.671 177.033 2.638 19635 4638 1 10 . 1 1 56 56 HIS CA C 56 60.757 60.757 58.060 2.697 19635 4639 1 10 . 1 1 56 56 HIS CB C 56 30.670 30.670 28.928 1.742 19635 4640 1 10 . 1 1 56 56 HIS H H 56 8.592 8.592 8.045 0.547 19635 4641 1 10 . 1 1 57 57 ALA N N 57 122.582 122.582 121.937 0.645 19635 4642 1 10 . 1 1 57 57 ALA HA H 57 4.289 4.289 3.954 0.335 19635 4643 1 10 . 1 1 57 57 ALA C C 57 179.919 179.919 179.128 0.791 19635 4644 1 10 . 1 1 57 57 ALA CA C 57 54.877 54.877 54.782 0.095 19635 4645 1 10 . 1 1 57 57 ALA CB C 57 17.716 17.716 17.728 -0.012 19635 4646 1 10 . 1 1 57 57 ALA H H 57 8.091 8.091 7.709 0.382 19635 4647 1 10 . 1 1 58 58 ALA N N 58 122.641 122.641 121.100 1.541 19635 4648 1 10 . 1 1 58 58 ALA HA H 58 3.812 3.812 3.917 -0.105 19635 4649 1 10 . 1 1 58 58 ALA C C 58 178.570 178.570 178.726 -0.156 19635 4650 1 10 . 1 1 58 58 ALA CA C 58 55.149 55.149 55.165 -0.016 19635 4651 1 10 . 1 1 58 58 ALA CB C 58 17.677 17.677 18.240 -0.563 19635 4652 1 10 . 1 1 58 58 ALA H H 58 7.835 7.835 7.572 0.263 19635 4653 1 10 . 1 1 59 59 ALA N N 59 117.349 117.349 120.252 -2.903 19635 4654 1 10 . 1 1 59 59 ALA HA H 59 3.802 3.802 4.104 -0.302 19635 4655 1 10 . 1 1 59 59 ALA C C 59 179.360 179.360 179.351 0.009 19635 4656 1 10 . 1 1 59 59 ALA CA C 59 55.149 55.149 54.309 0.840 19635 4657 1 10 . 1 1 59 59 ALA CB C 59 17.509 17.509 18.083 -0.574 19635 4658 1 10 . 1 1 59 59 ALA H H 59 7.390 7.390 7.953 -0.563 19635 4659 1 10 . 1 1 60 60 ALA N N 60 119.393 119.393 121.897 -2.504 19635 4660 1 10 . 1 1 60 60 ALA HA H 60 4.279 4.279 4.066 0.213 19635 4661 1 10 . 1 1 60 60 ALA C C 60 179.315 179.315 179.605 -0.290 19635 4662 1 10 . 1 1 60 60 ALA CA C 60 54.644 54.644 54.939 -0.295 19635 4663 1 10 . 1 1 60 60 ALA CB C 60 17.625 17.625 18.410 -0.785 19635 4664 1 10 . 1 1 60 60 ALA H H 60 7.944 7.944 7.805 0.139 19635 4665 1 10 . 1 1 61 61 ARG N N 61 116.621 116.621 118.660 -2.039 19635 4666 1 10 . 1 1 61 61 ARG HA H 61 4.229 4.229 4.009 0.220 19635 4667 1 10 . 1 1 61 61 ARG C C 61 180.214 180.214 178.940 1.274 19635 4668 1 10 . 1 1 61 61 ARG CA C 61 59.519 59.519 59.691 -0.172 19635 4669 1 10 . 1 1 61 61 ARG CB C 61 31.216 31.216 30.082 1.134 19635 4670 1 10 . 1 1 61 61 ARG H H 61 7.739 7.739 7.827 -0.088 19635 4671 1 10 . 1 1 62 62 ILE N N 62 117.642 117.642 118.298 -0.656 19635 4672 1 10 . 1 1 62 62 ILE HA H 62 3.742 3.742 4.023 -0.281 19635 4673 1 10 . 1 1 62 62 ILE C C 62 178.214 178.214 177.950 0.264 19635 4674 1 10 . 1 1 62 62 ILE CA C 62 63.705 63.705 63.983 -0.278 19635 4675 1 10 . 1 1 62 62 ILE CB C 62 36.221 36.221 37.641 -1.419 19635 4676 1 10 . 1 1 62 62 ILE H H 62 7.315 7.315 7.231 0.083 19635 4677 1 10 . 1 1 63 63 GLY N N 63 107.326 107.326 108.964 -1.638 19635 4678 1 10 . 1 1 63 63 GLY C C 63 176.152 176.152 175.750 0.402 19635 4679 1 10 . 1 1 63 63 GLY CA C 63 47.975 47.975 47.620 0.355 19635 4680 1 10 . 1 1 63 63 GLY H H 63 7.862 7.862 8.547 -0.685 19635 4681 1 10 . 1 1 64 64 ASP N N 64 121.729 121.729 122.518 -0.789 19635 4682 1 10 . 1 1 64 64 ASP HA H 64 4.447 4.447 4.472 -0.025 19635 4683 1 10 . 1 1 64 64 ASP C C 64 178.338 178.338 177.774 0.564 19635 4684 1 10 . 1 1 64 64 ASP CA C 64 57.516 57.516 57.266 0.250 19635 4685 1 10 . 1 1 64 64 ASP CB C 64 40.135 40.135 40.955 -0.820 19635 4686 1 10 . 1 1 64 64 ASP H H 64 8.899 8.899 8.486 0.413 19635 4687 1 10 . 1 1 65 65 PHE N N 65 122.347 122.347 121.695 0.652 19635 4688 1 10 . 1 1 65 65 PHE HA H 65 4.259 4.259 4.064 0.195 19635 4689 1 10 . 1 1 65 65 PHE C C 65 176.989 176.989 177.188 -0.199 19635 4690 1 10 . 1 1 65 65 PHE CA C 65 61.357 61.357 61.608 -0.251 19635 4691 1 10 . 1 1 65 65 PHE CB C 65 39.589 39.589 39.072 0.517 19635 4692 1 10 . 1 1 65 65 PHE H H 65 7.662 7.662 7.782 -0.120 19635 4693 1 10 . 1 1 66 66 TYR N N 66 117.664 117.664 117.516 0.148 19635 4694 1 10 . 1 1 66 66 TYR HA H 66 3.752 3.752 4.212 -0.460 19635 4695 1 10 . 1 1 66 66 TYR C C 66 179.253 179.253 178.317 0.936 19635 4696 1 10 . 1 1 66 66 TYR CA C 66 63.822 63.822 62.556 1.266 19635 4697 1 10 . 1 1 66 66 TYR CB C 66 38.532 38.532 38.229 0.303 19635 4698 1 10 . 1 1 66 66 TYR H H 66 8.105 8.105 8.510 -0.405 19635 4699 1 10 . 1 1 67 67 GLN N N 67 117.372 117.372 118.313 -0.941 19635 4700 1 10 . 1 1 67 67 GLN HA H 67 3.752 3.752 4.116 -0.364 19635 4701 1 10 . 1 1 67 67 GLN C C 67 180.322 180.322 179.161 1.161 19635 4702 1 10 . 1 1 67 67 GLN CA C 67 59.714 59.714 59.032 0.682 19635 4703 1 10 . 1 1 67 67 GLN CB C 67 27.759 27.759 28.561 -0.802 19635 4704 1 10 . 1 1 67 67 GLN H H 67 8.263 8.263 7.881 0.382 19635 4705 1 10 . 1 1 68 68 GLU N N 68 122.805 122.805 118.889 3.916 19635 4706 1 10 . 1 1 68 68 GLU HA H 68 4.130 4.130 4.112 0.018 19635 4707 1 10 . 1 1 68 68 GLU C C 68 178.400 178.400 177.426 0.974 19635 4708 1 10 . 1 1 68 68 GLU CA C 68 56.062 56.062 58.252 -2.190 19635 4709 1 10 . 1 1 68 68 GLU CB C 68 41.955 41.955 29.281 12.674 19635 4710 1 10 . 1 1 68 68 GLU H H 68 8.525 8.525 7.998 0.527 19635 4711 1 10 . 1 1 69 69 LYS N N 69 116.254 116.254 117.148 -0.894 19635 4712 1 10 . 1 1 69 69 LYS HA H 69 4.223 4.223 4.207 0.016 19635 4713 1 10 . 1 1 69 69 LYS C C 69 176.090 176.090 176.493 -0.403 19635 4714 1 10 . 1 1 69 69 LYS CA C 69 54.692 54.692 55.241 -0.549 19635 4715 1 10 . 1 1 69 69 LYS CB C 69 31.685 31.685 32.072 -0.387 19635 4716 1 10 . 1 1 69 69 LYS H H 69 7.413 7.413 7.422 -0.009 19635 4717 1 10 . 1 1 70 70 GLY N N 70 105.876 105.876 106.379 -0.503 19635 4718 1 10 . 1 1 70 70 GLY C C 70 174.602 174.602 174.715 -0.113 19635 4719 1 10 . 1 1 70 70 GLY CA C 70 45.197 45.197 44.917 0.280 19635 4720 1 10 . 1 1 70 70 GLY H H 70 7.770 7.770 7.804 -0.034 19635 4721 1 10 . 1 1 71 71 TYR N N 71 124.341 124.341 121.957 2.384 19635 4722 1 10 . 1 1 71 71 TYR HA H 71 4.795 4.795 4.699 0.096 19635 4723 1 10 . 1 1 71 71 TYR C C 71 177.082 177.082 176.279 0.803 19635 4724 1 10 . 1 1 71 71 TYR CA C 71 57.431 57.431 56.986 0.445 19635 4725 1 10 . 1 1 71 71 TYR CB C 71 36.524 36.524 36.094 0.430 19635 4726 1 10 . 1 1 71 71 TYR H H 71 8.387 8.387 7.771 0.616 19635 4727 1 10 . 1 1 72 72 VAL N N 72 113.636 113.636 122.435 -8.799 19635 4728 1 10 . 