data_19703 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19703 _Entry.PDB_ID 2MJ3 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 19703 _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 2 2 PRO HA H 2 4.138 4.138 4.478 -0.340 19703 2 1 1 . 1 1 2 2 PRO C C 2 174.711 174.711 175.272 -0.561 19703 3 1 1 . 1 1 2 2 PRO CA C 2 61.918 61.918 62.791 -0.873 19703 4 1 1 . 1 1 2 2 PRO CB C 2 31.604 31.604 33.102 -1.498 19703 5 1 1 . 1 1 3 3 LEU N N 3 122.430 122.430 119.771 2.659 19703 6 1 1 . 1 1 3 3 LEU HA H 3 4.840 4.840 4.513 0.327 19703 7 1 1 . 1 1 3 3 LEU C C 3 176.954 176.954 175.038 1.916 19703 8 1 1 . 1 1 3 3 LEU CA C 3 53.697 53.697 53.897 -0.200 19703 9 1 1 . 1 1 3 3 LEU CB C 3 42.404 42.404 44.830 -2.426 19703 10 1 1 . 1 1 3 3 LEU H H 3 8.745 8.745 8.092 0.653 19703 11 1 1 . 1 1 4 4 ILE N N 4 125.237 125.237 123.207 2.030 19703 12 1 1 . 1 1 4 4 ILE HA H 4 4.465 4.465 4.418 0.047 19703 13 1 1 . 1 1 4 4 ILE C C 4 174.949 174.949 175.011 -0.062 19703 14 1 1 . 1 1 4 4 ILE CA C 4 57.967 57.967 58.315 -0.348 19703 15 1 1 . 1 1 4 4 ILE CB C 4 38.795 38.795 39.710 -0.915 19703 16 1 1 . 1 1 4 4 ILE H H 4 8.824 8.824 7.829 0.995 19703 17 1 1 . 1 1 5 5 THR N N 5 124.237 124.237 123.217 1.020 19703 18 1 1 . 1 1 5 5 THR HA H 5 5.133 5.133 4.492 0.641 19703 19 1 1 . 1 1 5 5 THR C C 5 172.705 172.705 173.673 -0.968 19703 20 1 1 . 1 1 5 5 THR CA C 5 61.945 61.945 62.572 -0.626 19703 21 1 1 . 1 1 5 5 THR CB C 5 70.736 70.736 69.266 1.470 19703 22 1 1 . 1 1 5 5 THR H H 5 8.802 8.802 7.999 0.803 19703 23 1 1 . 1 1 6 6 PHE N N 6 124.358 124.358 127.879 -3.521 19703 24 1 1 . 1 1 6 6 PHE HA H 6 5.244 5.244 5.431 -0.187 19703 25 1 1 . 1 1 6 6 PHE C C 6 176.172 176.172 175.654 0.518 19703 26 1 1 . 1 1 6 6 PHE CA C 6 56.309 56.309 54.996 1.313 19703 27 1 1 . 1 1 6 6 PHE CB C 6 42.111 42.111 39.394 2.717 19703 28 1 1 . 1 1 6 6 PHE H H 6 9.239 9.239 8.194 1.045 19703 29 1 1 . 1 1 7 7 ILE N N 7 126.251 126.251 124.557 1.694 19703 30 1 1 . 1 1 7 7 ILE HA H 7 4.847 4.847 4.476 0.371 19703 31 1 1 . 1 1 7 7 ILE C C 7 176.608 176.608 176.001 0.607 19703 32 1 1 . 1 1 7 7 ILE CA C 7 60.317 60.317 61.097 -0.780 19703 33 1 1 . 1 1 7 7 ILE CB C 7 38.252 38.252 38.600 -0.348 19703 34 1 1 . 1 1 7 7 ILE H H 7 9.509 9.509 8.002 1.507 19703 35 1 1 . 1 1 8 8 SER N N 8 124.211 124.211 120.219 3.992 19703 36 1 1 . 1 1 8 8 SER C C 8 174.143 174.143 174.649 -0.506 19703 37 1 1 . 1 1 8 8 SER CA C 8 59.506 59.506 55.550 3.956 19703 38 1 1 . 1 1 8 8 SER CB C 8 62.938 62.938 64.160 -1.222 19703 39 1 1 . 1 1 8 8 SER H H 8 8.880 8.880 7.901 0.979 19703 40 1 1 . 1 1 9 9 PRO HA H 9 4.326 4.326 4.492 -0.166 19703 41 1 1 . 1 1 9 9 PRO C C 9 176.530 176.530 176.224 0.306 19703 42 1 1 . 1 1 9 9 PRO CA C 9 65.685 65.685 64.882 0.803 19703 43 1 1 . 1 1 9 9 PRO CB C 9 31.920 31.920 31.856 0.064 19703 44 1 1 . 1 1 10 10 ASP N N 10 113.865 113.865 116.505 -2.640 19703 45 1 1 . 1 1 10 10 ASP HA H 10 4.413 4.413 4.606 -0.193 19703 46 1 1 . 1 1 10 10 ASP C C 10 177.083 177.083 176.955 0.128 19703 47 1 1 . 1 1 10 10 ASP CA C 10 53.302 53.302 54.351 -1.049 19703 48 1 1 . 1 1 10 10 ASP CB C 10 39.571 39.571 40.750 -1.179 19703 49 1 1 . 1 1 10 10 ASP H H 10 7.667 7.667 8.409 -0.742 19703 50 1 1 . 1 1 11 11 GLY N N 11 109.808 109.808 107.294 2.514 19703 51 1 1 . 1 1 11 11 GLY C C 11 174.638 174.638 174.580 0.058 19703 52 1 1 . 1 1 11 11 GLY CA C 11 44.844 44.844 44.925 -0.081 19703 53 1 1 . 1 1 11 11 GLY H H 11 8.538 8.538 7.630 0.908 19703 54 1 1 . 1 1 12 12 SER N N 12 118.381 118.381 116.066 2.315 19703 55 1 1 . 1 1 12 12 SER HA H 12 4.224 4.224 4.567 -0.343 19703 56 1 1 . 1 1 12 12 SER C C 12 172.370 172.370 173.975 -1.605 19703 57 1 1 . 1 1 12 12 SER CA C 12 59.344 59.344 58.808 0.536 19703 58 1 1 . 1 1 12 12 SER CB C 12 63.909 63.909 63.836 0.073 19703 59 1 1 . 1 1 12 12 SER H H 12 8.233 8.233 7.919 0.314 19703 60 1 1 . 1 1 13 13 ARG N N 13 119.429 119.429 117.190 2.239 19703 61 1 1 . 1 1 13 13 ARG HA H 13 5.322 5.322 5.083 0.239 19703 62 1 1 . 1 1 13 13 ARG C C 13 175.622 175.622 174.607 1.015 19703 63 1 1 . 1 1 13 13 ARG CA C 13 54.652 54.652 55.490 -0.838 19703 64 1 1 . 1 1 13 13 ARG CB C 13 33.616 33.616 33.140 0.476 19703 65 1 1 . 1 1 13 13 ARG H H 13 8.386 8.386 8.423 -0.037 19703 66 1 1 . 1 1 14 14 LYS N N 14 122.872 122.872 123.783 -0.911 19703 67 1 1 . 1 1 14 14 LYS HA H 14 4.409 4.409 4.802 -0.393 19703 68 1 1 . 1 1 14 14 LYS C C 14 173.900 173.900 175.249 -1.349 19703 69 1 1 . 1 1 14 14 LYS CA C 14 55.236 55.236 54.411 0.825 19703 70 1 1 . 1 1 14 14 LYS CB C 14 37.200 37.200 35.632 1.568 19703 71 1 1 . 1 1 14 14 LYS H H 14 8.313 8.313 8.985 -0.672 19703 72 1 1 . 1 1 15 15 THR N N 15 119.577 119.577 116.388 3.189 19703 73 1 1 . 1 1 15 15 THR HA H 15 5.021 5.021 4.656 0.365 19703 74 1 1 . 1 1 15 15 THR C C 15 173.125 173.125 173.498 -0.373 19703 75 1 1 . 1 1 15 15 THR CA C 15 61.744 61.744 61.976 -0.232 19703 76 1 1 . 1 1 15 15 THR CB C 15 70.674 70.674 69.959 0.715 19703 77 1 1 . 1 1 15 15 THR H H 15 8.058 8.058 8.486 -0.428 19703 78 1 1 . 1 1 16 16 TYR N N 16 124.739 124.739 125.413 -0.674 19703 79 1 1 . 1 1 16 16 TYR HA H 16 4.793 4.793 4.714 0.079 19703 80 1 1 . 1 1 16 16 TYR C C 16 174.110 174.110 174.717 -0.607 19703 81 1 1 . 1 1 16 16 TYR CA C 16 56.177 56.177 57.541 -1.364 19703 82 1 1 . 1 1 16 16 TYR CB C 16 43.856 43.856 43.050 0.806 19703 83 1 1 . 1 1 16 16 TYR H H 16 9.192 9.192 7.991 1.201 19703 84 1 1 . 1 1 17 17 GLU N N 17 120.492 120.492 125.396 -4.904 19703 85 1 1 . 1 1 17 17 GLU HA H 17 4.402 4.402 4.307 0.095 19703 86 1 1 . 1 1 17 17 GLU C C 17 175.431 175.431 175.418 0.013 19703 87 1 1 . 1 1 17 17 GLU CA C 17 55.885 55.885 57.583 -1.698 19703 88 1 1 . 1 1 17 17 GLU CB C 17 30.772 30.772 29.752 1.020 19703 89 1 1 . 1 1 17 17 GLU H H 17 8.485 8.485 8.782 -0.297 19703 90 1 1 . 1 1 18 18 ALA N N 18 127.314 127.314 127.385 -0.071 19703 91 1 1 . 1 1 18 18 ALA HA H 18 4.289 4.289 4.677 -0.388 19703 92 1 1 . 1 1 18 18 ALA C C 18 176.561 176.561 175.538 1.023 19703 93 1 1 . 1 1 18 18 ALA CA C 18 50.368 50.368 51.210 -0.842 19703 94 1 1 . 1 1 18 18 ALA CB C 18 22.174 22.174 21.778 0.396 19703 95 1 1 . 1 1 18 18 ALA H H 18 8.394 8.394 7.888 0.506 19703 96 1 1 . 1 1 19 19 TYR N N 19 118.845 118.845 117.469 1.376 19703 97 1 1 . 1 1 19 19 TYR HA H 19 4.698 4.698 4.667 0.031 19703 98 1 1 . 1 1 19 19 TYR C C 19 175.697 175.697 174.450 1.247 19703 99 1 1 . 1 1 19 19 TYR CA C 19 55.217 55.217 57.167 -1.950 19703 100 1 1 . 1 1 19 19 TYR CB C 19 38.407 38.407 41.575 -3.168 19703 101 1 1 . 1 1 19 19 TYR H H 19 8.588 8.588 8.646 -0.058 19703 102 1 1 . 1 1 20 20 ASP N N 20 121.106 121.106 121.014 0.092 19703 103 1 1 . 1 1 20 20 ASP HA H 20 4.176 4.176 4.575 -0.399 19703 104 1 1 . 1 1 20 20 ASP C C 20 176.460 176.460 176.440 0.020 19703 105 1 1 . 1 1 20 20 ASP CA C 20 55.993 55.993 55.613 0.380 19703 106 1 1 . 1 1 20 20 ASP CB C 20 41.290 41.290 41.201 0.089 19703 107 1 1 . 1 1 20 20 ASP H H 20 8.280 8.280 8.809 -0.529 19703 108 1 1 . 1 1 21 21 GLY N N 21 115.001 115.001 114.182 0.819 19703 109 1 1 . 1 1 21 21 GLY C C 21 173.948 173.948 173.665 0.283 19703 110 1 1 . 1 1 21 21 GLY CA C 21 45.288 45.288 45.824 -0.536 19703 111 1 1 . 1 1 21 21 GLY H H 21 9.011 9.011 8.287 0.724 19703 112 1 1 . 1 1 22 22 GLU N N 22 121.980 121.980 120.807 1.173 19703 113 1 1 . 1 1 22 22 GLU HA H 22 4.517 4.517 4.483 0.034 19703 114 1 1 . 1 1 22 22 GLU C C 22 175.114 175.114 176.447 -1.333 19703 115 1 1 . 1 1 22 22 GLU CA C 22 55.077 55.077 55.392 -0.315 19703 116 1 1 . 1 1 22 22 GLU CB C 22 30.747 30.747 30.979 -0.232 19703 117 1 1 . 1 1 22 22 GLU H H 22 7.856 7.856 7.593 0.263 19703 118 1 1 . 1 1 23 23 THR N N 23 110.390 110.390 116.926 -6.536 19703 119 1 1 . 1 1 23 23 THR HA H 23 5.382 5.382 4.361 1.021 19703 120 1 1 . 1 1 23 23 THR C C 23 176.857 176.857 175.881 0.976 19703 121 1 1 . 1 1 23 23 THR CA C 23 60.549 60.549 60.788 -0.238 19703 122 1 1 . 1 1 23 23 THR CB C 23 72.554 72.554 69.485 3.069 19703 123 1 1 . 1 1 23 23 THR H H 23 8.234 8.234 8.403 -0.169 19703 124 1 1 . 1 1 24 24 LEU N N 24 120.243 120.243 122.298 -2.055 19703 125 1 1 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.104 -0.082 19703 126 1 1 . 1 1 24 24 LEU C C 24 178.102 178.102 178.468 -0.366 19703 127 1 1 . 1 1 24 24 LEU CA C 24 58.076 58.076 57.228 0.848 19703 128 1 1 . 1 1 24 24 LEU CB C 24 41.982 41.982 41.564 0.418 19703 129 1 1 . 1 1 24 24 LEU H H 24 8.410 8.410 8.888 -0.478 19703 130 1 1 . 1 1 25 25 LEU N N 25 116.005 116.005 119.284 -3.279 19703 131 1 1 . 1 1 25 25 LEU HA H 25 3.772 3.772 3.848 -0.076 19703 132 1 1 . 1 1 25 25 LEU C C 25 176.517 176.517 178.731 -2.214 19703 133 1 1 . 1 1 25 25 LEU CA C 25 57.593 57.593 58.871 -1.278 19703 134 1 1 . 1 1 25 25 LEU CB C 25 42.559 42.559 41.391 1.168 19703 135 1 1 . 1 1 25 25 LEU H H 25 6.645 6.645 7.781 -1.136 19703 136 1 1 . 1 1 26 26 SER N N 26 115.141 115.141 113.341 1.800 19703 137 1 1 . 1 1 26 26 SER HA H 26 4.061 4.061 4.103 -0.042 19703 138 1 1 . 1 1 26 26 SER C C 26 177.287 177.287 176.525 0.762 19703 139 1 1 . 1 1 26 26 SER CA C 26 61.413 61.413 61.186 0.227 19703 140 1 1 . 1 1 26 26 SER CB C 26 62.377 62.377 62.892 -0.515 19703 141 1 1 . 1 1 26 26 SER H H 26 7.847 7.847 7.764 0.083 19703 142 1 1 . 1 1 27 27 LEU N N 27 122.244 122.244 122.511 -0.267 19703 143 1 1 . 1 1 27 27 LEU HA H 27 3.837 3.837 4.297 -0.460 19703 144 1 1 . 1 1 27 27 LEU C C 27 179.116 179.116 178.196 0.920 19703 145 1 1 . 1 1 27 27 LEU CA C 27 58.435 58.435 57.137 1.298 19703 146 1 1 . 1 1 27 27 LEU CB C 27 41.586 41.586 41.633 -0.047 19703 147 1 1 . 1 1 27 27 LEU H H 27 7.869 7.869 7.800 0.069 19703 148 1 1 . 1 1 28 28 ALA N N 28 120.875 120.875 121.996 -1.121 19703 149 1 1 . 1 1 28 28 ALA HA H 28 3.278 3.278 3.854 -0.576 19703 150 1 1 . 1 1 28 28 ALA C C 28 179.545 179.545 179.773 -0.228 19703 151 1 1 . 1 1 28 28 ALA CA C 28 54.696 54.696 55.238 -0.542 19703 152 1 1 . 1 1 28 28 ALA CB C 28 18.423 18.423 18.099 0.324 19703 153 1 1 . 1 1 28 28 ALA H H 28 8.002 8.002 8.280 -0.278 19703 154 1 1 . 1 1 29 29 HIS N N 29 117.818 117.818 117.073 0.745 19703 155 1 1 . 1 1 29 29 HIS HA H 29 4.538 4.538 4.409 0.129 19703 156 1 1 . 1 1 29 29 HIS C C 29 178.985 178.985 178.661 0.324 19703 157 1 1 . 1 1 29 29 HIS CA C 29 57.620 57.620 60.261 -2.641 19703 158 1 1 . 1 1 29 29 HIS CB C 29 28.961 28.961 29.857 -0.896 19703 159 1 1 . 1 1 29 29 HIS H H 29 8.587 8.587 8.032 0.555 19703 160 1 1 . 1 1 30 30 ARG N N 30 118.408 118.408 118.867 -0.459 19703 161 1 1 . 1 1 30 30 ARG HA H 30 4.111 4.111 4.137 -0.026 19703 162 1 1 . 1 1 30 30 ARG C C 30 176.361 176.361 177.219 -0.858 19703 163 1 1 . 1 1 30 30 ARG CA C 30 58.818 58.818 58.718 0.101 19703 164 1 1 . 1 1 30 30 ARG CB C 30 30.001 30.001 30.164 -0.163 19703 165 1 1 . 1 1 30 30 ARG H H 30 8.264 8.264 7.746 0.518 19703 166 1 1 . 1 1 31 31 ASN N N 31 114.401 114.401 115.614 -1.213 19703 167 1 1 . 1 1 31 31 ASN HA H 31 4.578 4.578 4.824 -0.246 19703 168 1 1 . 1 1 31 31 ASN C C 31 172.703 172.703 174.324 -1.621 19703 169 1 1 . 1 1 31 31 ASN CA C 31 53.405 53.405 52.665 0.740 19703 170 1 1 . 1 1 31 31 ASN CB C 31 40.339 40.339 37.950 2.389 19703 171 1 1 . 1 1 31 31 ASN H H 31 6.906 6.906 8.466 -1.560 19703 172 1 1 . 1 1 32 32 ASN N N 32 114.697 114.697 114.121 0.576 19703 173 1 1 . 1 1 32 32 ASN HA H 32 4.232 4.232 4.195 0.037 19703 174 1 1 . 1 1 32 32 ASN C C 32 174.118 174.118 174.455 -0.337 19703 175 1 1 . 1 1 32 32 ASN CA C 32 54.845 54.845 53.987 0.858 19703 176 1 1 . 1 1 32 32 ASN CB C 32 36.966 36.966 36.436 0.530 19703 177 1 1 . 1 1 32 32 ASN H H 32 7.637 7.637 7.778 -0.141 19703 178 1 1 . 1 1 33 33 VAL N N 33 119.649 119.649 118.437 1.212 19703 179 1 1 . 1 1 33 33 VAL HA H 33 3.508 3.508 4.165 -0.657 19703 180 1 1 . 1 1 33 33 VAL C C 33 176.639 176.639 175.307 1.332 19703 181 1 1 . 1 1 33 33 VAL CA C 33 62.163 62.163 61.023 1.140 19703 182 1 1 . 1 1 33 33 VAL CB C 33 31.566 31.566 34.061 -2.495 19703 183 1 1 . 1 1 33 33 VAL H H 33 8.003 8.003 7.724 0.279 19703 184 1 1 . 1 1 34 34 ASP N N 34 128.347 128.347 126.013 2.334 19703 185 1 1 . 1 1 34 34 ASP HA H 34 4.381 4.381 4.448 -0.067 19703 186 1 1 . 1 1 34 34 ASP C C 34 172.933 172.933 175.663 -2.730 19703 187 1 1 . 1 1 34 34 ASP CA C 34 54.311 54.311 54.603 -0.292 19703 188 1 1 . 1 1 34 34 ASP CB C 34 39.063 39.063 40.590 -1.526 19703 189 1 1 . 1 1 34 34 ASP H H 34 8.469 8.469 8.401 0.068 19703 190 1 1 . 1 1 35 35 LEU N N 35 127.456 127.456 124.714 2.742 19703 191 1 1 . 1 1 35 35 LEU HA H 35 4.391 4.391 4.783 -0.392 19703 192 1 1 . 1 1 35 35 LEU C C 35 174.747 174.747 175.897 -1.150 19703 193 1 1 . 1 1 35 35 LEU CA C 35 54.105 54.105 53.610 0.495 19703 194 1 1 . 1 1 35 35 LEU H H 35 7.864 7.864 7.715 0.149 19703 195 1 1 . 1 1 49 49 HIS HA H 49 4.857 4.857 4.405 0.452 19703 196 1 1 . 1 1 49 49 HIS C C 49 173.176 173.176 174.559 -1.383 19703 197 1 1 . 1 1 49 49 HIS CA C 49 55.342 55.342 55.994 -0.652 19703 198 1 1 . 1 1 49 49 HIS CB C 49 29.958 29.958 30.140 -0.182 19703 199 1 1 . 1 1 50 50 VAL N N 50 119.554 119.554 113.476 6.078 19703 200 1 1 . 1 1 50 50 VAL HA H 50 4.327 4.327 4.451 -0.124 19703 201 1 1 . 1 1 50 50 VAL C C 50 172.122 172.122 174.349 -2.227 19703 202 1 1 . 1 1 50 50 VAL CA C 50 59.245 59.245 60.691 -1.446 19703 203 1 1 . 1 1 50 50 VAL CB C 50 35.976 35.976 34.895 1.081 19703 204 1 1 . 1 1 50 50 VAL H H 50 9.210 9.210 8.037 1.173 19703 205 1 1 . 1 1 51 51 ILE N N 51 121.739 121.739 123.880 -2.141 19703 206 1 1 . 1 1 51 51 ILE HA H 51 4.021 4.021 4.594 -0.573 19703 207 1 1 . 1 1 51 51 ILE C C 51 175.868 175.868 174.098 1.770 19703 208 1 1 . 1 1 51 51 ILE CA C 51 61.108 61.108 60.343 0.765 19703 209 1 1 . 1 1 51 51 ILE CB C 51 39.340 39.340 39.346 -0.007 19703 210 1 1 . 1 1 51 51 ILE H H 51 8.279 8.279 8.273 0.006 19703 211 1 1 . 1 1 52 52 ILE N N 52 126.048 126.048 123.668 2.380 19703 212 1 1 . 1 1 52 52 ILE HA H 52 4.027 4.027 4.550 -0.523 19703 213 1 1 . 1 1 52 52 ILE C C 52 176.343 176.343 174.684 1.659 19703 214 1 1 . 1 1 52 52 ILE CA C 52 58.856 58.856 58.181 0.675 19703 215 1 1 . 1 1 52 52 ILE CB C 52 35.576 35.576 40.824 -5.248 19703 216 1 1 . 1 1 52 52 ILE H H 52 8.454 8.454 7.988 0.466 19703 217 1 1 . 1 1 53 53 ASP N N 53 127.679 127.679 118.055 9.624 19703 218 1 1 . 1 1 53 53 ASP C C 53 176.811 176.811 176.766 0.045 19703 219 1 1 . 1 1 53 53 ASP CA C 53 54.125 54.125 52.873 1.252 19703 220 1 1 . 1 1 53 53 ASP CB C 53 44.609 44.609 40.191 4.418 19703 221 1 1 . 1 1 53 53 ASP H H 53 7.698 7.698 8.374 -0.676 19703 222 1 1 . 1 1 54 54 PRO HA H 54 4.188 4.188 4.379 -0.191 19703 223 1 1 . 1 1 54 54 PRO C C 54 178.175 178.175 178.339 -0.164 19703 224 1 1 . 1 1 54 54 PRO CA C 54 66.346 66.346 65.039 1.307 19703 225 1 1 . 1 1 54 54 PRO CB C 54 32.210 32.210 32.007 0.203 19703 226 1 1 . 1 1 55 55 SER N N 55 113.470 113.470 114.715 -1.245 19703 227 1 1 . 1 1 55 55 SER HA H 55 4.282 4.282 4.498 -0.216 19703 228 1 1 . 1 1 55 55 SER C C 55 174.884 174.884 175.572 -0.688 19703 229 1 1 . 1 1 55 55 SER CA C 55 61.090 61.090 61.008 0.082 19703 230 1 1 . 1 1 55 55 SER CB C 55 62.971 62.971 63.026 -0.055 19703 231 1 1 . 1 1 55 55 SER H H 55 8.853 8.853 8.485 0.368 19703 232 1 1 . 1 1 56 56 TRP N N 56 120.568 120.568 120.241 0.327 19703 233 1 1 . 1 1 56 56 TRP HA H 56 4.467 4.467 4.794 -0.327 19703 234 1 1 . 1 1 56 56 TRP C C 56 176.386 176.386 177.183 -0.797 19703 235 1 1 . 1 1 56 56 TRP CA C 56 58.465 58.465 57.733 0.732 19703 236 1 1 . 1 1 56 56 TRP CB C 56 33.371 33.371 29.689 3.682 19703 237 1 1 . 1 1 56 56 TRP H H 56 8.656 8.656 7.799 0.857 19703 238 1 1 . 1 1 57 57 TYR N N 57 121.686 121.686 122.162 -0.476 19703 239 1 1 . 1 1 57 57 TYR HA H 57 3.716 3.716 4.025 -0.309 19703 240 1 1 . 1 1 57 57 TYR C C 57 176.621 176.621 177.226 -0.605 19703 241 1 1 . 1 1 57 57 TYR CA C 57 64.137 64.137 62.344 1.793 19703 242 1 1 . 1 1 57 57 TYR CB C 57 38.967 38.967 38.419 0.548 19703 243 1 1 . 1 1 57 57 TYR H H 57 7.329 7.329 8.141 -0.812 19703 244 1 1 . 1 1 58 58 ASP N N 58 119.983 119.983 118.503 1.480 19703 245 1 1 . 1 1 58 58 ASP HA H 58 4.390 4.390 4.316 0.074 19703 246 1 1 . 1 1 58 58 ASP C C 58 178.509 178.509 178.210 0.299 19703 247 1 1 . 1 1 58 58 ASP CA C 58 57.914 57.914 56.715 1.199 19703 248 1 1 . 1 1 58 58 ASP CB C 58 39.741 39.741 40.728 -0.987 19703 249 1 1 . 1 1 58 58 ASP H H 58 9.033 9.033 8.302 0.731 19703 250 1 1 . 1 1 59 59 ILE N N 59 122.534 122.534 120.098 2.436 19703 251 1 1 . 1 1 59 59 ILE HA H 59 3.809 3.809 3.808 0.001 19703 252 1 1 . 1 1 59 59 ILE C C 59 178.418 178.418 178.076 0.342 19703 253 1 1 . 1 1 59 59 ILE CA C 59 64.650 64.650 64.527 0.123 19703 254 1 1 . 1 1 59 59 ILE CB C 59 38.514 38.514 38.342 0.172 19703 255 1 1 . 1 1 59 59 ILE H H 59 7.894 7.894 7.606 0.288 19703 256 1 1 . 1 1 60 60 VAL N N 60 118.811 118.811 117.388 1.423 19703 257 1 1 . 1 1 60 60 VAL HA H 60 3.459 3.459 3.803 -0.344 19703 258 1 1 . 1 1 60 60 VAL C C 60 178.294 178.294 177.791 0.503 19703 259 1 1 . 1 1 60 60 VAL CA C 60 67.819 67.819 65.111 2.708 19703 260 1 1 . 1 1 60 60 VAL CB C 60 31.268 31.268 30.518 0.750 19703 261 1 1 . 1 1 60 60 VAL H H 60 8.265 8.265 8.409 -0.144 19703 262 1 1 . 1 1 61 61 GLU N N 61 121.332 121.332 118.979 2.353 19703 263 1 1 . 1 1 61 61 GLU HA H 61 3.625 3.625 3.871 -0.246 19703 264 1 1 . 1 1 61 61 GLU C C 61 177.407 177.407 177.404 0.003 19703 265 1 1 . 1 1 61 61 GLU CA C 61 59.055 59.055 58.961 0.094 19703 266 1 1 . 1 1 61 61 GLU CB C 61 28.425 28.425 29.508 -1.083 19703 267 1 1 . 1 1 61 61 GLU H H 61 8.036 8.036 7.925 0.111 19703 268 1 1 . 1 1 62 62 GLN N N 62 117.653 117.653 115.567 2.086 19703 269 1 1 . 1 1 62 62 GLN HA H 62 3.734 3.734 4.169 -0.435 19703 270 1 1 . 1 1 62 62 GLN C C 62 177.586 177.586 177.470 0.116 19703 271 1 1 . 1 1 62 62 GLN CA C 62 58.476 58.476 57.788 0.688 19703 272 1 1 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.683 -0.583 19703 273 1 1 . 1 1 62 62 GLN H H 62 7.912 7.912 7.260 0.652 19703 274 1 1 . 1 1 63 63 HIS N N 63 113.347 113.347 120.253 -6.906 19703 275 1 1 . 1 1 63 63 HIS HA H 63 4.438 4.438 4.489 -0.051 19703 276 1 1 . 1 1 63 63 HIS C C 63 177.626 177.626 174.679 2.947 19703 277 1 1 . 1 1 63 63 HIS CA C 63 56.824 56.824 57.482 -0.658 19703 278 1 1 . 1 1 63 63 HIS CB C 63 31.805 31.805 30.454 1.351 19703 279 1 1 . 1 1 63 63 HIS H H 63 6.929 6.929 8.337 -1.408 19703 280 1 1 . 1 1 64 64 ASN N N 64 121.506 121.506 117.465 4.041 19703 281 1 1 . 1 1 64 64 ASN HA H 64 5.081 5.081 4.748 0.333 19703 282 1 1 . 1 1 64 64 ASN C C 64 172.577 172.577 173.509 -0.932 19703 283 1 1 . 1 1 64 64 ASN CA C 64 52.317 52.317 52.389 -0.071 19703 284 1 1 . 1 1 64 64 ASN CB C 64 40.113 40.113 40.704 -0.591 19703 285 1 1 . 1 1 64 64 ASN H H 64 7.875 7.875 7.654 0.221 19703 286 1 1 . 1 1 65 65 GLU N N 65 126.101 126.101 123.013 3.088 19703 287 1 1 . 1 1 65 65 GLU HA H 65 4.132 4.132 4.361 -0.229 19703 288 1 1 . 1 1 65 65 GLU C C 65 176.297 176.297 175.757 0.540 19703 289 1 1 . 1 1 65 65 GLU CA C 65 57.575 57.575 55.835 1.740 19703 290 1 1 . 1 1 65 65 GLU CB C 65 30.195 30.195 30.877 -0.682 19703 291 1 1 . 1 1 65 65 GLU H H 65 8.791 8.791 8.487 0.304 19703 292 1 1 . 1 1 66 66 ILE N N 66 125.274 125.274 117.412 7.862 19703 293 1 1 . 1 1 66 66 ILE HA H 66 3.995 3.995 4.651 -0.656 19703 294 1 1 . 1 1 66 66 ILE C C 66 176.257 176.257 175.574 0.683 19703 295 1 1 . 1 1 66 66 ILE CA C 66 62.046 62.046 59.879 2.167 19703 296 1 1 . 1 1 66 66 ILE CB C 66 37.899 37.899 39.746 -1.847 19703 297 1 1 . 1 1 66 66 ILE H H 66 8.973 8.973 8.083 0.890 19703 298 1 1 . 1 1 67 67 SER N N 67 125.487 125.487 120.573 4.914 19703 299 1 1 . 1 1 67 67 SER HA H 67 4.439 4.439 4.628 -0.189 19703 300 1 1 . 1 1 67 67 SER C C 67 174.736 174.736 174.891 -0.155 19703 301 1 1 . 1 1 67 67 SER CA C 67 58.127 58.127 57.482 0.645 19703 302 1 1 . 1 1 67 67 SER CB C 67 66.057 66.057 64.808 1.249 19703 303 1 1 . 1 1 67 67 SER H H 67 8.585 8.585 8.339 0.246 19703 304 1 1 . 1 1 68 68 ASP N N 68 122.043 122.043 120.793 1.250 19703 305 1 1 . 1 1 68 68 ASP HA H 68 4.309 4.309 4.348 -0.039 19703 306 1 1 . 1 1 68 68 ASP C C 68 178.298 178.298 177.757 0.541 19703 307 1 1 . 1 1 68 68 ASP CA C 68 57.596 57.596 57.390 0.206 19703 308 1 1 . 1 1 68 68 ASP CB C 68 40.548 40.548 40.787 -0.239 19703 309 1 1 . 1 1 68 68 ASP H H 68 8.929 8.929 8.780 0.149 19703 310 1 1 . 1 1 69 69 GLU N N 69 118.225 118.225 118.110 0.115 19703 311 1 1 . 1 1 69 69 GLU HA H 69 3.960 3.960 4.148 -0.188 19703 312 1 1 . 1 1 69 69 GLU C C 69 178.938 178.938 178.534 0.404 19703 313 1 1 . 1 1 69 69 GLU CA C 69 60.728 60.728 58.298 2.430 19703 314 1 1 . 1 1 69 69 GLU CB C 69 29.492 29.492 29.050 0.442 19703 315 1 1 . 1 1 69 69 GLU H H 69 8.852 8.852 8.525 0.327 19703 316 1 1 . 1 1 70 70 GLU N N 70 121.051 121.051 120.751 0.300 19703 317 1 1 . 1 1 70 70 GLU HA H 70 3.820 3.820 4.063 -0.243 19703 318 1 1 . 1 1 70 70 GLU C C 70 177.857 177.857 179.155 -1.298 19703 319 1 1 . 1 1 70 70 GLU CA C 70 59.443 59.443 59.184 0.259 19703 320 1 1 . 1 1 70 70 GLU CB C 70 28.344 28.344 29.360 -1.016 19703 321 1 1 . 1 1 70 70 GLU H H 70 7.923 7.923 8.246 -0.323 19703 322 1 1 . 1 1 71 71 ASN N N 71 118.461 118.461 117.436 1.025 19703 323 1 1 . 1 1 71 71 ASN HA H 71 4.360 4.360 4.403 -0.043 19703 324 1 1 . 1 1 71 71 ASN C C 71 177.621 177.621 177.230 0.391 19703 325 1 1 . 1 1 71 71 ASN CA C 71 56.919 56.919 55.831 1.088 19703 326 1 1 . 1 1 71 71 ASN CB C 71 38.688 38.688 38.578 0.110 19703 327 1 1 . 1 1 71 71 ASN H H 71 7.988 7.988 8.351 -0.363 19703 328 1 1 . 1 1 72 72 ASP N N 72 118.807 118.807 119.419 -0.612 19703 329 1 1 . 1 1 72 72 ASP HA H 72 4.249 4.249 4.429 -0.180 19703 330 1 1 . 1 1 72 72 ASP C C 72 178.772 178.772 178.076 0.696 19703 331 1 1 . 1 1 72 72 ASP CA C 72 57.507 57.507 56.309 1.198 19703 332 1 1 . 1 1 72 72 ASP CB C 72 40.932 40.932 40.792 0.140 19703 333 1 1 . 1 1 72 72 ASP H H 72 8.129 8.129 7.581 0.548 19703 334 1 1 . 1 1 73 73 MET N N 73 117.610 117.610 117.949 -0.339 19703 335 1 1 . 