1 1 72 72 VAL HA H 72 4.010 4.010 3.875 0.135 19635 4729 1 10 . 1 1 72 72 VAL C C 72 176.989 176.989 176.662 0.327 19635 4730 1 10 . 1 1 72 72 VAL CA C 72 64.251 64.251 64.627 -0.376 19635 4731 1 10 . 1 1 72 72 VAL CB C 72 31.440 31.440 31.920 -0.480 19635 4732 1 10 . 1 1 72 72 VAL H H 72 7.239 7.239 7.699 -0.460 19635 4733 1 10 . 1 1 73 73 LEU N N 73 120.170 120.170 118.420 1.750 19635 4734 1 10 . 1 1 73 73 LEU HA H 73 4.487 4.487 4.401 0.086 19635 4735 1 10 . 1 1 73 73 LEU C C 73 176.927 176.927 176.371 0.556 19635 4736 1 10 . 1 1 73 73 LEU CA C 73 54.474 54.474 54.799 -0.325 19635 4737 1 10 . 1 1 73 73 LEU CB C 73 41.819 41.819 42.269 -0.450 19635 4738 1 10 . 1 1 73 73 LEU H H 73 8.765 8.765 7.895 0.870 19635 4739 1 10 . 1 1 74 74 ALA N N 74 122.084 122.084 122.322 -0.238 19635 4740 1 10 . 1 1 74 74 ALA HA H 74 4.537 4.537 4.774 -0.237 19635 4741 1 10 . 1 1 74 74 ALA C C 74 177.516 177.516 176.457 1.059 19635 4742 1 10 . 1 1 74 74 ALA CA C 74 52.329 52.329 51.871 0.458 19635 4743 1 10 . 1 1 74 74 ALA CB C 74 21.065 21.065 20.104 0.961 19635 4744 1 10 . 1 1 74 74 ALA H H 74 7.322 7.322 7.307 0.015 19635 4745 1 10 . 1 1 75 75 ARG N N 75 118.061 118.061 122.269 -4.208 19635 4746 1 10 . 1 1 75 75 ARG HA H 75 4.606 4.606 4.655 -0.049 19635 4747 1 10 . 1 1 75 75 ARG C C 75 173.036 173.036 174.117 -1.081 19635 4748 1 10 . 1 1 75 75 ARG CA C 75 54.604 54.604 55.111 -0.507 19635 4749 1 10 . 1 1 75 75 ARG CB C 75 34.037 34.037 34.373 -0.336 19635 4750 1 10 . 1 1 75 75 ARG H H 75 8.521 8.521 8.864 -0.343 19635 4751 1 10 . 1 1 76 76 ALA N N 76 122.847 122.847 128.353 -5.506 19635 4752 1 10 . 1 1 76 76 ALA HA H 76 5.533 5.533 4.943 0.590 19635 4753 1 10 . 1 1 76 76 ALA C C 76 176.028 176.028 175.929 0.099 19635 4754 1 10 . 1 1 76 76 ALA CA C 76 50.219 50.219 50.749 -0.530 19635 4755 1 10 . 1 1 76 76 ALA CB C 76 22.464 22.464 20.393 2.071 19635 4756 1 10 . 1 1 76 76 ALA H H 76 8.553 8.553 8.686 -0.133 19635 4757 1 10 . 1 1 77 77 PHE N N 77 117.410 117.410 119.278 -1.868 19635 4758 1 10 . 1 1 77 77 PHE HA H 77 4.922 4.922 5.077 -0.155 19635 4759 1 10 . 1 1 77 77 PHE C C 77 172.091 172.091 173.278 -1.187 19635 4760 1 10 . 1 1 77 77 PHE CA C 77 55.697 55.697 55.888 -0.191 19635 4761 1 10 . 1 1 77 77 PHE CB C 77 41.637 41.637 42.080 -0.443 19635 4762 1 10 . 1 1 77 77 PHE H H 77 9.079 9.079 8.723 0.356 19635 4763 1 10 . 1 1 78 78 LEU N N 78 123.541 123.541 123.925 -0.384 19635 4764 1 10 . 1 1 78 78 LEU HA H 78 5.023 5.023 4.869 0.154 19635 4765 1 10 . 1 1 78 78 LEU C C 78 174.494 174.494 175.710 -1.216 19635 4766 1 10 . 1 1 78 78 LEU CA C 78 51.328 51.328 50.843 0.485 19635 4767 1 10 . 1 1 78 78 LEU CB C 78 42.774 42.774 44.729 -1.955 19635 4768 1 10 . 1 1 78 78 LEU H H 78 9.031 9.031 8.833 0.198 19635 4769 1 10 . 1 1 79 79 PRO HA H 79 4.661 4.661 4.616 0.045 19635 4770 1 10 . 1 1 79 79 PRO C C 79 176.239 176.239 176.006 0.233 19635 4771 1 10 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.531 -0.464 19635 4772 1 10 . 1 1 79 79 PRO CB C 79 32.672 32.672 30.249 2.423 19635 4773 1 10 . 1 1 80 80 ALA N N 80 124.122 124.122 126.810 -2.688 19635 4774 1 10 . 1 1 80 80 ALA HA H 80 4.379 4.379 4.266 0.113 19635 4775 1 10 . 1 1 80 80 ALA C C 80 177.807 177.807 177.295 0.512 19635 4776 1 10 . 1 1 80 80 ALA CA C 80 53.291 53.291 53.189 0.102 19635 4777 1 10 . 1 1 80 80 ALA CB C 80 17.692 17.692 19.237 -1.545 19635 4778 1 10 . 1 1 80 80 ALA H H 80 8.488 8.488 8.112 0.376 19635 4779 1 10 . 1 1 81 81 GLN N N 81 118.018 118.018 122.708 -4.690 19635 4780 1 10 . 1 1 81 81 GLN HA H 81 5.234 5.234 4.297 0.937 19635 4781 1 10 . 1 1 81 81 GLN C C 81 173.284 173.284 176.053 -2.769 19635 4782 1 10 . 1 1 81 81 GLN CA C 81 55.332 55.332 56.755 -1.423 19635 4783 1 10 . 1 1 81 81 GLN CB C 81 31.580 31.580 29.625 1.955 19635 4784 1 10 . 1 1 81 81 GLN H H 81 8.157 8.157 8.541 -0.384 19635 4785 1 10 . 1 1 83 83 ILE HA H 83 4.121 4.121 3.832 0.289 19635 4786 1 10 . 1 1 83 83 ILE C C 83 175.873 175.873 174.981 0.892 19635 4787 1 10 . 1 1 83 83 ILE CA C 83 62.249 62.249 61.835 0.414 19635 4788 1 10 . 1 1 83 83 ILE CB C 83 37.495 37.495 37.733 -0.238 19635 4789 1 10 . 1 1 84 84 GLN N N 84 126.522 126.522 124.975 1.547 19635 4790 1 10 . 1 1 84 84 GLN HA H 84 4.111 4.111 4.280 -0.169 19635 4791 1 10 . 1 1 84 84 GLN C C 84 176.028 176.028 175.741 0.287 19635 4792 1 10 . 1 1 84 84 GLN CA C 84 61.521 61.521 55.644 5.877 19635 4793 1 10 . 1 1 84 84 GLN CB C 84 37.464 37.464 28.681 8.783 19635 4794 1 10 . 1 1 84 84 GLN H H 84 8.679 8.679 8.650 0.029 19635 4795 1 10 . 1 1 85 85 ASP HA H 85 4.488 4.488 4.329 0.159 19635 4796 1 10 . 1 1 85 85 ASP C C 85 176.709 176.709 176.309 0.400 19635 4797 1 10 . 1 1 85 85 ASP CA C 85 54.513 54.513 55.065 -0.552 19635 4798 1 10 . 1 1 85 85 ASP CB C 85 40.643 40.643 40.045 0.598 19635 4799 1 10 . 1 1 86 86 GLY N N 86 104.397 104.397 111.759 -7.362 19635 4800 1 10 . 1 1 86 86 GLY C C 86 174.308 174.308 173.375 0.933 19635 4801 1 10 . 1 1 86 86 GLY CA C 86 46.323 46.323 44.978 1.345 19635 4802 1 10 . 1 1 86 86 GLY H H 86 8.310 8.310 8.125 0.185 19635 4803 1 10 . 1 1 87 87 THR N N 87 119.045 119.045 120.382 -1.337 19635 4804 1 10 . 1 1 87 87 THR HA H 87 4.670 4.670 5.198 -0.528 19635 4805 1 10 . 1 1 87 87 THR C C 87 172.943 172.943 172.994 -0.051 19635 4806 1 10 . 1 1 87 87 THR CA C 87 61.905 61.905 62.141 -0.236 19635 4807 1 10 . 1 1 87 87 THR CB C 87 68.779 68.779 71.058 -2.279 19635 4808 1 10 . 1 1 87 87 THR H H 87 7.877 7.877 7.685 0.192 19635 4809 1 10 . 1 1 88 88 VAL N N 88 127.859 127.859 121.899 5.960 19635 4810 1 10 . 1 1 88 88 VAL HA H 88 4.110 4.110 4.410 -0.300 19635 4811 1 10 . 1 1 88 88 VAL C C 88 174.463 174.463 174.388 0.075 19635 4812 1 10 . 1 1 88 88 VAL CA C 88 61.157 61.157 59.929 1.228 19635 4813 1 10 . 1 1 88 88 VAL CB C 88 33.237 33.237 33.197 0.040 19635 4814 1 10 . 1 1 88 88 VAL H H 88 8.241 8.241 7.918 0.323 19635 4815 1 10 . 1 1 89 89 ARG N N 89 129.825 129.825 127.909 1.916 19635 4816 1 10 . 1 1 89 89 ARG HA H 89 5.234 5.234 5.282 -0.048 19635 4817 1 10 . 1 1 89 89 ARG C C 89 175.470 175.470 175.753 -0.283 19635 4818 1 10 . 