1 1 73 73 MET HA H 73 4.415 4.415 4.092 0.323 19703 336 1 1 . 1 1 73 73 MET C C 73 180.694 180.694 178.202 2.492 19703 337 1 1 . 1 1 73 73 MET CA C 73 56.144 56.144 58.747 -2.603 19703 338 1 1 . 1 1 73 73 MET CB C 73 34.126 34.126 32.494 1.632 19703 339 1 1 . 1 1 73 73 MET H H 73 7.523 7.523 7.937 -0.414 19703 340 1 1 . 1 1 74 74 LEU N N 74 123.258 123.258 119.135 4.123 19703 341 1 1 . 1 1 74 74 LEU HA H 74 3.768 3.768 3.981 -0.213 19703 342 1 1 . 1 1 74 74 LEU C C 74 178.471 178.471 176.862 1.609 19703 343 1 1 . 1 1 74 74 LEU CA C 74 57.865 57.865 57.499 0.366 19703 344 1 1 . 1 1 74 74 LEU CB C 74 41.013 41.013 41.694 -0.681 19703 345 1 1 . 1 1 74 74 LEU H H 74 8.850 8.850 7.460 1.390 19703 346 1 1 . 1 1 75 75 ASP N N 75 115.491 115.491 117.661 -2.170 19703 347 1 1 . 1 1 75 75 ASP HA H 75 4.320 4.320 4.324 -0.004 19703 348 1 1 . 1 1 75 75 ASP C C 75 177.521 177.521 177.256 0.265 19703 349 1 1 . 1 1 75 75 ASP CA C 75 57.000 57.000 56.300 0.701 19703 350 1 1 . 1 1 75 75 ASP CB C 75 41.163 41.163 41.143 0.020 19703 351 1 1 . 1 1 75 75 ASP H H 75 7.439 7.439 7.676 -0.237 19703 352 1 1 . 1 1 76 76 LEU N N 76 116.660 116.660 119.310 -2.650 19703 353 1 1 . 1 1 76 76 LEU HA H 76 4.280 4.280 4.335 -0.055 19703 354 1 1 . 1 1 76 76 LEU C C 76 177.224 177.224 176.570 0.654 19703 355 1 1 . 1 1 76 76 LEU CA C 76 54.067 54.067 54.956 -0.889 19703 356 1 1 . 1 1 76 76 LEU CB C 76 42.211 42.211 42.818 -0.607 19703 357 1 1 . 1 1 76 76 LEU H H 76 7.039 7.039 7.123 -0.084 19703 358 1 1 . 1 1 77 77 ALA N N 77 123.914 123.914 122.207 1.707 19703 359 1 1 . 1 1 77 77 ALA HA H 77 4.074 4.074 4.093 -0.019 19703 360 1 1 . 1 1 77 77 ALA C C 77 177.216 177.216 176.355 0.861 19703 361 1 1 . 1 1 77 77 ALA CA C 77 52.304 52.304 52.781 -0.477 19703 362 1 1 . 1 1 77 77 ALA CB C 77 18.204 18.204 18.762 -0.558 19703 363 1 1 . 1 1 77 77 ALA H H 77 7.736 7.736 7.127 0.609 19703 364 1 1 . 1 1 78 78 PHE N N 78 122.688 122.688 123.180 -0.492 19703 365 1 1 . 1 1 78 78 PHE HA H 78 4.415 4.415 4.548 -0.133 19703 366 1 1 . 1 1 78 78 PHE C C 78 176.460 176.460 176.666 -0.206 19703 367 1 1 . 1 1 78 78 PHE CA C 78 57.752 57.752 57.927 -0.175 19703 368 1 1 . 1 1 78 78 PHE CB C 78 39.221 39.221 40.977 -1.756 19703 369 1 1 . 1 1 78 78 PHE H H 78 8.310 8.310 8.220 0.090 19703 370 1 1 . 1 1 79 79 GLY N N 79 112.822 112.822 112.794 0.028 19703 371 1 1 . 1 1 79 79 GLY C C 79 174.510 174.510 173.735 0.775 19703 372 1 1 . 1 1 79 79 GLY CA C 79 46.279 46.279 45.215 1.064 19703 373 1 1 . 1 1 79 79 GLY H H 79 8.383 8.383 8.821 -0.438 19703 374 1 1 . 1 1 80 80 LEU N N 80 118.988 118.988 121.713 -2.725 19703 375 1 1 . 1 1 80 80 LEU HA H 80 3.754 3.754 4.375 -0.621 19703 376 1 1 . 1 1 80 80 LEU C C 80 176.528 176.528 177.018 -0.490 19703 377 1 1 . 1 1 80 80 LEU CA C 80 56.497 56.497 54.509 1.988 19703 378 1 1 . 1 1 80 80 LEU CB C 80 42.808 42.808 43.008 -0.200 19703 379 1 1 . 1 1 80 80 LEU H H 80 6.978 6.978 7.671 -0.693 19703 380 1 1 . 1 1 81 81 THR N N 81 118.057 118.057 112.643 5.414 19703 381 1 1 . 1 1 81 81 THR HA H 81 4.857 4.857 4.428 0.429 19703 382 1 1 . 1 1 81 81 THR C C 81 175.739 175.739 174.583 1.156 19703 383 1 1 . 1 1 81 81 THR CA C 81 60.194 60.194 60.987 -0.793 19703 384 1 1 . 1 1 81 81 THR CB C 81 73.868 73.868 69.790 4.078 19703 385 1 1 . 1 1 81 81 THR H H 81 9.176 9.176 7.956 1.220 19703 386 1 1 . 1 1 82 82 ASP N N 82 118.080 118.080 118.417 -0.337 19703 387 1 1 . 1 1 82 82 ASP HA H 82 4.379 4.379 4.336 0.043 19703 388 1 1 . 1 1 82 82 ASP C C 82 176.700 176.700 176.467 0.233 19703 389 1 1 . 1 1 82 82 ASP CA C 82 55.835 55.835 55.550 0.285 19703 390 1 1 . 1 1 82 82 ASP CB C 82 40.675 40.675 40.429 0.246 19703 391 1 1 . 1 1 82 82 ASP H H 82 8.679 8.679 8.619 0.060 19703 392 1 1 . 1 1 83 83 THR N N 83 107.059 107.059 108.381 -1.322 19703 393 1 1 . 1 1 83 83 THR HA H 83 4.253 4.253 4.195 0.058 19703 394 1 1 . 1 1 83 83 THR C C 83 174.494 174.494 174.190 0.304 19703 395 1 1 . 1 1 83 83 THR CA C 83 59.749 59.749 63.423 -3.674 19703 396 1 1 . 1 1 83 83 THR CB C 83 66.801 66.801 69.413 -2.612 19703 397 1 1 . 1 1 83 83 THR H H 83 7.893 7.893 7.522 0.371 19703 398 1 1 . 1 1 84 84 SER N N 84 121.526 121.526 117.730 3.796 19703 399 1 1 . 1 1 84 84 SER HA H 84 5.080 5.080 4.632 0.448 19703 400 1 1 . 1 1 84 84 SER C C 84 173.561 173.561 174.791 -1.230 19703 401 1 1 . 1 1 84 84 SER CA C 84 61.844 61.844 57.805 4.039 19703 402 1 1 . 1 1 84 84 SER CB C 84 64.933 64.933 63.645 1.288 19703 403 1 1 . 1 1 84 84 SER H H 84 6.993 6.993 7.436 -0.443 19703 404 1 1 . 1 1 85 85 ARG N N 85 118.632 118.632 128.349 -9.717 19703 405 1 1 . 1 1 85 85 ARG HA H 85 4.809 4.809 4.792 0.017 19703 406 1 1 . 1 1 85 85 ARG C C 85 175.213 175.213 176.003 -0.790 19703 407 1 1 . 1 1 85 85 ARG CA C 85 52.209 52.209 54.042 -1.833 19703 408 1 1 . 1 1 85 85 ARG CB C 85 35.685 35.685 32.393 3.292 19703 409 1 1 . 1 1 85 85 ARG H H 85 9.358 9.358 8.235 1.123 19703 410 1 1 . 1 1 86 86 LEU N N 86 120.203 120.203 118.849 1.354 19703 411 1 1 . 1 1 86 86 LEU H H 86 9.122 9.122 8.907 0.215 19703 412 1 1 . 1 1 89 89 GLN HA H 89 4.188 4.188 4.460 -0.272 19703 413 1 1 . 1 1 89 89 GLN C C 89 173.992 173.992 174.717 -0.725 19703 414 1 1 . 1 1 89 89 GLN CA C 89 53.850 53.850 54.440 -0.590 19703 415 1 1 . 1 1 89 89 GLN CB C 89 29.721 29.721 30.033 -0.312 19703 416 1 1 . 1 1 90 90 ILE N N 90 117.060 117.060 117.400 -0.340 19703 417 1 1 . 1 1 90 90 ILE HA H 90 3.787 3.787 3.838 -0.051 19703 418 1 1 . 1 1 90 90 ILE C C 90 173.762 173.762 174.959 -1.197 19703 419 1 1 . 1 1 90 90 ILE CA C 90 58.765 58.765 62.050 -3.285 19703 420 1 1 . 1 1 90 90 ILE CB C 90 37.268 37.268 35.487 1.781 19703 421 1 1 . 1 1 90 90 ILE H H 90 6.736 6.736 8.128 -1.392 19703 422 1 1 . 1 1 91 91 ILE N N 91 128.173 128.173 119.534 8.639 19703 423 1 1 . 1 1 91 91 ILE HA H 91 3.895 3.895 4.633 -0.738 19703 424 1 1 . 1 1 91 91 ILE C C 91 175.955 175.955 175.777 0.178 19703 425 1 1 . 1 1 91 91 ILE CA C 91 60.160 60.160 58.890 1.270 19703 426 1 1 . 1 1 91 91 ILE CB C 91 37.104 37.104 39.400 -2.296 19703 427 1 1 . 1 1 91 91 ILE H H 91 8.157 8.157 7.819 0.338 19703 428 1 1 . 1 1 92 92 LEU N N 92 127.403 127.403 127.500 -0.097 19703 429 1 1 . 1 1 92 92 LEU HA H 92 4.105 4.105 4.274 -0.169 19703 430 1 1 . 1 1 92 92 LEU C C 92 174.391 174.391 176.646 -2.255 19703 431 1 1 . 1 1 92 92 LEU CA C 92 54.805 54.805 55.852 -1.047 19703 432 1 1 . 1 1 92 92 LEU CB C 92 40.594 40.594 42.466 -1.872 19703 433 1 1 . 1 1 92 92 LEU H H 92 8.979 8.979 8.779 0.200 19703 434 1 1 . 1 1 93 93 THR N N 93 110.385 110.385 109.065 1.320 19703 435 1 1 . 1 1 93 93 THR HA H 93 4.760 4.760 4.783 -0.023 19703 436 1 1 . 1 1 93 93 THR C C 93 176.119 176.119 174.944 1.175 19703 437 1 1 . 1 1 93 93 THR CA C 93 59.059 59.059 59.625 -0.566 19703 438 1 1 . 1 1 93 93 THR CB C 93 72.517 72.517 70.564 1.953 19703 439 1 1 . 1 1 93 93 THR H H 93 6.270 6.270 8.053 -1.783 19703 440 1 1 . 1 1 94 94 LYS N N 94 120.484 120.484 124.343 -3.859 19703 441 1 1 . 1 1 94 94 LYS HA H 94 3.684 3.684 3.990 -0.306 19703 442 1 1 . 1 1 94 94 LYS C C 94 177.634 177.634 178.106 -0.472 19703 443 1 1 . 1 1 94 94 LYS CA C 94 59.586 59.586 59.078 0.508 19703 444 1 1 . 1 1 94 94 LYS CB C 94 31.690 31.690 32.238 -0.548 19703 445 1 1 . 1 1 94 94 LYS H H 94 9.071 9.071 9.077 -0.006 19703 446 1 1 . 1 1 95 95 GLU N N 95 118.365 118.365 119.402 -1.037 19703 447 1 1 . 1 1 95 95 GLU HA H 95 3.960 3.960 4.091 -0.131 19703 448 1 1 . 1 1 95 95 GLU C C 95 176.639 176.639 177.929 -1.290 19703 449 1 1 . 1 1 95 95 GLU CA C 95 59.480 59.480 58.904 0.577 19703 450 1 1 . 1 1 95 95 GLU CB C 95 28.224 28.224 29.312 -1.088 19703 451 1 1 . 1 1 95 95 GLU H H 95 8.422 8.422 7.836 0.586 19703 452 1 1 . 1 1 96 96 LEU N N 96 116.407 116.407 119.821 -3.414 19703 453 1 1 . 1 1 96 96 LEU HA H 96 4.453 4.453 4.361 0.092 19703 454 1 1 . 1 1 96 96 LEU C C 96 174.106 174.106 176.003 -1.897 19703 455 1 1 . 1 1 96 96 LEU CA C 96 53.499 53.499 54.180 -0.681 19703 456 1 1 . 1 1 96 96 LEU CB C 96 40.899 40.899 41.362 -0.463 19703 457 1 1 . 1 1 96 96 LEU H H 96 7.727 7.727 7.542 0.185 19703 458 1 1 . 1 1 97 97 ASP N N 97 116.722 116.722 120.183 -3.461 19703 459 1 1 . 1 1 97 97 ASP HA H 97 4.012 4.012 4.338 -0.326 19703 460 1 1 . 1 1 97 97 ASP C C 97 175.803 175.803 177.749 -1.946 19703 461 1 1 . 1 1 97 97 ASP CA C 97 56.511 56.511 54.722 1.789 19703 462 1 1 . 1 1 97 97 ASP CB C 97 41.691 41.691 40.352 1.339 19703 463 1 1 . 1 1 97 97 ASP H H 97 7.046 7.046 7.992 -0.946 19703 464 1 1 . 1 1 98 98 GLY N N 98 117.545 117.545 112.847 4.698 19703 465 1 1 . 1 1 98 98 GLY C C 98 173.481 173.481 173.487 -0.006 19703 466 1 1 . 1 1 98 98 GLY CA C 98 44.602 44.602 45.305 -0.703 19703 467 1 1 . 1 1 98 98 GLY H H 98 8.957 8.957 8.441 0.516 19703 468 1 1 . 1 1 99 99 LEU N N 99 122.555 122.555 120.846 1.709 19703 469 1 1 . 1 1 99 99 LEU C C 99 173.036 173.036 176.029 -2.993 19703 470 1 1 . 1 1 99 99 LEU CA C 99 55.737 55.737 53.282 2.455 19703 471 1 1 . 1 1 99 99 LEU CB C 99 42.087 42.087 44.113 -2.026 19703 472 1 1 . 1 1 99 99 LEU H H 99 7.239 7.239 7.641 -0.402 19703 473 1 1 . 1 1 100 100 CYS N N 100 121.421 121.421 120.338 1.083 19703 474 1 1 . 1 1 100 100 CYS HA H 100 5.219 5.219 4.920 0.299 19703 475 1 1 . 1 1 100 100 CYS C C 100 172.184 172.184 174.302 -2.118 19703 476 1 1 . 1 1 100 100 CYS CA C 100 54.042 54.042 57.002 -2.959 19703 477 1 1 . 1 1 100 100 CYS CB C 100 45.330 45.330 27.308 18.022 19703 478 1 1 . 1 1 100 100 CYS H H 100 5.355 5.355 8.404 -3.049 19703 479 1 1 . 1 1 101 101 VAL N N 101 121.510 121.510 117.600 3.910 19703 480 1 1 . 1 1 101 101 VAL HA H 101 4.435 4.435 4.749 -0.314 19703 481 1 1 . 1 1 101 101 VAL C C 101 172.314 172.314 174.274 -1.960 19703 482 1 1 . 1 1 101 101 VAL CA C 101 59.936 59.936 59.431 0.505 19703 483 1 1 . 1 1 101 101 VAL CB C 101 34.396 34.396 34.987 -0.591 19703 484 1 1 . 1 1 101 101 VAL H H 101 8.691 8.691 8.565 0.126 19703 485 1 1 . 1 1 102 102 ILE N N 102 126.427 126.427 120.583 5.844 19703 486 1 1 . 1 1 102 102 ILE HA H 102 4.505 4.505 4.266 0.239 19703 487 1 1 . 1 1 102 102 ILE C C 102 175.584 175.584 176.732 -1.148 19703 488 1 1 . 1 1 102 102 ILE CA C 102 60.603 60.603 59.637 0.966 19703 489 1 1 . 1 1 102 102 ILE CB C 102 40.383 40.383 37.549 2.834 19703 490 1 1 . 1 1 102 102 ILE H H 102 9.582 9.582 8.167 1.415 19703 491 1 1 . 1 1 103 103 LEU N N 103 127.589 127.589 125.136 2.453 19703 492 1 1 . 1 1 103 103 LEU HA H 103 4.665 4.665 4.160 0.505 19703 493 1 1 . 1 1 103 103 LEU C C 103 174.725 174.725 175.788 -1.063 19703 494 1 1 . 1 1 103 103 LEU CA C 103 52.048 52.048 53.733 -1.685 19703 495 1 1 . 1 1 103 103 LEU CB C 103 40.970 40.970 40.991 -0.021 19703 496 1 1 . 1 1 103 103 LEU H H 103 8.321 8.321 8.506 -0.185 19703 497 1 1 . 1 1 104 104 PRO HA H 104 4.306 4.306 4.372 -0.066 19703 498 1 1 . 1 1 104 104 PRO C C 104 176.389 176.389 176.929 -0.540 19703 499 1 1 . 1 1 104 104 PRO CA C 104 62.963 62.963 63.997 -1.034 19703 500 1 1 . 1 1 104 104 PRO CB C 104 32.265 32.265 31.831 0.434 19703 501 1 1 . 1 1 105 105 THR N N 105 113.257 113.257 110.312 2.945 19703 502 1 1 . 1 1 105 105 THR HA H 105 4.139 4.139 4.270 -0.131 19703 503 1 1 . 1 1 105 105 THR C C 105 174.080 174.080 174.119 -0.039 19703 504 1 1 . 1 1 105 105 THR CA C 105 62.593 62.593 61.596 0.997 19703 505 1 1 . 1 1 105 105 THR CB C 105 69.871 69.871 70.766 -0.895 19703 506 1 1 . 1 1 105 105 THR H H 105 8.108 8.108 7.720 0.388 19703 507 1 1 . 1 1 106 106 GLU N N 106 122.035 122.035 119.886 2.149 19703 508 1 1 . 1 1 106 106 GLU HA H 106 4.352 4.352 4.634 -0.282 19703 509 1 1 . 1 1 106 106 GLU C C 106 176.012 176.012 175.828 0.184 19703 510 1 1 . 1 1 106 106 GLU CA C 106 56.393 56.393 55.354 1.039 19703 511 1 1 . 1 1 106 106 GLU CB C 106 31.113 31.113 29.311 1.802 19703 512 1 1 . 1 1 106 106 GLU H H 106 8.291 8.291 8.492 -0.201 19703 513 1 1 . 1 1 107 107 THR N N 107 115.185 115.185 117.347 -2.162 19703 514 1 1 . 1 1 107 107 THR HA H 107 4.240 4.240 4.540 -0.300 19703 515 1 1 . 1 1 107 107 THR C C 107 174.345 174.345 173.478 0.867 19703 516 1 1 . 1 1 107 107 THR CA C 107 61.839 61.839 62.528 -0.689 19703 517 1 1 . 1 1 107 107 THR CB C 107 70.027 70.027 69.717 0.310 19703 518 1 1 . 1 1 107 107 THR H H 107 8.308 8.308 7.448 0.860 19703 519 1 1 . 1 1 108 108 ARG N N 108 122.789 122.789 117.952 4.837 19703 520 1 1 . 1 1 108 108 ARG HA H 108 4.133 4.133 4.705 -0.572 19703 521 1 1 . 1 1 108 108 ARG C C 108 175.543 175.543 174.326 1.217 19703 522 1 1 . 1 1 108 108 ARG CA C 108 56.088 56.088 55.384 0.704 19703 523 1 1 . 1 1 108 108 ARG CB C 108 30.906 30.906 32.524 -1.618 19703 524 1 1 . 1 1 108 108 ARG H H 108 8.289 8.289 8.255 0.034 19703 525 1 1 . 1 1 109 109 ASN N N 109 120.177 120.177 119.841 0.336 19703 526 1 1 . 1 1 109 109 ASN HA H 109 4.579 4.579 4.853 -0.274 19703 527 1 1 . 1 1 109 109 ASN C C 109 175.106 175.106 173.509 1.597 19703 528 1 1 . 1 1 109 109 ASN CA C 109 53.134 53.134 53.395 -0.261 19703 529 1 1 . 1 1 109 109 ASN CB C 109 38.735 38.735 40.416 -1.681 19703 530 1 1 . 1 1 109 109 ASN H H 109 8.365 8.365 8.897 -0.532 19703 531 1 1 . 1 1 110 110 ILE N N 110 120.936 120.936 121.087 -0.151 19703 532 1 1 . 1 1 110 110 ILE HA H 110 4.070 4.070 4.331 -0.261 19703 533 1 1 . 1 1 110 110 ILE C C 110 175.914 175.914 176.261 -0.347 19703 534 1 1 . 1 1 110 110 ILE CA C 110 61.340 61.340 61.128 0.212 19703 535 1 1 . 1 1 110 110 ILE CB C 110 38.861 38.861 39.700 -0.839 19703 536 1 1 . 1 1 110 110 ILE H H 110 7.983 7.983 8.440 -0.457 19703 537 1 1 . 1 1 111 111 SER N N 111 118.751 118.751 117.883 0.868 19703 538 1 1 . 1 1 111 111 SER HA H 111 4.340 4.340 4.336 0.004 19703 539 1 1 . 1 1 111 111 SER C C 111 173.977 173.977 174.212 -0.235 19703 540 1 1 . 1 1 111 111 SER CA C 111 58.315 58.315 58.659 -0.344 19703 541 1 1 . 1 1 111 111 SER CB C 111 63.845 63.845 63.691 0.154 19703 542 1 1 . 1 1 111 111 SER H H 111 8.176 8.176 7.839 0.337 19703 543 1 1 . 1 1 112 112 PHE N N 112 122.536 122.536 126.241 -3.705 19703 544 1 1 . 1 1 112 112 PHE HA H 112 4.555 4.555 4.729 -0.174 19703 545 1 1 . 1 1 112 112 PHE C C 112 175.282 175.282 174.649 0.633 19703 546 1 1 . 1 1 112 112 PHE CA C 112 57.743 57.743 57.833 -0.090 19703 547 1 1 . 1 1 112 112 PHE CB C 112 39.708 39.708 39.556 0.152 19703 548 1 1 . 1 1 112 112 PHE H H 112 8.118 8.118 8.093 0.025 19703 549 1 1 . 1 1 113 113 VAL N N 113 122.561 122.561 121.644 0.917 19703 550 1 1 . 1 1 113 113 VAL HA H 113 3.922 3.922 4.273 -0.351 19703 551 1 1 . 1 1 113 113 VAL C C 113 175.447 175.447 175.432 0.015 19703 552 1 1 . 1 1 113 113 VAL CA C 113 62.237 62.237 61.148 1.089 19703 553 1 1 . 1 1 113 113 VAL CB C 113 32.899 32.899 35.760 -2.861 19703 554 1 1 . 1 1 113 113 VAL H H 113 7.907 7.907 8.176 -0.269 19703 555 1 1 . 1 1 114 114 LYS N N 114 125.629 125.629 125.121 0.508 19703 556 1 1 . 1 1 114 114 LYS HA H 114 4.208 4.208 4.558 -0.350 19703 557 1 1 . 1 1 114 114 LYS C C 114 176.039 176.039 175.825 0.214 19703 558 1 1 . 1 1 114 114 LYS CA C 114 56.316 56.316 55.438 0.878 19703 559 1 1 . 1 1 114 114 LYS CB C 114 33.152 33.152 30.479 2.673 19703 560 1 1 . 1 1 114 114 LYS H H 114 8.283 8.283 8.523 -0.240 19703 561 1 1 . 1 1 115 115 ASN N N 115 121.240 121.240 121.819 -0.579 19703 562 1 1 . 1 1 115 115 ASN HA H 115 4.672 4.672 4.587 0.085 19703 563 1 1 . 1 1 115 115 ASN C C 115 174.230 174.230 175.937 -1.707 19703 564 1 1 . 1 1 115 115 ASN CA C 115 53.356 53.356 54.088 -0.732 19703 565 1 1 . 1 1 115 115 ASN CB C 115 39.079 39.079 38.939 0.140 19703 566 1 1 . 1 1 115 115 ASN H H 115 8.452 8.452 8.370 0.082 19703 567 1 2 . 1 1 2 2 PRO HA H 2 4.138 4.138 4.456 -0.318 19703 568 1 2 . 1 1 2 2 PRO C C 2 174.711 174.711 174.971 -0.260 19703 569 1 2 . 1 1 2 2 PRO CA C 2 61.918 61.918 62.860 -0.942 19703 570 1 2 . 1 1 2 2 PRO CB C 2 31.604 31.604 32.809 -1.205 19703 571 1 2 . 1 1 3 3 LEU N N 3 122.430 122.430 119.180 3.250 19703 572 1 2 . 1 1 3 3 LEU HA H 3 4.840 4.840 4.562 0.278 19703 573 1 2 . 1 1 3 3 LEU C C 3 176.954 176.954 175.063 1.891 19703 574 1 2 . 1 1 3 3 LEU CA C 3 53.697 53.697 54.067 -0.370 19703 575 1 2 . 1 1 3 3 LEU CB C 3 42.404 42.404 45.274 -2.870 19703 576 1 2 . 1 1 3 3 LEU H H 3 8.745 8.745 8.080 0.665 19703 577 1 2 . 1 1 4 4 ILE N N 4 125.237 125.237 123.719 1.518 19703 578 1 2 . 1 1 4 4 ILE HA H 4 4.465 4.465 4.357 0.108 19703 579 1 2 . 1 1 4 4 ILE C C 4 174.949 174.949 175.128 -0.179 19703 580 1 2 . 1 1 4 4 ILE CA C 4 57.967 57.967 58.431 -0.464 19703 581 1 2 . 1 1 4 4 ILE CB C 4 38.795 38.795 38.801 -0.006 19703 582 1 2 . 1 1 4 4 ILE H H 4 8.824 8.824 7.878 0.946 19703 583 1 2 . 1 1 5 5 THR N N 5 124.237 124.237 123.903 0.334 19703 584 1 2 . 1 1 5 5 THR HA H 5 5.133 5.133 4.218 0.915 19703 585 1 2 . 1 1 5 5 THR C C 5 172.705 172.705 173.726 -1.021 19703 586 1 2 . 1 1 5 5 THR CA C 5 61.945 61.945 63.197 -1.252 19703 587 1 2 . 1 1 5 5 THR CB C 5 70.736 70.736 68.947 1.789 19703 588 1 2 . 1 1 5 5 THR H H 5 8.802 8.802 8.000 0.802 19703 589 1 2 . 1 1 6 6 PHE N N 6 124.358 124.358 127.906 -3.548 19703 590 1 2 . 1 1 6 6 PHE HA H 6 5.244 5.244 5.379 -0.135 19703 591 1 2 . 1 1 6 6 PHE C C 6 176.172 176.172 175.712 0.460 19703 592 1 2 . 1 1 6 6 PHE CA C 6 56.309 56.309 55.217 1.092 19703 593 1 2 . 1 1 6 6 PHE CB C 6 42.111 42.111 39.733 2.377 19703 594 1 2 . 1 1 6 6 PHE H H 6 9.239 9.239 8.208 1.031 19703 595 1 2 . 1 1 7 7 ILE N N 7 126.251 126.251 124.540 1.711 19703 596 1 2 . 1 1 7 7 ILE HA H 7 4.847 4.847 4.579 0.268 19703 597 1 2 . 1 1 7 7 ILE C C 7 176.608 176.608 175.950 0.658 19703 598 1 2 . 1 1 7 7 ILE CA C 7 60.317 60.317 60.639 -0.322 19703 599 1 2 . 1 1 7 7 ILE CB C 7 38.252 38.252 39.402 -1.150 19703 600 1 2 . 1 1 7 7 ILE H H 7 9.509 9.509 8.094 1.415 19703 601 1 2 . 1 1 8 8 SER N N 8 124.211 124.211 120.456 3.755 19703 602 1 2 . 1 1 8 8 SER C C 8 174.143 174.143 174.533 -0.390 19703 603 1 2 . 1 1 8 8 SER CA C 8 59.506 59.506 56.209 3.297 19703 604 1 2 . 1 1 8 8 SER CB C 8 62.938 62.938 63.542 -0.604 19703 605 1 2 . 1 1 8 8 SER H H 8 8.880 8.880 7.867 1.013 19703 606 1 2 . 1 1 9 9 PRO HA H 9 4.326 4.326 4.534 -0.208 19703 607 1 2 . 1 1 9 9 PRO C C 9 176.530 176.530 176.166 0.364 19703 608 1 2 . 1 1 9 9 PRO CA C 9 65.685 65.685 64.966 0.719 19703 609 1 2 . 1 1 9 9 PRO CB C 9 31.920 31.920 31.829 0.090 19703 610 1 2 . 1 1 10 10 ASP N N 10 113.865 113.865 116.929 -3.064 19703 611 1 2 . 1 1 10 10 ASP HA H 10 4.413 4.413 4.594 -0.181 19703 612 1 2 . 1 1 10 10 ASP C C 10 177.083 177.083 176.647 0.436 19703 613 1 2 . 1 1 10 10 ASP CA C 10 53.302 53.302 54.252 -0.950 19703 614 1 2 . 1 1 10 10 ASP CB C 10 39.571 39.571 40.589 -1.018 19703 615 1 2 . 1 1 10 10 ASP H H 10 7.667 7.667 8.491 -0.824 19703 616 1 2 . 1 1 11 11 GLY N N 11 109.808 109.808 106.747 3.061 19703 617 1 2 . 1 1 11 11 GLY C C 11 174.638 174.638 174.166 0.472 19703 618 1 2 . 1 1 11 11 GLY CA C 11 44.844 44.844 44.862 -0.018 19703 619 1 2 . 1 1 11 11 GLY H H 11 8.538 8.538 7.710 0.828 19703 620 1 2 . 1 1 12 12 SER N N 12 118.381 118.381 115.056 3.325 19703 621 1 2 . 1 1 12 12 SER HA H 12 4.224 4.224 4.704 -0.480 19703 622 1 2 . 1 1 12 12 SER C C 12 172.370 172.370 173.266 -0.896 19703 623 1 2 . 1 1 12 12 SER CA C 12 59.344 59.344 57.115 2.229 19703 624 1 2 . 1 1 12 12 SER CB C 12 63.909 63.909 64.111 -0.202 19703 625 1 2 . 1 1 12 12 SER H H 12 8.233 8.233 8.050 0.183 19703 626 1 2 . 1 1 13 13 ARG N N 13 119.429 119.429 118.262 1.167 19703 627 1 2 . 1 1 13 13 ARG HA H 13 5.322 5.322 5.216 0.106 19703 628 1 2 . 1 1 13 13 ARG C C 13 175.622 175.622 175.172 0.450 19703 629 1 2 . 1 1 13 13 ARG CA C 13 54.652 54.652 55.191 -0.539 19703 630 1 2 . 1 1 13 13 ARG CB C 13 33.616 33.616 32.764 0.852 19703 631 1 2 . 1 1 13 13 ARG H H 13 8.386 8.386 8.272 0.114 19703 632 1 2 . 1 1 14 14 LYS N N 14 122.872 122.872 123.644 -0.772 19703 633 1 2 . 1 1 14 14 LYS HA H 14 4.409 4.409 4.968 -0.559 19703 634 1 2 . 1 1 14 14 LYS C C 14 173.900 173.900 175.450 -1.550 19703 635 1 2 . 1 1 14 14 LYS CA C 14 55.236 55.236 55.251 -0.015 19703 636 1 2 . 1 1 14 14 LYS CB C 14 37.200 37.200 36.180 1.020 19703 637 1 2 . 1 1 14 14 LYS H H 14 8.313 8.313 9.097 -0.784 19703 638 1 2 . 1 1 15 15 THR N N 15 119.577 119.577 119.779 -0.202 19703 639 1 2 . 1 1 15 15 THR HA H 15 5.021 5.021 4.657 0.364 19703 640 1 2 . 1 1 15 15 THR C C 15 173.125 173.125 173.424 -0.299 19703 641 1 2 . 1 1 15 15 THR CA C 15 61.744 61.744 61.999 -0.255 19703 642 1 2 . 1 1 15 15 THR CB C 15 70.674 70.674 69.172 1.502 19703 643 1 2 . 1 1 15 15 THR H H 15 8.058 8.058 8.577 -0.519 19703 644 1 2 . 1 1 16 16 TYR N N 16 124.739 124.739 125.348 -0.609 19703 645 1 2 . 1 1 16 16 TYR HA H 16 4.793 4.793 4.733 0.060 19703 646 1 2 . 1 1 16 16 TYR C C 16 174.110 174.110 174.405 -0.295 19703 647 1 2 . 1 1 16 16 TYR CA C 16 56.177 56.177 57.706 -1.530 19703 648 1 2 . 1 1 16 16 TYR CB C 16 43.856 43.856 42.678 1.178 19703 649 1 2 . 1 1 16 16 TYR H H 16 9.192 9.192 7.958 1.234 19703 650 1 2 . 1 1 17 17 GLU N N 17 120.492 120.492 125.118 -4.626 19703 651 1 2 . 1 1 17 17 GLU HA H 17 4.402 4.402 4.452 -0.050 19703 652 1 2 . 1 1 17 17 GLU C C 17 175.431 175.431 175.173 0.258 19703 653 1 2 . 1 1 17 17 GLU CA C 17 55.885 55.885 57.279 -1.394 19703 654 1 2 . 1 1 17 17 GLU CB C 17 30.772 30.772 29.916 0.856 19703 655 1 2 . 1 1 17 17 GLU H H 17 8.485 8.485 8.779 -0.294 19703 656 1 2 . 1 1 18 18 ALA N N 18 127.314 127.314 126.530 0.784 19703 657 1 2 . 1 1 18 18 ALA HA H 18 4.289 4.289 4.884 -0.595 19703 658 1 2 . 1 1 18 18 ALA C C 18 176.561 176.561 175.565 0.996 19703 659 1 2 . 1 1 18 18 ALA CA C 18 50.368 50.368 50.886 -0.518 19703 660 1 2 . 1 1 18 18 ALA CB C 18 22.174 22.174 21.640 0.534 19703 661 1 2 . 1 1 18 18 ALA H H 18 8.394 8.394 7.961 0.433 19703 662 1 2 . 1 1 19 19 TYR N N 19 118.845 118.845 117.451 1.394 19703 663 1 2 . 1 1 19 19 TYR HA H 19 4.698 4.698 4.663 0.035 19703 664 1 2 . 1 1 19 19 TYR C C 19 175.697 175.697 174.416 1.281 19703 665 1 2 . 1 1 19 19 TYR CA C 19 55.217 55.217 56.877 -1.660 19703 666 1 2 . 1 1 19 19 TYR CB C 19 38.407 38.407 42.151 -3.744 19703 667 1 2 . 1 1 19 19 TYR H H 19 8.588 8.588 8.773 -0.185 19703 668 1 2 . 1 1 20 20 ASP N N 20 121.106 121.106 121.135 -0.029 19703 669 1 2 . 1 1 20 20 ASP HA H 20 4.176 4.176 4.764 -0.588 19703 670 1 2 . 1 1 20 20 ASP C C 20 176.460 176.460 176.220 0.240 19703 671 1 2 . 1 1 20 20 ASP CA C 20 55.993 55.993 55.008 0.985 19703 672 1 2 . 1 1 20 20 ASP CB C 20 41.290 41.290 39.766 1.524 19703 673 1 2 . 1 1 20 20 ASP H H 20 8.280 8.280 8.670 -0.390 19703 674 1 2 . 1 1 21 21 GLY N N 21 115.001 115.001 113.379 1.622 19703 675 1 2 . 1 1 21 21 GLY C C 21 173.948 173.948 174.077 -0.129 19703 676 1 2 . 1 1 21 21 GLY CA C 21 45.288 45.288 45.787 -0.499 19703 677 1 2 . 1 1 21 21 GLY H H 21 9.011 9.011 8.489 0.522 19703 678 1 2 . 1 1 22 22 GLU N N 22 121.980 121.980 120.223 1.757 19703 679 1 2 . 1 1 22 22 GLU HA H 22 4.517 4.517 4.442 0.075 19703 680 1 2 . 1 1 22 22 GLU C C 22 175.114 175.114 175.797 -0.683 19703 681 1 2 . 1 1 22 22 GLU CA C 22 55.077 55.077 55.549 -0.472 19703 682 1 2 . 1 1 22 22 GLU CB C 22 30.747 30.747 30.585 0.162 19703 683 1 2 . 1 1 22 22 GLU H H 22 7.856 7.856 7.848 0.008 19703 684 1 2 . 1 1 23 23 THR N N 23 110.390 110.390 119.191 -8.801 19703 685 1 2 . 1 1 23 23 THR HA H 23 5.382 5.382 4.333 1.049 19703 686 1 2 . 1 1 23 23 THR C C 23 176.857 176.857 175.739 1.118 19703 687 1 2 . 1 1 23 23 THR CA C 23 60.549 60.549 61.521 -0.972 19703 688 1 2 . 1 1 23 23 THR CB C 23 72.554 72.554 70.085 2.469 19703 689 1 2 . 1 1 23 23 THR H H 23 8.234 8.234 8.435 -0.201 19703 690 1 2 . 1 1 24 24 LEU N N 24 120.243 120.243 124.159 -3.916 19703 691 1 2 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.076 -0.054 19703 692 1 2 . 1 1 24 24 LEU C C 24 178.102 178.102 178.400 -0.298 19703 693 1 2 . 1 1 24 24 LEU CA C 24 58.076 58.076 57.114 0.962 19703 694 1 2 . 1 1 24 24 LEU CB C 24 41.982 41.982 41.290 0.692 19703 695 1 2 . 1 1 24 24 LEU H H 24 8.410 8.410 8.943 -0.533 19703 696 1 2 . 1 1 25 25 LEU N N 25 116.005 116.005 118.091 -2.086 19703 697 1 2 . 1 1 25 25 LEU HA H 25 3.772 3.772 3.776 -0.004 19703 698 1 2 . 1 1 25 25 LEU C C 25 176.517 176.517 179.360 -2.843 19703 699 1 2 . 1 1 25 25 LEU CA C 25 57.593 57.593 57.952 -0.359 19703 700 1 2 . 1 1 25 25 LEU CB C 25 42.559 42.559 41.171 1.388 19703 701 1 2 . 1 1 25 25 LEU H H 25 6.645 6.645 7.412 -0.767 19703 702 1 2 . 1 1 26 26 SER N N 26 115.141 115.141 114.226 0.915 19703 703 1 2 . 1 1 26 26 SER HA H 26 4.061 4.061 3.557 0.504 19703 704 1 2 . 1 1 26 26 SER C C 26 177.287 177.287 176.535 0.752 19703 705 1 2 . 1 1 26 26 SER CA C 26 61.413 61.413 60.938 0.475 19703 706 1 2 . 1 1 26 26 SER CB C 26 62.377 62.377 62.640 -0.263 19703 707 1 2 . 1 1 26 26 SER H H 26 7.847 7.847 7.625 0.222 19703 708 1 2 . 1 1 27 27 LEU N N 27 122.244 122.244 122.753 -0.509 19703 709 1 2 . 1 1 27 27 LEU HA H 27 3.837 3.837 4.074 -0.237 19703 710 1 2 . 1 1 27 27 LEU C C 27 179.116 179.116 177.746 1.370 19703 711 1 2 . 1 1 27 27 LEU CA C 27 58.435 58.435 57.764 0.671 19703 712 1 2 . 1 1 27 27 LEU CB C 27 41.586 41.586 41.907 -0.321 19703 713 1 2 . 1 1 27 27 LEU H H 27 7.869 7.869 7.152 0.717 19703 714 1 2 . 1 1 28 28 ALA N N 28 120.875 120.875 120.054 0.821 19703 715 1 2 . 1 1 28 28 ALA HA H 28 3.278 3.278 3.901 -0.623 19703 716 1 2 . 1 1 28 28 ALA C C 28 179.545 179.545 179.629 -0.084 19703 717 1 2 . 1 1 28 28 ALA CA C 28 54.696 54.696 54.979 -0.283 19703 718 1 2 . 1 1 28 28 ALA CB C 28 18.423 18.423 17.822 0.601 19703 719 1 2 . 1 1 28 28 ALA H H 28 8.002 8.002 7.698 0.304 19703 720 1 2 . 1 1 29 29 HIS N N 29 117.818 117.818 117.418 0.400 19703 721 1 2 . 1 1 29 29 HIS HA H 29 4.538 4.538 4.212 0.327 19703 722 1 2 . 1 1 29 29 HIS C C 29 178.985 178.985 177.901 1.084 19703 723 1 2 . 1 1 29 29 HIS CA C 29 57.620 57.620 58.438 -0.818 19703 724 1 2 . 1 1 29 29 HIS CB C 29 28.961 28.961 29.951 -0.990 19703 725 1 2 . 1 1 29 29 HIS H H 29 8.587 8.587 7.562 1.025 19703 726 1 2 . 1 1 30 30 ARG N N 30 118.408 118.408 117.451 0.957 19703 727 1 2 . 1 1 30 30 ARG HA H 30 4.111 4.111 4.067 0.044 19703 728 1 2 . 1 1 30 30 ARG C C 30 176.361 176.361 177.628 -1.267 19703 729 1 2 . 1 1 30 30 ARG CA C 30 58.818 58.818 58.767 0.052 19703 730 1 2 . 1 1 30 30 ARG CB C 30 30.001 30.001 29.894 0.107 19703 731 1 2 . 1 1 30 30 ARG H H 30 8.264 8.264 7.635 0.629 19703 732 1 2 . 1 1 31 31 ASN N N 31 114.401 114.401 116.815 -2.414 19703 733 1 2 . 1 1 31 31 ASN HA H 31 4.578 4.578 4.769 -0.191 19703 734 1 2 . 1 1 31 31 ASN C C 31 172.703 172.703 174.941 -2.238 19703 735 1 2 . 1 1 31 31 ASN CA C 31 53.405 53.405 54.675 -1.270 19703 736 1 2 . 1 1 31 31 ASN CB C 31 40.339 40.339 39.772 0.567 19703 737 1 2 . 1 1 31 31 ASN H H 31 6.906 6.906 8.329 -1.423 19703 738 1 2 . 1 1 32 32 ASN N N 32 114.697 114.697 114.951 -0.254 19703 739 1 2 . 1 1 32 32 ASN HA H 32 4.232 4.232 4.354 -0.122 19703 740 1 2 . 1 1 32 32 ASN C C 32 174.118 174.118 173.725 0.393 19703 741 1 2 . 1 1 32 32 ASN CA C 32 54.845 54.845 53.982 0.863 19703 742 1 2 . 1 1 32 32 ASN CB C 32 36.966 36.966 36.525 0.441 19703 743 1 2 . 1 1 32 32 ASN H H 32 7.637 7.637 8.083 -0.446 19703 744 1 2 . 1 1 33 33 VAL N N 33 119.649 119.649 119.895 -0.246 19703 745 1 2 . 1 1 33 33 VAL HA H 33 3.508 3.508 4.200 -0.692 19703 746 1 2 . 1 1 33 33 VAL C C 33 176.639 176.639 174.753 1.886 19703 747 1 2 . 1 1 33 33 VAL CA C 33 62.163 62.163 60.329 1.834 19703 748 1 2 . 1 1 33 33 VAL CB C 33 31.566 31.566 33.719 -2.153 19703 749 1 2 . 1 1 33 33 VAL H H 33 8.003 8.003 7.597 0.406 19703 750 1 2 . 1 1 34 34 ASP N N 34 128.347 128.347 126.515 1.832 19703 751 1 2 . 1 1 34 34 ASP HA H 34 4.381 4.381 4.824 -0.443 19703 752 1 2 . 1 1 34 34 ASP C C 34 172.933 172.933 175.459 -2.526 19703 753 1 2 . 1 1 34 34 ASP CA C 34 54.311 54.311 53.975 0.336 19703 754 1 2 . 1 1 34 34 ASP CB C 34 39.063 39.063 40.912 -1.849 19703 755 1 2 . 1 1 34 34 ASP H H 34 8.469 8.469 8.441 0.028 19703 756 1 2 . 1 1 35 35 LEU N N 35 127.456 127.456 122.339 5.117 19703 757 1 2 . 1 1 35 35 LEU HA H 35 4.391 4.391 4.793 -0.402 19703 758 1 2 . 1 1 35 35 LEU C C 35 174.747 174.747 177.357 -2.610 19703 759 1 2 . 1 1 35 35 LEU CA C 35 54.105 54.105 53.189 0.916 19703 760 1 2 . 1 1 35 35 LEU H H 35 7.864 7.864 7.872 -0.008 19703 761 1 2 . 1 1 49 49 HIS HA H 49 4.857 4.857 4.495 0.362 19703 762 1 2 . 1 1 49 49 HIS C C 49 173.176 173.176 174.152 -0.976 19703 763 1 2 . 1 1 49 49 HIS CA C 49 55.342 55.342 56.922 -1.580 19703 764 1 2 . 1 1 49 49 HIS CB C 49 29.958 29.958 28.325 1.633 19703 765 1 2 . 1 1 50 50 VAL N N 50 119.554 119.554 119.738 -0.184 19703 766 1 2 . 1 1 50 50 VAL HA H 50 4.327 4.327 4.435 -0.108 19703 767 1 2 . 1 1 50 50 VAL C C 50 172.122 172.122 173.633 -1.511 19703 768 1 2 . 1 1 50 50 VAL CA C 50 59.245 59.245 59.610 -0.365 19703 769 1 2 . 1 1 50 50 VAL CB C 50 35.976 35.976 35.683 0.293 19703 770 1 2 . 1 1 50 50 VAL H H 50 9.210 9.210 7.823 1.387 19703 771 1 2 . 1 1 51 51 ILE N N 51 121.739 121.739 122.175 -0.436 19703 772 1 2 . 1 1 51 51 ILE HA H 51 4.021 4.021 4.434 -0.413 19703 773 1 2 . 1 1 51 51 ILE C C 51 175.868 175.868 173.762 2.106 19703 774 1 2 . 1 1 51 51 ILE CA C 51 61.108 61.108 60.578 0.530 19703 775 1 2 . 1 1 51 51 ILE CB C 51 39.340 39.340 38.361 0.979 19703 776 1 2 . 1 1 51 51 ILE H H 51 8.279 8.279 8.342 -0.063 19703 777 1 2 . 1 1 52 52 ILE N N 52 126.048 126.048 123.518 2.530 19703 778 1 2 . 1 1 52 52 ILE HA H 52 4.027 4.027 4.517 -0.490 19703 779 1 2 . 1 1 52 52 ILE C C 52 176.343 176.343 174.693 1.650 19703 780 1 2 . 1 1 52 52 ILE CA C 52 58.856 58.856 58.261 0.595 19703 781 1 2 . 1 1 52 52 ILE CB C 52 35.576 35.576 40.853 -5.277 19703 782 1 2 . 1 1 52 52 ILE H H 52 8.454 8.454 7.811 0.643 19703 783 1 2 . 1 1 53 53 ASP N N 53 127.679 127.679 118.030 9.649 19703 784 1 2 . 1 1 53 53 ASP C C 53 176.811 176.811 176.714 0.097 19703 785 1 2 . 1 1 53 53 ASP CA C 53 54.125 54.125 52.888 1.237 19703 786 1 2 . 1 1 53 53 ASP CB C 53 44.609 44.609 40.169 4.440 19703 787 1 2 . 1 1 53 53 ASP H H 53 7.698 7.698 8.348 -0.650 19703 788 1 2 . 1 1 54 54 PRO HA H 54 4.188 4.188 4.407 -0.219 19703 789 1 2 . 1 1 54 54 PRO C C 54 178.175 178.175 178.325 -0.150 19703 790 1 2 . 1 1 54 54 PRO CA C 54 66.346 66.346 64.961 1.385 19703 791 1 2 . 1 1 54 54 PRO CB C 54 32.210 32.210 32.079 0.131 19703 792 1 2 . 1 1 55 55 SER N N 55 113.470 113.470 113.475 -0.005 19703 793 1 2 . 1 1 55 55 SER HA H 55 4.282 4.282 4.476 -0.194 19703 794 1 2 . 1 1 55 55 SER C C 55 174.884 174.884 175.467 -0.583 19703 795 1 2 . 1 1 55 55 SER CA C 55 61.090 61.090 60.741 0.349 19703 796 1 2 . 1 1 55 55 SER CB C 55 62.971 62.971 62.859 0.112 19703 797 1 2 . 1 1 55 55 SER H H 55 8.853 8.853 8.558 0.295 19703 798 1 2 . 1 1 56 56 TRP N N 56 120.568 120.568 120.412 0.156 19703 799 1 2 . 1 1 56 56 TRP HA H 56 4.467 4.467 4.811 -0.344 19703 800 1 2 . 1 1 56 56 TRP C C 56 176.386 176.386 177.331 -0.945 19703 801 1 2 . 1 1 56 56 TRP CA C 56 58.465 58.465 57.849 0.616 19703 802 1 2 . 1 1 56 56 TRP CB C 56 33.371 33.371 30.077 3.294 19703 803 1 2 . 1 1 56 56 TRP H H 56 8.656 8.656 7.749 0.907 19703 804 1 2 . 1 1 57 57 TYR N N 57 121.686 121.686 122.813 -1.127 19703 805 1 2 . 1 1 57 57 TYR HA H 57 3.716 3.716 4.007 -0.291 19703 806 1 2 . 1 1 57 57 TYR C C 57 176.621 176.621 177.274 -0.653 19703 807 1 2 . 1 1 57 57 TYR CA C 57 64.137 64.137 62.196 1.941 19703 808 1 2 . 1 1 57 57 TYR CB C 57 38.967 38.967 38.393 0.574 19703 809 1 2 . 1 1 57 57 TYR H H 57 7.329 7.329 8.183 -0.854 19703 810 1 2 . 1 1 58 58 ASP N N 58 119.983 119.983 118.901 1.082 19703 811 1 2 . 1 1 58 58 ASP HA H 58 4.390 4.390 4.162 0.228 19703 812 1 2 . 1 1 58 58 ASP C C 58 178.509 178.509 178.649 -0.140 19703 813 1 2 . 1 1 58 58 ASP CA C 58 57.914 57.914 57.447 0.467 19703 814 1 2 . 1 1 58 58 ASP CB C 58 39.741 39.741 40.607 -0.866 19703 815 1 2 . 1 1 58 58 ASP H H 58 9.033 9.033 7.984 1.049 19703 816 1 2 . 1 1 59 59 ILE N N 59 122.534 122.534 119.473 3.061 19703 817 1 2 . 1 1 59 59 ILE HA H 59 3.809 3.809 3.822 -0.013 19703 818 1 2 . 1 1 59 59 ILE C C 59 178.418 178.418 178.051 0.367 19703 819 1 2 . 1 1 59 59 ILE CA C 59 64.650 64.650 64.361 0.289 19703 820 1 2 . 1 1 59 59 ILE CB C 59 38.514 38.514 38.145 0.369 19703 821 1 2 . 1 1 59 59 ILE H H 59 7.894 7.894 7.090 0.804 19703 822 1 2 . 1 1 60 60 VAL N N 60 118.811 118.811 116.735 2.076 19703 823 1 2 . 1 1 60 60 VAL HA H 60 3.459 3.459 3.661 -0.202 19703 824 1 2 . 1 1 60 60 VAL C C 60 178.294 178.294 177.852 0.442 19703 825 1 2 . 1 1 60 60 VAL CA C 60 67.819 67.819 66.743 1.076 19703 826 1 2 . 1 1 60 60 VAL CB C 60 31.268 31.268 31.478 -0.210 19703 827 1 2 . 1 1 60 60 VAL H H 60 8.265 8.265 8.471 -0.206 19703 828 1 2 . 1 1 61 61 GLU N N 61 121.332 121.332 119.522 1.810 19703 829 1 2 . 1 1 61 61 GLU HA H 61 3.625 3.625 3.991 -0.366 19703 830 1 2 . 1 1 61 61 GLU C C 61 177.407 177.407 177.960 -0.553 19703 831 1 2 . 1 1 61 61 GLU CA C 61 59.055 59.055 58.614 0.441 19703 832 1 2 . 1 1 61 61 GLU CB C 61 28.425 28.425 29.642 -1.217 19703 833 1 2 . 1 1 61 61 GLU H H 61 8.036 8.036 7.922 0.114 19703 834 1 2 . 1 1 62 62 GLN N N 62 117.653 117.653 116.781 0.872 19703 835 1 2 . 1 1 62 62 GLN HA H 62 3.734 3.734 4.208 -0.474 19703 836 1 2 . 1 1 62 62 GLN C C 62 177.586 177.586 177.639 -0.053 19703 837 1 2 . 1 1 62 62 GLN CA C 62 58.476 58.476 57.613 0.863 19703 838 1 2 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.896 -0.796 19703 839 1 2 . 1 1 62 62 GLN H H 62 7.912 7.912 7.444 0.468 19703 840 1 2 . 1 1 63 63 HIS N N 63 113.347 113.347 117.607 -4.260 19703 841 1 2 . 1 1 63 63 HIS HA H 63 4.438 4.438 4.451 -0.013 19703 842 1 2 . 1 1 63 63 HIS C C 63 177.626 177.626 175.377 2.249 19703 843 1 2 . 1 1 63 63 HIS CA C 63 56.824 56.824 58.735 -1.911 19703 844 1 2 . 1 1 63 63 HIS CB C 63 31.805 31.805 30.192 1.613 19703 845 1 2 . 1 1 63 63 HIS H H 63 6.929 6.929 8.418 -1.489 19703 846 1 2 . 1 1 64 64 ASN N N 64 121.506 121.506 117.325 4.181 19703 847 1 2 . 1 1 64 64 ASN HA H 64 5.081 5.081 4.920 0.161 19703 848 1 2 . 1 1 64 64 ASN C C 64 172.577 172.577 174.550 -1.973 19703 849 1 2 . 1 1 64 64 ASN CA C 64 52.317 52.317 51.975 0.342 19703 850 1 2 . 1 1 64 64 ASN CB C 64 40.113 40.113 40.082 0.031 19703 851 1 2 . 1 1 64 64 ASN H H 64 7.875 7.875 7.700 0.175 19703 852 1 2 . 1 1 65 65 GLU N N 65 126.101 126.101 123.732 2.369 19703 853 1 2 . 1 1 65 65 GLU HA H 65 4.132 4.132 4.180 -0.048 19703 854 1 2 . 1 1 65 65 GLU C C 65 176.297 176.297 175.882 0.415 19703 855 1 2 . 1 1 65 65 GLU CA C 65 57.575 57.575 56.553 1.022 19703 856 1 2 . 1 1 65 65 GLU CB C 65 30.195 30.195 30.111 0.084 19703 857 1 2 . 1 1 65 65 GLU H H 65 8.791 8.791 8.581 0.210 19703 858 1 2 . 1 1 66 66 ILE N N 66 125.274 125.274 117.805 7.469 19703 859 1 2 . 1 1 66 66 ILE HA H 66 3.995 3.995 4.491 -0.496 19703 860 1 2 . 1 1 66 66 ILE C C 66 176.257 176.257 175.567 0.690 19703 861 1 2 . 1 1 66 66 ILE CA C 66 62.046 62.046 60.003 2.043 19703 862 1 2 . 1 1 66 66 ILE CB C 66 37.899 37.899 39.553 -1.654 19703 863 1 2 . 1 1 66 66 ILE H H 66 8.973 8.973 8.148 0.825 19703 864 1 2 . 1 1 67 67 SER N N 67 125.487 125.487 119.136 6.351 19703 865 1 2 . 1 1 67 67 SER HA H 67 4.439 4.439 4.508 -0.069 19703 866 1 2 . 1 1 67 67 SER C C 67 174.736 174.736 175.153 -0.417 19703 867 1 2 . 1 1 67 67 SER CA C 67 58.127 58.127 58.067 0.060 19703 868 1 2 . 1 1 67 67 SER CB C 67 66.057 66.057 64.606 1.451 19703 869 1 2 . 1 1 67 67 SER H H 67 8.585 8.585 8.295 0.290 19703 870 1 2 . 1 1 68 68 ASP N N 68 122.043 122.043 121.336 0.707 19703 871 1 2 . 1 1 68 68 ASP HA H 68 4.309 4.309 4.386 -0.077 19703 872 1 2 . 1 1 68 68 ASP C C 68 178.298 178.298 177.630 0.668 19703 873 1 2 . 1 1 68 68 ASP CA C 68 57.596 57.596 57.218 0.378 19703 874 1 2 . 1 1 68 68 ASP CB C 68 40.548 40.548 40.856 -0.308 19703 875 1 2 . 1 1 68 68 ASP H H 68 8.929 8.929 8.807 0.122 19703 876 1 2 . 1 1 69 69 GLU N N 69 118.225 118.225 118.386 -0.161 19703 877 1 2 . 1 1 69 69 GLU HA H 69 3.960 3.960 4.093 -0.133 19703 878 1 2 . 1 1 69 69 GLU C C 69 178.938 178.938 178.584 0.354 19703 879 1 2 . 1 1 69 69 GLU CA C 69 60.728 60.728 58.873 1.855 19703 880 1 2 . 1 1 69 69 GLU CB C 69 29.492 29.492 28.886 0.606 19703 881 1 2 . 1 1 69 69 GLU H H 69 8.852 8.852 8.372 0.480 19703 882 1 2 . 1 1 70 70 GLU N N 70 121.051 121.051 121.481 -0.430 19703 883 1 2 . 1 1 70 70 GLU HA H 70 3.820 3.820 4.096 -0.276 19703 884 1 2 . 1 1 70 70 GLU C C 70 177.857 177.857 178.677 -0.820 19703 885 1 2 . 1 1 70 70 GLU CA C 70 59.443 59.443 59.251 0.192 19703 886 1 2 . 1 1 70 70 GLU CB C 70 28.344 28.344 29.228 -0.884 19703 887 1 2 . 1 1 70 70 GLU H H 70 7.923 7.923 8.406 -0.483 19703 888 1 2 . 1 1 71 71 ASN N N 71 118.461 118.461 116.371 2.090 19703 889 1 2 . 1 1 71 71 ASN HA H 71 4.360 4.360 4.414 -0.054 19703 890 1 2 . 1 1 71 71 ASN C C 71 177.621 177.621 177.041 0.580 19703 891 1 2 . 1 1 71 71 ASN CA C 71 56.919 56.919 55.901 1.018 19703 892 1 2 . 1 1 71 71 ASN CB C 71 38.688 38.688 38.677 0.011 19703 893 1 2 . 1 1 71 71 ASN H H 71 7.988 7.988 8.273 -0.285 19703 894 1 2 . 1 1 72 72 ASP N N 72 118.807 118.807 119.782 -0.975 19703 895 1 2 . 1 1 72 72 ASP HA H 72 4.249 4.249 4.517 -0.268 19703 896 1 2 . 1 1 72 72 ASP C C 72 178.772 178.772 178.545 0.227 19703 897 1 2 . 1 1 72 72 ASP CA C 72 57.507 57.507 56.659 0.848 19703 898 1 2 . 1 1 72 72 ASP CB C 72 40.932 40.932 41.335 -0.403 19703 899 1 2 . 1 1 72 72 ASP H H 72 8.129 8.129 7.480 0.649 19703 900 1 2 . 1 1 73 73 MET N N 73 117.610 117.610 120.279 -2.669 19703 901 1 2 . 1 1 73 73 MET HA H 73 4.415 4.415 4.206 0.209 19703 902 1 2 . 1 1 73 73 MET C C 73 180.694 180.694 178.459 2.235 19703 903 1 2 . 1 1 73 73 MET CA C 73 56.144 56.144 57.796 -1.652 19703 904 1 2 . 1 1 73 73 MET CB C 73 34.126 34.126 32.496 1.630 19703 905 1 2 . 1 1 73 73 MET H H 73 7.523 7.523 8.179 -0.656 19703 906 1 2 . 1 1 74 74 LEU N N 74 123.258 123.258 121.175 2.083 19703 907 1 2 . 1 1 74 74 LEU HA H 74 3.768 3.768 3.981 -0.213 19703 908 1 2 . 1 1 74 74 LEU C C 74 178.471 178.471 178.270 0.201 19703 909 1 2 . 1 1 74 74 LEU CA C 74 57.865 57.865 58.515 -0.650 19703 910 1 2 . 1 1 74 74 LEU CB C 74 41.013 41.013 41.757 -0.744 19703 911 1 2 . 1 1 74 74 LEU H H 74 8.850 8.850 7.978 0.872 19703 912 1 2 . 1 1 75 75 ASP N N 75 115.491 115.491 118.917 -3.426 19703 913 1 2 . 1 1 75 75 ASP HA H 75 4.320 4.320 4.502 -0.182 19703 914 1 2 . 1 1 75 75 ASP C C 75 177.521 177.521 177.442 0.079 19703 915 1 2 . 1 1 75 75 ASP CA C 75 57.000 57.000 56.540 0.460 19703 916 1 2 . 1 1 75 75 ASP CB C 75 41.163 41.163 40.996 0.167 19703 917 1 2 . 1 1 75 75 ASP H H 75 7.439 7.439 8.027 -0.588 19703 918 1 2 . 1 1 76 76 LEU N N 76 116.660 116.660 119.254 -2.594 19703 919 1 2 . 1 1 76 76 LEU HA H 76 4.280 4.280 4.487 -0.207 19703 920 1 2 . 1 1 76 76 LEU C C 76 177.224 177.224 176.303 0.921 19703 921 1 2 . 1 1 76 76 LEU CA C 76 54.067 54.067 54.078 -0.011 19703 922 1 2 . 1 1 76 76 LEU CB C 76 42.211 42.211 41.478 0.732 19703 923 1 2 . 1 1 76 76 LEU H H 76 7.039 7.039 7.630 -0.591 19703 924 1 2 . 1 1 77 77 ALA N N 77 123.914 123.914 123.592 0.322 19703 925 1 2 . 1 1 77 77 ALA HA H 77 4.074 4.074 4.235 -0.161 19703 926 1 2 . 1 1 77 77 ALA C C 77 177.216 177.216 176.648 0.568 19703 927 1 2 . 1 1 77 77 ALA CA C 77 52.304 52.304 53.151 -0.847 19703 928 1 2 . 1 1 77 77 ALA CB C 77 18.204 18.204 18.291 -0.087 19703 929 1 2 . 1 1 77 77 ALA H H 77 7.736 7.736 7.422 0.314 19703 930 1 2 . 1 1 78 78 PHE N N 78 122.688 122.688 124.511 -1.823 19703 931 1 2 . 1 1 78 78 PHE HA H 78 4.415 4.415 4.640 -0.225 19703 932 1 2 . 1 1 78 78 PHE C C 78 176.460 176.460 176.568 -0.108 19703 933 1 2 . 1 1 78 78 PHE CA C 78 57.752 57.752 57.828 -0.076 19703 934 1 2 . 1 1 78 78 PHE CB C 78 39.221 39.221 41.702 -2.481 19703 935 1 2 . 1 1 78 78 PHE H H 78 8.310 8.310 7.986 0.324 19703 936 1 2 . 1 1 79 79 GLY N N 79 112.822 112.822 112.822 0.000 19703 937 1 2 . 1 1 79 79 GLY C C 79 174.510 174.510 173.242 1.268 19703 938 1 2 . 1 1 79 79 GLY CA C 79 46.279 46.279 44.861 1.418 19703 939 1 2 . 1 1 79 79 GLY H H 79 8.383 8.383 8.109 0.274 19703 940 1 2 . 1 1 80 80 LEU N N 80 118.988 118.988 122.173 -3.185 19703 941 1 2 . 1 1 80 80 LEU HA H 80 3.754 3.754 4.440 -0.686 19703 942 1 2 . 1 1 80 80 LEU C C 80 176.528 176.528 176.259 0.269 19703 943 1 2 . 1 1 80 80 LEU CA C 80 56.497 56.497 54.402 2.095 19703 944 1 2 . 1 1 80 80 LEU CB C 80 42.808 42.808 43.359 -0.552 19703 945 1 2 . 1 1 80 80 LEU H H 80 6.978 6.978 7.370 -0.392 19703 946 1 2 . 1 1 81 81 THR N N 81 118.057 118.057 112.611 5.446 19703 947 1 2 . 1 1 81 81 THR HA H 81 4.857 4.857 4.323 0.534 19703 948 1 2 . 1 1 81 81 THR C C 81 175.739 175.739 174.592 1.147 19703 949 1 2 . 1 1 81 81 THR CA C 81 60.194 60.194 60.901 -0.707 19703 950 1 2 . 1 1 81 81 THR CB C 81 73.868 73.868 70.130 3.738 19703 951 1 2 . 1 1 81 81 THR H H 81 9.176 9.176 8.307 0.869 19703 952 1 2 . 1 1 82 82 ASP N N 82 118.080 118.080 117.853 0.227 19703 953 1 2 . 1 1 82 82 ASP HA H 82 4.379 4.379 4.459 -0.080 19703 954 1 2 . 1 1 82 82 ASP C C 82 176.700 176.700 176.587 0.113 19703 955 1 2 . 1 1 82 82 ASP CA C 82 55.835 55.835 55.419 0.416 19703 956 1 2 . 1 1 82 82 ASP CB C 82 40.675 40.675 40.656 0.019 19703 957 1 2 . 1 1 82 82 ASP H H 82 8.679 8.679 8.617 0.062 19703 958 1 2 . 1 1 83 83 THR N N 83 107.059 107.059 107.536 -0.477 19703 959 1 2 . 1 1 83 83 THR HA H 83 4.253 4.253 4.116 0.137 19703 960 1 2 . 1 1 83 83 THR C C 83 174.494 174.494 174.525 -0.031 19703 961 1 2 . 1 1 83 83 THR CA C 83 59.749 59.749 62.805 -3.056 19703 962 1 2 . 1 1 83 83 THR CB C 83 66.801 66.801 69.963 -3.162 19703 963 1 2 . 1 1 83 83 THR H H 83 7.893 7.893 7.478 0.415 19703 964 1 2 . 1 1 84 84 SER N N 84 121.526 121.526 115.363 6.163 19703 965 1 2 . 1 1 84 84 SER HA H 84 5.080 5.080 4.414 0.666 19703 966 1 2 . 1 1 84 84 SER C C 84 173.561 173.561 174.139 -0.578 19703 967 1 2 . 1 1 84 84 SER CA C 84 61.844 61.844 57.543 4.301 19703 968 1 2 . 1 1 84 84 SER CB C 84 64.933 64.933 64.132 0.800 19703 969 1 2 . 1 1 84 84 SER H H 84 6.993 6.993 7.250 -0.257 19703 970 1 2 . 1 1 85 85 ARG N N 85 118.632 118.632 121.690 -3.058 19703 971 1 2 . 1 1 85 85 ARG HA H 85 4.809 4.809 4.807 0.002 19703 972 1 2 . 1 1 85 85 ARG C C 85 175.213 175.213 175.424 -0.211 19703 973 1 2 . 1 1 85 85 ARG CA C 85 52.209 52.209 54.230 -2.021 19703 974 1 2 . 1 1 85 85 ARG CB C 85 35.685 35.685 32.048 3.637 19703 975 1 2 . 1 1 85 85 ARG H H 85 9.358 9.358 7.920 1.438 19703 976 1 2 . 1 1 86 86 LEU N N 86 120.203 120.203 124.738 -4.535 19703 977 1 2 . 1 1 86 86 LEU H H 86 9.122 9.122 8.614 0.508 19703 978 1 2 . 1 1 89 89 GLN HA H 89 4.188 4.188 4.530 -0.342 19703 979 1 2 . 1 1 89 89 GLN C C 89 173.992 173.992 175.245 -1.253 19703 980 1 2 . 1 1 89 89 GLN CA C 89 53.850 53.850 54.292 -0.442 19703 981 1 2 . 1 1 89 89 GLN CB C 89 29.721 29.721 29.150 0.571 19703 982 1 2 . 1 1 90 90 ILE N N 90 117.060 117.060 118.431 -1.371 19703 983 1 2 . 1 1 90 90 ILE HA H 90 3.787 3.787 3.666 0.121 19703 984 1 2 . 1 1 90 90 ILE C C 90 173.762 173.762 174.498 -0.736 19703 985 1 2 . 1 1 90 90 ILE CA C 90 58.765 58.765 61.865 -3.100 19703 986 1 2 . 1 1 90 90 ILE CB C 90 37.268 37.268 35.777 1.491 19703 987 1 2 . 1 1 90 90 ILE H H 90 6.736 6.736 7.336 -0.600 19703 988 1 2 . 1 1 91 91 ILE N N 91 128.173 128.173 118.607 9.566 19703 989 1 2 . 1 1 91 91 ILE HA H 91 3.895 3.895 4.565 -0.670 19703 990 1 2 . 1 1 91 91 ILE C C 91 175.955 175.955 175.412 0.543 19703 991 1 2 . 1 1 91 91 ILE CA C 91 60.160 60.160 58.925 1.235 19703 992 1 2 . 1 1 91 91 ILE CB C 91 37.104 37.104 38.141 -1.037 19703 993 1 2 . 1 1 91 91 ILE H H 91 8.157 8.157 7.903 0.254 19703 994 1 2 . 1 1 92 92 LEU N N 92 127.403 127.403 128.230 -0.827 19703 995 1 2 . 1 1 92 92 LEU HA H 92 4.105 4.105 4.278 -0.173 19703 996 1 2 . 1 1 92 92 LEU C C 92 174.391 174.391 176.787 -2.396 19703 997 1 2 . 1 1 92 92 LEU CA C 92 54.805 54.805 56.110 -1.305 19703 998 1 2 . 1 1 92 92 LEU CB C 92 40.594 40.594 42.328 -1.734 19703 999 1 2 . 1 1 92 92 LEU H H 92 8.979 8.979 8.745 0.234 19703 1000 1 2 . 1 1 93 93 THR N N 93 110.385 110.385 110.432 -0.047 19703 1001 1 2 . 