1 1 89 89 ARG CA C 89 55.357 55.357 54.934 0.423 19635 4819 1 10 . 1 1 89 89 ARG CB C 89 31.594 31.594 31.692 -0.098 19635 4820 1 10 . 1 1 89 89 ARG H H 89 9.541 9.541 8.618 0.923 19635 4821 1 10 . 1 1 90 90 ILE N N 90 123.428 123.428 127.815 -4.387 19635 4822 1 10 . 1 1 90 90 ILE HA H 90 4.299 4.299 4.208 0.091 19635 4823 1 10 . 1 1 90 90 ILE C C 90 174.106 174.106 174.550 -0.444 19635 4824 1 10 . 1 1 90 90 ILE CA C 90 60.444 60.444 60.698 -0.254 19635 4825 1 10 . 1 1 90 90 ILE CB C 90 41.390 41.390 39.993 1.397 19635 4826 1 10 . 1 1 90 90 ILE H H 90 8.641 8.641 9.257 -0.616 19635 4827 1 10 . 1 1 91 91 GLU N N 91 126.760 126.760 127.514 -0.754 19635 4828 1 10 . 1 1 91 91 GLU HA H 91 4.903 4.903 4.806 0.097 19635 4829 1 10 . 1 1 91 91 GLU C C 91 174.246 174.246 175.689 -1.443 19635 4830 1 10 . 1 1 91 91 GLU CA C 91 54.422 54.422 54.830 -0.408 19635 4831 1 10 . 1 1 91 91 GLU CB C 91 32.035 32.035 30.362 1.673 19635 4832 1 10 . 1 1 91 91 GLU H H 91 8.388 8.388 8.744 -0.356 19635 4833 1 10 . 1 1 92 92 VAL N N 92 122.222 122.222 125.818 -3.596 19635 4834 1 10 . 1 1 92 92 VAL HA H 92 4.385 4.385 3.886 0.499 19635 4835 1 10 . 1 1 92 92 VAL C C 92 174.835 174.835 174.822 0.013 19635 4836 1 10 . 1 1 92 92 VAL CA C 92 61.066 61.066 61.828 -0.762 19635 4837 1 10 . 1 1 92 92 VAL CB C 92 33.946 33.946 31.995 1.951 19635 4838 1 10 . 1 1 92 92 VAL H H 92 8.790 8.790 8.924 -0.134 19635 4839 1 10 . 1 1 93 93 LEU N N 93 128.617 128.617 130.782 -2.165 19635 4840 1 10 . 1 1 93 93 LEU HA H 93 4.812 4.812 4.635 0.177 19635 4841 1 10 . 1 1 93 93 LEU C C 93 176.540 176.540 176.104 0.436 19635 4842 1 10 . 1 1 93 93 LEU CA C 93 53.148 53.148 53.764 -0.616 19635 4843 1 10 . 1 1 93 93 LEU CB C 93 43.229 43.229 41.577 1.652 19635 4844 1 10 . 1 1 93 93 LEU H H 93 8.980 8.980 8.707 0.273 19635 4845 1 10 . 1 1 94 94 GLU N N 94 123.476 123.476 124.785 -1.309 19635 4846 1 10 . 1 1 94 94 GLU HA H 94 3.821 3.821 4.196 -0.375 19635 4847 1 10 . 1 1 94 94 GLU C C 94 175.408 175.408 175.848 -0.440 19635 4848 1 10 . 1 1 94 94 GLU CA C 94 57.797 57.797 57.301 0.496 19635 4849 1 10 . 1 1 94 94 GLU CB C 94 29.676 29.676 30.197 -0.521 19635 4850 1 10 . 1 1 94 94 GLU H H 94 8.930 8.930 8.132 0.798 19635 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 78 2.738 0.751 2.649 19635 2 1 1 "Average Difference" HA 93 0.332 -0.030 0.333 19635 3 1 1 "Average Difference" C 85 0.892 -0.109 0.890 19635 4 1 1 "Average Difference" CA 86 1.072 -0.165 1.065 19635 5 1 1 "Average Difference" CB 79 2.191 -0.470 2.153 19635 6 1 1 "Average Difference" HN 78 0.499 -0.058 0.499 19635 7 1 2 "Average Difference" N 78 2.826 0.870 2.707 19635 8 1 2 "Average Difference" HA 93 0.324 -0.035 0.324 19635 9 1 2 "Average Difference" C 85 0.916 -0.049 0.920 19635 10 1 2 "Average Difference" CA 86 1.128 -0.186 1.119 19635 11 1 2 "Average Difference" CB 79 2.091 -0.283 2.085 19635 12 1 2 "Average Difference" HN 78 0.486 -0.009 0.489 19635 13 1 3 "Average Difference" N 78 2.578 1.056 2.367 19635 14 1 3 "Average Difference" HA 93 0.324 -0.059 0.320 19635 15 1 3 "Average Difference" C 85 0.926 0.028 0.931 19635 16 1 3 "Average Difference" CA 86 1.147 -0.114 1.148 19635 17 1 3 "Average Difference" CB 79 2.104 -0.555 2.042 19635 18 1 3 "Average Difference" HN 78 0.477 -0.036 0.479 19635 19 1 4 "Average Difference" N 78 2.860 1.075 2.667 19635 20 1 4 "Average Difference" HA 93 0.325 -0.049 0.323 19635 21 1 4 "Average Difference" C 85 0.879 -0.016 0.884 19635 22 1 4 "Average Difference" CA 86 1.048 -0.135 1.045 19635 23 1 4 "Average Difference" CB 79 2.160 -0.573 2.096 19635 24 1 4 "Average Difference" HN 78 0.506 -0.061 0.505 19635 25 1 5 "Average Difference" N 78 2.857 0.725 2.782 19635 26 1 5 "Average Difference" HA 93 0.343 -0.048 0.341 19635 27 1 5 "Average Difference" C 85 0.944 -0.074 0.947 19635 28 1 5 "Average Difference" CA 86 1.185 -0.080 1.189 19635 29 1 5 "Average Difference" CB 79 2.048 -0.477 2.005 19635 30 1 5 "Average Difference" HN 78 0.477 -0.106 0.468 19635 31 1 6 "Average Difference" N 78 2.918 1.022 2.751 19635 32 1 6 "Average Difference" HA 93 0.317 -0.061 0.312 19635 33 1 6 "Average Difference" C 85 0.930 -0.077 0.933 19635 34 1 6 "Average Difference" CA 86 1.100 -0.106 1.101 19635 35 1 6 "Average Difference" CB 79 2.167 -0.521 2.116 19635 36 1 6 "Average Difference" HN 78 0.480 -0.049 0.480 19635 37 1 7 "Average Difference" N 78 2.822 0.989 2.660 19635 38 1 7 "Average Difference" HA 93 0.326 -0.044 0.325 19635 39 1 7 "Average Difference" C 85 0.891 -0.057 0.894 19635 40 1 7 "Average Difference" CA 86 1.101 -0.162 1.095 19635 41 1 7 "Average Difference" CB 79 2.146 -0.487 2.104 19635 42 1 7 "Average Difference" HN 78 0.489 -0.045 0.490 19635 43 1 8 "Average Difference" N 78 2.926 0.846 2.819 19635 44 1 8 "Average Difference" HA 93 0.337 -0.079 0.329 19635 45 1 8 "Average Difference" C 85 0.963 -0.089 0.964 19635 46 1 8 "Average Difference" CA 86 1.097 -0.120 1.097 19635 47 1 8 "Average Difference" CB 79 2.118 -0.490 2.074 19635 48 1 8 "Average Difference" HN 78 0.497 -0.043 0.499 19635 49 1 9 "Average Difference" N 78 2.545 0.797 2.433 19635 50 1 9 "Average Difference" HA 93 0.327 -0.030 0.327 19635 51 1 9 "Average Difference" C 85 0.810 -0.061 0.813 19635 52 1 9 "Average Difference" CA 86 1.174 -0.146 1.172 19635 53 1 9 "Average Difference" CB 79 2.110 -0.432 2.079 19635 54 1 9 "Average Difference" HN 78 0.472 -0.045 0.473 19635 55 1 10 "Average Difference" N 78 2.822 1.105 2.614 19635 56 1 10 "Average Difference" HA 93 0.334 -0.080 0.326 19635 57 1 10 "Average Difference" C 85 0.882 -0.114 0.880 19635 58 1 10 "Average Difference" CA 86 1.016 -0.177 1.006 19635 59 1 10 "Average Difference" CB 79 2.146 -0.540 2.090 19635 60 1 10 "Average Difference" HN 78 0.472 -0.064 0.471 19635 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 19635 _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 8 8 HIS HA H 8 4.637 4.637 4.596 0.041 19635 2 1 . 1 1 8 8 HIS C C 8 174.897 174.897 174.220 0.678 19635 3 1 . 1 1 8 8 HIS CA C 8 56.534 56.534 55.774 0.760 19635 4 1 . 1 1 8 8 HIS CB C 8 31.030 31.030 29.886 1.144 19635 5 1 . 1 1 9 9 VAL N N 9 121.834 121.834 122.399 -0.565 19635 6 1 . 1 1 9 9 VAL HA H 9 4.111 4.111 4.034 0.077 19635 7 1 . 1 1 9 9 VAL C C 9 175.486 175.486 175.061 0.425 19635 8 1 . 1 1 9 9 VAL CA C 9 62.115 62.115 62.447 -0.332 19635 9 1 . 1 1 9 9 VAL CB C 9 33.036 33.036 32.577 0.459 19635 10 1 . 1 1 9 9 VAL H H 9 7.998 7.998 8.141 -0.143 19635 11 1 . 1 1 10 10 ASP HA H 10 4.583 4.583 4.706 -0.124 19635 12 1 . 1 1 10 10 ASP CA C 10 54.510 54.510 53.909 0.601 19635 13 1 . 1 1 10 10 ASP CB C 10 41.545 41.545 42.328 -0.783 19635 14 1 . 1 1 11 11 ASP HA H 11 4.583 4.583 4.570 0.013 19635 15 1 . 1 1 11 11 ASP C C 11 176.012 176.012 175.648 0.364 19635 16 1 . 1 1 11 11 ASP CA C 11 54.692 54.692 54.440 0.252 19635 17 1 . 1 1 11 11 ASP CB C 11 41.545 41.545 41.248 0.297 19635 18 1 . 1 1 12 12 ASP N N 12 120.751 120.751 120.511 0.240 19635 19 1 . 1 1 12 12 ASP HA H 12 4.581 4.581 4.552 0.029 19635 20 1 . 1 1 12 12 ASP C C 12 176.385 176.385 175.720 0.665 19635 21 1 . 1 1 12 12 ASP CA C 12 54.695 54.695 54.684 0.011 19635 22 1 . 1 1 12 12 ASP CB C 12 41.363 41.363 41.905 -0.542 19635 23 1 . 1 1 12 12 ASP H H 12 8.249 8.249 8.115 0.134 19635 24 1 . 1 1 13 13 ASP N N 13 120.536 120.536 120.204 0.332 19635 25 1 . 1 1 13 13 ASP HA H 13 4.576 4.576 4.457 0.119 19635 26 1 . 1 1 13 13 ASP C C 13 176.818 176.818 175.327 1.491 19635 27 1 . 1 1 13 13 ASP CA C 13 54.877 54.877 54.947 -0.070 19635 28 1 . 1 1 13 13 ASP CB C 13 41.318 41.318 41.227 0.091 19635 29 1 . 1 1 13 13 ASP H H 13 8.291 8.291 8.323 -0.032 19635 30 1 . 1 1 14 14 LYS N N 14 120.496 120.496 122.618 -2.122 19635 31 1 . 1 1 14 14 LYS HA H 14 4.303 4.303 4.398 -0.095 19635 32 1 . 1 1 14 14 LYS C C 14 177.190 177.190 175.329 1.861 19635 33 1 . 1 1 14 14 LYS CA C 14 56.788 56.788 56.119 0.669 19635 34 1 . 1 1 14 14 LYS CB C 14 32.399 32.399 32.348 0.051 19635 35 1 . 1 1 14 14 LYS H H 14 8.181 8.181 8.397 -0.216 19635 36 1 . 1 1 15 15 MET N N 15 119.518 119.518 121.711 -2.193 19635 37 1 . 1 1 15 15 MET HA H 15 4.546 4.546 4.531 0.014 19635 38 1 . 1 1 15 15 MET C C 15 176.881 176.881 176.710 0.171 19635 39 1 . 1 1 15 15 MET CA C 15 55.696 55.696 55.751 -0.055 19635 40 1 . 1 1 15 15 MET CB C 15 32.490 32.490 33.516 -1.025 19635 41 1 . 1 1 15 15 MET H H 15 8.276 8.276 8.386 -0.110 19635 42 1 . 1 1 16 16 GLY N N 16 109.506 109.506 109.604 -0.098 19635 43 1 . 1 1 16 16 GLY C C 16 174.432 174.432 174.059 0.373 19635 44 1 . 1 1 16 16 GLY CA C 16 45.498 45.498 44.866 0.632 19635 45 1 . 1 1 16 16 GLY H H 16 8.373 8.373 8.535 -0.162 19635 46 1 . 1 1 17 17 GLY N N 17 108.711 108.711 107.664 1.047 19635 47 1 . 1 1 17 17 GLY C C 17 171.409 171.409 171.844 -0.435 19635 48 1 . 1 1 17 17 GLY CA C 17 44.685 44.685 44.092 0.593 19635 49 1 . 1 1 17 17 GLY H H 17 8.116 8.116 7.675 0.441 19635 50 1 . 1 1 18 18 PRO HA H 18 4.744 4.744 4.429 0.315 19635 51 1 . 1 1 18 18 PRO C C 18 176.462 176.462 176.751 -0.289 19635 52 1 . 1 1 18 18 PRO CA C 18 62.795 62.795 62.856 -0.061 19635 53 1 . 1 1 18 18 PRO CB C 18 35.220 35.220 32.246 2.974 19635 54 1 . 1 1 19 19 THR N N 19 111.524 111.524 113.148 -1.624 19635 55 1 . 1 1 19 19 THR HA H 19 4.744 4.744 4.497 0.247 19635 56 1 . 1 1 19 19 THR C C 19 173.827 173.827 174.309 -0.482 19635 57 1 . 1 1 19 19 THR CA C 19 59.988 59.988 61.112 -1.124 19635 58 1 . 1 1 19 19 THR CB C 19 71.622 71.622 70.095 1.527 19635 59 1 . 1 1 19 19 THR H H 19 8.229 8.229 8.290 -0.061 19635 60 1 . 1 1 20 20 VAL N N 20 119.259 119.259 124.499 -5.240 19635 61 1 . 1 1 20 20 VAL HA H 20 4.378 4.378 4.241 0.137 19635 62 1 . 1 1 20 20 VAL C C 20 173.718 173.718 174.636 -0.918 19635 63 1 . 1 1 20 20 VAL CA C 20 59.714 59.714 60.872 -1.158 19635 64 1 . 1 1 20 20 VAL CB C 20 35.482 35.482 33.866 1.616 19635 65 1 . 1 1 20 20 VAL H H 20 8.740 8.740 9.025 -0.285 19635 66 1 . 1 1 21 21 LEU N N 21 127.557 127.557 130.491 -2.934 19635 67 1 . 1 1 21 21 LEU HA H 21 4.427 4.427 4.542 -0.115 19635 68 1 . 1 1 21 21 LEU C C 21 175.362 175.362 175.763 -0.401 19635 69 1 . 1 1 21 21 LEU CA C 21 54.604 54.604 54.795 -0.192 19635 70 1 . 1 1 21 21 LEU CB C 21 40.720 40.720 41.892 -1.172 19635 71 1 . 1 1 21 21 LEU H H 21 8.229 8.229 8.701 -0.473 19635 72 1 . 1 1 22 22 VAL N N 22 128.501 128.501 127.593 0.908 19635 73 1 . 1 1 22 22 VAL HA H 22 3.648 3.648 3.978 -0.330 19635 74 1 . 1 1 22 22 VAL C C 22 175.346 175.346 175.708 -0.362 19635 75 1 . 1 1 22 22 VAL CA C 22 63.146 63.146 62.837 0.309 19635 76 1 . 1 1 22 22 VAL CB C 22 32.151 32.151 31.338 0.813 19635 77 1 . 1 1 22 22 VAL H H 22 8.132 8.132 8.276 -0.144 19635 78 1 . 1 1 23 23 LYS N N 23 127.302 127.302 129.015 -1.713 19635 79 1 . 1 1 23 23 LYS HA H 23 4.420 4.420 4.459 -0.039 19635 80 1 . 1 1 23 23 LYS C C 23 176.385 176.385 176.111 0.274 19635 81 1 . 1 1 23 23 LYS CA C 23 56.975 56.975 57.094 -0.119 19635 82 1 . 1 1 23 23 LYS CB C 23 34.150 34.150 33.928 0.222 19635 83 1 . 1 1 23 23 LYS H H 23 9.694 9.694 9.002 0.693 19635 84 1 . 1 1 24 24 ARG N N 24 114.443 114.443 116.149 -1.706 19635 85 1 . 1 1 24 24 ARG HA H 24 4.468 4.468 4.601 -0.133 19635 86 1 . 1 1 24 24 ARG C C 24 172.401 172.401 173.703 -1.302 19635 87 1 . 1 1 24 24 ARG CA C 24 54.596 54.596 55.489 -0.893 19635 88 1 . 1 1 24 24 ARG CB C 24 32.125 32.125 32.396 -0.271 19635 89 1 . 1 1 24 24 ARG H H 24 7.735 7.735 7.729 0.006 19635 90 1 . 1 1 25 25 PHE N N 25 117.669 117.669 118.779 -1.110 19635 91 1 . 1 1 25 25 PHE HA H 25 5.561 5.561 5.401 0.161 19635 92 1 . 1 1 25 25 PHE C C 25 174.618 174.618 175.544 -0.926 19635 93 1 . 1 1 25 25 PHE CA C 25 56.333 56.333 56.726 -0.393 19635 94 1 . 1 1 25 25 PHE CB C 25 42.319 42.319 41.105 1.214 19635 95 1 . 1 1 25 25 PHE H H 25 8.550 8.550 8.616 -0.066 19635 96 1 . 1 1 26 26 GLN N N 26 121.215 121.215 122.427 -1.212 19635 97 1 . 1 1 26 26 GLN HA H 26 4.576 4.576 4.845 -0.269 19635 98 1 . 1 1 26 26 GLN C C 26 173.904 173.904 174.287 -0.383 19635 99 1 . 1 1 26 26 GLN CA C 26 54.695 54.695 54.388 0.307 19635 100 1 . 1 1 26 26 GLN CB C 26 32.077 32.077 32.271 -0.194 19635 101 1 . 1 1 26 26 GLN H H 26 8.926 8.926 9.270 -0.344 19635 102 1 . 