1 1 93 93 THR HA H 93 4.760 4.760 4.945 -0.185 19703 1002 1 2 . 1 1 93 93 THR C C 93 176.119 176.119 175.254 0.865 19703 1003 1 2 . 1 1 93 93 THR CA C 93 59.059 59.059 59.212 -0.153 19703 1004 1 2 . 1 1 93 93 THR CB C 93 72.517 72.517 70.810 1.707 19703 1005 1 2 . 1 1 93 93 THR H H 93 6.270 6.270 8.059 -1.789 19703 1006 1 2 . 1 1 94 94 LYS N N 94 120.484 120.484 124.245 -3.761 19703 1007 1 2 . 1 1 94 94 LYS HA H 94 3.684 3.684 4.000 -0.316 19703 1008 1 2 . 1 1 94 94 LYS C C 94 177.634 177.634 178.151 -0.517 19703 1009 1 2 . 1 1 94 94 LYS CA C 94 59.586 59.586 59.083 0.503 19703 1010 1 2 . 1 1 94 94 LYS CB C 94 31.690 31.690 32.179 -0.489 19703 1011 1 2 . 1 1 94 94 LYS H H 94 9.071 9.071 9.049 0.022 19703 1012 1 2 . 1 1 95 95 GLU N N 95 118.365 118.365 120.154 -1.789 19703 1013 1 2 . 1 1 95 95 GLU HA H 95 3.960 3.960 4.140 -0.180 19703 1014 1 2 . 1 1 95 95 GLU C C 95 176.639 176.639 178.121 -1.482 19703 1015 1 2 . 1 1 95 95 GLU CA C 95 59.480 59.480 58.876 0.604 19703 1016 1 2 . 1 1 95 95 GLU CB C 95 28.224 28.224 29.471 -1.246 19703 1017 1 2 . 1 1 95 95 GLU H H 95 8.422 8.422 7.906 0.516 19703 1018 1 2 . 1 1 96 96 LEU N N 96 116.407 116.407 118.994 -2.587 19703 1019 1 2 . 1 1 96 96 LEU HA H 96 4.453 4.453 4.384 0.069 19703 1020 1 2 . 1 1 96 96 LEU C C 96 174.106 174.106 176.129 -2.023 19703 1021 1 2 . 1 1 96 96 LEU CA C 96 53.499 53.499 53.951 -0.452 19703 1022 1 2 . 1 1 96 96 LEU CB C 96 40.899 40.899 41.772 -0.873 19703 1023 1 2 . 1 1 96 96 LEU H H 96 7.727 7.727 7.545 0.182 19703 1024 1 2 . 1 1 97 97 ASP N N 97 116.722 116.722 120.687 -3.965 19703 1025 1 2 . 1 1 97 97 ASP HA H 97 4.012 4.012 4.396 -0.384 19703 1026 1 2 . 1 1 97 97 ASP C C 97 175.803 175.803 177.624 -1.821 19703 1027 1 2 . 1 1 97 97 ASP CA C 97 56.511 56.511 55.623 0.888 19703 1028 1 2 . 1 1 97 97 ASP CB C 97 41.691 41.691 40.886 0.805 19703 1029 1 2 . 1 1 97 97 ASP H H 97 7.046 7.046 7.841 -0.795 19703 1030 1 2 . 1 1 98 98 GLY N N 98 117.545 117.545 116.198 1.347 19703 1031 1 2 . 1 1 98 98 GLY C C 98 173.481 173.481 173.988 -0.507 19703 1032 1 2 . 1 1 98 98 GLY CA C 98 44.602 44.602 45.332 -0.730 19703 1033 1 2 . 1 1 98 98 GLY H H 98 8.957 8.957 8.253 0.704 19703 1034 1 2 . 1 1 99 99 LEU N N 99 122.555 122.555 121.829 0.726 19703 1035 1 2 . 1 1 99 99 LEU C C 99 173.036 173.036 175.377 -2.341 19703 1036 1 2 . 1 1 99 99 LEU CA C 99 55.737 55.737 53.478 2.259 19703 1037 1 2 . 1 1 99 99 LEU CB C 99 42.087 42.087 44.309 -2.222 19703 1038 1 2 . 1 1 99 99 LEU H H 99 7.239 7.239 7.531 -0.292 19703 1039 1 2 . 1 1 100 100 CYS N N 100 121.421 121.421 120.983 0.438 19703 1040 1 2 . 1 1 100 100 CYS HA H 100 5.219 5.219 4.851 0.368 19703 1041 1 2 . 1 1 100 100 CYS C C 100 172.184 172.184 173.960 -1.776 19703 1042 1 2 . 1 1 100 100 CYS CA C 100 54.042 54.042 56.909 -2.867 19703 1043 1 2 . 1 1 100 100 CYS CB C 100 45.330 45.330 28.408 16.922 19703 1044 1 2 . 1 1 100 100 CYS H H 100 5.355 5.355 8.200 -2.845 19703 1045 1 2 . 1 1 101 101 VAL N N 101 121.510 121.510 118.971 2.539 19703 1046 1 2 . 1 1 101 101 VAL HA H 101 4.435 4.435 4.679 -0.244 19703 1047 1 2 . 1 1 101 101 VAL C C 101 172.314 172.314 174.222 -1.908 19703 1048 1 2 . 1 1 101 101 VAL CA C 101 59.936 59.936 59.728 0.208 19703 1049 1 2 . 1 1 101 101 VAL CB C 101 34.396 34.396 35.018 -0.622 19703 1050 1 2 . 1 1 101 101 VAL H H 101 8.691 8.691 8.457 0.234 19703 1051 1 2 . 1 1 102 102 ILE N N 102 126.427 126.427 120.622 5.805 19703 1052 1 2 . 1 1 102 102 ILE HA H 102 4.505 4.505 4.247 0.258 19703 1053 1 2 . 1 1 102 102 ILE C C 102 175.584 175.584 176.841 -1.257 19703 1054 1 2 . 1 1 102 102 ILE CA C 102 60.603 60.603 59.704 0.899 19703 1055 1 2 . 1 1 102 102 ILE CB C 102 40.383 40.383 37.313 3.070 19703 1056 1 2 . 1 1 102 102 ILE H H 102 9.582 9.582 8.078 1.504 19703 1057 1 2 . 1 1 103 103 LEU N N 103 127.589 127.589 125.748 1.841 19703 1058 1 2 . 1 1 103 103 LEU HA H 103 4.665 4.665 4.222 0.443 19703 1059 1 2 . 1 1 103 103 LEU C C 103 174.725 174.725 175.818 -1.093 19703 1060 1 2 . 1 1 103 103 LEU CA C 103 52.048 52.048 53.419 -1.371 19703 1061 1 2 . 1 1 103 103 LEU CB C 103 40.970 40.970 40.974 -0.003 19703 1062 1 2 . 1 1 103 103 LEU H H 103 8.321 8.321 8.300 0.021 19703 1063 1 2 . 1 1 104 104 PRO HA H 104 4.306 4.306 4.338 -0.032 19703 1064 1 2 . 1 1 104 104 PRO C C 104 176.389 176.389 177.012 -0.623 19703 1065 1 2 . 1 1 104 104 PRO CA C 104 62.963 62.963 64.171 -1.208 19703 1066 1 2 . 1 1 104 104 PRO CB C 104 32.265 32.265 31.977 0.288 19703 1067 1 2 . 1 1 105 105 THR N N 105 113.257 113.257 110.489 2.768 19703 1068 1 2 . 1 1 105 105 THR HA H 105 4.139 4.139 4.325 -0.186 19703 1069 1 2 . 1 1 105 105 THR C C 105 174.080 174.080 173.194 0.886 19703 1070 1 2 . 1 1 105 105 THR CA C 105 62.593 62.593 60.225 2.368 19703 1071 1 2 . 1 1 105 105 THR CB C 105 69.871 69.871 70.417 -0.546 19703 1072 1 2 . 1 1 105 105 THR H H 105 8.108 8.108 7.383 0.726 19703 1073 1 2 . 1 1 106 106 GLU N N 106 122.035 122.035 122.360 -0.325 19703 1074 1 2 . 1 1 106 106 GLU HA H 106 4.352 4.352 4.156 0.196 19703 1075 1 2 . 1 1 106 106 GLU C C 106 176.012 176.012 175.500 0.512 19703 1076 1 2 . 1 1 106 106 GLU CA C 106 56.393 56.393 57.093 -0.700 19703 1077 1 2 . 1 1 106 106 GLU CB C 106 31.113 31.113 30.007 1.106 19703 1078 1 2 . 1 1 106 106 GLU H H 106 8.291 8.291 8.455 -0.164 19703 1079 1 2 . 1 1 107 107 THR N N 107 115.185 115.185 115.782 -0.597 19703 1080 1 2 . 1 1 107 107 THR HA H 107 4.240 4.240 4.331 -0.091 19703 1081 1 2 . 1 1 107 107 THR C C 107 174.345 174.345 173.591 0.754 19703 1082 1 2 . 1 1 107 107 THR CA C 107 61.839 61.839 61.306 0.533 19703 1083 1 2 . 1 1 107 107 THR CB C 107 70.027 70.027 69.858 0.169 19703 1084 1 2 . 1 1 107 107 THR H H 107 8.308 8.308 7.920 0.388 19703 1085 1 2 . 1 1 108 108 ARG N N 108 122.789 122.789 120.927 1.862 19703 1086 1 2 . 1 1 108 108 ARG HA H 108 4.133 4.133 4.573 -0.440 19703 1087 1 2 . 1 1 108 108 ARG C C 108 175.543 175.543 175.076 0.467 19703 1088 1 2 . 1 1 108 108 ARG CA C 108 56.088 56.088 55.541 0.547 19703 1089 1 2 . 1 1 108 108 ARG CB C 108 30.906 30.906 31.338 -0.432 19703 1090 1 2 . 1 1 108 108 ARG H H 108 8.289 8.289 8.339 -0.051 19703 1091 1 2 . 1 1 109 109 ASN N N 109 120.177 120.177 120.088 0.089 19703 1092 1 2 . 1 1 109 109 ASN HA H 109 4.579 4.579 5.255 -0.675 19703 1093 1 2 . 1 1 109 109 ASN C C 109 175.106 175.106 174.538 0.568 19703 1094 1 2 . 1 1 109 109 ASN CA C 109 53.134 53.134 53.301 -0.167 19703 1095 1 2 . 1 1 109 109 ASN CB C 109 38.735 38.735 39.320 -0.585 19703 1096 1 2 . 1 1 109 109 ASN H H 109 8.365 8.365 8.626 -0.261 19703 1097 1 2 . 1 1 110 110 ILE N N 110 120.936 120.936 125.051 -4.115 19703 1098 1 2 . 1 1 110 110 ILE HA H 110 4.070 4.070 4.409 -0.339 19703 1099 1 2 . 1 1 110 110 ILE C C 110 175.914 175.914 175.418 0.496 19703 1100 1 2 . 1 1 110 110 ILE CA C 110 61.340 61.340 60.825 0.515 19703 1101 1 2 . 1 1 110 110 ILE CB C 110 38.861 38.861 41.265 -2.404 19703 1102 1 2 . 1 1 110 110 ILE H H 110 7.983 7.983 8.710 -0.727 19703 1103 1 2 . 1 1 111 111 SER N N 111 118.751 118.751 120.771 -2.020 19703 1104 1 2 . 1 1 111 111 SER HA H 111 4.340 4.340 4.803 -0.463 19703 1105 1 2 . 1 1 111 111 SER C C 111 173.977 173.977 174.539 -0.562 19703 1106 1 2 . 1 1 111 111 SER CA C 111 58.315 58.315 58.226 0.089 19703 1107 1 2 . 1 1 111 111 SER CB C 111 63.845 63.845 63.545 0.300 19703 1108 1 2 . 1 1 111 111 SER H H 111 8.176 8.176 8.417 -0.241 19703 1109 1 2 . 1 1 112 112 PHE N N 112 122.536 122.536 121.673 0.863 19703 1110 1 2 . 1 1 112 112 PHE HA H 112 4.555 4.555 4.622 -0.068 19703 1111 1 2 . 1 1 112 112 PHE C C 112 175.282 175.282 173.609 1.673 19703 1112 1 2 . 1 1 112 112 PHE CA C 112 57.743 57.743 56.562 1.181 19703 1113 1 2 . 1 1 112 112 PHE CB C 112 39.708 39.708 39.321 0.387 19703 1114 1 2 . 1 1 112 112 PHE H H 112 8.118 8.118 7.828 0.290 19703 1115 1 2 . 1 1 113 113 VAL N N 113 122.561 122.561 118.641 3.920 19703 1116 1 2 . 1 1 113 113 VAL HA H 113 3.922 3.922 3.971 -0.049 19703 1117 1 2 . 1 1 113 113 VAL C C 113 175.447 175.447 174.994 0.453 19703 1118 1 2 . 1 1 113 113 VAL CA C 113 62.237 62.237 61.951 0.286 19703 1119 1 2 . 1 1 113 113 VAL CB C 113 32.899 32.899 32.591 0.308 19703 1120 1 2 . 1 1 113 113 VAL H H 113 7.907 7.907 8.171 -0.264 19703 1121 1 2 . 1 1 114 114 LYS N N 114 125.629 125.629 119.969 5.660 19703 1122 1 2 . 1 1 114 114 LYS HA H 114 4.208 4.208 3.970 0.238 19703 1123 1 2 . 1 1 114 114 LYS C C 114 176.039 176.039 176.320 -0.281 19703 1124 1 2 . 1 1 114 114 LYS CA C 114 56.316 56.316 56.683 -0.367 19703 1125 1 2 . 1 1 114 114 LYS CB C 114 33.152 33.152 32.861 0.291 19703 1126 1 2 . 1 1 114 114 LYS H H 114 8.283 8.283 8.017 0.266 19703 1127 1 2 . 1 1 115 115 ASN N N 115 121.240 121.240 117.873 3.367 19703 1128 1 2 . 1 1 115 115 ASN HA H 115 4.672 4.672 4.964 -0.292 19703 1129 1 2 . 1 1 115 115 ASN C C 115 174.230 174.230 174.558 -0.328 19703 1130 1 2 . 1 1 115 115 ASN CA C 115 53.356 53.356 53.168 0.188 19703 1131 1 2 . 1 1 115 115 ASN CB C 115 39.079 39.079 40.111 -1.032 19703 1132 1 2 . 1 1 115 115 ASN H H 115 8.452 8.452 8.448 0.004 19703 1133 1 3 . 1 1 2 2 PRO HA H 2 4.138 4.138 4.481 -0.343 19703 1134 1 3 . 1 1 2 2 PRO C C 2 174.711 174.711 175.261 -0.550 19703 1135 1 3 . 1 1 2 2 PRO CA C 2 61.918 61.918 62.845 -0.927 19703 1136 1 3 . 1 1 2 2 PRO CB C 2 31.604 31.604 32.421 -0.817 19703 1137 1 3 . 1 1 3 3 LEU N N 3 122.430 122.430 119.453 2.977 19703 1138 1 3 . 1 1 3 3 LEU HA H 3 4.840 4.840 4.625 0.215 19703 1139 1 3 . 1 1 3 3 LEU C C 3 176.954 176.954 174.968 1.986 19703 1140 1 3 . 1 1 3 3 LEU CA C 3 53.697 53.697 54.157 -0.460 19703 1141 1 3 . 1 1 3 3 LEU CB C 3 42.404 42.404 45.275 -2.871 19703 1142 1 3 . 1 1 3 3 LEU H H 3 8.745 8.745 8.083 0.662 19703 1143 1 3 . 1 1 4 4 ILE N N 4 125.237 125.237 122.725 2.512 19703 1144 1 3 . 1 1 4 4 ILE HA H 4 4.465 4.465 4.318 0.147 19703 1145 1 3 . 1 1 4 4 ILE C C 4 174.949 174.949 174.927 0.022 19703 1146 1 3 . 1 1 4 4 ILE CA C 4 57.967 57.967 58.875 -0.908 19703 1147 1 3 . 1 1 4 4 ILE CB C 4 38.795 38.795 39.053 -0.258 19703 1148 1 3 . 1 1 4 4 ILE H H 4 8.824 8.824 8.020 0.804 19703 1149 1 3 . 1 1 5 5 THR N N 5 124.237 124.237 123.462 0.775 19703 1150 1 3 . 1 1 5 5 THR HA H 5 5.133 5.133 4.608 0.525 19703 1151 1 3 . 1 1 5 5 THR C C 5 172.705 172.705 173.513 -0.808 19703 1152 1 3 . 1 1 5 5 THR CA C 5 61.945 61.945 61.432 0.513 19703 1153 1 3 . 1 1 5 5 THR CB C 5 70.736 70.736 68.601 2.135 19703 1154 1 3 . 1 1 5 5 THR H H 5 8.802 8.802 8.054 0.748 19703 1155 1 3 . 1 1 6 6 PHE N N 6 124.358 124.358 127.890 -3.532 19703 1156 1 3 . 1 1 6 6 PHE HA H 6 5.244 5.244 5.377 -0.133 19703 1157 1 3 . 1 1 6 6 PHE C C 6 176.172 176.172 175.470 0.702 19703 1158 1 3 . 1 1 6 6 PHE CA C 6 56.309 56.309 56.825 -0.517 19703 1159 1 3 . 1 1 6 6 PHE CB C 6 42.111 42.111 40.510 1.601 19703 1160 1 3 . 1 1 6 6 PHE H H 6 9.239 9.239 8.084 1.155 19703 1161 1 3 . 1 1 7 7 ILE N N 7 126.251 126.251 124.128 2.123 19703 1162 1 3 . 1 1 7 7 ILE HA H 7 4.847 4.847 4.489 0.358 19703 1163 1 3 . 1 1 7 7 ILE C C 7 176.608 176.608 175.916 0.692 19703 1164 1 3 . 1 1 7 7 ILE CA C 7 60.317 60.317 60.916 -0.599 19703 1165 1 3 . 1 1 7 7 ILE CB C 7 38.252 38.252 39.168 -0.916 19703 1166 1 3 . 1 1 7 7 ILE H H 7 9.509 9.509 8.436 1.073 19703 1167 1 3 . 1 1 8 8 SER N N 8 124.211 124.211 119.932 4.279 19703 1168 1 3 . 1 1 8 8 SER C C 8 174.143 174.143 174.228 -0.085 19703 1169 1 3 . 1 1 8 8 SER CA C 8 59.506 59.506 56.021 3.485 19703 1170 1 3 . 1 1 8 8 SER CB C 8 62.938 62.938 63.671 -0.733 19703 1171 1 3 . 1 1 8 8 SER H H 8 8.880 8.880 8.576 0.304 19703 1172 1 3 . 1 1 9 9 PRO HA H 9 4.326 4.326 4.555 -0.229 19703 1173 1 3 . 1 1 9 9 PRO C C 9 176.530 176.530 176.352 0.178 19703 1174 1 3 . 1 1 9 9 PRO CA C 9 65.685 65.685 64.811 0.874 19703 1175 1 3 . 1 1 9 9 PRO CB C 9 31.920 31.920 31.959 -0.039 19703 1176 1 3 . 1 1 10 10 ASP N N 10 113.865 113.865 116.804 -2.939 19703 1177 1 3 . 1 1 10 10 ASP HA H 10 4.413 4.413 4.670 -0.257 19703 1178 1 3 . 1 1 10 10 ASP C C 10 177.083 177.083 176.332 0.751 19703 1179 1 3 . 1 1 10 10 ASP CA C 10 53.302 53.302 53.409 -0.107 19703 1180 1 3 . 1 1 10 10 ASP CB C 10 39.571 39.571 40.884 -1.313 19703 1181 1 3 . 1 1 10 10 ASP H H 10 7.667 7.667 8.171 -0.504 19703 1182 1 3 . 1 1 11 11 GLY N N 11 109.808 109.808 107.757 2.051 19703 1183 1 3 . 1 1 11 11 GLY C C 11 174.638 174.638 174.926 -0.288 19703 1184 1 3 . 1 1 11 11 GLY CA C 11 44.844 44.844 45.193 -0.349 19703 1185 1 3 . 1 1 11 11 GLY H H 11 8.538 8.538 7.588 0.950 19703 1186 1 3 . 1 1 12 12 SER N N 12 118.381 118.381 116.468 1.913 19703 1187 1 3 . 1 1 12 12 SER HA H 12 4.224 4.224 4.486 -0.262 19703 1188 1 3 . 1 1 12 12 SER C C 12 172.370 172.370 173.466 -1.096 19703 1189 1 3 . 1 1 12 12 SER CA C 12 59.344 59.344 58.939 0.405 19703 1190 1 3 . 1 1 12 12 SER CB C 12 63.909 63.909 63.689 0.220 19703 1191 1 3 . 1 1 12 12 SER H H 12 8.233 8.233 7.984 0.249 19703 1192 1 3 . 1 1 13 13 ARG N N 13 119.429 119.429 118.391 1.038 19703 1193 1 3 . 1 1 13 13 ARG HA H 13 5.322 5.322 5.033 0.289 19703 1194 1 3 . 1 1 13 13 ARG C C 13 175.622 175.622 175.165 0.457 19703 1195 1 3 . 1 1 13 13 ARG CA C 13 54.652 54.652 55.130 -0.478 19703 1196 1 3 . 1 1 13 13 ARG CB C 13 33.616 33.616 33.127 0.489 19703 1197 1 3 . 1 1 13 13 ARG H H 13 8.386 8.386 8.291 0.095 19703 1198 1 3 . 1 1 14 14 LYS N N 14 122.872 122.872 124.209 -1.337 19703 1199 1 3 . 1 1 14 14 LYS HA H 14 4.409 4.409 4.760 -0.351 19703 1200 1 3 . 1 1 14 14 LYS C C 14 173.900 173.900 175.233 -1.333 19703 1201 1 3 . 1 1 14 14 LYS CA C 14 55.236 55.236 54.693 0.543 19703 1202 1 3 . 1 1 14 14 LYS CB C 14 37.200 37.200 35.019 2.181 19703 1203 1 3 . 1 1 14 14 LYS H H 14 8.313 8.313 9.009 -0.696 19703 1204 1 3 . 1 1 15 15 THR N N 15 119.577 119.577 116.590 2.987 19703 1205 1 3 . 1 1 15 15 THR HA H 15 5.021 5.021 4.563 0.458 19703 1206 1 3 . 1 1 15 15 THR C C 15 173.125 173.125 173.247 -0.122 19703 1207 1 3 . 1 1 15 15 THR CA C 15 61.744 61.744 61.302 0.442 19703 1208 1 3 . 1 1 15 15 THR CB C 15 70.674 70.674 70.113 0.561 19703 1209 1 3 . 1 1 15 15 THR H H 15 8.058 8.058 8.559 -0.501 19703 1210 1 3 . 1 1 16 16 TYR N N 16 124.739 124.739 122.313 2.426 19703 1211 1 3 . 1 1 16 16 TYR HA H 16 4.793 4.793 4.880 -0.087 19703 1212 1 3 . 1 1 16 16 TYR C C 16 174.110 174.110 173.890 0.220 19703 1213 1 3 . 1 1 16 16 TYR CA C 16 56.177 56.177 55.763 0.414 19703 1214 1 3 . 1 1 16 16 TYR CB C 16 43.856 43.856 39.617 4.239 19703 1215 1 3 . 1 1 16 16 TYR H H 16 9.192 9.192 7.574 1.618 19703 1216 1 3 . 1 1 17 17 GLU N N 17 120.492 120.492 122.608 -2.116 19703 1217 1 3 . 1 1 17 17 GLU HA H 17 4.402 4.402 4.292 0.110 19703 1218 1 3 . 1 1 17 17 GLU C C 17 175.431 175.431 175.969 -0.538 19703 1219 1 3 . 1 1 17 17 GLU CA C 17 55.885 55.885 57.310 -1.425 19703 1220 1 3 . 1 1 17 17 GLU CB C 17 30.772 30.772 29.981 0.791 19703 1221 1 3 . 1 1 17 17 GLU H H 17 8.485 8.485 8.667 -0.182 19703 1222 1 3 . 1 1 18 18 ALA N N 18 127.314 127.314 128.203 -0.889 19703 1223 1 3 . 1 1 18 18 ALA HA H 18 4.289 4.289 4.654 -0.365 19703 1224 1 3 . 1 1 18 18 ALA C C 18 176.561 176.561 176.327 0.234 19703 1225 1 3 . 1 1 18 18 ALA CA C 18 50.368 50.368 51.602 -1.234 19703 1226 1 3 . 1 1 18 18 ALA CB C 18 22.174 22.174 21.092 1.082 19703 1227 1 3 . 1 1 18 18 ALA H H 18 8.394 8.394 8.301 0.093 19703 1228 1 3 . 1 1 19 19 TYR N N 19 118.845 118.845 119.062 -0.217 19703 1229 1 3 . 1 1 19 19 TYR HA H 19 4.698 4.698 4.639 0.059 19703 1230 1 3 . 1 1 19 19 TYR C C 19 175.697 175.697 174.907 0.790 19703 1231 1 3 . 1 1 19 19 TYR CA C 19 55.217 55.217 57.332 -2.115 19703 1232 1 3 . 1 1 19 19 TYR CB C 19 38.407 38.407 42.188 -3.781 19703 1233 1 3 . 1 1 19 19 TYR H H 19 8.588 8.588 8.736 -0.148 19703 1234 1 3 . 1 1 20 20 ASP N N 20 121.106 121.106 118.610 2.496 19703 1235 1 3 . 1 1 20 20 ASP HA H 20 4.176 4.176 4.723 -0.547 19703 1236 1 3 . 1 1 20 20 ASP C C 20 176.460 176.460 175.960 0.500 19703 1237 1 3 . 1 1 20 20 ASP CA C 20 55.993 55.993 54.126 1.867 19703 1238 1 3 . 1 1 20 20 ASP CB C 20 41.290 41.290 41.192 0.098 19703 1239 1 3 . 1 1 20 20 ASP H H 20 8.280 8.280 8.495 -0.215 19703 1240 1 3 . 1 1 21 21 GLY N N 21 115.001 115.001 111.373 3.628 19703 1241 1 3 . 1 1 21 21 GLY C C 21 173.948 173.948 173.894 0.054 19703 1242 1 3 . 1 1 21 21 GLY CA C 21 45.288 45.288 45.846 -0.558 19703 1243 1 3 . 1 1 21 21 GLY H H 21 9.011 9.011 8.371 0.640 19703 1244 1 3 . 1 1 22 22 GLU N N 22 121.980 121.980 120.258 1.722 19703 1245 1 3 . 1 1 22 22 GLU HA H 22 4.517 4.517 4.484 0.033 19703 1246 1 3 . 1 1 22 22 GLU C C 22 175.114 175.114 175.994 -0.880 19703 1247 1 3 . 1 1 22 22 GLU CA C 22 55.077 55.077 54.948 0.129 19703 1248 1 3 . 1 1 22 22 GLU CB C 22 30.747 30.747 30.739 0.008 19703 1249 1 3 . 1 1 22 22 GLU H H 22 7.856 7.856 7.807 0.049 19703 1250 1 3 . 1 1 23 23 THR N N 23 110.390 110.390 119.707 -9.317 19703 1251 1 3 . 1 1 23 23 THR HA H 23 5.382 5.382 4.303 1.079 19703 1252 1 3 . 1 1 23 23 THR C C 23 176.857 176.857 175.833 1.024 19703 1253 1 3 . 1 1 23 23 THR CA C 23 60.549 60.549 62.415 -1.866 19703 1254 1 3 . 1 1 23 23 THR CB C 23 72.554 72.554 70.110 2.444 19703 1255 1 3 . 1 1 23 23 THR H H 23 8.234 8.234 8.463 -0.229 19703 1256 1 3 . 1 1 24 24 LEU N N 24 120.243 120.243 125.311 -5.068 19703 1257 1 3 . 1 1 24 24 LEU HA H 24 4.022 4.022 3.978 0.044 19703 1258 1 3 . 1 1 24 24 LEU C C 24 178.102 178.102 178.412 -0.310 19703 1259 1 3 . 1 1 24 24 LEU CA C 24 58.076 58.076 57.834 0.242 19703 1260 1 3 . 1 1 24 24 LEU CB C 24 41.982 41.982 41.821 0.161 19703 1261 1 3 . 1 1 24 24 LEU H H 24 8.410 8.410 8.904 -0.494 19703 1262 1 3 . 1 1 25 25 LEU N N 25 116.005 116.005 119.254 -3.249 19703 1263 1 3 . 1 1 25 25 LEU HA H 25 3.772 3.772 3.851 -0.079 19703 1264 1 3 . 1 1 25 25 LEU C C 25 176.517 176.517 178.792 -2.275 19703 1265 1 3 . 1 1 25 25 LEU CA C 25 57.593 57.593 58.426 -0.833 19703 1266 1 3 . 1 1 25 25 LEU CB C 25 42.559 42.559 41.776 0.782 19703 1267 1 3 . 1 1 25 25 LEU H H 25 6.645 6.645 7.485 -0.840 19703 1268 1 3 . 1 1 26 26 SER N N 26 115.141 115.141 114.280 0.861 19703 1269 1 3 . 1 1 26 26 SER HA H 26 4.061 4.061 4.186 -0.125 19703 1270 1 3 . 1 1 26 26 SER C C 26 177.287 177.287 176.479 0.808 19703 1271 1 3 . 1 1 26 26 SER CA C 26 61.413 61.413 60.639 0.774 19703 1272 1 3 . 1 1 26 26 SER CB C 26 62.377 62.377 62.634 -0.257 19703 1273 1 3 . 1 1 26 26 SER H H 26 7.847 7.847 7.741 0.106 19703 1274 1 3 . 1 1 27 27 LEU N N 27 122.244 122.244 123.590 -1.346 19703 1275 1 3 . 1 1 27 27 LEU HA H 27 3.837 3.837 4.320 -0.483 19703 1276 1 3 . 1 1 27 27 LEU C C 27 179.116 179.116 178.089 1.027 19703 1277 1 3 . 1 1 27 27 LEU CA C 27 58.435 58.435 57.070 1.365 19703 1278 1 3 . 1 1 27 27 LEU CB C 27 41.586 41.586 41.429 0.157 19703 1279 1 3 . 1 1 27 27 LEU H H 27 7.869 7.869 7.411 0.458 19703 1280 1 3 . 1 1 28 28 ALA N N 28 120.875 120.875 121.389 -0.514 19703 1281 1 3 . 1 1 28 28 ALA HA H 28 3.278 3.278 3.758 -0.480 19703 1282 1 3 . 1 1 28 28 ALA C C 28 179.545 179.545 179.131 0.414 19703 1283 1 3 . 1 1 28 28 ALA CA C 28 54.696 54.696 54.961 -0.265 19703 1284 1 3 . 1 1 28 28 ALA CB C 28 18.423 18.423 17.777 0.646 19703 1285 1 3 . 1 1 28 28 ALA H H 28 8.002 8.002 7.596 0.406 19703 1286 1 3 . 1 1 29 29 HIS N N 29 117.818 117.818 116.404 1.414 19703 1287 1 3 . 1 1 29 29 HIS HA H 29 4.538 4.538 4.185 0.353 19703 1288 1 3 . 1 1 29 29 HIS C C 29 178.985 178.985 177.344 1.641 19703 1289 1 3 . 1 1 29 29 HIS CA C 29 57.620 57.620 58.373 -0.753 19703 1290 1 3 . 1 1 29 29 HIS CB C 29 28.961 28.961 29.402 -0.441 19703 1291 1 3 . 1 1 29 29 HIS H H 29 8.587 8.587 7.997 0.590 19703 1292 1 3 . 1 1 30 30 ARG N N 30 118.408 118.408 116.794 1.614 19703 1293 1 3 . 1 1 30 30 ARG HA H 30 4.111 4.111 3.866 0.245 19703 1294 1 3 . 1 1 30 30 ARG C C 30 176.361 176.361 177.042 -0.681 19703 1295 1 3 . 1 1 30 30 ARG CA C 30 58.818 58.818 57.286 1.532 19703 1296 1 3 . 1 1 30 30 ARG CB C 30 30.001 30.001 30.304 -0.303 19703 1297 1 3 . 1 1 30 30 ARG H H 30 8.264 8.264 7.876 0.388 19703 1298 1 3 . 1 1 31 31 ASN N N 31 114.401 114.401 115.729 -1.328 19703 1299 1 3 . 1 1 31 31 ASN HA H 31 4.578 4.578 4.797 -0.219 19703 1300 1 3 . 1 1 31 31 ASN C C 31 172.703 172.703 174.991 -2.288 19703 1301 1 3 . 1 1 31 31 ASN CA C 31 53.405 53.405 53.257 0.148 19703 1302 1 3 . 1 1 31 31 ASN CB C 31 40.339 40.339 38.753 1.586 19703 1303 1 3 . 1 1 31 31 ASN H H 31 6.906 6.906 7.434 -0.528 19703 1304 1 3 . 1 1 32 32 ASN N N 32 114.697 114.697 114.106 0.591 19703 1305 1 3 . 1 1 32 32 ASN HA H 32 4.232 4.232 4.276 -0.044 19703 1306 1 3 . 1 1 32 32 ASN C C 32 174.118 174.118 174.147 -0.029 19703 1307 1 3 . 1 1 32 32 ASN CA C 32 54.845 54.845 54.440 0.405 19703 1308 1 3 . 1 1 32 32 ASN CB C 32 36.966 36.966 36.341 0.625 19703 1309 1 3 . 1 1 32 32 ASN H H 32 7.637 7.637 7.921 -0.284 19703 1310 1 3 . 1 1 33 33 VAL N N 33 119.649 119.649 119.042 0.607 19703 1311 1 3 . 1 1 33 33 VAL HA H 33 3.508 3.508 4.197 -0.689 19703 1312 1 3 . 1 1 33 33 VAL C C 33 176.639 176.639 174.996 1.643 19703 1313 1 3 . 1 1 33 33 VAL CA C 33 62.163 62.163 61.189 0.974 19703 1314 1 3 . 1 1 33 33 VAL CB C 33 31.566 31.566 33.017 -1.451 19703 1315 1 3 . 1 1 33 33 VAL H H 33 8.003 8.003 7.281 0.722 19703 1316 1 3 . 1 1 34 34 ASP N N 34 128.347 128.347 125.680 2.667 19703 1317 1 3 . 1 1 34 34 ASP HA H 34 4.381 4.381 4.707 -0.326 19703 1318 1 3 . 1 1 34 34 ASP C C 34 172.933 172.933 174.825 -1.892 19703 1319 1 3 . 1 1 34 34 ASP CA C 34 54.311 54.311 53.334 0.977 19703 1320 1 3 . 1 1 34 34 ASP CB C 34 39.063 39.063 40.699 -1.635 19703 1321 1 3 . 1 1 34 34 ASP H H 34 8.469 8.469 8.453 0.016 19703 1322 1 3 . 1 1 35 35 LEU N N 35 127.456 127.456 124.386 3.070 19703 1323 1 3 . 1 1 35 35 LEU HA H 35 4.391 4.391 4.536 -0.145 19703 1324 1 3 . 1 1 35 35 LEU C C 35 174.747 174.747 175.995 -1.248 19703 1325 1 3 . 1 1 35 35 LEU CA C 35 54.105 54.105 54.397 -0.292 19703 1326 1 3 . 1 1 35 35 LEU H H 35 7.864 7.864 8.495 -0.631 19703 1327 1 3 . 1 1 49 49 HIS HA H 49 4.857 4.857 4.503 0.354 19703 1328 1 3 . 