1 1 27 27 LEU N N 27 126.971 126.971 127.849 -0.878 19635 103 1 . 1 1 27 27 LEU HA H 27 5.285 5.285 5.364 -0.080 19635 104 1 . 1 1 27 27 LEU C C 27 177.098 177.098 176.531 0.567 19635 105 1 . 1 1 27 27 LEU CA C 27 53.512 53.512 53.412 0.100 19635 106 1 . 1 1 27 27 LEU CB C 27 44.048 44.048 43.212 0.836 19635 107 1 . 1 1 27 27 LEU H H 27 8.906 8.906 9.213 -0.307 19635 108 1 . 1 1 28 28 SER N N 28 114.562 114.562 117.019 -2.457 19635 109 1 . 1 1 28 28 SER HA H 28 4.866 4.866 4.727 0.139 19635 110 1 . 1 1 28 28 SER C C 28 173.811 173.811 174.502 -0.691 19635 111 1 . 1 1 28 28 SER CA C 28 57.249 57.249 56.885 0.364 19635 112 1 . 1 1 28 28 SER CB C 28 65.161 65.161 64.771 0.390 19635 113 1 . 1 1 28 28 SER H H 28 8.114 8.114 8.891 -0.777 19635 114 1 . 1 1 29 29 GLY N N 29 112.273 112.273 113.407 -1.134 19635 115 1 . 1 1 29 29 GLY C C 29 173.548 173.548 173.245 0.303 19635 116 1 . 1 1 29 29 GLY CA C 29 45.235 45.235 45.361 -0.126 19635 117 1 . 1 1 29 29 GLY H H 29 8.714 8.714 8.853 -0.139 19635 118 1 . 1 1 30 30 ASN N N 30 114.106 114.106 118.068 -3.962 19635 119 1 . 1 1 30 30 ASN HA H 30 4.536 4.536 4.710 -0.174 19635 120 1 . 1 1 30 30 ASN C C 30 174.804 174.804 174.724 0.080 19635 121 1 . 1 1 30 30 ASN CA C 30 53.876 53.876 52.807 1.069 19635 122 1 . 1 1 30 30 ASN CB C 30 37.495 37.495 37.856 -0.361 19635 123 1 . 1 1 30 30 ASN H H 30 9.436 9.436 8.040 1.396 19635 124 1 . 1 1 31 31 ARG N N 31 124.382 124.382 123.895 0.487 19635 125 1 . 1 1 31 31 ARG HA H 31 4.408 4.408 4.507 -0.099 19635 126 1 . 1 1 31 31 ARG C C 31 177.656 177.656 177.292 0.363 19635 127 1 . 1 1 31 31 ARG CA C 31 57.066 57.066 56.815 0.251 19635 128 1 . 1 1 31 31 ARG CB C 31 32.689 32.689 31.393 1.296 19635 129 1 . 1 1 31 31 ARG H H 31 9.427 9.427 9.510 -0.083 19635 130 1 . 1 1 32 32 GLN N N 32 122.307 122.307 118.747 3.560 19635 131 1 . 1 1 32 32 GLN HA H 32 3.804 3.804 3.952 -0.148 19635 132 1 . 1 1 32 32 GLN C C 32 175.005 175.005 175.878 -0.873 19635 133 1 . 1 1 32 32 GLN CA C 32 57.243 57.243 57.442 -0.199 19635 134 1 . 1 1 32 32 GLN CB C 32 28.850 28.850 29.045 -0.195 19635 135 1 . 1 1 32 32 GLN H H 32 10.333 10.333 9.011 1.322 19635 136 1 . 1 1 33 33 PHE N N 33 110.633 110.633 117.501 -6.868 19635 137 1 . 1 1 33 33 PHE HA H 33 4.815 4.815 4.639 0.176 19635 138 1 . 1 1 33 33 PHE C C 33 174.215 174.215 174.523 -0.308 19635 139 1 . 1 1 33 33 PHE CA C 33 55.514 55.514 56.628 -1.114 19635 140 1 . 1 1 33 33 PHE CB C 33 43.006 43.006 41.714 1.292 19635 141 1 . 1 1 33 33 PHE H H 33 6.698 6.698 7.561 -0.863 19635 142 1 . 1 1 34 34 ASP N N 34 120.588 120.588 120.642 -0.054 19635 143 1 . 1 1 34 34 ASP HA H 34 4.547 4.547 4.642 -0.095 19635 144 1 . 1 1 34 34 ASP C C 34 175.253 175.253 176.681 -1.428 19635 145 1 . 1 1 34 34 ASP CA C 34 52.684 52.684 53.103 -0.419 19635 146 1 . 1 1 34 34 ASP CB C 34 42.276 42.276 42.741 -0.466 19635 147 1 . 1 1 34 34 ASP H H 34 8.477 8.477 8.426 0.051 19635 148 1 . 1 1 35 35 ASP N N 35 118.353 118.353 120.609 -2.256 19635 149 1 . 1 1 35 35 ASP HA H 35 4.022 4.022 4.242 -0.220 19635 150 1 . 1 1 35 35 ASP C C 35 177.826 177.826 178.333 -0.507 19635 151 1 . 1 1 35 35 ASP CA C 35 57.607 57.607 58.877 -1.270 19635 152 1 . 1 1 35 35 ASP CB C 35 39.771 39.771 40.859 -1.087 19635 153 1 . 1 1 35 35 ASP H H 35 8.507 8.507 8.780 -0.273 19635 154 1 . 1 1 36 36 ARG N N 36 117.028 117.028 118.997 -1.969 19635 155 1 . 1 1 36 36 ARG HA H 36 3.873 3.873 3.940 -0.067 19635 156 1 . 1 1 36 36 ARG C C 36 179.206 179.206 178.492 0.714 19635 157 1 . 1 1 36 36 ARG CA C 36 59.610 59.610 59.113 0.497 19635 158 1 . 1 1 36 36 ARG CB C 36 29.422 29.422 30.191 -0.769 19635 159 1 . 1 1 36 36 ARG H H 36 8.111 8.111 8.134 -0.023 19635 160 1 . 1 1 37 37 ARG N N 37 119.265 119.265 119.336 -0.071 19635 161 1 . 1 1 37 37 ARG HA H 37 4.020 4.020 4.091 -0.071 19635 162 1 . 1 1 37 37 ARG C C 37 177.950 177.950 178.226 -0.276 19635 163 1 . 1 1 37 37 ARG CA C 37 57.698 57.698 58.328 -0.630 19635 164 1 . 1 1 37 37 ARG CB C 37 30.124 30.124 29.650 0.474 19635 165 1 . 1 1 37 37 ARG H H 37 7.826 7.826 7.929 -0.103 19635 166 1 . 1 1 38 38 LEU N N 38 115.462 115.462 118.589 -3.127 19635 167 1 . 1 1 38 38 LEU HA H 38 3.819 3.819 3.946 -0.128 19635 168 1 . 1 1 38 38 LEU C C 38 179.067 179.067 179.249 -0.182 19635 169 1 . 1 1 38 38 LEU CA C 38 56.333 56.333 56.114 0.219 19635 170 1 . 1 1 38 38 LEU CB C 38 42.046 42.046 41.462 0.584 19635 171 1 . 1 1 38 38 LEU H H 38 7.365 7.365 7.686 -0.321 19635 172 1 . 1 1 39 39 LEU N N 39 117.922 117.922 120.809 -2.887 19635 173 1 . 1 1 39 39 LEU HA H 39 3.823 3.823 3.870 -0.047 19635 174 1 . 1 1 39 39 LEU C C 39 181.051 181.051 178.814 2.237 19635 175 1 . 1 1 39 39 LEU CA C 39 57.607 57.607 57.640 -0.033 19635 176 1 . 1 1 39 39 LEU CB C 39 41.089 41.089 40.591 0.498 19635 177 1 . 1 1 39 39 LEU H H 39 9.081 9.081 8.564 0.517 19635 178 1 . 1 1 40 40 ALA N N 40 121.136 121.136 121.047 0.089 19635 179 1 . 1 1 40 40 ALA HA H 40 4.077 4.077 4.047 0.030 19635 180 1 . 1 1 40 40 ALA C C 40 180.059 180.059 179.655 0.404 19635 181 1 . 1 1 40 40 ALA CA C 40 54.514 54.514 54.408 0.107 19635 182 1 . 1 1 40 40 ALA CB C 40 17.716 17.716 18.158 -0.442 19635 183 1 . 1 1 40 40 ALA H H 40 7.266 7.266 7.665 -0.399 19635 184 1 . 1 1 41 41 LEU N N 41 115.253 115.253 118.294 -3.041 19635 185 1 . 1 1 41 41 LEU HA H 41 4.128 4.128 4.037 0.091 19635 186 1 . 1 1 41 41 LEU C C 41 177.966 177.966 177.181 0.785 19635 187 1 . 1 1 41 41 LEU CA C 41 55.971 55.971 57.164 -1.193 19635 188 1 . 1 1 41 41 LEU CB C 41 42.093 42.093 42.136 -0.043 19635 189 1 . 1 1 41 41 LEU H H 41 7.215 7.215 7.504 -0.289 19635 190 1 . 1 1 42 42 LEU N N 42 116.365 116.365 115.526 0.839 19635 191 1 . 1 1 42 42 LEU HA H 42 4.298 4.298 4.467 -0.169 19635 192 1 . 1 1 42 42 LEU C C 42 177.842 177.842 177.523 0.319 19635 193 1 . 1 1 42 42 LEU CA C 42 53.232 53.232 51.713 1.519 19635 194 1 . 1 1 42 42 LEU CB C 42 41.955 41.955 38.540 3.415 19635 195 1 . 1 1 42 42 LEU H H 42 7.392 7.392 7.719 -0.327 19635 196 1 . 1 1 43 43 HIS N N 43 117.222 117.222 119.591 -2.369 19635 197 1 . 1 1 43 43 HIS HA H 43 4.279 4.279 4.232 0.047 19635 198 1 . 