1 1 49 49 HIS C C 49 173.176 173.176 174.813 -1.637 19703 1329 1 3 . 1 1 49 49 HIS CA C 49 55.342 55.342 56.783 -1.441 19703 1330 1 3 . 1 1 49 49 HIS CB C 49 29.958 29.958 30.174 -0.216 19703 1331 1 3 . 1 1 50 50 VAL N N 50 119.554 119.554 115.899 3.655 19703 1332 1 3 . 1 1 50 50 VAL HA H 50 4.327 4.327 4.647 -0.320 19703 1333 1 3 . 1 1 50 50 VAL C C 50 172.122 172.122 174.375 -2.253 19703 1334 1 3 . 1 1 50 50 VAL CA C 50 59.245 59.245 59.767 -0.522 19703 1335 1 3 . 1 1 50 50 VAL CB C 50 35.976 35.976 35.423 0.553 19703 1336 1 3 . 1 1 50 50 VAL H H 50 9.210 9.210 8.039 1.171 19703 1337 1 3 . 1 1 51 51 ILE N N 51 121.739 121.739 122.326 -0.587 19703 1338 1 3 . 1 1 51 51 ILE HA H 51 4.021 4.021 4.495 -0.474 19703 1339 1 3 . 1 1 51 51 ILE C C 51 175.868 175.868 173.890 1.978 19703 1340 1 3 . 1 1 51 51 ILE CA C 51 61.108 61.108 60.599 0.509 19703 1341 1 3 . 1 1 51 51 ILE CB C 51 39.340 39.340 38.685 0.655 19703 1342 1 3 . 1 1 51 51 ILE H H 51 8.279 8.279 8.365 -0.086 19703 1343 1 3 . 1 1 52 52 ILE N N 52 126.048 126.048 123.586 2.462 19703 1344 1 3 . 1 1 52 52 ILE HA H 52 4.027 4.027 4.622 -0.595 19703 1345 1 3 . 1 1 52 52 ILE C C 52 176.343 176.343 174.726 1.617 19703 1346 1 3 . 1 1 52 52 ILE CA C 52 58.856 58.856 58.096 0.760 19703 1347 1 3 . 1 1 52 52 ILE CB C 52 35.576 35.576 40.649 -5.073 19703 1348 1 3 . 1 1 52 52 ILE H H 52 8.454 8.454 7.883 0.571 19703 1349 1 3 . 1 1 53 53 ASP N N 53 127.679 127.679 118.142 9.537 19703 1350 1 3 . 1 1 53 53 ASP C C 53 176.811 176.811 176.752 0.059 19703 1351 1 3 . 1 1 53 53 ASP CA C 53 54.125 54.125 52.878 1.247 19703 1352 1 3 . 1 1 53 53 ASP CB C 53 44.609 44.609 40.280 4.329 19703 1353 1 3 . 1 1 53 53 ASP H H 53 7.698 7.698 8.450 -0.752 19703 1354 1 3 . 1 1 54 54 PRO HA H 54 4.188 4.188 4.374 -0.186 19703 1355 1 3 . 1 1 54 54 PRO C C 54 178.175 178.175 178.369 -0.194 19703 1356 1 3 . 1 1 54 54 PRO CA C 54 66.346 66.346 64.838 1.508 19703 1357 1 3 . 1 1 54 54 PRO CB C 54 32.210 32.210 32.086 0.124 19703 1358 1 3 . 1 1 55 55 SER N N 55 113.470 113.470 113.586 -0.116 19703 1359 1 3 . 1 1 55 55 SER HA H 55 4.282 4.282 4.526 -0.244 19703 1360 1 3 . 1 1 55 55 SER C C 55 174.884 174.884 175.760 -0.876 19703 1361 1 3 . 1 1 55 55 SER CA C 55 61.090 61.090 60.411 0.679 19703 1362 1 3 . 1 1 55 55 SER CB C 55 62.971 62.971 63.164 -0.193 19703 1363 1 3 . 1 1 55 55 SER H H 55 8.853 8.853 8.279 0.574 19703 1364 1 3 . 1 1 56 56 TRP N N 56 120.568 120.568 121.599 -1.031 19703 1365 1 3 . 1 1 56 56 TRP HA H 56 4.467 4.467 4.632 -0.165 19703 1366 1 3 . 1 1 56 56 TRP C C 56 176.386 176.386 177.029 -0.643 19703 1367 1 3 . 1 1 56 56 TRP CA C 56 58.465 58.465 57.834 0.631 19703 1368 1 3 . 1 1 56 56 TRP CB C 56 33.371 33.371 31.318 2.053 19703 1369 1 3 . 1 1 56 56 TRP H H 56 8.656 8.656 7.948 0.708 19703 1370 1 3 . 1 1 57 57 TYR N N 57 121.686 121.686 121.876 -0.190 19703 1371 1 3 . 1 1 57 57 TYR HA H 57 3.716 3.716 3.990 -0.274 19703 1372 1 3 . 1 1 57 57 TYR C C 57 176.621 176.621 176.959 -0.338 19703 1373 1 3 . 1 1 57 57 TYR CA C 57 64.137 64.137 62.664 1.473 19703 1374 1 3 . 1 1 57 57 TYR CB C 57 38.967 38.967 38.307 0.660 19703 1375 1 3 . 1 1 57 57 TYR H H 57 7.329 7.329 8.077 -0.748 19703 1376 1 3 . 1 1 58 58 ASP N N 58 119.983 119.983 118.205 1.778 19703 1377 1 3 . 1 1 58 58 ASP HA H 58 4.390 4.390 4.291 0.099 19703 1378 1 3 . 1 1 58 58 ASP C C 58 178.509 178.509 178.377 0.132 19703 1379 1 3 . 1 1 58 58 ASP CA C 58 57.914 57.914 56.971 0.943 19703 1380 1 3 . 1 1 58 58 ASP CB C 58 39.741 39.741 40.590 -0.849 19703 1381 1 3 . 1 1 58 58 ASP H H 58 9.033 9.033 8.364 0.669 19703 1382 1 3 . 1 1 59 59 ILE N N 59 122.534 122.534 119.840 2.694 19703 1383 1 3 . 1 1 59 59 ILE HA H 59 3.809 3.809 3.761 0.048 19703 1384 1 3 . 1 1 59 59 ILE C C 59 178.418 178.418 177.825 0.593 19703 1385 1 3 . 1 1 59 59 ILE CA C 59 64.650 64.650 63.267 1.383 19703 1386 1 3 . 1 1 59 59 ILE CB C 59 38.514 38.514 37.248 1.266 19703 1387 1 3 . 1 1 59 59 ILE H H 59 7.894 7.894 7.536 0.358 19703 1388 1 3 . 1 1 60 60 VAL N N 60 118.811 118.811 116.847 1.964 19703 1389 1 3 . 1 1 60 60 VAL HA H 60 3.459 3.459 3.804 -0.345 19703 1390 1 3 . 1 1 60 60 VAL C C 60 178.294 178.294 178.173 0.121 19703 1391 1 3 . 1 1 60 60 VAL CA C 60 67.819 67.819 65.838 1.981 19703 1392 1 3 . 1 1 60 60 VAL CB C 60 31.268 31.268 31.341 -0.073 19703 1393 1 3 . 1 1 60 60 VAL H H 60 8.265 8.265 8.321 -0.056 19703 1394 1 3 . 1 1 61 61 GLU N N 61 121.332 121.332 119.483 1.849 19703 1395 1 3 . 1 1 61 61 GLU HA H 61 3.625 3.625 3.906 -0.281 19703 1396 1 3 . 1 1 61 61 GLU C C 61 177.407 177.407 177.317 0.090 19703 1397 1 3 . 1 1 61 61 GLU CA C 61 59.055 59.055 58.461 0.595 19703 1398 1 3 . 1 1 61 61 GLU CB C 61 28.425 28.425 29.443 -1.018 19703 1399 1 3 . 1 1 61 61 GLU H H 61 8.036 8.036 8.205 -0.169 19703 1400 1 3 . 1 1 62 62 GLN N N 62 117.653 117.653 115.872 1.781 19703 1401 1 3 . 1 1 62 62 GLN HA H 62 3.734 3.734 4.174 -0.440 19703 1402 1 3 . 1 1 62 62 GLN C C 62 177.586 177.586 177.633 -0.047 19703 1403 1 3 . 1 1 62 62 GLN CA C 62 58.476 58.476 57.803 0.673 19703 1404 1 3 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.733 -0.633 19703 1405 1 3 . 1 1 62 62 GLN H H 62 7.912 7.912 7.313 0.599 19703 1406 1 3 . 1 1 63 63 HIS N N 63 113.347 113.347 118.962 -5.615 19703 1407 1 3 . 1 1 63 63 HIS HA H 63 4.438 4.438 4.407 0.031 19703 1408 1 3 . 1 1 63 63 HIS C C 63 177.626 177.626 174.792 2.834 19703 1409 1 3 . 1 1 63 63 HIS CA C 63 56.824 56.824 57.571 -0.747 19703 1410 1 3 . 1 1 63 63 HIS CB C 63 31.805 31.805 30.648 1.157 19703 1411 1 3 . 1 1 63 63 HIS H H 63 6.929 6.929 8.215 -1.286 19703 1412 1 3 . 1 1 64 64 ASN N N 64 121.506 121.506 117.667 3.839 19703 1413 1 3 . 1 1 64 64 ASN HA H 64 5.081 5.081 4.736 0.345 19703 1414 1 3 . 1 1 64 64 ASN C C 64 172.577 172.577 173.776 -1.199 19703 1415 1 3 . 1 1 64 64 ASN CA C 64 52.317 52.317 52.570 -0.253 19703 1416 1 3 . 1 1 64 64 ASN CB C 64 40.113 40.113 40.769 -0.656 19703 1417 1 3 . 1 1 64 64 ASN H H 64 7.875 7.875 7.619 0.256 19703 1418 1 3 . 1 1 65 65 GLU N N 65 126.101 126.101 123.312 2.789 19703 1419 1 3 . 1 1 65 65 GLU HA H 65 4.132 4.132 4.404 -0.272 19703 1420 1 3 . 1 1 65 65 GLU C C 65 176.297 176.297 175.898 0.399 19703 1421 1 3 . 1 1 65 65 GLU CA C 65 57.575 57.575 55.810 1.765 19703 1422 1 3 . 1 1 65 65 GLU CB C 65 30.195 30.195 30.748 -0.553 19703 1423 1 3 . 1 1 65 65 GLU H H 65 8.791 8.791 8.407 0.384 19703 1424 1 3 . 1 1 66 66 ILE N N 66 125.274 125.274 118.622 6.652 19703 1425 1 3 . 1 1 66 66 ILE HA H 66 3.995 3.995 4.393 -0.398 19703 1426 1 3 . 1 1 66 66 ILE C C 66 176.257 176.257 175.459 0.798 19703 1427 1 3 . 1 1 66 66 ILE CA C 66 62.046 62.046 60.145 1.901 19703 1428 1 3 . 1 1 66 66 ILE CB C 66 37.899 37.899 39.661 -1.762 19703 1429 1 3 . 1 1 66 66 ILE H H 66 8.973 8.973 8.045 0.928 19703 1430 1 3 . 1 1 67 67 SER N N 67 125.487 125.487 120.955 4.532 19703 1431 1 3 . 1 1 67 67 SER HA H 67 4.439 4.439 4.586 -0.147 19703 1432 1 3 . 1 1 67 67 SER C C 67 174.736 174.736 175.059 -0.323 19703 1433 1 3 . 1 1 67 67 SER CA C 67 58.127 58.127 57.548 0.579 19703 1434 1 3 . 1 1 67 67 SER CB C 67 66.057 66.057 64.440 1.617 19703 1435 1 3 . 1 1 67 67 SER H H 67 8.585 8.585 8.488 0.097 19703 1436 1 3 . 1 1 68 68 ASP N N 68 122.043 122.043 121.317 0.726 19703 1437 1 3 . 1 1 68 68 ASP HA H 68 4.309 4.309 4.417 -0.108 19703 1438 1 3 . 1 1 68 68 ASP C C 68 178.298 178.298 177.979 0.319 19703 1439 1 3 . 1 1 68 68 ASP CA C 68 57.596 57.596 57.518 0.078 19703 1440 1 3 . 1 1 68 68 ASP CB C 68 40.548 40.548 40.496 0.052 19703 1441 1 3 . 1 1 68 68 ASP H H 68 8.929 8.929 8.798 0.131 19703 1442 1 3 . 1 1 69 69 GLU N N 69 118.225 118.225 118.602 -0.377 19703 1443 1 3 . 1 1 69 69 GLU HA H 69 3.960 3.960 4.112 -0.152 19703 1444 1 3 . 1 1 69 69 GLU C C 69 178.938 178.938 178.586 0.352 19703 1445 1 3 . 1 1 69 69 GLU CA C 69 60.728 60.728 58.969 1.759 19703 1446 1 3 . 1 1 69 69 GLU CB C 69 29.492 29.492 29.329 0.163 19703 1447 1 3 . 1 1 69 69 GLU H H 69 8.852 8.852 8.349 0.503 19703 1448 1 3 . 1 1 70 70 GLU N N 70 121.051 121.051 120.756 0.295 19703 1449 1 3 . 1 1 70 70 GLU HA H 70 3.820 3.820 4.017 -0.197 19703 1450 1 3 . 1 1 70 70 GLU C C 70 177.857 177.857 178.540 -0.683 19703 1451 1 3 . 1 1 70 70 GLU CA C 70 59.443 59.443 59.518 -0.075 19703 1452 1 3 . 1 1 70 70 GLU CB C 70 28.344 28.344 29.324 -0.980 19703 1453 1 3 . 1 1 70 70 GLU H H 70 7.923 7.923 8.318 -0.395 19703 1454 1 3 . 1 1 71 71 ASN N N 71 118.461 118.461 117.053 1.408 19703 1455 1 3 . 1 1 71 71 ASN HA H 71 4.360 4.360 4.391 -0.031 19703 1456 1 3 . 1 1 71 71 ASN C C 71 177.621 177.621 177.236 0.385 19703 1457 1 3 . 1 1 71 71 ASN CA C 71 56.919 56.919 55.812 1.107 19703 1458 1 3 . 1 1 71 71 ASN CB C 71 38.688 38.688 38.675 0.013 19703 1459 1 3 . 1 1 71 71 ASN H H 71 7.988 7.988 8.304 -0.316 19703 1460 1 3 . 1 1 72 72 ASP N N 72 118.807 118.807 120.913 -2.106 19703 1461 1 3 . 1 1 72 72 ASP HA H 72 4.249 4.249 4.423 -0.174 19703 1462 1 3 . 1 1 72 72 ASP C C 72 178.772 178.772 177.992 0.780 19703 1463 1 3 . 1 1 72 72 ASP CA C 72 57.507 57.507 57.107 0.400 19703 1464 1 3 . 1 1 72 72 ASP CB C 72 40.932 40.932 40.992 -0.061 19703 1465 1 3 . 1 1 72 72 ASP H H 72 8.129 8.129 7.418 0.711 19703 1466 1 3 . 1 1 73 73 MET N N 73 117.610 117.610 118.757 -1.147 19703 1467 1 3 . 1 1 73 73 MET HA H 73 4.415 4.415 4.082 0.333 19703 1468 1 3 . 1 1 73 73 MET C C 73 180.694 180.694 178.046 2.648 19703 1469 1 3 . 1 1 73 73 MET CA C 73 56.144 56.144 57.545 -1.401 19703 1470 1 3 . 1 1 73 73 MET CB C 73 34.126 34.126 32.549 1.577 19703 1471 1 3 . 1 1 73 73 MET H H 73 7.523 7.523 7.985 -0.462 19703 1472 1 3 . 1 1 74 74 LEU N N 74 123.258 123.258 117.222 6.036 19703 1473 1 3 . 1 1 74 74 LEU HA H 74 3.768 3.768 3.974 -0.206 19703 1474 1 3 . 1 1 74 74 LEU C C 74 178.471 178.471 178.723 -0.252 19703 1475 1 3 . 1 1 74 74 LEU CA C 74 57.865 57.865 57.296 0.569 19703 1476 1 3 . 1 1 74 74 LEU CB C 74 41.013 41.013 42.121 -1.108 19703 1477 1 3 . 1 1 74 74 LEU H H 74 8.850 8.850 7.856 0.994 19703 1478 1 3 . 1 1 75 75 ASP N N 75 115.491 115.491 119.375 -3.884 19703 1479 1 3 . 1 1 75 75 ASP HA H 75 4.320 4.320 4.500 -0.180 19703 1480 1 3 . 1 1 75 75 ASP C C 75 177.521 177.521 177.057 0.464 19703 1481 1 3 . 1 1 75 75 ASP CA C 75 57.000 57.000 56.376 0.624 19703 1482 1 3 . 1 1 75 75 ASP CB C 75 41.163 41.163 41.480 -0.317 19703 1483 1 3 . 1 1 75 75 ASP H H 75 7.439 7.439 7.966 -0.527 19703 1484 1 3 . 1 1 76 76 LEU N N 76 116.660 116.660 119.144 -2.484 19703 1485 1 3 . 1 1 76 76 LEU HA H 76 4.280 4.280 3.844 0.436 19703 1486 1 3 . 1 1 76 76 LEU C C 76 177.224 177.224 175.355 1.869 19703 1487 1 3 . 1 1 76 76 LEU CA C 76 54.067 54.067 53.597 0.470 19703 1488 1 3 . 1 1 76 76 LEU CB C 76 42.211 42.211 40.911 1.300 19703 1489 1 3 . 1 1 76 76 LEU H H 76 7.039 7.039 7.145 -0.106 19703 1490 1 3 . 1 1 77 77 ALA N N 77 123.914 123.914 123.078 0.836 19703 1491 1 3 . 1 1 77 77 ALA HA H 77 4.074 4.074 3.971 0.103 19703 1492 1 3 . 1 1 77 77 ALA C C 77 177.216 177.216 176.678 0.538 19703 1493 1 3 . 1 1 77 77 ALA CA C 77 52.304 52.304 52.197 0.107 19703 1494 1 3 . 1 1 77 77 ALA CB C 77 18.204 18.204 18.328 -0.124 19703 1495 1 3 . 1 1 77 77 ALA H H 77 7.736 7.736 6.792 0.944 19703 1496 1 3 . 1 1 78 78 PHE N N 78 122.688 122.688 123.076 -0.388 19703 1497 1 3 . 1 1 78 78 PHE HA H 78 4.415 4.415 4.601 -0.186 19703 1498 1 3 . 1 1 78 78 PHE C C 78 176.460 176.460 177.001 -0.541 19703 1499 1 3 . 1 1 78 78 PHE CA C 78 57.752 57.752 56.674 1.078 19703 1500 1 3 . 1 1 78 78 PHE CB C 78 39.221 39.221 39.476 -0.255 19703 1501 1 3 . 1 1 78 78 PHE H H 78 8.310 8.310 7.673 0.637 19703 1502 1 3 . 1 1 79 79 GLY N N 79 112.822 112.822 113.259 -0.437 19703 1503 1 3 . 1 1 79 79 GLY C C 79 174.510 174.510 173.790 0.720 19703 1504 1 3 . 1 1 79 79 GLY CA C 79 46.279 46.279 45.082 1.197 19703 1505 1 3 . 1 1 79 79 GLY H H 79 8.383 8.383 8.906 -0.523 19703 1506 1 3 . 1 1 80 80 LEU N N 80 118.988 118.988 123.177 -4.189 19703 1507 1 3 . 1 1 80 80 LEU HA H 80 3.754 3.754 4.365 -0.611 19703 1508 1 3 . 1 1 80 80 LEU C C 80 176.528 176.528 176.401 0.127 19703 1509 1 3 . 1 1 80 80 LEU CA C 80 56.497 56.497 54.832 1.665 19703 1510 1 3 . 1 1 80 80 LEU CB C 80 42.808 42.808 42.904 -0.096 19703 1511 1 3 . 1 1 80 80 LEU H H 80 6.978 6.978 7.866 -0.888 19703 1512 1 3 . 1 1 81 81 THR N N 81 118.057 118.057 113.594 4.463 19703 1513 1 3 . 1 1 81 81 THR HA H 81 4.857 4.857 4.401 0.456 19703 1514 1 3 . 1 1 81 81 THR C C 81 175.739 175.739 174.899 0.840 19703 1515 1 3 . 1 1 81 81 THR CA C 81 60.194 60.194 60.405 -0.211 19703 1516 1 3 . 1 1 81 81 THR CB C 81 73.868 73.868 70.022 3.845 19703 1517 1 3 . 1 1 81 81 THR H H 81 9.176 9.176 8.019 1.157 19703 1518 1 3 . 1 1 82 82 ASP N N 82 118.080 118.080 118.618 -0.538 19703 1519 1 3 . 1 1 82 82 ASP HA H 82 4.379 4.379 4.390 -0.011 19703 1520 1 3 . 1 1 82 82 ASP C C 82 176.700 176.700 176.296 0.404 19703 1521 1 3 . 1 1 82 82 ASP CA C 82 55.835 55.835 55.506 0.329 19703 1522 1 3 . 1 1 82 82 ASP CB C 82 40.675 40.675 40.454 0.221 19703 1523 1 3 . 1 1 82 82 ASP H H 82 8.679 8.679 8.647 0.032 19703 1524 1 3 . 1 1 83 83 THR N N 83 107.059 107.059 110.953 -3.894 19703 1525 1 3 . 1 1 83 83 THR HA H 83 4.253 4.253 4.218 0.035 19703 1526 1 3 . 1 1 83 83 THR C C 83 174.494 174.494 174.664 -0.170 19703 1527 1 3 . 1 1 83 83 THR CA C 83 59.749 59.749 63.070 -3.321 19703 1528 1 3 . 1 1 83 83 THR CB C 83 66.801 66.801 70.127 -3.326 19703 1529 1 3 . 1 1 83 83 THR H H 83 7.893 7.893 7.618 0.275 19703 1530 1 3 . 1 1 84 84 SER N N 84 121.526 121.526 116.650 4.876 19703 1531 1 3 . 1 1 84 84 SER HA H 84 5.080 5.080 4.654 0.426 19703 1532 1 3 . 1 1 84 84 SER C C 84 173.561 173.561 173.952 -0.391 19703 1533 1 3 . 1 1 84 84 SER CA C 84 61.844 61.844 57.715 4.129 19703 1534 1 3 . 1 1 84 84 SER CB C 84 64.933 64.933 64.737 0.196 19703 1535 1 3 . 1 1 84 84 SER H H 84 6.993 6.993 7.347 -0.354 19703 1536 1 3 . 1 1 85 85 ARG N N 85 118.632 118.632 120.227 -1.595 19703 1537 1 3 . 1 1 85 85 ARG HA H 85 4.809 4.809 4.733 0.076 19703 1538 1 3 . 1 1 85 85 ARG C C 85 175.213 175.213 175.844 -0.631 19703 1539 1 3 . 1 1 85 85 ARG CA C 85 52.209 52.209 54.359 -2.150 19703 1540 1 3 . 1 1 85 85 ARG CB C 85 35.685 35.685 31.898 3.787 19703 1541 1 3 . 1 1 85 85 ARG H H 85 9.358 9.358 7.945 1.413 19703 1542 1 3 . 1 1 86 86 LEU N N 86 120.203 120.203 121.443 -1.240 19703 1543 1 3 . 1 1 86 86 LEU H H 86 9.122 9.122 8.365 0.757 19703 1544 1 3 . 1 1 89 89 GLN HA H 89 4.188 4.188 4.420 -0.232 19703 1545 1 3 . 1 1 89 89 GLN C C 89 173.992 173.992 175.757 -1.765 19703 1546 1 3 . 1 1 89 89 GLN CA C 89 53.850 53.850 55.909 -2.059 19703 1547 1 3 . 1 1 89 89 GLN CB C 89 29.721 29.721 30.871 -1.150 19703 1548 1 3 . 1 1 90 90 ILE N N 90 117.060 117.060 118.874 -1.814 19703 1549 1 3 . 1 1 90 90 ILE HA H 90 3.787 3.787 3.803 -0.016 19703 1550 1 3 . 1 1 90 90 ILE C C 90 173.762 173.762 174.706 -0.944 19703 1551 1 3 . 1 1 90 90 ILE CA C 90 58.765 58.765 61.847 -3.082 19703 1552 1 3 . 1 1 90 90 ILE CB C 90 37.268 37.268 35.710 1.558 19703 1553 1 3 . 1 1 90 90 ILE H H 90 6.736 6.736 8.276 -1.540 19703 1554 1 3 . 1 1 91 91 ILE N N 91 128.173 128.173 119.180 8.993 19703 1555 1 3 . 1 1 91 91 ILE HA H 91 3.895 3.895 4.607 -0.712 19703 1556 1 3 . 1 1 91 91 ILE C C 91 175.955 175.955 175.773 0.182 19703 1557 1 3 . 1 1 91 91 ILE CA C 91 60.160 60.160 58.981 1.179 19703 1558 1 3 . 1 1 91 91 ILE CB C 91 37.104 37.104 37.989 -0.885 19703 1559 1 3 . 1 1 91 91 ILE H H 91 8.157 8.157 7.854 0.303 19703 1560 1 3 . 1 1 92 92 LEU N N 92 127.403 127.403 124.131 3.272 19703 1561 1 3 . 1 1 92 92 LEU HA H 92 4.105 4.105 4.488 -0.383 19703 1562 1 3 . 1 1 92 92 LEU C C 92 174.391 174.391 176.211 -1.820 19703 1563 1 3 . 1 1 92 92 LEU CA C 92 54.805 54.805 55.278 -0.473 19703 1564 1 3 . 1 1 92 92 LEU CB C 92 40.594 40.594 42.460 -1.866 19703 1565 1 3 . 1 1 92 92 LEU H H 92 8.979 8.979 8.571 0.408 19703 1566 1 3 . 1 1 93 93 THR N N 93 110.385 110.385 109.797 0.588 19703 1567 1 3 . 1 1 93 93 THR HA H 93 4.760 4.760 5.070 -0.310 19703 1568 1 3 . 1 1 93 93 THR C C 93 176.119 176.119 175.342 0.777 19703 1569 1 3 . 1 1 93 93 THR CA C 93 59.059 59.059 59.047 0.011 19703 1570 1 3 . 1 1 93 93 THR CB C 93 72.517 72.517 71.225 1.292 19703 1571 1 3 . 1 1 93 93 THR H H 93 6.270 6.270 8.181 -1.911 19703 1572 1 3 . 1 1 94 94 LYS N N 94 120.484 120.484 123.197 -2.713 19703 1573 1 3 . 1 1 94 94 LYS HA H 94 3.684 3.684 4.075 -0.391 19703 1574 1 3 . 1 1 94 94 LYS C C 94 177.634 177.634 177.772 -0.138 19703 1575 1 3 . 1 1 94 94 LYS CA C 94 59.586 59.586 58.857 0.729 19703 1576 1 3 . 1 1 94 94 LYS CB C 94 31.690 31.690 31.860 -0.170 19703 1577 1 3 . 1 1 94 94 LYS H H 94 9.071 9.071 8.919 0.152 19703 1578 1 3 . 1 1 95 95 GLU N N 95 118.365 118.365 119.838 -1.473 19703 1579 1 3 . 1 1 95 95 GLU HA H 95 3.960 3.960 4.123 -0.163 19703 1580 1 3 . 1 1 95 95 GLU C C 95 176.639 176.639 177.772 -1.133 19703 1581 1 3 . 1 1 95 95 GLU CA C 95 59.480 59.480 58.590 0.890 19703 1582 1 3 . 1 1 95 95 GLU CB C 95 28.224 28.224 29.211 -0.987 19703 1583 1 3 . 1 1 95 95 GLU H H 95 8.422 8.422 8.130 0.292 19703 1584 1 3 . 1 1 96 96 LEU N N 96 116.407 116.407 119.428 -3.021 19703 1585 1 3 . 1 1 96 96 LEU HA H 96 4.453 4.453 4.375 0.078 19703 1586 1 3 . 1 1 96 96 LEU C C 96 174.106 174.106 176.162 -2.056 19703 1587 1 3 . 1 1 96 96 LEU CA C 96 53.499 53.499 54.034 -0.535 19703 1588 1 3 . 1 1 96 96 LEU CB C 96 40.899 40.899 41.412 -0.513 19703 1589 1 3 . 1 1 96 96 LEU H H 96 7.727 7.727 7.441 0.286 19703 1590 1 3 . 1 1 97 97 ASP N N 97 116.722 116.722 120.262 -3.540 19703 1591 1 3 . 1 1 97 97 ASP HA H 97 4.012 4.012 4.422 -0.410 19703 1592 1 3 . 1 1 97 97 ASP C C 97 175.803 175.803 177.835 -2.032 19703 1593 1 3 . 1 1 97 97 ASP CA C 97 56.511 56.511 54.831 1.680 19703 1594 1 3 . 1 1 97 97 ASP CB C 97 41.691 41.691 40.153 1.538 19703 1595 1 3 . 1 1 97 97 ASP H H 97 7.046 7.046 7.855 -0.809 19703 1596 1 3 . 1 1 98 98 GLY N N 98 117.545 117.545 112.332 5.213 19703 1597 1 3 . 1 1 98 98 GLY C C 98 173.481 173.481 173.598 -0.117 19703 1598 1 3 . 1 1 98 98 GLY CA C 98 44.602 44.602 45.235 -0.633 19703 1599 1 3 . 1 1 98 98 GLY H H 98 8.957 8.957 8.336 0.621 19703 1600 1 3 . 1 1 99 99 LEU N N 99 122.555 122.555 122.316 0.239 19703 1601 1 3 . 1 1 99 99 LEU C C 99 173.036 173.036 175.827 -2.791 19703 1602 1 3 . 1 1 99 99 LEU CA C 99 55.737 55.737 53.842 1.895 19703 1603 1 3 . 1 1 99 99 LEU CB C 99 42.087 42.087 43.849 -1.762 19703 1604 1 3 . 1 1 99 99 LEU H H 99 7.239 7.239 7.800 -0.561 19703 1605 1 3 . 1 1 100 100 CYS N N 100 121.421 121.421 120.231 1.190 19703 1606 1 3 . 1 1 100 100 CYS HA H 100 5.219 5.219 5.005 0.214 19703 1607 1 3 . 1 1 100 100 CYS C C 100 172.184 172.184 174.199 -2.015 19703 1608 1 3 . 1 1 100 100 CYS CA C 100 54.042 54.042 57.090 -3.049 19703 1609 1 3 . 1 1 100 100 CYS CB C 100 45.330 45.330 28.561 16.769 19703 1610 1 3 . 1 1 100 100 CYS H H 100 5.355 5.355 8.264 -2.909 19703 1611 1 3 . 1 1 101 101 VAL N N 101 121.510 121.510 118.957 2.553 19703 1612 1 3 . 1 1 101 101 VAL HA H 101 4.435 4.435 4.696 -0.261 19703 1613 1 3 . 1 1 101 101 VAL C C 101 172.314 172.314 174.507 -2.193 19703 1614 1 3 . 1 1 101 101 VAL CA C 101 59.936 59.936 59.475 0.461 19703 1615 1 3 . 1 1 101 101 VAL CB C 101 34.396 34.396 35.227 -0.831 19703 1616 1 3 . 1 1 101 101 VAL H H 101 8.691 8.691 8.120 0.571 19703 1617 1 3 . 1 1 102 102 ILE N N 102 126.427 126.427 120.938 5.489 19703 1618 1 3 . 1 1 102 102 ILE HA H 102 4.505 4.505 4.301 0.204 19703 1619 1 3 . 1 1 102 102 ILE C C 102 175.584 175.584 176.952 -1.368 19703 1620 1 3 . 1 1 102 102 ILE CA C 102 60.603 60.603 59.536 1.067 19703 1621 1 3 . 1 1 102 102 ILE CB C 102 40.383 40.383 37.117 3.266 19703 1622 1 3 . 1 1 102 102 ILE H H 102 9.582 9.582 8.145 1.437 19703 1623 1 3 . 1 1 103 103 LEU N N 103 127.589 127.589 126.324 1.265 19703 1624 1 3 . 1 1 103 103 LEU HA H 103 4.665 4.665 4.758 -0.093 19703 1625 1 3 . 1 1 103 103 LEU C C 103 174.725 174.725 176.124 -1.399 19703 1626 1 3 . 1 1 103 103 LEU CA C 103 52.048 52.048 53.966 -1.918 19703 1627 1 3 . 1 1 103 103 LEU CB C 103 40.970 40.970 41.529 -0.558 19703 1628 1 3 . 1 1 103 103 LEU H H 103 8.321 8.321 7.816 0.505 19703 1629 1 3 . 1 1 104 104 PRO HA H 104 4.306 4.306 4.447 -0.141 19703 1630 1 3 . 1 1 104 104 PRO C C 104 176.389 176.389 176.639 -0.250 19703 1631 1 3 . 1 1 104 104 PRO CA C 104 62.963 62.963 64.433 -1.470 19703 1632 1 3 . 1 1 104 104 PRO CB C 104 32.265 32.265 32.075 0.190 19703 1633 1 3 . 1 1 105 105 THR N N 105 113.257 113.257 110.035 3.222 19703 1634 1 3 . 1 1 105 105 THR HA H 105 4.139 4.139 4.392 -0.253 19703 1635 1 3 . 1 1 105 105 THR C C 105 174.080 174.080 172.708 1.372 19703 1636 1 3 . 1 1 105 105 THR CA C 105 62.593 62.593 60.775 1.818 19703 1637 1 3 . 1 1 105 105 THR CB C 105 69.871 69.871 70.385 -0.514 19703 1638 1 3 . 1 1 105 105 THR H H 105 8.108 8.108 7.411 0.697 19703 1639 1 3 . 1 1 106 106 GLU N N 106 122.035 122.035 125.239 -3.204 19703 1640 1 3 . 1 1 106 106 GLU HA H 106 4.352 4.352 4.180 0.172 19703 1641 1 3 . 1 1 106 106 GLU C C 106 176.012 176.012 175.920 0.092 19703 1642 1 3 . 1 1 106 106 GLU CA C 106 56.393 56.393 56.874 -0.481 19703 1643 1 3 . 1 1 106 106 GLU CB C 106 31.113 31.113 30.137 0.976 19703 1644 1 3 . 1 1 106 106 GLU H H 106 8.291 8.291 8.523 -0.232 19703 1645 1 3 . 1 1 107 107 THR N N 107 115.185 115.185 117.968 -2.783 19703 1646 1 3 . 1 1 107 107 THR HA H 107 4.240 4.240 4.373 -0.133 19703 1647 1 3 . 1 1 107 107 THR C C 107 174.345 174.345 172.719 1.626 19703 1648 1 3 . 1 1 107 107 THR CA C 107 61.839 61.839 62.271 -0.432 19703 1649 1 3 . 1 1 107 107 THR CB C 107 70.027 70.027 69.143 0.884 19703 1650 1 3 . 1 1 107 107 THR H H 107 8.308 8.308 8.424 -0.116 19703 1651 1 3 . 1 1 108 108 ARG N N 108 122.789 122.789 124.848 -2.059 19703 1652 1 3 . 1 1 108 108 ARG HA H 108 4.133 4.133 4.506 -0.373 19703 1653 1 3 . 1 1 108 108 ARG C C 108 175.543 175.543 174.324 1.219 19703 1654 1 3 . 1 1 108 108 ARG CA C 108 56.088 56.088 56.324 -0.236 19703 1655 1 3 . 1 1 108 108 ARG CB C 108 30.906 30.906 32.786 -1.880 19703 1656 1 3 . 1 1 108 108 ARG H H 108 8.289 8.289 8.402 -0.113 19703 1657 1 3 . 1 1 109 109 ASN N N 109 120.177 120.177 119.610 0.567 19703 1658 1 3 . 1 1 109 109 ASN HA H 109 4.579 4.579 5.223 -0.644 19703 1659 1 3 . 1 1 109 109 ASN C C 109 175.106 175.106 174.010 1.096 19703 1660 1 3 . 1 1 109 109 ASN CA C 109 53.134 53.134 53.343 -0.209 19703 1661 1 3 . 1 1 109 109 ASN CB C 109 38.735 38.735 40.683 -1.948 19703 1662 1 3 . 1 1 109 109 ASN H H 109 8.365 8.365 8.779 -0.414 19703 1663 1 3 . 1 1 110 110 ILE N N 110 120.936 120.936 118.373 2.563 19703 1664 1 3 . 1 1 110 110 ILE HA H 110 4.070 4.070 4.319 -0.249 19703 1665 1 3 . 1 1 110 110 ILE C C 110 175.914 175.914 174.141 1.773 19703 1666 1 3 . 1 1 110 110 ILE CA C 110 61.340 61.340 60.809 0.531 19703 1667 1 3 . 1 1 110 110 ILE CB C 110 38.861 38.861 40.273 -1.412 19703 1668 1 3 . 1 1 110 110 ILE H H 110 7.983 7.983 8.450 -0.467 19703 1669 1 3 . 1 1 111 111 SER N N 111 118.751 118.751 118.586 0.165 19703 1670 1 3 . 1 1 111 111 SER HA H 111 4.340 4.340 4.126 0.214 19703 1671 1 3 . 1 1 111 111 SER C C 111 173.977 173.977 172.981 0.996 19703 1672 1 3 . 1 1 111 111 SER CA C 111 58.315 58.315 59.065 -0.750 19703 1673 1 3 . 1 1 111 111 SER CB C 111 63.845 63.845 62.615 1.230 19703 1674 1 3 . 1 1 111 111 SER H H 111 8.176 8.176 8.515 -0.339 19703 1675 1 3 . 1 1 112 112 PHE N N 112 122.536 122.536 118.349 4.187 19703 1676 1 3 . 1 1 112 112 PHE HA H 112 4.555 4.555 4.783 -0.228 19703 1677 1 3 . 1 1 112 112 PHE C C 112 175.282 175.282 175.624 -0.342 19703 1678 1 3 . 1 1 112 112 PHE CA C 112 57.743 57.743 56.992 0.751 19703 1679 1 3 . 1 1 112 112 PHE CB C 112 39.708 39.708 39.651 0.057 19703 1680 1 3 . 1 1 112 112 PHE H H 112 8.118 8.118 8.063 0.055 19703 1681 1 3 . 1 1 113 113 VAL N N 113 122.561 122.561 119.901 2.660 19703 1682 1 3 . 1 1 113 113 VAL HA H 113 3.922 3.922 4.192 -0.270 19703 1683 1 3 . 1 1 113 113 VAL C C 113 175.447 175.447 176.099 -0.652 19703 1684 1 3 . 1 1 113 113 VAL CA C 113 62.237 62.237 62.803 -0.566 19703 1685 1 3 . 1 1 113 113 VAL CB C 113 32.899 32.899 32.019 0.880 19703 1686 1 3 . 1 1 113 113 VAL H H 113 7.907 7.907 7.905 0.002 19703 1687 1 3 . 1 1 114 114 LYS N N 114 125.629 125.629 120.021 5.608 19703 1688 1 3 . 1 1 114 114 LYS HA H 114 4.208 4.208 4.659 -0.451 19703 1689 1 3 . 1 1 114 114 LYS C C 114 176.039 176.039 175.502 0.537 19703 1690 1 3 . 1 1 114 114 LYS CA C 114 56.316 56.316 55.318 0.998 19703 1691 1 3 . 1 1 114 114 LYS CB C 114 33.152 33.152 34.934 -1.782 19703 1692 1 3 . 1 1 114 114 LYS H H 114 8.283 8.283 7.780 0.503 19703 1693 1 3 . 1 1 115 115 ASN N N 115 121.240 121.240 117.669 3.571 19703 1694 1 3 . 1 1 115 115 ASN HA H 115 4.672 4.672 4.930 -0.258 19703 1695 1 3 . 1 1 115 115 ASN C C 115 174.230 174.230 174.597 -0.367 19703 1696 1 3 . 1 1 115 115 ASN CA C 115 53.356 53.356 52.871 0.485 19703 1697 1 3 . 1 1 115 115 ASN CB C 115 39.079 39.079 40.816 -1.737 19703 1698 1 3 . 1 1 115 115 ASN H H 115 8.452 8.452 8.538 -0.086 19703 1699 1 4 . 1 1 2 2 PRO HA H 2 4.138 4.138 4.474 -0.336 19703 1700 1 4 . 1 1 2 2 PRO C C 2 174.711 174.711 175.067 -0.356 19703 1701 1 4 . 1 1 2 2 PRO CA C 2 61.918 61.918 62.436 -0.518 19703 1702 1 4 . 1 1 2 2 PRO CB C 2 31.604 31.604 32.601 -0.997 19703 1703 1 4 . 1 1 3 3 LEU N N 3 122.430 122.430 119.198 3.232 19703 1704 1 4 . 1 1 3 3 LEU HA H 3 4.840 4.840 4.595 0.245 19703 1705 1 4 . 1 1 3 3 LEU C C 3 176.954 176.954 174.972 1.982 19703 1706 1 4 . 1 1 3 3 LEU CA C 3 53.697 53.697 54.140 -0.443 19703 1707 1 4 . 1 1 3 3 LEU CB C 3 42.404 42.404 45.483 -3.079 19703 1708 1 4 . 1 1 3 3 LEU H H 3 8.745 8.745 7.839 0.906 19703 1709 1 4 . 1 1 4 4 ILE N N 4 125.237 125.237 124.066 1.171 19703 1710 1 4 . 1 1 4 4 ILE HA H 4 4.465 4.465 4.321 0.144 19703 1711 1 4 . 1 1 4 4 ILE C C 4 174.949 174.949 175.159 -0.210 19703 1712 1 4 . 1 1 4 4 ILE CA C 4 57.967 57.967 58.742 -0.775 19703 1713 1 4 . 1 1 4 4 ILE CB C 4 38.795 38.795 38.681 0.114 19703 1714 1 4 . 1 1 4 4 ILE H H 4 8.824 8.824 7.893 0.931 19703 1715 1 4 . 1 1 5 5 THR N N 5 124.237 124.237 123.795 0.442 19703 1716 1 4 . 1 1 5 5 THR HA H 5 5.133 5.133 4.400 0.733 19703 1717 1 4 . 1 1 5 5 THR C C 5 172.705 172.705 173.617 -0.912 19703 1718 1 4 . 1 1 5 5 THR CA C 5 61.945 61.945 62.968 -1.023 19703 1719 1 4 . 1 1 5 5 THR CB C 5 70.736 70.736 68.899 1.837 19703 1720 1 4 . 1 1 5 5 THR H H 5 8.802 8.802 7.931 0.871 19703 1721 1 4 . 1 1 6 6 PHE N N 6 124.358 124.358 127.846 -3.488 19703 1722 1 4 . 1 1 6 6 PHE HA H 6 5.244 5.244 5.133 0.111 19703 1723 1 4 . 1 1 6 6 PHE C C 6 176.172 176.172 175.651 0.521 19703 1724 1 4 . 1 1 6 6 PHE CA C 6 56.309 56.309 56.012 0.297 19703 1725 1 4 . 1 1 6 6 PHE CB C 6 42.111 42.111 40.395 1.716 19703 1726 1 4 . 1 1 6 6 PHE H H 6 9.239 9.239 8.285 0.954 19703 1727 1 4 . 1 1 7 7 ILE N N 7 126.251 126.251 125.733 0.518 19703 1728 1 4 . 1 1 7 7 ILE HA H 7 4.847 4.847 4.659 0.188 19703 1729 1 4 . 1 1 7 7 ILE C C 7 176.608 176.608 175.878 0.730 19703 1730 1 4 . 1 1 7 7 ILE CA C 7 60.317 60.317 60.240 0.077 19703 1731 1 4 . 1 1 7 7 ILE CB C 7 38.252 38.252 37.821 0.431 19703 1732 1 4 . 1 1 7 7 ILE H H 7 9.509 9.509 8.054 1.455 19703 1733 1 4 . 1 1 8 8 SER N N 8 124.211 124.211 123.758 0.453 19703 1734 1 4 . 1 1 8 8 SER C C 8 174.143 174.143 174.541 -0.398 19703 1735 1 4 . 1 1 8 8 SER CA C 8 59.506 59.506 56.456 3.050 19703 1736 1 4 . 1 1 8 8 SER CB C 8 62.938 62.938 62.522 0.416 19703 1737 1 4 . 1 1 8 8 SER H H 8 8.880 8.880 8.090 0.790 19703 1738 1 4 . 1 1 9 9 PRO HA H 9 4.326 4.326 4.449 -0.123 19703 1739 1 4 . 1 1 9 9 PRO C C 9 176.530 176.530 176.517 0.013 19703 1740 1 4 . 1 1 9 9 PRO CA C 9 65.685 65.685 64.364 1.321 19703 1741 1 4 . 1 1 9 9 PRO CB C 9 31.920 31.920 31.750 0.170 19703 1742 1 4 . 1 1 10 10 ASP N N 10 113.865 113.865 117.954 -4.089 19703 1743 1 4 . 1 1 10 10 ASP HA H 10 4.413 4.413 4.653 -0.240 19703 1744 1 4 . 1 1 10 10 ASP C C 10 177.083 177.083 176.496 0.587 19703 1745 1 4 . 1 1 10 10 ASP CA C 10 53.302 53.302 53.918 -0.616 19703 1746 1 4 . 1 1 10 10 ASP CB C 10 39.571 39.571 40.285 -0.714 19703 1747 1 4 . 1 1 10 10 ASP H H 10 7.667 7.667 8.219 -0.552 19703 1748 1 4 . 1 1 11 11 GLY N N 11 109.808 109.808 107.312 2.496 19703 1749 1 4 . 1 1 11 11 GLY C C 11 174.638 174.638 174.759 -0.121 19703 1750 1 4 . 1 1 11 11 GLY CA C 11 44.844 44.844 45.712 -0.868 19703 1751 1 4 . 1 1 11 11 GLY H H 11 8.538 8.538 7.745 0.793 19703 1752 1 4 . 1 1 12 12 SER N N 12 118.381 118.381 115.346 3.035 19703 1753 1 4 . 1 1 12 12 SER HA H 12 4.224 4.224 4.683 -0.459 19703 1754 1 4 . 1 1 12 12 SER C C 12 172.370 172.370 173.827 -1.457 19703 1755 1 4 . 1 1 12 12 SER CA C 12 59.344 59.344 57.768 1.576 19703 1756 1 4 . 1 1 12 12 SER CB C 12 63.909 63.909 64.533 -0.624 19703 1757 1 4 . 1 1 12 12 SER H H 12 8.233 8.233 7.929 0.304 19703 1758 1 4 . 1 1 13 13 ARG N N 13 119.429 119.429 118.653 0.776 19703 1759 1 4 . 1 1 13 13 ARG HA H 13 5.322 5.322 5.209 0.113 19703 1760 1 4 . 1 1 13 13 ARG C C 13 175.622 175.622 175.368 0.254 19703 1761 1 4 . 1 1 13 13 ARG CA C 13 54.652 54.652 54.827 -0.175 19703 1762 1 4 . 1 1 13 13 ARG CB C 13 33.616 33.616 33.091 0.525 19703 1763 1 4 . 1 1 13 13 ARG H H 13 8.386 8.386 8.394 -0.008 19703 1764 1 4 . 1 1 14 14 LYS N N 14 122.872 122.872 124.839 -1.967 19703 1765 1 4 . 1 1 14 14 LYS HA H 14 4.409 4.409 4.773 -0.364 19703 1766 1 4 . 1 1 14 14 LYS C C 14 173.900 173.900 175.722 -1.822 19703 1767 1 4 . 1 1 14 14 LYS CA C 14 55.236 55.236 54.854 0.382 19703 1768 1 4 . 1 1 14 14 LYS CB C 14 37.200 37.200 35.062 2.138 19703 1769 1 4 . 1 1 14 14 LYS H H 14 8.313 8.313 8.999 -0.686 19703 1770 1 4 . 1 1 15 15 THR N N 15 119.577 119.577 117.869 1.708 19703 1771 1 4 . 1 1 15 15 THR HA H 15 5.021 5.021 4.699 0.322 19703 1772 1 4 . 1 1 15 15 THR C C 15 173.125 173.125 173.438 -0.313 19703 1773 1 4 . 1 1 15 15 THR CA C 15 61.744 61.744 61.913 -0.169 19703 1774 1 4 . 1 1 15 15 THR CB C 15 70.674 70.674 69.494 1.180 19703 1775 1 4 . 1 1 15 15 THR H H 15 8.058 8.058 8.571 -0.513 19703 1776 1 4 . 1 1 16 16 TYR N N 16 124.739 124.739 125.424 -0.685 19703 1777 1 4 . 1 1 16 16 TYR HA H 16 4.793 4.793 4.745 0.048 19703 1778 1 4 . 1 1 16 16 TYR C C 16 174.110 174.110 174.422 -0.312 19703 1779 1 4 . 1 1 16 16 TYR CA C 16 56.177 56.177 57.816 -1.639 19703 1780 1 4 . 1 1 16 16 TYR CB C 16 43.856 43.856 42.443 1.413 19703 1781 1 4 . 1 1 16 16 TYR H H 16 9.192 9.192 8.194 0.998 19703 1782 1 4 . 1 1 17 17 GLU N N 17 120.492 120.492 124.676 -4.184 19703 1783 1 4 . 1 1 17 17 GLU HA H 17 4.402 4.402 4.374 0.028 19703 1784 1 4 . 1 1 17 17 GLU C C 17 175.431 175.431 175.550 -0.119 19703 1785 1 4 . 1 1 17 17 GLU CA C 17 55.885 55.885 57.260 -1.375 19703 1786 1 4 . 1 1 17 17 GLU CB C 17 30.772 30.772 30.215 0.557 19703 1787 1 4 . 1 1 17 17 GLU H H 17 8.485 8.485 8.802 -0.317 19703 1788 1 4 . 1 1 18 18 ALA N N 18 127.314 127.314 127.582 -0.268 19703 1789 1 4 . 1 1 18 18 ALA HA H 18 4.289 4.289 4.916 -0.627 19703 1790 1 4 . 1 1 18 18 ALA C C 18 176.561 176.561 175.346 1.215 19703 1791 1 4 . 1 1 18 18 ALA CA C 18 50.368 50.368 50.784 -0.416 19703 1792 1 4 . 1 1 18 18 ALA CB C 18 22.174 22.174 21.980 0.194 19703 1793 1 4 . 1 1 18 18 ALA H H 18 8.394 8.394 8.090 0.304 19703 1794 1 4 . 1 1 19 19 TYR N N 19 118.845 118.845 117.538 1.307 19703 1795 1 4 . 1 1 19 19 TYR HA H 19 4.698 4.698 4.653 0.045 19703 1796 1 4 . 1 1 19 19 TYR C C 19 175.697 175.697 174.510 1.187 19703 1797 1 4 . 1 1 19 19 TYR CA C 19 55.217 55.217 56.029 -0.812 19703 1798 1 4 . 1 1 19 19 TYR CB C 19 38.407 38.407 41.975 -3.568 19703 1799 1 4 . 1 1 19 19 TYR H H 19 8.588 8.588 8.803 -0.215 19703 1800 1 4 . 1 1 20 20 ASP N N 20 121.106 121.106 118.728 2.378 19703 1801 1 4 . 1 1 20 20 ASP HA H 20 4.176 4.176 4.648 -0.472 19703 1802 1 4 . 1 1 20 20 ASP C C 20 176.460 176.460 176.309 0.151 19703 1803 1 4 . 1 1 20 20 ASP CA C 20 55.993 55.993 54.398 1.595 19703 1804 1 4 . 1 1 20 20 ASP CB C 20 41.290 41.290 40.381 0.909 19703 1805 1 4 . 1 1 20 20 ASP H H 20 8.280 8.280 8.683 -0.403 19703 1806 1 4 . 1 1 21 21 GLY N N 21 115.001 115.001 113.300 1.701 19703 1807 1 4 . 1 1 21 21 GLY C C 21 173.948 173.948 174.211 -0.263 19703 1808 1 4 . 1 1 21 21 GLY CA C 21 45.288 45.288 46.141 -0.853 19703 1809 1 4 . 1 1 21 21 GLY H H 21 9.011 9.011 8.580 0.431 19703 1810 1 4 . 1 1 22 22 GLU N N 22 121.980 121.980 120.377 1.603 19703 1811 1 4 . 1 1 22 22 GLU HA H 22 4.517 4.517 4.581 -0.064 19703 1812 1 4 . 1 1 22 22 GLU C C 22 175.114 175.114 176.124 -1.010 19703 1813 1 4 . 1 1 22 22 GLU CA C 22 55.077 55.077 55.061 0.016 19703 1814 1 4 . 1 1 22 22 GLU CB C 22 30.747 30.747 31.552 -0.805 19703 1815 1 4 . 1 1 22 22 GLU H H 22 7.856 7.856 7.641 0.215 19703 1816 1 4 . 1 1 23 23 THR N N 23 110.390 110.390 119.074 -8.684 19703 1817 1 4 . 1 1 23 23 THR HA H 23 5.382 5.382 4.353 1.029 19703 1818 1 4 . 1 1 23 23 THR C C 23 176.857 176.857 176.177 0.680 19703 1819 1 4 . 1 1 23 23 THR CA C 23 60.549 60.549 60.794 -0.245 19703 1820 1 4 . 1 1 23 23 THR CB C 23 72.554 72.554 69.793 2.761 19703 1821 1 4 . 1 1 23 23 THR H H 23 8.234 8.234 8.456 -0.222 19703 1822 1 4 . 1 1 24 24 LEU N N 24 120.243 120.243 124.684 -4.441 19703 1823 1 4 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.108 -0.086 19703 1824 1 4 . 1 1 24 24 LEU C C 24 178.102 178.102 178.268 -0.166 19703 1825 1 4 . 1 1 24 24 LEU CA C 24 58.076 58.076 57.201 0.875 19703 1826 1 4 . 1 1 24 24 LEU CB C 24 41.982 41.982 40.951 1.031 19703 1827 1 4 . 1 1 24 24 LEU H H 24 8.410 8.410 8.990 -0.580 19703 1828 1 4 . 1 1 25 25 LEU N N 25 116.005 116.005 118.389 -2.384 19703 1829 1 4 . 1 1 25 25 LEU HA H 25 3.772 3.772 3.845 -0.073 19703 1830 1 4 . 1 1 25 25 LEU C C 25 176.517 176.517 178.922 -2.405 19703 1831 1 4 . 1 1 25 25 LEU CA C 25 57.593 57.593 57.833 -0.240 19703 1832 1 4 . 1 1 25 25 LEU CB C 25 42.559 42.559 41.469 1.090 19703 1833 1 4 . 1 1 25 25 LEU H H 25 6.645 6.645 7.403 -0.758 19703 1834 1 4 . 1 1 26 26 SER N N 26 115.141 115.141 114.012 1.129 19703 1835 1 4 . 1 1 26 26 SER HA H 26 4.061 4.061 4.051 0.010 19703 1836 1 4 . 1 1 26 26 SER C C 26 177.287 177.287 176.747 0.540 19703 1837 1 4 . 1 1 26 26 SER CA C 26 61.413 61.413 60.674 0.739 19703 1838 1 4 . 1 1 26 26 SER CB C 26 62.377 62.377 63.041 -0.664 19703 1839 1 4 . 1 1 26 26 SER H H 26 7.847 7.847 7.753 0.094 19703 1840 1 4 . 1 1 27 27 LEU N N 27 122.244 122.244 124.539 -2.295 19703 1841 1 4 . 1 1 27 27 LEU HA H 27 3.837 3.837 4.079 -0.242 19703 1842 1 4 . 1 1 27 27 LEU C C 27 179.116 179.116 177.939 1.177 19703 1843 1 4 . 1 1 27 27 LEU CA C 27 58.435 58.435 57.593 0.843 19703 1844 1 4 . 1 1 27 27 LEU CB C 27 41.586 41.586 41.743 -0.157 19703 1845 1 4 . 1 1 27 27 LEU H H 27 7.869 7.869 7.295 0.574 19703 1846 1 4 . 1 1 28 28 ALA N N 28 120.875 120.875 120.310 0.565 19703 1847 1 4 . 1 1 28 28 ALA HA H 28 3.278 3.278 3.881 -0.604 19703 1848 1 4 . 1 1 28 28 ALA C C 28 179.545 179.545 179.298 0.247 19703 1849 1 4 . 1 1 28 28 ALA CA C 28 54.696 54.696 55.044 -0.348 19703 1850 1 4 . 1 1 28 28 ALA CB C 28 18.423 18.423 18.221 0.202 19703 1851 1 4 . 1 1 28 28 ALA H H 28 8.002 8.002 7.820 0.182 19703 1852 1 4 . 1 1 29 29 HIS N N 29 117.818 117.818 117.491 0.327 19703 1853 1 4 . 1 1 29 29 HIS HA H 29 4.538 4.538 4.281 0.257 19703 1854 1 4 . 1 1 29 29 HIS C C 29 178.985 178.985 178.459 0.526 19703 1855 1 4 . 1 1 29 29 HIS CA C 29 57.620 57.620 60.022 -2.402 19703 1856 1 4 . 1 1 29 29 HIS CB C 29 28.961 28.961 29.401 -0.440 19703 1857 1 4 . 1 1 29 29 HIS H H 29 8.587 8.587 8.259 0.328 19703 1858 1 4 . 1 1 30 30 ARG N N 30 118.408 118.408 119.576 -1.168 19703 1859 1 4 . 1 1 30 30 ARG HA H 30 4.111 4.111 4.097 0.014 19703 1860 1 4 . 1 1 30 30 ARG C C 30 176.361 176.361 177.722 -1.361 19703 1861 1 4 . 1 1 30 30 ARG CA C 30 58.818 58.818 59.364 -0.546 19703 1862 1 4 . 1 1 30 30 ARG CB C 30 30.001 30.001 29.874 0.127 19703 1863 1 4 . 1 1 30 30 ARG H H 30 8.264 8.264 8.087 0.177 19703 1864 1 4 . 1 1 31 31 ASN N N 31 114.401 114.401 114.362 0.039 19703 1865 1 4 . 1 1 31 31 ASN HA H 31 4.578 4.578 4.818 -0.240 19703 1866 1 4 . 1 1 31 31 ASN C C 31 172.703 172.703 174.588 -1.885 19703 1867 1 4 . 1 1 31 31 ASN CA C 31 53.405 53.405 53.039 0.366 19703 1868 1 4 . 1 1 31 31 ASN CB C 31 40.339 40.339 39.506 0.833 19703 1869 1 4 . 1 1 31 31 ASN H H 31 6.906 6.906 7.652 -0.746 19703 1870 1 4 . 1 1 32 32 ASN N N 32 114.697 114.697 116.387 -1.690 19703 1871 1 4 . 1 1 32 32 ASN HA H 32 4.232 4.232 4.258 -0.026 19703 1872 1 4 . 1 1 32 32 ASN C C 32 174.118 174.118 174.050 0.068 19703 1873 1 4 . 1 1 32 32 ASN CA C 32 54.845 54.845 54.315 0.531 19703 1874 1 4 . 1 1 32 32 ASN CB C 32 36.966 36.966 36.931 0.035 19703 1875 1 4 . 1 1 32 32 ASN H H 32 7.637 7.637 8.110 -0.473 19703 1876 1 4 . 1 1 33 33 VAL N N 33 119.649 119.649 119.338 0.311 19703 1877 1 4 . 1 1 33 33 VAL HA H 33 3.508 3.508 4.201 -0.693 19703 1878 1 4 . 1 1 33 33 VAL C C 33 176.639 176.639 175.131 1.508 19703 1879 1 4 . 1 1 33 33 VAL CA C 33 62.163 62.163 60.980 1.183 19703 1880 1 4 . 1 1 33 33 VAL CB C 33 31.566 31.566 33.881 -2.315 19703 1881 1 4 . 1 1 33 33 VAL H H 33 8.003 8.003 7.805 0.198 19703 1882 1 4 . 1 1 34 34 ASP N N 34 128.347 128.347 127.658 0.689 19703 1883 1 4 . 1 1 34 34 ASP HA H 34 4.381 4.381 4.500 -0.119 19703 1884 1 4 . 1 1 34 34 ASP C C 34 172.933 172.933 174.876 -1.943 19703 1885 1 4 . 1 1 34 34 ASP CA C 34 54.311 54.311 53.902 0.409 19703 1886 1 4 . 1 1 34 34 ASP CB C 34 39.063 39.063 38.666 0.397 19703 1887 1 4 . 1 1 34 34 ASP H H 34 8.469 8.469 8.492 -0.023 19703 1888 1 4 . 1 1 35 35 LEU N N 35 127.456 127.456 124.186 3.270 19703 1889 1 4 . 1 1 35 35 LEU HA H 35 4.391 4.391 4.551 -0.160 19703 1890 1 4 . 1 1 35 35 LEU C C 35 174.747 174.747 175.173 -0.426 19703 1891 1 4 . 1 1 35 35 LEU CA C 35 54.105 54.105 54.722 -0.617 19703 1892 1 4 . 1 1 35 35 LEU H H 35 7.864 7.864 7.994 -0.130 19703 1893 1 4 . 1 1 49 49 HIS HA H 49 4.857 4.857 4.361 0.496 19703 1894 1 4 . 1 1 49 49 HIS C C 49 173.176 173.176 173.962 -0.786 19703 1895 1 4 . 1 1 49 49 HIS CA C 49 55.342 55.342 56.617 -1.275 19703 1896 1 4 . 1 1 49 49 HIS CB C 49 29.958 29.958 28.159 1.799 19703 1897 1 4 . 1 1 50 50 VAL N N 50 119.554 119.554 117.790 1.764 19703 1898 1 4 . 1 1 50 50 VAL HA H 50 4.327 4.327 4.579 -0.252 19703 1899 1 4 . 1 1 50 50 VAL C C 50 172.122 172.122 173.261 -1.139 19703 1900 1 4 . 1 1 50 50 VAL CA C 50 59.245 59.245 59.906 -0.661 19703 1901 1 4 . 1 1 50 50 VAL CB C 50 35.976 35.976 35.838 0.138 19703 1902 1 4 . 1 1 50 50 VAL H H 50 9.210 9.210 7.668 1.542 19703 1903 1 4 . 1 1 51 51 ILE N N 51 121.739 121.739 121.251 0.488 19703 1904 1 4 . 1 1 51 51 ILE HA H 51 4.021 4.021 4.406 -0.385 19703 1905 1 4 . 1 1 51 51 ILE C C 51 175.868 175.868 173.909 1.959 19703 1906 1 4 . 1 1 51 51 ILE CA C 51 61.108 61.108 60.425 0.683 19703 1907 1 4 . 1 1 51 51 ILE CB C 51 39.340 39.340 38.985 0.355 19703 1908 1 4 . 1 1 51 51 ILE H H 51 8.279 8.279 8.291 -0.012 19703 1909 1 4 . 1 1 52 52 ILE N N 52 126.048 126.048 123.482 2.566 19703 1910 1 4 . 1 1 52 52 ILE HA H 52 4.027 4.027 4.527 -0.500 19703 1911 1 4 . 1 1 52 52 ILE C C 52 176.343 176.343 174.679 1.664 19703 1912 1 4 . 1 1 52 52 ILE CA C 52 58.856 58.856 58.248 0.608 19703 1913 1 4 . 1 1 52 52 ILE CB C 52 35.576 35.576 40.801 -5.226 19703 1914 1 4 . 1 1 52 52 ILE H H 52 8.454 8.454 7.792 0.662 19703 1915 1 4 . 1 1 53 53 ASP N N 53 127.679 127.679 118.084 9.595 19703 1916 1 4 . 1 1 53 53 ASP C C 53 176.811 176.811 176.708 0.103 19703 1917 1 4 . 1 1 53 53 ASP CA C 53 54.125 54.125 52.931 1.194 19703 1918 1 4 . 1 1 53 53 ASP CB C 53 44.609 44.609 40.151 4.458 19703 1919 1 4 . 1 1 53 53 ASP H H 53 7.698 7.698 8.348 -0.650 19703 1920 1 4 . 1 1 54 54 PRO HA H 54 4.188 4.188 4.469 -0.281 19703 1921 1 4 . 1 1 54 54 PRO C C 54 178.175 178.175 178.386 -0.211 19703 1922 1 4 . 1 1 54 54 PRO CA C 54 66.346 66.346 64.979 1.367 19703 1923 1 4 . 1 1 54 54 PRO CB C 54 32.210 32.210 32.105 0.105 19703 1924 1 4 . 1 1 55 55 SER N N 55 113.470 113.470 113.940 -0.470 19703 1925 1 4 . 1 1 55 55 SER HA H 55 4.282 4.282 4.476 -0.194 19703 1926 1 4 . 1 1 55 55 SER C C 55 174.884 174.884 175.434 -0.550 19703 1927 1 4 . 1 1 55 55 SER CA C 55 61.090 61.090 60.543 0.547 19703 1928 1 4 . 1 1 55 55 SER CB C 55 62.971 62.971 62.908 0.063 19703 1929 1 4 . 1 1 55 55 SER H H 55 8.853 8.853 8.455 0.398 19703 1930 1 4 . 1 1 56 56 TRP N N 56 120.568 120.568 119.943 0.625 19703 1931 1 4 . 1 1 56 56 TRP HA H 56 4.467 4.467 4.843 -0.376 19703 1932 1 4 . 1 1 56 56 TRP C C 56 176.386 176.386 177.318 -0.932 19703 1933 1 4 . 1 1 56 56 TRP CA C 56 58.465 58.465 57.623 0.842 19703 1934 1 4 . 1 1 56 56 TRP CB C 56 33.371 33.371 30.292 3.079 19703 1935 1 4 . 1 1 56 56 TRP H H 56 8.656 8.656 7.716 0.940 19703 1936 1 4 . 1 1 57 57 TYR N N 57 121.686 121.686 122.717 -1.031 19703 1937 1 4 . 1 1 57 57 TYR HA H 57 3.716 3.716 4.079 -0.363 19703 1938 1 4 . 1 1 57 57 TYR C C 57 176.621 176.621 177.326 -0.705 19703 1939 1 4 . 1 1 57 57 TYR CA C 57 64.137 64.137 61.365 2.772 19703 1940 1 4 . 1 1 57 57 TYR CB C 57 38.967 38.967 38.351 0.616 19703 1941 1 4 . 1 1 57 57 TYR H H 57 7.329 7.329 8.124 -0.795 19703 1942 1 4 . 1 1 58 58 ASP N N 58 119.983 119.983 118.206 1.777 19703 1943 1 4 . 1 1 58 58 ASP HA H 58 4.390 4.390 4.147 0.243 19703 1944 1 4 . 1 1 58 58 ASP C C 58 178.509 178.509 178.239 0.270 19703 1945 1 4 . 1 1 58 58 ASP CA C 58 57.914 57.914 56.717 1.197 19703 1946 1 4 . 1 1 58 58 ASP CB C 58 39.741 39.741 40.452 -0.711 19703 1947 1 4 . 1 1 58 58 ASP H H 58 9.033 9.033 7.816 1.217 19703 1948 1 4 . 1 1 59 59 ILE N N 59 122.534 122.534 119.992 2.542 19703 1949 1 4 . 1 1 59 59 ILE HA H 59 3.809 3.809 3.831 -0.022 19703 1950 1 4 . 1 1 59 59 ILE C C 59 178.418 178.418 178.050 0.368 19703 1951 1 4 . 1 1 59 59 ILE CA C 59 64.650 64.650 64.309 0.341 19703 1952 1 4 . 1 1 59 59 ILE CB C 59 38.514 38.514 38.184 0.330 19703 1953 1 4 . 1 1 59 59 ILE H H 59 7.894 7.894 7.444 0.450 19703 1954 1 4 . 1 1 60 60 VAL N N 60 118.811 118.811 116.187 2.624 19703 1955 1 4 . 1 1 60 60 VAL HA H 60 3.459 3.459 3.738 -0.279 19703 1956 1 4 . 1 1 60 60 VAL C C 60 178.294 178.294 178.040 0.254 19703 1957 1 4 . 1 1 60 60 VAL CA C 60 67.819 67.819 66.280 1.539 19703 1958 1 4 . 1 1 60 60 VAL CB C 60 31.268 31.268 31.136 0.133 19703 1959 1 4 . 1 1 60 60 VAL H H 60 8.265 8.265 8.610 -0.345 19703 1960 1 4 . 1 1 61 61 GLU N N 61 121.332 121.332 119.934 1.398 19703 1961 1 4 . 1 1 61 61 GLU HA H 61 3.625 3.625 4.093 -0.468 19703 1962 1 4 . 1 1 61 61 GLU C C 61 177.407 177.407 177.667 -0.260 19703 1963 1 4 . 1 1 61 61 GLU CA C 61 59.055 59.055 58.505 0.550 19703 1964 1 4 . 1 1 61 61 GLU CB C 61 28.425 28.425 29.657 -1.232 19703 1965 1 4 . 1 1 61 61 GLU H H 61 8.036 8.036 7.850 0.186 19703 1966 1 4 . 1 1 62 62 GLN N N 62 117.653 117.653 116.648 1.005 19703 1967 1 4 . 1 1 62 62 GLN HA H 62 3.734 3.734 4.219 -0.485 19703 1968 1 4 . 1 1 62 62 GLN C C 62 177.586 177.586 177.319 0.267 19703 1969 1 4 . 1 1 62 62 GLN CA C 62 58.476 58.476 57.665 0.811 19703 1970 1 4 . 1 1 62 62 GLN CB C 62 28.100 28.100 29.060 -0.960 19703 1971 1 4 . 1 1 62 62 GLN H H 62 7.912 7.912 7.445 0.467 19703 1972 1 4 . 1 1 63 63 HIS N N 63 113.347 113.347 119.189 -5.842 19703 1973 1 4 . 1 1 63 63 HIS HA H 63 4.438 4.438 4.464 -0.026 19703 1974 1 4 . 1 1 63 63 HIS C C 63 177.626 177.626 175.128 2.498 19703 1975 1 4 . 1 1 63 63 HIS CA C 63 56.824 56.824 58.280 -1.456 19703 1976 1 4 . 1 1 63 63 HIS CB C 63 31.805 31.805 30.514 1.291 19703 1977 1 4 . 1 1 63 63 HIS H H 63 6.929 6.929 8.318 -1.389 19703 1978 1 4 . 1 1 64 64 ASN N N 64 121.506 121.506 117.611 3.895 19703 1979 1 4 . 1 1 64 64 ASN HA H 64 5.081 5.081 4.886 0.195 19703 1980 1 4 . 1 1 64 64 ASN C C 64 172.577 172.577 174.003 -1.426 19703 1981 1 4 . 1 1 64 64 ASN CA C 64 52.317 52.317 52.047 0.270 19703 1982 1 4 . 1 1 64 64 ASN CB C 64 40.113 40.113 39.983 0.131 19703 1983 1 4 . 