1 1 43 43 HIS C C 43 174.494 174.494 175.371 -0.877 19635 199 1 . 1 1 43 43 HIS CA C 43 59.428 59.428 58.890 0.538 19635 200 1 . 1 1 43 43 HIS CB C 43 31.216 31.216 29.422 1.794 19635 201 1 . 1 1 43 43 HIS H H 43 7.012 7.012 7.556 -0.544 19635 202 1 . 1 1 44 44 ASP N N 44 116.296 116.296 116.747 -0.451 19635 203 1 . 1 1 44 44 ASP HA H 44 4.338 4.338 4.369 -0.031 19635 204 1 . 1 1 44 44 ASP C C 44 176.385 176.385 175.802 0.583 19635 205 1 . 1 1 44 44 ASP CA C 44 53.785 53.785 53.803 -0.018 19635 206 1 . 1 1 44 44 ASP CB C 44 38.989 38.989 40.406 -1.417 19635 207 1 . 1 1 44 44 ASP H H 44 9.235 9.235 7.905 1.330 19635 208 1 . 1 1 45 45 LEU N N 45 119.937 119.937 121.262 -1.325 19635 209 1 . 1 1 45 45 LEU HA H 45 4.212 4.212 4.669 -0.457 19635 210 1 . 1 1 45 45 LEU C C 45 173.563 173.563 175.446 -1.883 19635 211 1 . 1 1 45 45 LEU CA C 45 57.881 57.881 56.292 1.589 19635 212 1 . 1 1 45 45 LEU CB C 45 41.955 41.955 40.696 1.259 19635 213 1 . 1 1 45 45 LEU H H 45 7.866 7.866 8.028 -0.162 19635 214 1 . 1 1 46 46 PRO HA H 46 3.992 3.992 4.331 -0.339 19635 215 1 . 1 1 46 46 PRO C C 46 177.160 177.160 177.639 -0.479 19635 216 1 . 1 1 46 46 PRO CA C 46 65.036 65.036 63.139 1.897 19635 217 1 . 1 1 46 46 PRO CB C 46 29.032 29.032 32.561 -3.529 19635 218 1 . 1 1 47 47 GLY N N 47 111.431 111.431 109.193 2.238 19635 219 1 . 1 1 47 47 GLY C C 47 173.827 173.827 173.769 0.058 19635 220 1 . 1 1 47 47 GLY CA C 47 44.685 44.685 45.105 -0.420 19635 221 1 . 1 1 47 47 GLY H H 47 9.411 9.411 8.897 0.514 19635 222 1 . 1 1 48 48 GLN N N 48 117.897 117.897 118.782 -0.885 19635 223 1 . 1 1 48 48 GLN HA H 48 4.507 4.507 4.601 -0.094 19635 224 1 . 1 1 48 48 GLN C C 48 174.525 174.525 174.009 0.516 19635 225 1 . 1 1 48 48 GLN CA C 48 54.695 54.695 53.706 0.989 19635 226 1 . 1 1 48 48 GLN CB C 48 31.034 31.034 32.345 -1.311 19635 227 1 . 1 1 48 48 GLN H H 48 7.871 7.871 7.495 0.376 19635 228 1 . 1 1 49 49 GLU N N 49 120.443 120.443 121.414 -0.971 19635 229 1 . 1 1 49 49 GLU HA H 49 4.815 4.815 4.545 0.270 19635 230 1 . 1 1 49 49 GLU C C 49 175.672 175.672 175.554 0.118 19635 231 1 . 1 1 49 49 GLU CA C 49 55.423 55.423 55.790 -0.368 19635 232 1 . 1 1 49 49 GLU CB C 49 30.224 30.224 30.004 0.220 19635 233 1 . 1 1 49 49 GLU H H 49 8.369 8.369 8.620 -0.251 19635 234 1 . 1 1 50 50 LEU N N 50 125.608 125.608 125.919 -0.311 19635 235 1 . 1 1 50 50 LEU HA H 50 5.010 5.010 4.744 0.267 19635 236 1 . 1 1 50 50 LEU C C 50 176.338 176.338 176.960 -0.623 19635 237 1 . 1 1 50 50 LEU CA C 50 53.232 53.232 52.599 0.633 19635 238 1 . 1 1 50 50 LEU CB C 50 45.413 45.413 42.007 3.406 19635 239 1 . 1 1 50 50 LEU H H 50 8.663 8.663 8.284 0.379 19635 240 1 . 1 1 51 51 ASN N N 51 118.769 118.769 121.452 -2.683 19635 241 1 . 1 1 51 51 ASN HA H 51 5.183 5.183 4.928 0.255 19635 242 1 . 1 1 51 51 ASN C C 51 176.013 176.013 176.671 -0.658 19635 243 1 . 1 1 51 51 ASN CA C 51 50.600 50.600 52.069 -1.470 19635 244 1 . 1 1 51 51 ASN CB C 51 39.407 39.407 39.689 -0.281 19635 245 1 . 1 1 51 51 ASN H H 51 8.897 8.897 8.812 0.085 19635 246 1 . 1 1 52 52 LEU N N 52 118.818 118.818 120.194 -1.376 19635 247 1 . 1 1 52 52 LEU HA H 52 4.041 4.041 4.049 -0.008 19635 248 1 . 1 1 52 52 LEU C C 52 179.036 179.036 178.812 0.224 19635 249 1 . 1 1 52 52 LEU CA C 52 58.609 58.609 58.342 0.267 19635 250 1 . 1 1 52 52 LEU CB C 52 41.773 41.773 40.627 1.146 19635 251 1 . 1 1 52 52 LEU H H 52 8.585 8.585 8.451 0.134 19635 252 1 . 1 1 53 53 SER N N 53 115.007 115.007 114.388 0.619 19635 253 1 . 1 1 53 53 SER HA H 53 4.358 4.358 4.039 0.319 19635 254 1 . 1 1 53 53 SER C C 53 178.307 178.307 177.108 1.199 19635 255 1 . 1 1 53 53 SER CA C 53 62.270 62.270 61.756 0.514 19635 256 1 . 1 1 53 53 SER CB C 53 62.340 62.340 62.689 -0.349 19635 257 1 . 1 1 53 53 SER H H 53 8.385 8.385 8.305 0.080 19635 258 1 . 1 1 54 54 GLN N N 54 122.316 122.316 120.961 1.355 19635 259 1 . 1 1 54 54 GLN HA H 54 4.219 4.219 4.045 0.174 19635 260 1 . 1 1 54 54 GLN C C 54 179.361 179.361 178.589 0.772 19635 261 1 . 1 1 54 54 GLN CA C 54 58.618 58.618 58.517 0.101 19635 262 1 . 1 1 54 54 GLN CB C 54 29.942 29.942 28.722 1.220 19635 263 1 . 1 1 54 54 GLN H H 54 8.478 8.478 8.100 0.378 19635 264 1 . 1 1 55 55 LEU N N 55 122.348 122.348 120.478 1.870 19635 265 1 . 1 1 55 55 LEU HA H 55 4.209 4.209 3.965 0.244 19635 266 1 . 1 1 55 55 LEU C C 55 178.989 178.989 179.140 -0.151 19635 267 1 . 1 1 55 55 LEU CA C 55 57.972 57.972 58.172 -0.200 19635 268 1 . 1 1 55 55 LEU CB C 55 41.910 41.910 41.724 0.186 19635 269 1 . 1 1 55 55 LEU H H 55 8.354 8.354 8.193 0.161 19635 270 1 . 1 1 56 56 HIS N N 56 119.481 119.481 115.747 3.734 19635 271 1 . 1 1 56 56 HIS HA H 56 4.358 4.358 4.437 -0.079 19635 272 1 . 1 1 56 56 HIS C C 56 179.671 179.671 177.235 2.436 19635 273 1 . 1 1 56 56 HIS CA C 56 60.757 60.757 58.769 1.987 19635 274 1 . 1 1 56 56 HIS CB C 56 30.670 30.670 29.310 1.360 19635 275 1 . 1 1 56 56 HIS H H 56 8.592 8.592 8.251 0.341 19635 276 1 . 1 1 57 57 ALA N N 57 122.582 122.582 121.686 0.896 19635 277 1 . 1 1 57 57 ALA HA H 57 4.289 4.289 4.054 0.235 19635 278 1 . 1 1 57 57 ALA C C 57 179.919 179.919 179.153 0.766 19635 279 1 . 1 1 57 57 ALA CA C 57 54.877 54.877 54.726 0.151 19635 280 1 . 1 1 57 57 ALA CB C 57 17.716 17.716 17.893 -0.177 19635 281 1 . 1 1 57 57 ALA H H 57 8.091 8.091 7.827 0.264 19635 282 1 . 1 1 58 58 ALA N N 58 122.641 122.641 120.892 1.749 19635 283 1 . 1 1 58 58 ALA HA H 58 3.812 3.812 3.936 -0.124 19635 284 1 . 1 1 58 58 ALA C C 58 178.570 178.570 178.916 -0.346 19635 285 1 . 1 1 58 58 ALA CA C 58 55.149 55.149 54.931 0.218 19635 286 1 . 1 1 58 58 ALA CB C 58 17.677 17.677 18.432 -0.755 19635 287 1 . 1 1 58 58 ALA H H 58 7.835 7.835 7.707 0.128 19635 288 1 . 1 1 59 59 ALA N N 59 117.349 117.349 120.181 -2.832 19635 289 1 . 1 1 59 59 ALA HA H 59 3.802 3.802 4.100 -0.297 19635 290 1 . 1 1 59 59 ALA C C 59 179.360 179.360 179.344 0.017 19635 291 1 . 1 1 59 59 ALA CA C 59 55.149 55.149 54.589 0.560 19635 292 1 . 1 1 59 59 ALA CB C 59 17.509 17.509 18.257 -0.748 19635 293 1 . 1 1 59 59 ALA H H 59 7.390 7.390 7.626 -0.236 19635 294 1 . 1 1 60 60 ALA N N 60 119.393 119.393 121.332 -1.939 19635 295 1 . 1 1 60 60 ALA HA H 60 4.279 4.279 4.080 0.199 19635 296 1 . 1 1 60 60 ALA C C 60 179.315 179.315 179.582 -0.267 19635 297 1 . 1 1 60 60 ALA CA C 60 54.644 54.644 54.896 -0.252 19635 298 1 . 1 1 60 60 ALA CB C 60 17.625 17.625 18.433 -0.808 19635 299 1 . 1 1 60 60 ALA H H 60 7.944 7.944 7.748 0.196 19635 300 1 . 1 1 61 61 ARG N N 61 116.621 116.621 118.581 -1.959 19635 301 1 . 1 1 61 61 ARG HA H 61 4.229 4.229 4.036 0.193 19635 302 1 . 1 1 61 61 ARG C C 61 180.214 180.214 178.954 1.259 19635 303 1 . 1 1 61 61 ARG CA C 61 59.519 59.519 59.502 0.017 19635 304 1 . 1 1 61 61 ARG CB C 61 31.216 31.216 30.066 1.150 19635 305 1 . 1 1 61 61 ARG H H 61 7.739 7.739 7.704 0.035 19635 306 1 . 1 1 62 62 ILE N N 62 117.642 117.642 118.685 -1.043 19635 307 1 . 1 1 62 62 ILE HA H 62 3.742 3.742 3.986 -0.244 19635 308 1 . 1 1 62 62 ILE C C 62 178.214 178.214 177.908 0.306 19635 309 1 . 1 1 62 62 ILE CA C 62 63.705 63.705 64.099 -0.394 19635 310 1 . 1 1 62 62 ILE CB C 62 36.221 36.221 37.653 -1.432 19635 311 1 . 1 1 62 62 ILE H H 62 7.315 7.315 7.278 0.037 19635 312 1 . 1 1 63 63 GLY N N 63 107.326 107.326 108.950 -1.624 19635 313 1 . 1 1 63 63 GLY C C 63 176.152 176.152 175.758 0.394 19635 314 1 . 1 1 63 63 GLY CA C 63 47.975 47.975 47.625 0.350 19635 315 1 . 1 1 63 63 GLY H H 63 7.862 7.862 8.522 -0.661 19635 316 1 . 1 1 64 64 ASP N N 64 121.729 121.729 122.624 -0.895 19635 317 1 . 1 1 64 64 ASP HA H 64 4.447 4.447 4.593 -0.146 19635 318 1 . 1 1 64 64 ASP C C 64 178.338 178.338 177.964 0.374 19635 319 1 . 1 1 64 64 ASP CA C 64 57.516 57.516 57.291 0.225 19635 320 1 . 1 1 64 64 ASP CB C 64 40.135 40.135 40.975 -0.840 19635 321 1 . 1 1 64 64 ASP H H 64 8.899 8.899 8.273 0.626 19635 322 1 . 1 1 65 65 PHE N N 65 122.347 122.347 121.933 0.414 19635 323 1 . 1 1 65 65 PHE HA H 65 4.259 4.259 4.054 0.205 19635 324 1 . 1 1 65 65 PHE C C 65 176.989 176.989 177.173 -0.184 19635 325 1 . 1 1 65 65 PHE CA C 65 61.357 61.357 61.748 -0.391 19635 326 1 . 1 1 65 65 PHE CB C 65 39.589 39.589 39.078 0.511 19635 327 1 . 1 1 65 65 PHE H H 65 7.662 7.662 7.810 -0.148 19635 328 1 . 1 1 66 66 TYR N N 66 117.664 117.664 117.699 -0.035 19635 329 1 . 1 1 66 66 TYR HA H 66 3.752 3.752 4.197 -0.445 19635 330 1 . 1 1 66 66 TYR C C 66 179.253 179.253 178.385 0.868 19635 331 1 . 1 1 66 66 TYR CA C 66 63.822 63.822 62.616 1.206 19635 332 1 . 1 1 66 66 TYR CB C 66 38.532 38.532 38.272 0.260 19635 333 1 . 1 1 66 66 TYR H H 66 8.105 8.105 8.495 -0.390 19635 334 1 . 1 1 67 67 GLN N N 67 117.372 117.372 117.708 -0.336 19635 335 1 . 1 1 67 67 GLN HA H 67 3.752 3.752 4.137 -0.385 19635 336 1 . 1 1 67 67 GLN C C 67 180.322 180.322 179.005 1.317 19635 337 1 . 1 1 67 67 GLN CA C 67 59.714 59.714 59.015 0.699 19635 338 1 . 1 1 67 67 GLN CB C 67 27.759 27.759 28.421 -0.662 19635 339 1 . 1 1 67 67 GLN H H 67 8.263 8.263 8.012 0.251 19635 340 1 . 1 1 68 68 GLU N N 68 122.805 122.805 119.491 3.314 19635 341 1 . 1 1 68 68 GLU HA H 68 4.130 4.130 4.090 0.040 19635 342 1 . 1 1 68 68 GLU C C 68 178.400 178.400 177.419 0.981 19635 343 1 . 1 1 68 68 GLU CA C 68 56.062 56.062 58.506 -2.444 19635 344 1 . 1 1 68 68 GLU CB C 68 41.955 41.955 29.398 12.557 19635 345 1 . 1 1 68 68 GLU H H 68 8.525 8.525 8.099 0.426 19635 346 1 . 1 1 69 69 LYS N N 69 116.254 116.254 116.373 -0.119 19635 347 1 . 1 1 69 69 LYS HA H 69 4.223 4.223 4.179 0.044 19635 348 1 . 1 1 69 69 LYS C C 69 176.090 176.090 176.422 -0.332 19635 349 1 . 1 1 69 69 LYS CA C 69 54.692 54.692 55.408 -0.716 19635 350 1 . 1 1 69 69 LYS CB C 69 31.685 31.685 32.097 -0.412 19635 351 1 . 1 1 69 69 LYS H H 69 7.413 7.413 7.391 0.022 19635 352 1 . 1 1 70 70 GLY N N 70 105.876 105.876 105.997 -0.121 19635 353 1 . 1 1 70 70 GLY C C 70 174.602 174.602 174.785 -0.183 19635 354 1 . 1 1 70 70 GLY CA C 70 45.197 45.197 44.840 0.358 19635 355 1 . 1 1 70 70 GLY H H 70 7.770 7.770 7.748 0.022 19635 356 1 . 1 1 71 71 TYR N N 71 124.341 124.341 121.939 2.402 19635 357 1 . 1 1 71 71 TYR HA H 71 4.795 4.795 4.686 0.109 19635 358 1 . 1 1 71 71 TYR C C 71 177.082 177.082 176.179 0.903 19635 359 1 . 1 1 71 71 TYR CA C 71 57.431 57.431 56.997 0.434 19635 360 1 . 1 1 71 71 TYR CB C 71 36.524 36.524 36.260 0.264 19635 361 1 . 1 1 71 71 TYR H H 71 8.387 8.387 8.009 0.378 19635 362 1 . 1 1 72 72 VAL N N 72 113.636 113.636 122.495 -8.859 19635 363 1 . 1 1 72 72 VAL HA H 72 4.010 4.010 3.887 0.123 19635 364 1 . 1 1 72 72 VAL C C 72 176.989 176.989 176.812 0.177 19635 365 1 . 1 1 72 72 VAL CA C 72 64.251 64.251 64.691 -0.440 19635 366 1 . 1 1 72 72 VAL CB C 72 31.440 31.440 31.720 -0.280 19635 367 1 . 1 1 72 72 VAL H H 72 7.239 7.239 7.853 -0.614 19635 368 1 . 1 1 73 73 LEU N N 73 120.170 120.170 117.862 2.308 19635 369 1 . 1 1 73 73 LEU HA H 73 4.487 4.487 4.376 0.111 19635 370 1 . 1 1 73 73 LEU C C 73 176.927 176.927 176.218 0.709 19635 371 1 . 1 1 73 73 LEU CA C 73 54.474 54.474 54.636 -0.163 19635 372 1 . 1 1 73 73 LEU CB C 73 41.819 41.819 41.665 0.154 19635 373 1 . 1 1 73 73 LEU H H 73 8.765 8.765 7.920 0.845 19635 374 1 . 1 1 74 74 ALA N N 74 122.084 122.084 121.759 0.325 19635 375 1 . 1 1 74 74 ALA HA H 74 4.537 4.537 4.983 -0.446 19635 376 1 . 1 1 74 74 ALA C C 74 177.516 177.516 176.539 0.977 19635 377 1 . 1 1 74 74 ALA CA C 74 52.329 52.329 51.430 0.899 19635 378 1 . 1 1 74 74 ALA CB C 74 21.065 21.065 20.582 0.483 19635 379 1 . 1 1 74 74 ALA H H 74 7.322 7.322 7.406 -0.084 19635 380 1 . 1 1 75 75 ARG N N 75 118.061 118.061 121.733 -3.671 19635 381 1 . 1 1 75 75 ARG HA H 75 4.606 4.606 4.667 -0.061 19635 382 1 . 1 1 75 75 ARG C C 75 173.036 173.036 173.961 -0.925 19635 383 1 . 1 1 75 75 ARG CA C 75 54.604 54.604 54.719 -0.115 19635 384 1 . 1 1 75 75 ARG CB C 75 34.037 34.037 34.557 -0.520 19635 385 1 . 1 1 75 75 ARG H H 75 8.521 8.521 8.838 -0.317 19635 386 1 . 1 1 76 76 ALA N N 76 122.847 122.847 126.403 -3.556 19635 387 1 . 1 1 76 76 ALA HA H 76 5.533 5.533 5.172 0.361 19635 388 1 . 1 1 76 76 ALA C C 76 176.028 176.028 175.657 0.371 19635 389 1 . 1 1 76 76 ALA CA C 76 50.219 50.219 50.594 -0.375 19635 390 1 . 