1 1 64 64 ASN H H 64 7.875 7.875 7.692 0.183 19703 1984 1 4 . 1 1 65 65 GLU N N 65 126.101 126.101 123.417 2.684 19703 1985 1 4 . 1 1 65 65 GLU HA H 65 4.132 4.132 4.101 0.031 19703 1986 1 4 . 1 1 65 65 GLU C C 65 176.297 176.297 175.940 0.357 19703 1987 1 4 . 1 1 65 65 GLU CA C 65 57.575 57.575 56.586 0.990 19703 1988 1 4 . 1 1 65 65 GLU CB C 65 30.195 30.195 30.190 0.005 19703 1989 1 4 . 1 1 65 65 GLU H H 65 8.791 8.791 8.524 0.267 19703 1990 1 4 . 1 1 66 66 ILE N N 66 125.274 125.274 118.163 7.111 19703 1991 1 4 . 1 1 66 66 ILE HA H 66 3.995 3.995 4.567 -0.572 19703 1992 1 4 . 1 1 66 66 ILE C C 66 176.257 176.257 175.623 0.634 19703 1993 1 4 . 1 1 66 66 ILE CA C 66 62.046 62.046 59.678 2.368 19703 1994 1 4 . 1 1 66 66 ILE CB C 66 37.899 37.899 39.661 -1.762 19703 1995 1 4 . 1 1 66 66 ILE H H 66 8.973 8.973 8.161 0.812 19703 1996 1 4 . 1 1 67 67 SER N N 67 125.487 125.487 119.244 6.243 19703 1997 1 4 . 1 1 67 67 SER HA H 67 4.439 4.439 4.590 -0.151 19703 1998 1 4 . 1 1 67 67 SER C C 67 174.736 174.736 175.084 -0.348 19703 1999 1 4 . 1 1 67 67 SER CA C 67 58.127 58.127 57.369 0.758 19703 2000 1 4 . 1 1 67 67 SER CB C 67 66.057 66.057 64.874 1.183 19703 2001 1 4 . 1 1 67 67 SER H H 67 8.585 8.585 8.057 0.528 19703 2002 1 4 . 1 1 68 68 ASP N N 68 122.043 122.043 121.823 0.220 19703 2003 1 4 . 1 1 68 68 ASP HA H 68 4.309 4.309 4.258 0.051 19703 2004 1 4 . 1 1 68 68 ASP C C 68 178.298 178.298 177.695 0.603 19703 2005 1 4 . 1 1 68 68 ASP CA C 68 57.596 57.596 56.947 0.649 19703 2006 1 4 . 1 1 68 68 ASP CB C 68 40.548 40.548 40.473 0.075 19703 2007 1 4 . 1 1 68 68 ASP H H 68 8.929 8.929 8.801 0.128 19703 2008 1 4 . 1 1 69 69 GLU N N 69 118.225 118.225 117.931 0.294 19703 2009 1 4 . 1 1 69 69 GLU HA H 69 3.960 3.960 4.069 -0.109 19703 2010 1 4 . 1 1 69 69 GLU C C 69 178.938 178.938 178.727 0.211 19703 2011 1 4 . 1 1 69 69 GLU CA C 69 60.728 60.728 58.414 2.313 19703 2012 1 4 . 1 1 69 69 GLU CB C 69 29.492 29.492 29.070 0.422 19703 2013 1 4 . 1 1 69 69 GLU H H 69 8.852 8.852 8.488 0.364 19703 2014 1 4 . 1 1 70 70 GLU N N 70 121.051 121.051 121.285 -0.234 19703 2015 1 4 . 1 1 70 70 GLU HA H 70 3.820 3.820 4.111 -0.291 19703 2016 1 4 . 1 1 70 70 GLU C C 70 177.857 177.857 179.185 -1.328 19703 2017 1 4 . 1 1 70 70 GLU CA C 70 59.443 59.443 59.483 -0.040 19703 2018 1 4 . 1 1 70 70 GLU CB C 70 28.344 28.344 29.415 -1.071 19703 2019 1 4 . 1 1 70 70 GLU H H 70 7.923 7.923 8.220 -0.297 19703 2020 1 4 . 1 1 71 71 ASN N N 71 118.461 118.461 116.566 1.895 19703 2021 1 4 . 1 1 71 71 ASN HA H 71 4.360 4.360 4.470 -0.110 19703 2022 1 4 . 1 1 71 71 ASN C C 71 177.621 177.621 176.312 1.309 19703 2023 1 4 . 1 1 71 71 ASN CA C 71 56.919 56.919 55.851 1.068 19703 2024 1 4 . 1 1 71 71 ASN CB C 71 38.688 38.688 38.602 0.085 19703 2025 1 4 . 1 1 71 71 ASN H H 71 7.988 7.988 8.562 -0.574 19703 2026 1 4 . 1 1 72 72 ASP N N 72 118.807 118.807 118.057 0.750 19703 2027 1 4 . 1 1 72 72 ASP HA H 72 4.249 4.249 4.565 -0.316 19703 2028 1 4 . 1 1 72 72 ASP C C 72 178.772 178.772 178.108 0.664 19703 2029 1 4 . 1 1 72 72 ASP CA C 72 57.507 57.507 55.846 1.661 19703 2030 1 4 . 1 1 72 72 ASP CB C 72 40.932 40.932 41.206 -0.274 19703 2031 1 4 . 1 1 72 72 ASP H H 72 8.129 8.129 7.690 0.439 19703 2032 1 4 . 1 1 73 73 MET N N 73 117.610 117.610 119.655 -2.045 19703 2033 1 4 . 1 1 73 73 MET HA H 73 4.415 4.415 4.163 0.252 19703 2034 1 4 . 1 1 73 73 MET C C 73 180.694 180.694 177.630 3.064 19703 2035 1 4 . 1 1 73 73 MET CA C 73 56.144 56.144 58.393 -2.249 19703 2036 1 4 . 1 1 73 73 MET CB C 73 34.126 34.126 32.486 1.640 19703 2037 1 4 . 1 1 73 73 MET H H 73 7.523 7.523 7.695 -0.172 19703 2038 1 4 . 1 1 74 74 LEU N N 74 123.258 123.258 119.621 3.637 19703 2039 1 4 . 1 1 74 74 LEU HA H 74 3.768 3.768 4.017 -0.249 19703 2040 1 4 . 1 1 74 74 LEU C C 74 178.471 178.471 178.879 -0.408 19703 2041 1 4 . 1 1 74 74 LEU CA C 74 57.865 57.865 58.503 -0.638 19703 2042 1 4 . 1 1 74 74 LEU CB C 74 41.013 41.013 41.690 -0.677 19703 2043 1 4 . 1 1 74 74 LEU H H 74 8.850 8.850 7.728 1.122 19703 2044 1 4 . 1 1 75 75 ASP N N 75 115.491 115.491 118.523 -3.032 19703 2045 1 4 . 1 1 75 75 ASP HA H 75 4.320 4.320 4.468 -0.148 19703 2046 1 4 . 1 1 75 75 ASP C C 75 177.521 177.521 177.643 -0.122 19703 2047 1 4 . 1 1 75 75 ASP CA C 75 57.000 57.000 56.623 0.377 19703 2048 1 4 . 1 1 75 75 ASP CB C 75 41.163 41.163 40.744 0.419 19703 2049 1 4 . 1 1 75 75 ASP H H 75 7.439 7.439 7.987 -0.548 19703 2050 1 4 . 1 1 76 76 LEU N N 76 116.660 116.660 117.951 -1.291 19703 2051 1 4 . 1 1 76 76 LEU HA H 76 4.280 4.280 4.408 -0.128 19703 2052 1 4 . 1 1 76 76 LEU C C 76 177.224 177.224 176.974 0.250 19703 2053 1 4 . 1 1 76 76 LEU CA C 76 54.067 54.067 55.106 -1.039 19703 2054 1 4 . 1 1 76 76 LEU CB C 76 42.211 42.211 42.064 0.147 19703 2055 1 4 . 1 1 76 76 LEU H H 76 7.039 7.039 7.518 -0.479 19703 2056 1 4 . 1 1 77 77 ALA N N 77 123.914 123.914 122.875 1.039 19703 2057 1 4 . 1 1 77 77 ALA HA H 77 4.074 4.074 4.173 -0.099 19703 2058 1 4 . 1 1 77 77 ALA C C 77 177.216 177.216 176.660 0.556 19703 2059 1 4 . 1 1 77 77 ALA CA C 77 52.304 52.304 52.878 -0.574 19703 2060 1 4 . 1 1 77 77 ALA CB C 77 18.204 18.204 19.010 -0.806 19703 2061 1 4 . 1 1 77 77 ALA H H 77 7.736 7.736 7.331 0.405 19703 2062 1 4 . 1 1 78 78 PHE N N 78 122.688 122.688 123.493 -0.805 19703 2063 1 4 . 1 1 78 78 PHE HA H 78 4.415 4.415 4.517 -0.102 19703 2064 1 4 . 1 1 78 78 PHE C C 78 176.460 176.460 176.288 0.172 19703 2065 1 4 . 1 1 78 78 PHE CA C 78 57.752 57.752 57.719 0.033 19703 2066 1 4 . 1 1 78 78 PHE CB C 78 39.221 39.221 41.641 -2.420 19703 2067 1 4 . 1 1 78 78 PHE H H 78 8.310 8.310 8.171 0.139 19703 2068 1 4 . 1 1 79 79 GLY N N 79 112.822 112.822 115.750 -2.928 19703 2069 1 4 . 1 1 79 79 GLY C C 79 174.510 174.510 173.504 1.006 19703 2070 1 4 . 1 1 79 79 GLY CA C 79 46.279 46.279 44.640 1.639 19703 2071 1 4 . 1 1 79 79 GLY H H 79 8.383 8.383 8.277 0.106 19703 2072 1 4 . 1 1 80 80 LEU N N 80 118.988 118.988 122.471 -3.483 19703 2073 1 4 . 1 1 80 80 LEU HA H 80 3.754 3.754 4.198 -0.444 19703 2074 1 4 . 1 1 80 80 LEU C C 80 176.528 176.528 176.650 -0.122 19703 2075 1 4 . 1 1 80 80 LEU CA C 80 56.497 56.497 55.174 1.323 19703 2076 1 4 . 1 1 80 80 LEU CB C 80 42.808 42.808 43.020 -0.212 19703 2077 1 4 . 1 1 80 80 LEU H H 80 6.978 6.978 7.737 -0.759 19703 2078 1 4 . 1 1 81 81 THR N N 81 118.057 118.057 112.486 5.571 19703 2079 1 4 . 1 1 81 81 THR HA H 81 4.857 4.857 4.328 0.529 19703 2080 1 4 . 1 1 81 81 THR C C 81 175.739 175.739 174.906 0.833 19703 2081 1 4 . 1 1 81 81 THR CA C 81 60.194 60.194 60.782 -0.588 19703 2082 1 4 . 1 1 81 81 THR CB C 81 73.868 73.868 69.776 4.092 19703 2083 1 4 . 1 1 81 81 THR H H 81 9.176 9.176 8.020 1.156 19703 2084 1 4 . 1 1 82 82 ASP N N 82 118.080 118.080 119.389 -1.309 19703 2085 1 4 . 1 1 82 82 ASP HA H 82 4.379 4.379 4.552 -0.173 19703 2086 1 4 . 1 1 82 82 ASP C C 82 176.700 176.700 176.628 0.072 19703 2087 1 4 . 1 1 82 82 ASP CA C 82 55.835 55.835 56.258 -0.423 19703 2088 1 4 . 1 1 82 82 ASP CB C 82 40.675 40.675 40.786 -0.111 19703 2089 1 4 . 1 1 82 82 ASP H H 82 8.679 8.679 8.772 -0.093 19703 2090 1 4 . 1 1 83 83 THR N N 83 107.059 107.059 108.294 -1.235 19703 2091 1 4 . 1 1 83 83 THR HA H 83 4.253 4.253 4.186 0.067 19703 2092 1 4 . 1 1 83 83 THR C C 83 174.494 174.494 174.355 0.139 19703 2093 1 4 . 1 1 83 83 THR CA C 83 59.749 59.749 61.998 -2.249 19703 2094 1 4 . 1 1 83 83 THR CB C 83 66.801 66.801 69.285 -2.484 19703 2095 1 4 . 1 1 83 83 THR H H 83 7.893 7.893 7.734 0.159 19703 2096 1 4 . 1 1 84 84 SER N N 84 121.526 121.526 116.294 5.232 19703 2097 1 4 . 1 1 84 84 SER HA H 84 5.080 5.080 4.264 0.816 19703 2098 1 4 . 1 1 84 84 SER C C 84 173.561 173.561 173.662 -0.101 19703 2099 1 4 . 1 1 84 84 SER CA C 84 61.844 61.844 58.245 3.599 19703 2100 1 4 . 1 1 84 84 SER CB C 84 64.933 64.933 64.342 0.591 19703 2101 1 4 . 1 1 84 84 SER H H 84 6.993 6.993 7.250 -0.257 19703 2102 1 4 . 1 1 85 85 ARG N N 85 118.632 118.632 119.795 -1.163 19703 2103 1 4 . 1 1 85 85 ARG HA H 85 4.809 4.809 4.700 0.109 19703 2104 1 4 . 1 1 85 85 ARG C C 85 175.213 175.213 175.488 -0.275 19703 2105 1 4 . 1 1 85 85 ARG CA C 85 52.209 52.209 54.876 -2.667 19703 2106 1 4 . 1 1 85 85 ARG CB C 85 35.685 35.685 32.139 3.546 19703 2107 1 4 . 1 1 85 85 ARG H H 85 9.358 9.358 7.827 1.531 19703 2108 1 4 . 1 1 86 86 LEU N N 86 120.203 120.203 121.301 -1.098 19703 2109 1 4 . 1 1 86 86 LEU H H 86 9.122 9.122 8.246 0.876 19703 2110 1 4 . 1 1 89 89 GLN HA H 89 4.188 4.188 4.596 -0.408 19703 2111 1 4 . 1 1 89 89 GLN C C 89 173.992 173.992 175.359 -1.367 19703 2112 1 4 . 1 1 89 89 GLN CA C 89 53.850 53.850 54.585 -0.735 19703 2113 1 4 . 1 1 89 89 GLN CB C 89 29.721 29.721 28.940 0.781 19703 2114 1 4 . 1 1 90 90 ILE N N 90 117.060 117.060 117.045 0.015 19703 2115 1 4 . 1 1 90 90 ILE HA H 90 3.787 3.787 3.669 0.118 19703 2116 1 4 . 1 1 90 90 ILE C C 90 173.762 173.762 174.386 -0.624 19703 2117 1 4 . 1 1 90 90 ILE CA C 90 58.765 58.765 62.061 -3.296 19703 2118 1 4 . 1 1 90 90 ILE CB C 90 37.268 37.268 35.316 1.952 19703 2119 1 4 . 1 1 90 90 ILE H H 90 6.736 6.736 8.184 -1.448 19703 2120 1 4 . 1 1 91 91 ILE N N 91 128.173 128.173 117.923 10.250 19703 2121 1 4 . 1 1 91 91 ILE HA H 91 3.895 3.895 4.654 -0.759 19703 2122 1 4 . 1 1 91 91 ILE C C 91 175.955 175.955 175.791 0.164 19703 2123 1 4 . 1 1 91 91 ILE CA C 91 60.160 60.160 58.795 1.365 19703 2124 1 4 . 1 1 91 91 ILE CB C 91 37.104 37.104 38.117 -1.013 19703 2125 1 4 . 1 1 91 91 ILE H H 91 8.157 8.157 7.958 0.199 19703 2126 1 4 . 1 1 92 92 LEU N N 92 127.403 127.403 123.936 3.467 19703 2127 1 4 . 1 1 92 92 LEU HA H 92 4.105 4.105 4.468 -0.363 19703 2128 1 4 . 1 1 92 92 LEU C C 92 174.391 174.391 176.434 -2.043 19703 2129 1 4 . 1 1 92 92 LEU CA C 92 54.805 54.805 55.431 -0.626 19703 2130 1 4 . 1 1 92 92 LEU CB C 92 40.594 40.594 42.409 -1.815 19703 2131 1 4 . 1 1 92 92 LEU H H 92 8.979 8.979 8.504 0.475 19703 2132 1 4 . 1 1 93 93 THR N N 93 110.385 110.385 109.772 0.613 19703 2133 1 4 . 1 1 93 93 THR HA H 93 4.760 4.760 4.892 -0.132 19703 2134 1 4 . 1 1 93 93 THR C C 93 176.119 176.119 175.273 0.846 19703 2135 1 4 . 1 1 93 93 THR CA C 93 59.059 59.059 59.901 -0.842 19703 2136 1 4 . 1 1 93 93 THR CB C 93 72.517 72.517 71.122 1.395 19703 2137 1 4 . 1 1 93 93 THR H H 93 6.270 6.270 7.955 -1.685 19703 2138 1 4 . 1 1 94 94 LYS N N 94 120.484 120.484 123.597 -3.113 19703 2139 1 4 . 1 1 94 94 LYS HA H 94 3.684 3.684 4.011 -0.327 19703 2140 1 4 . 1 1 94 94 LYS C C 94 177.634 177.634 177.933 -0.299 19703 2141 1 4 . 1 1 94 94 LYS CA C 94 59.586 59.586 59.064 0.522 19703 2142 1 4 . 1 1 94 94 LYS CB C 94 31.690 31.690 32.098 -0.408 19703 2143 1 4 . 1 1 94 94 LYS H H 94 9.071 9.071 8.831 0.240 19703 2144 1 4 . 1 1 95 95 GLU N N 95 118.365 118.365 120.208 -1.843 19703 2145 1 4 . 1 1 95 95 GLU HA H 95 3.960 3.960 4.141 -0.181 19703 2146 1 4 . 1 1 95 95 GLU C C 95 176.639 176.639 178.022 -1.383 19703 2147 1 4 . 1 1 95 95 GLU CA C 95 59.480 59.480 59.002 0.478 19703 2148 1 4 . 1 1 95 95 GLU CB C 95 28.224 28.224 29.524 -1.300 19703 2149 1 4 . 1 1 95 95 GLU H H 95 8.422 8.422 7.803 0.619 19703 2150 1 4 . 1 1 96 96 LEU N N 96 116.407 116.407 118.803 -2.396 19703 2151 1 4 . 1 1 96 96 LEU HA H 96 4.453 4.453 4.411 0.042 19703 2152 1 4 . 1 1 96 96 LEU C C 96 174.106 174.106 176.095 -1.989 19703 2153 1 4 . 1 1 96 96 LEU CA C 96 53.499 53.499 53.975 -0.476 19703 2154 1 4 . 1 1 96 96 LEU CB C 96 40.899 40.899 41.737 -0.839 19703 2155 1 4 . 1 1 96 96 LEU H H 96 7.727 7.727 7.572 0.155 19703 2156 1 4 . 1 1 97 97 ASP N N 97 116.722 116.722 120.758 -4.036 19703 2157 1 4 . 1 1 97 97 ASP HA H 97 4.012 4.012 4.370 -0.358 19703 2158 1 4 . 1 1 97 97 ASP C C 97 175.803 175.803 177.712 -1.909 19703 2159 1 4 . 1 1 97 97 ASP CA C 97 56.511 56.511 55.707 0.804 19703 2160 1 4 . 1 1 97 97 ASP CB C 97 41.691 41.691 40.791 0.900 19703 2161 1 4 . 1 1 97 97 ASP H H 97 7.046 7.046 7.880 -0.834 19703 2162 1 4 . 1 1 98 98 GLY N N 98 117.545 117.545 116.027 1.518 19703 2163 1 4 . 1 1 98 98 GLY C C 98 173.481 173.481 174.180 -0.699 19703 2164 1 4 . 1 1 98 98 GLY CA C 98 44.602 44.602 45.274 -0.672 19703 2165 1 4 . 1 1 98 98 GLY H H 98 8.957 8.957 8.226 0.731 19703 2166 1 4 . 1 1 99 99 LEU N N 99 122.555 122.555 121.537 1.018 19703 2167 1 4 . 1 1 99 99 LEU C C 99 173.036 173.036 175.948 -2.912 19703 2168 1 4 . 1 1 99 99 LEU CA C 99 55.737 55.737 53.769 1.968 19703 2169 1 4 . 1 1 99 99 LEU CB C 99 42.087 42.087 43.753 -1.666 19703 2170 1 4 . 1 1 99 99 LEU H H 99 7.239 7.239 7.731 -0.492 19703 2171 1 4 . 1 1 100 100 CYS N N 100 121.421 121.421 120.569 0.852 19703 2172 1 4 . 1 1 100 100 CYS HA H 100 5.219 5.219 5.134 0.085 19703 2173 1 4 . 1 1 100 100 CYS C C 100 172.184 172.184 174.080 -1.896 19703 2174 1 4 . 1 1 100 100 CYS CA C 100 54.042 54.042 56.372 -2.330 19703 2175 1 4 . 1 1 100 100 CYS CB C 100 45.330 45.330 27.169 18.161 19703 2176 1 4 . 1 1 100 100 CYS H H 100 5.355 5.355 8.334 -2.979 19703 2177 1 4 . 1 1 101 101 VAL N N 101 121.510 121.510 118.685 2.825 19703 2178 1 4 . 1 1 101 101 VAL HA H 101 4.435 4.435 4.658 -0.223 19703 2179 1 4 . 1 1 101 101 VAL C C 101 172.314 172.314 174.188 -1.874 19703 2180 1 4 . 1 1 101 101 VAL CA C 101 59.936 59.936 58.931 1.005 19703 2181 1 4 . 1 1 101 101 VAL CB C 101 34.396 34.396 34.506 -0.110 19703 2182 1 4 . 1 1 101 101 VAL H H 101 8.691 8.691 8.257 0.434 19703 2183 1 4 . 1 1 102 102 ILE N N 102 126.427 126.427 120.446 5.981 19703 2184 1 4 . 1 1 102 102 ILE HA H 102 4.505 4.505 4.266 0.239 19703 2185 1 4 . 1 1 102 102 ILE C C 102 175.584 175.584 176.661 -1.077 19703 2186 1 4 . 1 1 102 102 ILE CA C 102 60.603 60.603 59.921 0.682 19703 2187 1 4 . 1 1 102 102 ILE CB C 102 40.383 40.383 37.772 2.611 19703 2188 1 4 . 1 1 102 102 ILE H H 102 9.582 9.582 8.111 1.471 19703 2189 1 4 . 1 1 103 103 LEU N N 103 127.589 127.589 126.298 1.291 19703 2190 1 4 . 1 1 103 103 LEU HA H 103 4.665 4.665 3.984 0.681 19703 2191 1 4 . 1 1 103 103 LEU C C 103 174.725 174.725 176.148 -1.423 19703 2192 1 4 . 1 1 103 103 LEU CA C 103 52.048 52.048 54.415 -2.367 19703 2193 1 4 . 1 1 103 103 LEU CB C 103 40.970 40.970 40.763 0.207 19703 2194 1 4 . 1 1 103 103 LEU H H 103 8.321 8.321 8.328 -0.007 19703 2195 1 4 . 1 1 104 104 PRO HA H 104 4.306 4.306 4.322 -0.016 19703 2196 1 4 . 1 1 104 104 PRO C C 104 176.389 176.389 176.738 -0.349 19703 2197 1 4 . 1 1 104 104 PRO CA C 104 62.963 62.963 64.144 -1.181 19703 2198 1 4 . 1 1 104 104 PRO CB C 104 32.265 32.265 32.220 0.045 19703 2199 1 4 . 1 1 105 105 THR N N 105 113.257 113.257 108.297 4.960 19703 2200 1 4 . 1 1 105 105 THR HA H 105 4.139 4.139 4.321 -0.182 19703 2201 1 4 . 1 1 105 105 THR C C 105 174.080 174.080 173.159 0.921 19703 2202 1 4 . 1 1 105 105 THR CA C 105 62.593 62.593 59.940 2.653 19703 2203 1 4 . 1 1 105 105 THR CB C 105 69.871 69.871 70.529 -0.658 19703 2204 1 4 . 1 1 105 105 THR H H 105 8.108 8.108 7.291 0.817 19703 2205 1 4 . 1 1 106 106 GLU N N 106 122.035 122.035 119.564 2.471 19703 2206 1 4 . 1 1 106 106 GLU HA H 106 4.352 4.352 4.220 0.132 19703 2207 1 4 . 1 1 106 106 GLU C C 106 176.012 176.012 175.857 0.155 19703 2208 1 4 . 1 1 106 106 GLU CA C 106 56.393 56.393 56.444 -0.051 19703 2209 1 4 . 1 1 106 106 GLU CB C 106 31.113 31.113 29.766 1.347 19703 2210 1 4 . 1 1 106 106 GLU H H 106 8.291 8.291 8.314 -0.023 19703 2211 1 4 . 1 1 107 107 THR N N 107 115.185 115.185 114.865 0.320 19703 2212 1 4 . 1 1 107 107 THR HA H 107 4.240 4.240 4.006 0.234 19703 2213 1 4 . 1 1 107 107 THR C C 107 174.345 174.345 174.347 -0.002 19703 2214 1 4 . 1 1 107 107 THR CA C 107 61.839 61.839 63.033 -1.194 19703 2215 1 4 . 1 1 107 107 THR CB C 107 70.027 70.027 69.392 0.635 19703 2216 1 4 . 1 1 107 107 THR H H 107 8.308 8.308 8.488 -0.180 19703 2217 1 4 . 1 1 108 108 ARG N N 108 122.789 122.789 120.510 2.279 19703 2218 1 4 . 1 1 108 108 ARG HA H 108 4.133 4.133 4.412 -0.279 19703 2219 1 4 . 1 1 108 108 ARG C C 108 175.543 175.543 174.406 1.137 19703 2220 1 4 . 1 1 108 108 ARG CA C 108 56.088 56.088 55.277 0.811 19703 2221 1 4 . 1 1 108 108 ARG CB C 108 30.906 30.906 30.751 0.155 19703 2222 1 4 . 1 1 108 108 ARG H H 108 8.289 8.289 8.206 0.083 19703 2223 1 4 . 1 1 109 109 ASN N N 109 120.177 120.177 118.172 2.005 19703 2224 1 4 . 1 1 109 109 ASN HA H 109 4.579 4.579 4.823 -0.244 19703 2225 1 4 . 1 1 109 109 ASN C C 109 175.106 175.106 173.175 1.931 19703 2226 1 4 . 1 1 109 109 ASN CA C 109 53.134 53.134 52.545 0.589 19703 2227 1 4 . 1 1 109 109 ASN CB C 109 38.735 38.735 40.091 -1.356 19703 2228 1 4 . 1 1 109 109 ASN H H 109 8.365 8.365 7.745 0.620 19703 2229 1 4 . 1 1 110 110 ILE N N 110 120.936 120.936 119.781 1.155 19703 2230 1 4 . 1 1 110 110 ILE HA H 110 4.070 4.070 4.237 -0.167 19703 2231 1 4 . 1 1 110 110 ILE C C 110 175.914 175.914 175.205 0.709 19703 2232 1 4 . 1 1 110 110 ILE CA C 110 61.340 61.340 60.636 0.704 19703 2233 1 4 . 1 1 110 110 ILE CB C 110 38.861 38.861 39.164 -0.303 19703 2234 1 4 . 1 1 110 110 ILE H H 110 7.983 7.983 8.291 -0.308 19703 2235 1 4 . 1 1 111 111 SER N N 111 118.751 118.751 117.700 1.051 19703 2236 1 4 . 1 1 111 111 SER HA H 111 4.340 4.340 4.138 0.202 19703 2237 1 4 . 1 1 111 111 SER C C 111 173.977 173.977 172.921 1.056 19703 2238 1 4 . 1 1 111 111 SER CA C 111 58.315 58.315 59.650 -1.335 19703 2239 1 4 . 1 1 111 111 SER CB C 111 63.845 63.845 63.604 0.241 19703 2240 1 4 . 1 1 111 111 SER H H 111 8.176 8.176 7.596 0.580 19703 2241 1 4 . 1 1 112 112 PHE N N 112 122.536 122.536 122.409 0.127 19703 2242 1 4 . 1 1 112 112 PHE HA H 112 4.555 4.555 4.670 -0.115 19703 2243 1 4 . 1 1 112 112 PHE C C 112 175.282 175.282 175.205 0.077 19703 2244 1 4 . 1 1 112 112 PHE CA C 112 57.743 57.743 56.892 0.851 19703 2245 1 4 . 1 1 112 112 PHE CB C 112 39.708 39.708 38.366 1.342 19703 2246 1 4 . 1 1 112 112 PHE H H 112 8.118 8.118 8.127 -0.009 19703 2247 1 4 . 1 1 113 113 VAL N N 113 122.561 122.561 121.749 0.812 19703 2248 1 4 . 1 1 113 113 VAL HA H 113 3.922 3.922 4.457 -0.535 19703 2249 1 4 . 1 1 113 113 VAL C C 113 175.447 175.447 174.456 0.991 19703 2250 1 4 . 1 1 113 113 VAL CA C 113 62.237 62.237 59.979 2.258 19703 2251 1 4 . 1 1 113 113 VAL CB C 113 32.899 32.899 35.048 -2.150 19703 2252 1 4 . 1 1 113 113 VAL H H 113 7.907 7.907 7.563 0.344 19703 2253 1 4 . 1 1 114 114 LYS N N 114 125.629 125.629 124.219 1.410 19703 2254 1 4 . 1 1 114 114 LYS HA H 114 4.208 4.208 4.494 -0.286 19703 2255 1 4 . 1 1 114 114 LYS C C 114 176.039 176.039 175.258 0.781 19703 2256 1 4 . 1 1 114 114 LYS CA C 114 56.316 56.316 55.466 0.850 19703 2257 1 4 . 1 1 114 114 LYS CB C 114 33.152 33.152 32.854 0.298 19703 2258 1 4 . 1 1 114 114 LYS H H 114 8.283 8.283 8.332 -0.049 19703 2259 1 4 . 1 1 115 115 ASN N N 115 121.240 121.240 122.746 -1.506 19703 2260 1 4 . 1 1 115 115 ASN HA H 115 4.672 4.672 4.756 -0.084 19703 2261 1 4 . 1 1 115 115 ASN C C 115 174.230 174.230 175.210 -0.980 19703 2262 1 4 . 1 1 115 115 ASN CA C 115 53.356 53.356 53.017 0.339 19703 2263 1 4 . 1 1 115 115 ASN CB C 115 39.079 39.079 40.126 -1.047 19703 2264 1 4 . 1 1 115 115 ASN H H 115 8.452 8.452 8.446 0.006 19703 2265 1 5 . 1 1 2 2 PRO HA H 2 4.138 4.138 4.544 -0.406 19703 2266 1 5 . 1 1 2 2 PRO C C 2 174.711 174.711 175.733 -1.022 19703 2267 1 5 . 1 1 2 2 PRO CA C 2 61.918 61.918 62.828 -0.910 19703 2268 1 5 . 1 1 2 2 PRO CB C 2 31.604 31.604 32.765 -1.161 19703 2269 1 5 . 1 1 3 3 LEU N N 3 122.430 122.430 119.375 3.055 19703 2270 1 5 . 1 1 3 3 LEU HA H 3 4.840 4.840 4.606 0.234 19703 2271 1 5 . 1 1 3 3 LEU C C 3 176.954 176.954 174.907 2.047 19703 2272 1 5 . 1 1 3 3 LEU CA C 3 53.697 53.697 54.084 -0.387 19703 2273 1 5 . 1 1 3 3 LEU CB C 3 42.404 42.404 45.275 -2.871 19703 2274 1 5 . 1 1 3 3 LEU H H 3 8.745 8.745 8.085 0.660 19703 2275 1 5 . 1 1 4 4 ILE N N 4 125.237 125.237 122.099 3.138 19703 2276 1 5 . 1 1 4 4 ILE HA H 4 4.465 4.465 4.219 0.246 19703 2277 1 5 . 1 1 4 4 ILE C C 4 174.949 174.949 174.947 0.002 19703 2278 1 5 . 1 1 4 4 ILE CA C 4 57.967 57.967 58.643 -0.676 19703 2279 1 5 . 1 1 4 4 ILE CB C 4 38.795 38.795 39.189 -0.394 19703 2280 1 5 . 1 1 4 4 ILE H H 4 8.824 8.824 8.227 0.597 19703 2281 1 5 . 1 1 5 5 THR N N 5 124.237 124.237 123.151 1.086 19703 2282 1 5 . 1 1 5 5 THR HA H 5 5.133 5.133 4.555 0.578 19703 2283 1 5 . 1 1 5 5 THR C C 5 172.705 172.705 173.465 -0.760 19703 2284 1 5 . 1 1 5 5 THR CA C 5 61.945 61.945 62.078 -0.133 19703 2285 1 5 . 1 1 5 5 THR CB C 5 70.736 70.736 68.977 1.759 19703 2286 1 5 . 1 1 5 5 THR H H 5 8.802 8.802 7.922 0.880 19703 2287 1 5 . 1 1 6 6 PHE N N 6 124.358 124.358 127.701 -3.343 19703 2288 1 5 . 1 1 6 6 PHE HA H 6 5.244 5.244 5.306 -0.062 19703 2289 1 5 . 1 1 6 6 PHE C C 6 176.172 176.172 175.440 0.732 19703 2290 1 5 . 1 1 6 6 PHE CA C 6 56.309 56.309 56.459 -0.150 19703 2291 1 5 . 1 1 6 6 PHE CB C 6 42.111 42.111 39.385 2.726 19703 2292 1 5 . 1 1 6 6 PHE H H 6 9.239 9.239 8.452 0.787 19703 2293 1 5 . 1 1 7 7 ILE N N 7 126.251 126.251 125.502 0.749 19703 2294 1 5 . 1 1 7 7 ILE HA H 7 4.847 4.847 4.451 0.396 19703 2295 1 5 . 1 1 7 7 ILE C C 7 176.608 176.608 175.839 0.769 19703 2296 1 5 . 1 1 7 7 ILE CA C 7 60.317 60.317 60.918 -0.601 19703 2297 1 5 . 1 1 7 7 ILE CB C 7 38.252 38.252 38.736 -0.485 19703 2298 1 5 . 1 1 7 7 ILE H H 7 9.509 9.509 8.920 0.589 19703 2299 1 5 . 1 1 8 8 SER N N 8 124.211 124.211 121.175 3.036 19703 2300 1 5 . 1 1 8 8 SER C C 8 174.143 174.143 174.052 0.091 19703 2301 1 5 . 1 1 8 8 SER CA C 8 59.506 59.506 55.564 3.942 19703 2302 1 5 . 1 1 8 8 SER CB C 8 62.938 62.938 62.922 0.016 19703 2303 1 5 . 1 1 8 8 SER H H 8 8.880 8.880 8.315 0.565 19703 2304 1 5 . 1 1 9 9 PRO HA H 9 4.326 4.326 4.483 -0.157 19703 2305 1 5 . 1 1 9 9 PRO C C 9 176.530 176.530 176.317 0.213 19703 2306 1 5 . 1 1 9 9 PRO CA C 9 65.685 65.685 64.912 0.773 19703 2307 1 5 . 1 1 9 9 PRO CB C 9 31.920 31.920 31.505 0.415 19703 2308 1 5 . 1 1 10 10 ASP N N 10 113.865 113.865 116.208 -2.343 19703 2309 1 5 . 1 1 10 10 ASP HA H 10 4.413 4.413 4.624 -0.211 19703 2310 1 5 . 