1 1 76 76 ALA CB C 76 22.464 22.464 21.067 1.397 19635 391 1 . 1 1 76 76 ALA H H 76 8.553 8.553 8.645 -0.092 19635 392 1 . 1 1 77 77 PHE N N 77 117.410 117.410 118.969 -1.559 19635 393 1 . 1 1 77 77 PHE HA H 77 4.922 4.922 5.071 -0.149 19635 394 1 . 1 1 77 77 PHE C C 77 172.091 172.091 173.260 -1.169 19635 395 1 . 1 1 77 77 PHE CA C 77 55.697 55.697 55.615 0.082 19635 396 1 . 1 1 77 77 PHE CB C 77 41.637 41.637 41.981 -0.344 19635 397 1 . 1 1 77 77 PHE H H 77 9.079 9.079 8.690 0.389 19635 398 1 . 1 1 78 78 LEU N N 78 123.541 123.541 123.964 -0.423 19635 399 1 . 1 1 78 78 LEU HA H 78 5.023 5.023 4.797 0.226 19635 400 1 . 1 1 78 78 LEU C C 78 174.494 174.494 175.375 -0.881 19635 401 1 . 1 1 78 78 LEU CA C 78 51.328 51.328 51.093 0.235 19635 402 1 . 1 1 78 78 LEU CB C 78 42.774 42.774 44.345 -1.572 19635 403 1 . 1 1 78 78 LEU H H 78 9.031 9.031 8.844 0.187 19635 404 1 . 1 1 79 79 PRO HA H 79 4.661 4.661 4.584 0.077 19635 405 1 . 1 1 79 79 PRO C C 79 176.239 176.239 176.296 -0.057 19635 406 1 . 1 1 79 79 PRO CA C 79 62.067 62.067 63.013 -0.946 19635 407 1 . 1 1 79 79 PRO CB C 79 32.672 32.672 31.479 1.193 19635 408 1 . 1 1 80 80 ALA N N 80 124.122 124.122 126.712 -2.590 19635 409 1 . 1 1 80 80 ALA HA H 80 4.379 4.379 4.243 0.136 19635 410 1 . 1 1 80 80 ALA C C 80 177.807 177.807 177.554 0.253 19635 411 1 . 1 1 80 80 ALA CA C 80 53.291 53.291 52.563 0.728 19635 412 1 . 1 1 80 80 ALA CB C 80 17.692 17.692 18.325 -0.633 19635 413 1 . 1 1 80 80 ALA H H 80 8.488 8.488 8.298 0.190 19635 414 1 . 1 1 81 81 GLN N N 81 118.018 118.018 119.868 -1.850 19635 415 1 . 1 1 81 81 GLN HA H 81 5.234 5.234 4.213 1.021 19635 416 1 . 1 1 81 81 GLN C C 81 173.284 173.284 176.010 -2.726 19635 417 1 . 1 1 81 81 GLN CA C 81 55.332 55.332 56.742 -1.410 19635 418 1 . 1 1 81 81 GLN CB C 81 31.580 31.580 28.592 2.988 19635 419 1 . 1 1 81 81 GLN H H 81 8.157 8.157 8.266 -0.109 19635 420 1 . 1 1 83 83 ILE HA H 83 4.121 4.121 3.949 0.172 19635 421 1 . 1 1 83 83 ILE C C 83 175.873 175.873 175.698 0.175 19635 422 1 . 1 1 83 83 ILE CA C 83 62.249 62.249 61.457 0.792 19635 423 1 . 1 1 83 83 ILE CB C 83 37.495 37.495 37.964 -0.469 19635 424 1 . 1 1 84 84 GLN N N 84 126.522 126.522 124.641 1.881 19635 425 1 . 1 1 84 84 GLN HA H 84 4.111 4.111 4.304 -0.193 19635 426 1 . 1 1 84 84 GLN C C 84 176.028 176.028 175.607 0.421 19635 427 1 . 1 1 84 84 GLN CA C 84 61.521 61.521 55.283 6.238 19635 428 1 . 1 1 84 84 GLN CB C 84 37.464 37.464 29.401 8.063 19635 429 1 . 1 1 84 84 GLN H H 84 8.679 8.679 8.381 0.298 19635 430 1 . 1 1 85 85 ASP HA H 85 4.488 4.488 4.419 0.069 19635 431 1 . 1 1 85 85 ASP C C 85 176.709 176.709 176.239 0.470 19635 432 1 . 1 1 85 85 ASP CA C 85 54.513 54.513 54.131 0.382 19635 433 1 . 1 1 85 85 ASP CB C 85 40.643 40.643 40.274 0.369 19635 434 1 . 1 1 86 86 GLY N N 86 104.397 104.397 110.269 -5.872 19635 435 1 . 1 1 86 86 GLY C C 86 174.308 174.308 173.546 0.762 19635 436 1 . 1 1 86 86 GLY CA C 86 46.323 46.323 45.493 0.830 19635 437 1 . 1 1 86 86 GLY H H 86 8.310 8.310 8.297 0.013 19635 438 1 . 1 1 87 87 THR N N 87 119.045 119.045 120.779 -1.734 19635 439 1 . 1 1 87 87 THR HA H 87 4.670 4.670 5.000 -0.330 19635 440 1 . 1 1 87 87 THR C C 87 172.943 172.943 173.712 -0.769 19635 441 1 . 1 1 87 87 THR CA C 87 61.905 61.905 62.626 -0.721 19635 442 1 . 1 1 87 87 THR CB C 87 68.779 68.779 69.977 -1.198 19635 443 1 . 1 1 87 87 THR H H 87 7.877 7.877 7.728 0.149 19635 444 1 . 1 1 88 88 VAL N N 88 127.859 127.859 121.488 6.371 19635 445 1 . 1 1 88 88 VAL HA H 88 4.110 4.110 4.458 -0.347 19635 446 1 . 1 1 88 88 VAL C C 88 174.463 174.463 174.264 0.199 19635 447 1 . 1 1 88 88 VAL CA C 88 61.157 61.157 59.722 1.435 19635 448 1 . 1 1 88 88 VAL CB C 88 33.237 33.237 33.739 -0.502 19635 449 1 . 1 1 88 88 VAL H H 88 8.241 8.241 8.246 -0.005 19635 450 1 . 1 1 89 89 ARG N N 89 129.825 129.825 127.090 2.735 19635 451 1 . 1 1 89 89 ARG HA H 89 5.234 5.234 5.293 -0.059 19635 452 1 . 1 1 89 89 ARG C C 89 175.470 175.470 175.610 -0.140 19635 453 1 . 1 1 89 89 ARG CA C 89 55.357 55.357 54.831 0.526 19635 454 1 . 1 1 89 89 ARG CB C 89 31.594 31.594 32.111 -0.517 19635 455 1 . 1 1 89 89 ARG H H 89 9.541 9.541 8.565 0.976 19635 456 1 . 1 1 90 90 ILE N N 90 123.428 123.428 127.011 -3.583 19635 457 1 . 1 1 90 90 ILE HA H 90 4.299 4.299 4.272 0.027 19635 458 1 . 1 1 90 90 ILE C C 90 174.106 174.106 174.390 -0.284 19635 459 1 . 1 1 90 90 ILE CA C 90 60.444 60.444 60.442 0.002 19635 460 1 . 1 1 90 90 ILE CB C 90 41.390 41.390 40.567 0.823 19635 461 1 . 1 1 90 90 ILE H H 90 8.641 8.641 9.172 -0.531 19635 462 1 . 1 1 91 91 GLU N N 91 126.760 126.760 127.178 -0.418 19635 463 1 . 1 1 91 91 GLU HA H 91 4.903 4.903 4.899 0.004 19635 464 1 . 1 1 91 91 GLU C C 91 174.246 174.246 175.584 -1.338 19635 465 1 . 1 1 91 91 GLU CA C 91 54.422 54.422 54.767 -0.345 19635 466 1 . 1 1 91 91 GLU CB C 91 32.035 32.035 30.690 1.345 19635 467 1 . 1 1 91 91 GLU H H 91 8.388 8.388 8.729 -0.341 19635 468 1 . 1 1 92 92 VAL N N 92 122.222 122.222 125.422 -3.200 19635 469 1 . 1 1 92 92 VAL HA H 92 4.385 4.385 3.987 0.398 19635 470 1 . 1 1 92 92 VAL C C 92 174.835 174.835 174.816 0.019 19635 471 1 . 1 1 92 92 VAL CA C 92 61.066 61.066 61.637 -0.571 19635 472 1 . 1 1 92 92 VAL CB C 92 33.946 33.946 31.894 2.052 19635 473 1 . 1 1 92 92 VAL H H 92 8.790 8.790 8.967 -0.177 19635 474 1 . 1 1 93 93 LEU N N 93 128.617 128.617 130.452 -1.835 19635 475 1 . 1 1 93 93 LEU HA H 93 4.812 4.812 4.651 0.161 19635 476 1 . 1 1 93 93 LEU C C 93 176.540 176.540 176.278 0.262 19635 477 1 . 1 1 93 93 LEU CA C 93 53.148 53.148 53.731 -0.584 19635 478 1 . 1 1 93 93 LEU CB C 93 43.229 43.229 42.014 1.214 19635 479 1 . 1 1 93 93 LEU H H 93 8.980 8.980 8.801 0.178 19635 480 1 . 1 1 94 94 GLU N N 94 123.476 123.476 125.589 -2.113 19635 481 1 . 1 1 94 94 GLU HA H 94 3.821 3.821 4.133 -0.312 19635 482 1 . 1 1 94 94 GLU C C 94 175.408 175.408 176.088 -0.680 19635 483 1 . 1 1 94 94 GLU CA C 94 57.797 57.797 57.248 0.549 19635 484 1 . 1 1 94 94 GLU CB C 94 29.676 29.676 30.040 -0.364 19635 485 1 . 1 1 94 94 GLU H H 94 8.930 8.930 8.252 0.678 19635 stop_ save_