1 1 10 10 ASP C C 10 177.083 177.083 176.901 0.182 19703 2311 1 5 . 1 1 10 10 ASP CA C 10 53.302 53.302 53.346 -0.044 19703 2312 1 5 . 1 1 10 10 ASP CB C 10 39.571 39.571 40.086 -0.515 19703 2313 1 5 . 1 1 10 10 ASP H H 10 7.667 7.667 8.011 -0.344 19703 2314 1 5 . 1 1 11 11 GLY N N 11 109.808 109.808 108.160 1.648 19703 2315 1 5 . 1 1 11 11 GLY C C 11 174.638 174.638 174.587 0.051 19703 2316 1 5 . 1 1 11 11 GLY CA C 11 44.844 44.844 45.384 -0.540 19703 2317 1 5 . 1 1 11 11 GLY H H 11 8.538 8.538 7.836 0.702 19703 2318 1 5 . 1 1 12 12 SER N N 12 118.381 118.381 117.240 1.141 19703 2319 1 5 . 1 1 12 12 SER HA H 12 4.224 4.224 4.545 -0.321 19703 2320 1 5 . 1 1 12 12 SER C C 12 172.370 172.370 173.269 -0.899 19703 2321 1 5 . 1 1 12 12 SER CA C 12 59.344 59.344 58.831 0.513 19703 2322 1 5 . 1 1 12 12 SER CB C 12 63.909 63.909 63.946 -0.037 19703 2323 1 5 . 1 1 12 12 SER H H 12 8.233 8.233 7.586 0.647 19703 2324 1 5 . 1 1 13 13 ARG N N 13 119.429 119.429 117.454 1.975 19703 2325 1 5 . 1 1 13 13 ARG HA H 13 5.322 5.322 4.840 0.482 19703 2326 1 5 . 1 1 13 13 ARG C C 13 175.622 175.622 175.147 0.475 19703 2327 1 5 . 1 1 13 13 ARG CA C 13 54.652 54.652 55.398 -0.746 19703 2328 1 5 . 1 1 13 13 ARG CB C 13 33.616 33.616 32.612 1.004 19703 2329 1 5 . 1 1 13 13 ARG H H 13 8.386 8.386 8.261 0.125 19703 2330 1 5 . 1 1 14 14 LYS N N 14 122.872 122.872 124.719 -1.847 19703 2331 1 5 . 1 1 14 14 LYS HA H 14 4.409 4.409 4.856 -0.447 19703 2332 1 5 . 1 1 14 14 LYS C C 14 173.900 173.900 175.453 -1.553 19703 2333 1 5 . 1 1 14 14 LYS CA C 14 55.236 55.236 53.852 1.384 19703 2334 1 5 . 1 1 14 14 LYS CB C 14 37.200 37.200 34.829 2.371 19703 2335 1 5 . 1 1 14 14 LYS H H 14 8.313 8.313 9.182 -0.869 19703 2336 1 5 . 1 1 15 15 THR N N 15 119.577 119.577 114.077 5.500 19703 2337 1 5 . 1 1 15 15 THR HA H 15 5.021 5.021 4.965 0.056 19703 2338 1 5 . 1 1 15 15 THR C C 15 173.125 173.125 173.223 -0.098 19703 2339 1 5 . 1 1 15 15 THR CA C 15 61.744 61.744 61.253 0.491 19703 2340 1 5 . 1 1 15 15 THR CB C 15 70.674 70.674 70.549 0.125 19703 2341 1 5 . 1 1 15 15 THR H H 15 8.058 8.058 8.446 -0.388 19703 2342 1 5 . 1 1 16 16 TYR N N 16 124.739 124.739 121.123 3.616 19703 2343 1 5 . 1 1 16 16 TYR HA H 16 4.793 4.793 4.705 0.088 19703 2344 1 5 . 1 1 16 16 TYR C C 16 174.110 174.110 174.163 -0.053 19703 2345 1 5 . 1 1 16 16 TYR CA C 16 56.177 56.177 55.763 0.414 19703 2346 1 5 . 1 1 16 16 TYR CB C 16 43.856 43.856 39.786 4.070 19703 2347 1 5 . 1 1 16 16 TYR H H 16 9.192 9.192 7.423 1.769 19703 2348 1 5 . 1 1 17 17 GLU N N 17 120.492 120.492 124.711 -4.219 19703 2349 1 5 . 1 1 17 17 GLU HA H 17 4.402 4.402 4.185 0.217 19703 2350 1 5 . 1 1 17 17 GLU C C 17 175.431 175.431 175.665 -0.234 19703 2351 1 5 . 1 1 17 17 GLU CA C 17 55.885 55.885 57.772 -1.887 19703 2352 1 5 . 1 1 17 17 GLU CB C 17 30.772 30.772 29.545 1.227 19703 2353 1 5 . 1 1 17 17 GLU H H 17 8.485 8.485 8.914 -0.429 19703 2354 1 5 . 1 1 18 18 ALA N N 18 127.314 127.314 128.599 -1.285 19703 2355 1 5 . 1 1 18 18 ALA HA H 18 4.289 4.289 4.774 -0.485 19703 2356 1 5 . 1 1 18 18 ALA C C 18 176.561 176.561 175.511 1.050 19703 2357 1 5 . 1 1 18 18 ALA CA C 18 50.368 50.368 51.523 -1.155 19703 2358 1 5 . 1 1 18 18 ALA CB C 18 22.174 22.174 21.885 0.289 19703 2359 1 5 . 1 1 18 18 ALA H H 18 8.394 8.394 8.289 0.105 19703 2360 1 5 . 1 1 19 19 TYR N N 19 118.845 118.845 116.923 1.922 19703 2361 1 5 . 1 1 19 19 TYR HA H 19 4.698 4.698 4.691 0.007 19703 2362 1 5 . 1 1 19 19 TYR C C 19 175.697 175.697 174.744 0.953 19703 2363 1 5 . 1 1 19 19 TYR CA C 19 55.217 55.217 56.535 -1.318 19703 2364 1 5 . 1 1 19 19 TYR CB C 19 38.407 38.407 41.778 -3.371 19703 2365 1 5 . 1 1 19 19 TYR H H 19 8.588 8.588 8.544 0.044 19703 2366 1 5 . 1 1 20 20 ASP N N 20 121.106 121.106 120.221 0.885 19703 2367 1 5 . 1 1 20 20 ASP HA H 20 4.176 4.176 4.716 -0.540 19703 2368 1 5 . 1 1 20 20 ASP C C 20 176.460 176.460 175.828 0.632 19703 2369 1 5 . 1 1 20 20 ASP CA C 20 55.993 55.993 54.889 1.104 19703 2370 1 5 . 1 1 20 20 ASP CB C 20 41.290 41.290 40.220 1.070 19703 2371 1 5 . 1 1 20 20 ASP H H 20 8.280 8.280 8.544 -0.264 19703 2372 1 5 . 1 1 21 21 GLY N N 21 115.001 115.001 112.253 2.748 19703 2373 1 5 . 1 1 21 21 GLY C C 21 173.948 173.948 174.142 -0.194 19703 2374 1 5 . 1 1 21 21 GLY CA C 21 45.288 45.288 45.734 -0.447 19703 2375 1 5 . 1 1 21 21 GLY H H 21 9.011 9.011 8.438 0.573 19703 2376 1 5 . 1 1 22 22 GLU N N 22 121.980 121.980 121.043 0.937 19703 2377 1 5 . 1 1 22 22 GLU HA H 22 4.517 4.517 4.498 0.019 19703 2378 1 5 . 1 1 22 22 GLU C C 22 175.114 175.114 176.039 -0.925 19703 2379 1 5 . 1 1 22 22 GLU CA C 22 55.077 55.077 55.128 -0.051 19703 2380 1 5 . 1 1 22 22 GLU CB C 22 30.747 30.747 30.642 0.105 19703 2381 1 5 . 1 1 22 22 GLU H H 22 7.856 7.856 7.777 0.079 19703 2382 1 5 . 1 1 23 23 THR N N 23 110.390 110.390 120.013 -9.623 19703 2383 1 5 . 1 1 23 23 THR HA H 23 5.382 5.382 4.318 1.064 19703 2384 1 5 . 1 1 23 23 THR C C 23 176.857 176.857 176.008 0.849 19703 2385 1 5 . 1 1 23 23 THR CA C 23 60.549 60.549 62.162 -1.613 19703 2386 1 5 . 1 1 23 23 THR CB C 23 72.554 72.554 70.173 2.381 19703 2387 1 5 . 1 1 23 23 THR H H 23 8.234 8.234 8.358 -0.124 19703 2388 1 5 . 1 1 24 24 LEU N N 24 120.243 120.243 124.132 -3.889 19703 2389 1 5 . 1 1 24 24 LEU HA H 24 4.022 4.022 3.926 0.096 19703 2390 1 5 . 1 1 24 24 LEU C C 24 178.102 178.102 178.774 -0.672 19703 2391 1 5 . 1 1 24 24 LEU CA C 24 58.076 58.076 58.502 -0.426 19703 2392 1 5 . 1 1 24 24 LEU CB C 24 41.982 41.982 41.462 0.520 19703 2393 1 5 . 1 1 24 24 LEU H H 24 8.410 8.410 8.879 -0.469 19703 2394 1 5 . 1 1 25 25 LEU N N 25 116.005 116.005 118.648 -2.643 19703 2395 1 5 . 1 1 25 25 LEU HA H 25 3.772 3.772 3.849 -0.077 19703 2396 1 5 . 1 1 25 25 LEU C C 25 176.517 176.517 179.088 -2.571 19703 2397 1 5 . 1 1 25 25 LEU CA C 25 57.593 57.593 58.299 -0.706 19703 2398 1 5 . 1 1 25 25 LEU CB C 25 42.559 42.559 41.655 0.904 19703 2399 1 5 . 1 1 25 25 LEU H H 25 6.645 6.645 7.538 -0.893 19703 2400 1 5 . 1 1 26 26 SER N N 26 115.141 115.141 113.920 1.221 19703 2401 1 5 . 1 1 26 26 SER HA H 26 4.061 4.061 4.101 -0.040 19703 2402 1 5 . 1 1 26 26 SER C C 26 177.287 177.287 176.073 1.214 19703 2403 1 5 . 1 1 26 26 SER CA C 26 61.413 61.413 61.310 0.103 19703 2404 1 5 . 1 1 26 26 SER CB C 26 62.377 62.377 62.858 -0.481 19703 2405 1 5 . 1 1 26 26 SER H H 26 7.847 7.847 7.780 0.067 19703 2406 1 5 . 1 1 27 27 LEU N N 27 122.244 122.244 122.286 -0.042 19703 2407 1 5 . 1 1 27 27 LEU HA H 27 3.837 3.837 4.180 -0.343 19703 2408 1 5 . 1 1 27 27 LEU C C 27 179.116 179.116 178.042 1.074 19703 2409 1 5 . 1 1 27 27 LEU CA C 27 58.435 58.435 57.370 1.065 19703 2410 1 5 . 1 1 27 27 LEU CB C 27 41.586 41.586 41.498 0.088 19703 2411 1 5 . 1 1 27 27 LEU H H 27 7.869 7.869 7.384 0.485 19703 2412 1 5 . 1 1 28 28 ALA N N 28 120.875 120.875 121.087 -0.212 19703 2413 1 5 . 1 1 28 28 ALA HA H 28 3.278 3.278 3.883 -0.605 19703 2414 1 5 . 1 1 28 28 ALA C C 28 179.545 179.545 178.925 0.620 19703 2415 1 5 . 1 1 28 28 ALA CA C 28 54.696 54.696 55.395 -0.699 19703 2416 1 5 . 1 1 28 28 ALA CB C 28 18.423 18.423 17.938 0.485 19703 2417 1 5 . 1 1 28 28 ALA H H 28 8.002 8.002 7.848 0.154 19703 2418 1 5 . 1 1 29 29 HIS N N 29 117.818 117.818 118.467 -0.649 19703 2419 1 5 . 1 1 29 29 HIS HA H 29 4.538 4.538 4.299 0.239 19703 2420 1 5 . 1 1 29 29 HIS C C 29 178.985 178.985 177.926 1.059 19703 2421 1 5 . 1 1 29 29 HIS CA C 29 57.620 57.620 59.454 -1.834 19703 2422 1 5 . 1 1 29 29 HIS CB C 29 28.961 28.961 29.995 -1.034 19703 2423 1 5 . 1 1 29 29 HIS H H 29 8.587 8.587 7.702 0.885 19703 2424 1 5 . 1 1 30 30 ARG N N 30 118.408 118.408 117.873 0.535 19703 2425 1 5 . 1 1 30 30 ARG HA H 30 4.111 4.111 4.090 0.021 19703 2426 1 5 . 1 1 30 30 ARG C C 30 176.361 176.361 177.977 -1.616 19703 2427 1 5 . 1 1 30 30 ARG CA C 30 58.818 58.818 57.695 1.123 19703 2428 1 5 . 1 1 30 30 ARG CB C 30 30.001 30.001 29.745 0.256 19703 2429 1 5 . 1 1 30 30 ARG H H 30 8.264 8.264 7.951 0.313 19703 2430 1 5 . 1 1 31 31 ASN N N 31 114.401 114.401 115.652 -1.251 19703 2431 1 5 . 1 1 31 31 ASN HA H 31 4.578 4.578 4.731 -0.153 19703 2432 1 5 . 1 1 31 31 ASN C C 31 172.703 172.703 174.308 -1.605 19703 2433 1 5 . 1 1 31 31 ASN CA C 31 53.405 53.405 53.474 -0.069 19703 2434 1 5 . 1 1 31 31 ASN CB C 31 40.339 40.339 39.112 1.227 19703 2435 1 5 . 1 1 31 31 ASN H H 31 6.906 6.906 7.982 -1.076 19703 2436 1 5 . 1 1 32 32 ASN N N 32 114.697 114.697 114.339 0.358 19703 2437 1 5 . 1 1 32 32 ASN HA H 32 4.232 4.232 4.172 0.060 19703 2438 1 5 . 1 1 32 32 ASN C C 32 174.118 174.118 173.985 0.133 19703 2439 1 5 . 1 1 32 32 ASN CA C 32 54.845 54.845 54.111 0.734 19703 2440 1 5 . 1 1 32 32 ASN CB C 32 36.966 36.966 36.287 0.679 19703 2441 1 5 . 1 1 32 32 ASN H H 32 7.637 7.637 7.451 0.186 19703 2442 1 5 . 1 1 33 33 VAL N N 33 119.649 119.649 119.487 0.162 19703 2443 1 5 . 1 1 33 33 VAL HA H 33 3.508 3.508 4.198 -0.690 19703 2444 1 5 . 1 1 33 33 VAL C C 33 176.639 176.639 174.836 1.803 19703 2445 1 5 . 1 1 33 33 VAL CA C 33 62.163 62.163 60.971 1.192 19703 2446 1 5 . 1 1 33 33 VAL CB C 33 31.566 31.566 33.696 -2.130 19703 2447 1 5 . 1 1 33 33 VAL H H 33 8.003 8.003 7.967 0.036 19703 2448 1 5 . 1 1 34 34 ASP N N 34 128.347 128.347 127.516 0.831 19703 2449 1 5 . 1 1 34 34 ASP HA H 34 4.381 4.381 4.686 -0.305 19703 2450 1 5 . 1 1 34 34 ASP C C 34 172.933 172.933 175.236 -2.303 19703 2451 1 5 . 1 1 34 34 ASP CA C 34 54.311 54.311 54.896 -0.585 19703 2452 1 5 . 1 1 34 34 ASP CB C 34 39.063 39.063 40.030 -0.967 19703 2453 1 5 . 1 1 34 34 ASP H H 34 8.469 8.469 8.561 -0.092 19703 2454 1 5 . 1 1 35 35 LEU N N 35 127.456 127.456 125.243 2.213 19703 2455 1 5 . 1 1 35 35 LEU HA H 35 4.391 4.391 4.538 -0.147 19703 2456 1 5 . 1 1 35 35 LEU C C 35 174.747 174.747 175.599 -0.852 19703 2457 1 5 . 1 1 35 35 LEU CA C 35 54.105 54.105 53.739 0.366 19703 2458 1 5 . 1 1 35 35 LEU H H 35 7.864 7.864 7.747 0.117 19703 2459 1 5 . 1 1 49 49 HIS HA H 49 4.857 4.857 4.520 0.337 19703 2460 1 5 . 1 1 49 49 HIS C C 49 173.176 173.176 174.054 -0.878 19703 2461 1 5 . 1 1 49 49 HIS CA C 49 55.342 55.342 55.514 -0.172 19703 2462 1 5 . 1 1 49 49 HIS CB C 49 29.958 29.958 29.942 0.016 19703 2463 1 5 . 1 1 50 50 VAL N N 50 119.554 119.554 114.198 5.356 19703 2464 1 5 . 1 1 50 50 VAL HA H 50 4.327 4.327 4.565 -0.238 19703 2465 1 5 . 1 1 50 50 VAL C C 50 172.122 172.122 173.670 -1.548 19703 2466 1 5 . 1 1 50 50 VAL CA C 50 59.245 59.245 60.609 -1.364 19703 2467 1 5 . 1 1 50 50 VAL CB C 50 35.976 35.976 34.902 1.074 19703 2468 1 5 . 1 1 50 50 VAL H H 50 9.210 9.210 8.427 0.783 19703 2469 1 5 . 1 1 51 51 ILE N N 51 121.739 121.739 121.853 -0.114 19703 2470 1 5 . 1 1 51 51 ILE HA H 51 4.021 4.021 4.480 -0.459 19703 2471 1 5 . 1 1 51 51 ILE C C 51 175.868 175.868 174.117 1.751 19703 2472 1 5 . 1 1 51 51 ILE CA C 51 61.108 61.108 60.344 0.764 19703 2473 1 5 . 1 1 51 51 ILE CB C 51 39.340 39.340 38.678 0.661 19703 2474 1 5 . 1 1 51 51 ILE H H 51 8.279 8.279 8.373 -0.094 19703 2475 1 5 . 1 1 52 52 ILE N N 52 126.048 126.048 123.928 2.120 19703 2476 1 5 . 1 1 52 52 ILE HA H 52 4.027 4.027 4.556 -0.529 19703 2477 1 5 . 1 1 52 52 ILE C C 52 176.343 176.343 174.702 1.641 19703 2478 1 5 . 1 1 52 52 ILE CA C 52 58.856 58.856 58.194 0.662 19703 2479 1 5 . 1 1 52 52 ILE CB C 52 35.576 35.576 40.619 -5.043 19703 2480 1 5 . 1 1 52 52 ILE H H 52 8.454 8.454 7.919 0.535 19703 2481 1 5 . 1 1 53 53 ASP N N 53 127.679 127.679 117.723 9.956 19703 2482 1 5 . 1 1 53 53 ASP C C 53 176.811 176.811 176.676 0.135 19703 2483 1 5 . 1 1 53 53 ASP CA C 53 54.125 54.125 53.106 1.019 19703 2484 1 5 . 1 1 53 53 ASP CB C 53 44.609 44.609 40.512 4.097 19703 2485 1 5 . 1 1 53 53 ASP H H 53 7.698 7.698 8.391 -0.693 19703 2486 1 5 . 1 1 54 54 PRO HA H 54 4.188 4.188 4.428 -0.240 19703 2487 1 5 . 1 1 54 54 PRO C C 54 178.175 178.175 178.298 -0.123 19703 2488 1 5 . 1 1 54 54 PRO CA C 54 66.346 66.346 64.829 1.517 19703 2489 1 5 . 1 1 54 54 PRO CB C 54 32.210 32.210 32.190 0.020 19703 2490 1 5 . 1 1 55 55 SER N N 55 113.470 113.470 112.946 0.524 19703 2491 1 5 . 1 1 55 55 SER HA H 55 4.282 4.282 4.482 -0.200 19703 2492 1 5 . 1 1 55 55 SER C C 55 174.884 174.884 175.415 -0.531 19703 2493 1 5 . 1 1 55 55 SER CA C 55 61.090 61.090 60.235 0.855 19703 2494 1 5 . 1 1 55 55 SER CB C 55 62.971 62.971 63.114 -0.143 19703 2495 1 5 . 1 1 55 55 SER H H 55 8.853 8.853 8.403 0.450 19703 2496 1 5 . 1 1 56 56 TRP N N 56 120.568 120.568 121.224 -0.656 19703 2497 1 5 . 1 1 56 56 TRP HA H 56 4.467 4.467 4.765 -0.298 19703 2498 1 5 . 1 1 56 56 TRP C C 56 176.386 176.386 177.144 -0.758 19703 2499 1 5 . 1 1 56 56 TRP CA C 56 58.465 58.465 58.563 -0.098 19703 2500 1 5 . 1 1 56 56 TRP CB C 56 33.371 33.371 30.251 3.120 19703 2501 1 5 . 1 1 56 56 TRP H H 56 8.656 8.656 7.834 0.822 19703 2502 1 5 . 1 1 57 57 TYR N N 57 121.686 121.686 122.563 -0.877 19703 2503 1 5 . 1 1 57 57 TYR HA H 57 3.716 3.716 4.052 -0.336 19703 2504 1 5 . 1 1 57 57 TYR C C 57 176.621 176.621 177.114 -0.493 19703 2505 1 5 . 1 1 57 57 TYR CA C 57 64.137 64.137 61.950 2.188 19703 2506 1 5 . 1 1 57 57 TYR CB C 57 38.967 38.967 38.443 0.524 19703 2507 1 5 . 1 1 57 57 TYR H H 57 7.329 7.329 8.149 -0.820 19703 2508 1 5 . 1 1 58 58 ASP N N 58 119.983 119.983 118.043 1.940 19703 2509 1 5 . 1 1 58 58 ASP HA H 58 4.390 4.390 4.160 0.230 19703 2510 1 5 . 1 1 58 58 ASP C C 58 178.509 178.509 177.998 0.511 19703 2511 1 5 . 1 1 58 58 ASP CA C 58 57.914 57.914 56.175 1.739 19703 2512 1 5 . 1 1 58 58 ASP CB C 58 39.741 39.741 40.484 -0.743 19703 2513 1 5 . 1 1 58 58 ASP H H 58 9.033 9.033 8.171 0.862 19703 2514 1 5 . 1 1 59 59 ILE N N 59 122.534 122.534 120.034 2.500 19703 2515 1 5 . 1 1 59 59 ILE HA H 59 3.809 3.809 3.803 0.006 19703 2516 1 5 . 1 1 59 59 ILE C C 59 178.418 178.418 177.838 0.580 19703 2517 1 5 . 1 1 59 59 ILE CA C 59 64.650 64.650 64.444 0.206 19703 2518 1 5 . 1 1 59 59 ILE CB C 59 38.514 38.514 38.274 0.240 19703 2519 1 5 . 1 1 59 59 ILE H H 59 7.894 7.894 7.437 0.457 19703 2520 1 5 . 1 1 60 60 VAL N N 60 118.811 118.811 117.476 1.335 19703 2521 1 5 . 1 1 60 60 VAL HA H 60 3.459 3.459 3.868 -0.409 19703 2522 1 5 . 1 1 60 60 VAL C C 60 178.294 178.294 177.955 0.339 19703 2523 1 5 . 1 1 60 60 VAL CA C 60 67.819 67.819 65.225 2.594 19703 2524 1 5 . 1 1 60 60 VAL CB C 60 31.268 31.268 30.579 0.689 19703 2525 1 5 . 1 1 60 60 VAL H H 60 8.265 8.265 8.436 -0.171 19703 2526 1 5 . 1 1 61 61 GLU N N 61 121.332 121.332 119.507 1.825 19703 2527 1 5 . 1 1 61 61 GLU HA H 61 3.625 3.625 3.953 -0.328 19703 2528 1 5 . 1 1 61 61 GLU C C 61 177.407 177.407 177.107 0.300 19703 2529 1 5 . 1 1 61 61 GLU CA C 61 59.055 59.055 58.945 0.110 19703 2530 1 5 . 1 1 61 61 GLU CB C 61 28.425 28.425 29.547 -1.121 19703 2531 1 5 . 1 1 61 61 GLU H H 61 8.036 8.036 7.992 0.044 19703 2532 1 5 . 1 1 62 62 GLN N N 62 117.653 117.653 115.164 2.489 19703 2533 1 5 . 1 1 62 62 GLN HA H 62 3.734 3.734 4.120 -0.386 19703 2534 1 5 . 1 1 62 62 GLN C C 62 177.586 177.586 177.131 0.455 19703 2535 1 5 . 1 1 62 62 GLN CA C 62 58.476 58.476 57.724 0.752 19703 2536 1 5 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.831 -0.730 19703 2537 1 5 . 1 1 62 62 GLN H H 62 7.912 7.912 7.220 0.692 19703 2538 1 5 . 1 1 63 63 HIS N N 63 113.347 113.347 119.590 -6.243 19703 2539 1 5 . 1 1 63 63 HIS HA H 63 4.438 4.438 4.499 -0.061 19703 2540 1 5 . 1 1 63 63 HIS C C 63 177.626 177.626 175.170 2.456 19703 2541 1 5 . 1 1 63 63 HIS CA C 63 56.824 56.824 57.610 -0.786 19703 2542 1 5 . 1 1 63 63 HIS CB C 63 31.805 31.805 30.427 1.378 19703 2543 1 5 . 1 1 63 63 HIS H H 63 6.929 6.929 8.338 -1.409 19703 2544 1 5 . 1 1 64 64 ASN N N 64 121.506 121.506 118.310 3.196 19703 2545 1 5 . 1 1 64 64 ASN HA H 64 5.081 5.081 4.623 0.458 19703 2546 1 5 . 1 1 64 64 ASN C C 64 172.577 172.577 174.379 -1.802 19703 2547 1 5 . 1 1 64 64 ASN CA C 64 52.317 52.317 52.474 -0.157 19703 2548 1 5 . 1 1 64 64 ASN CB C 64 40.113 40.113 38.964 1.149 19703 2549 1 5 . 1 1 64 64 ASN H H 64 7.875 7.875 7.636 0.239 19703 2550 1 5 . 1 1 65 65 GLU N N 65 126.101 126.101 124.037 2.064 19703 2551 1 5 . 1 1 65 65 GLU HA H 65 4.132 4.132 4.153 -0.021 19703 2552 1 5 . 1 1 65 65 GLU C C 65 176.297 176.297 176.416 -0.119 19703 2553 1 5 . 1 1 65 65 GLU CA C 65 57.575 57.575 56.600 0.975 19703 2554 1 5 . 1 1 65 65 GLU CB C 65 30.195 30.195 30.238 -0.043 19703 2555 1 5 . 1 1 65 65 GLU H H 65 8.791 8.791 8.505 0.286 19703 2556 1 5 . 1 1 66 66 ILE N N 66 125.274 125.274 119.261 6.013 19703 2557 1 5 . 1 1 66 66 ILE HA H 66 3.995 3.995 4.420 -0.425 19703 2558 1 5 . 1 1 66 66 ILE C C 66 176.257 176.257 175.148 1.109 19703 2559 1 5 . 1 1 66 66 ILE CA C 66 62.046 62.046 60.248 1.798 19703 2560 1 5 . 1 1 66 66 ILE CB C 66 37.899 37.899 39.382 -1.483 19703 2561 1 5 . 1 1 66 66 ILE H H 66 8.973 8.973 8.102 0.871 19703 2562 1 5 . 1 1 67 67 SER N N 67 125.487 125.487 120.991 4.496 19703 2563 1 5 . 1 1 67 67 SER HA H 67 4.439 4.439 4.555 -0.116 19703 2564 1 5 . 1 1 67 67 SER C C 67 174.736 174.736 175.234 -0.498 19703 2565 1 5 . 1 1 67 67 SER CA C 67 58.127 58.127 57.391 0.737 19703 2566 1 5 . 1 1 67 67 SER CB C 67 66.057 66.057 64.497 1.560 19703 2567 1 5 . 1 1 67 67 SER H H 67 8.585 8.585 8.350 0.235 19703 2568 1 5 . 1 1 68 68 ASP N N 68 122.043 122.043 121.736 0.307 19703 2569 1 5 . 1 1 68 68 ASP HA H 68 4.309 4.309 4.373 -0.064 19703 2570 1 5 . 1 1 68 68 ASP C C 68 178.298 178.298 177.998 0.300 19703 2571 1 5 . 1 1 68 68 ASP CA C 68 57.596 57.596 57.394 0.202 19703 2572 1 5 . 1 1 68 68 ASP CB C 68 40.548 40.548 40.547 0.001 19703 2573 1 5 . 1 1 68 68 ASP H H 68 8.929 8.929 8.803 0.126 19703 2574 1 5 . 1 1 69 69 GLU N N 69 118.225 118.225 118.153 0.072 19703 2575 1 5 . 1 1 69 69 GLU HA H 69 3.960 3.960 4.074 -0.114 19703 2576 1 5 . 1 1 69 69 GLU C C 69 178.938 178.938 178.571 0.367 19703 2577 1 5 . 1 1 69 69 GLU CA C 69 60.728 60.728 58.907 1.821 19703 2578 1 5 . 1 1 69 69 GLU CB C 69 29.492 29.492 29.119 0.373 19703 2579 1 5 . 1 1 69 69 GLU H H 69 8.852 8.852 8.367 0.485 19703 2580 1 5 . 1 1 70 70 GLU N N 70 121.051 121.051 121.062 -0.011 19703 2581 1 5 . 1 1 70 70 GLU HA H 70 3.820 3.820 4.093 -0.273 19703 2582 1 5 . 1 1 70 70 GLU C C 70 177.857 177.857 178.544 -0.687 19703 2583 1 5 . 1 1 70 70 GLU CA C 70 59.443 59.443 58.991 0.452 19703 2584 1 5 . 1 1 70 70 GLU CB C 70 28.344 28.344 29.172 -0.828 19703 2585 1 5 . 1 1 70 70 GLU H H 70 7.923 7.923 8.231 -0.308 19703 2586 1 5 . 1 1 71 71 ASN N N 71 118.461 118.461 116.716 1.745 19703 2587 1 5 . 1 1 71 71 ASN HA H 71 4.360 4.360 4.411 -0.051 19703 2588 1 5 . 1 1 71 71 ASN C C 71 177.621 177.621 176.882 0.739 19703 2589 1 5 . 1 1 71 71 ASN CA C 71 56.919 56.919 55.733 1.185 19703 2590 1 5 . 1 1 71 71 ASN CB C 71 38.688 38.688 38.678 0.010 19703 2591 1 5 . 1 1 71 71 ASN H H 71 7.988 7.988 8.299 -0.311 19703 2592 1 5 . 1 1 72 72 ASP N N 72 118.807 118.807 119.627 -0.820 19703 2593 1 5 . 1 1 72 72 ASP HA H 72 4.249 4.249 4.530 -0.281 19703 2594 1 5 . 1 1 72 72 ASP C C 72 178.772 178.772 178.397 0.375 19703 2595 1 5 . 1 1 72 72 ASP CA C 72 57.507 57.507 56.259 1.248 19703 2596 1 5 . 1 1 72 72 ASP CB C 72 40.932 40.932 41.173 -0.241 19703 2597 1 5 . 1 1 72 72 ASP H H 72 8.129 8.129 7.585 0.544 19703 2598 1 5 . 1 1 73 73 MET N N 73 117.610 117.610 121.097 -3.487 19703 2599 1 5 . 1 1 73 73 MET HA H 73 4.415 4.415 4.263 0.152 19703 2600 1 5 . 1 1 73 73 MET C C 73 180.694 180.694 177.648 3.046 19703 2601 1 5 . 1 1 73 73 MET CA C 73 56.144 56.144 57.163 -1.020 19703 2602 1 5 . 1 1 73 73 MET CB C 73 34.126 34.126 32.578 1.548 19703 2603 1 5 . 1 1 73 73 MET H H 73 7.523 7.523 7.706 -0.183 19703 2604 1 5 . 1 1 74 74 LEU N N 74 123.258 123.258 119.252 4.006 19703 2605 1 5 . 1 1 74 74 LEU HA H 74 3.768 3.768 4.008 -0.240 19703 2606 1 5 . 1 1 74 74 LEU C C 74 178.471 178.471 177.594 0.877 19703 2607 1 5 . 1 1 74 74 LEU CA C 74 57.865 57.865 57.600 0.265 19703 2608 1 5 . 1 1 74 74 LEU CB C 74 41.013 41.013 41.929 -0.916 19703 2609 1 5 . 1 1 74 74 LEU H H 74 8.850 8.850 7.856 0.994 19703 2610 1 5 . 1 1 75 75 ASP N N 75 115.491 115.491 118.750 -3.259 19703 2611 1 5 . 1 1 75 75 ASP HA H 75 4.320 4.320 4.424 -0.104 19703 2612 1 5 . 1 1 75 75 ASP C C 75 177.521 177.521 177.182 0.339 19703 2613 1 5 . 1 1 75 75 ASP CA C 75 57.000 57.000 56.355 0.645 19703 2614 1 5 . 1 1 75 75 ASP CB C 75 41.163 41.163 41.136 0.027 19703 2615 1 5 . 1 1 75 75 ASP H H 75 7.439 7.439 7.810 -0.371 19703 2616 1 5 . 1 1 76 76 LEU N N 76 116.660 116.660 119.391 -2.731 19703 2617 1 5 . 1 1 76 76 LEU HA H 76 4.280 4.280 4.373 -0.093 19703 2618 1 5 . 1 1 76 76 LEU C C 76 177.224 177.224 176.837 0.387 19703 2619 1 5 . 1 1 76 76 LEU CA C 76 54.067 54.067 55.121 -1.054 19703 2620 1 5 . 1 1 76 76 LEU CB C 76 42.211 42.211 42.551 -0.340 19703 2621 1 5 . 1 1 76 76 LEU H H 76 7.039 7.039 7.321 -0.282 19703 2622 1 5 . 1 1 77 77 ALA N N 77 123.914 123.914 122.279 1.635 19703 2623 1 5 . 1 1 77 77 ALA HA H 77 4.074 4.074 4.072 0.002 19703 2624 1 5 . 1 1 77 77 ALA C C 77 177.216 177.216 176.655 0.561 19703 2625 1 5 . 1 1 77 77 ALA CA C 77 52.304 52.304 53.224 -0.919 19703 2626 1 5 . 1 1 77 77 ALA CB C 77 18.204 18.204 18.698 -0.494 19703 2627 1 5 . 1 1 77 77 ALA H H 77 7.736 7.736 7.098 0.638 19703 2628 1 5 . 1 1 78 78 PHE N N 78 122.688 122.688 122.410 0.278 19703 2629 1 5 . 1 1 78 78 PHE HA H 78 4.415 4.415 4.577 -0.162 19703 2630 1 5 . 1 1 78 78 PHE C C 78 176.460 176.460 176.531 -0.071 19703 2631 1 5 . 1 1 78 78 PHE CA C 78 57.752 57.752 58.007 -0.255 19703 2632 1 5 . 1 1 78 78 PHE CB C 78 39.221 39.221 41.271 -2.050 19703 2633 1 5 . 1 1 78 78 PHE H H 78 8.310 8.310 8.047 0.263 19703 2634 1 5 . 1 1 79 79 GLY N N 79 112.822 112.822 111.799 1.023 19703 2635 1 5 . 1 1 79 79 GLY C C 79 174.510 174.510 173.952 0.558 19703 2636 1 5 . 1 1 79 79 GLY CA C 79 46.279 46.279 44.796 1.483 19703 2637 1 5 . 1 1 79 79 GLY H H 79 8.383 8.383 8.650 -0.267 19703 2638 1 5 . 1 1 80 80 LEU N N 80 118.988 118.988 123.288 -4.300 19703 2639 1 5 . 1 1 80 80 LEU HA H 80 3.754 3.754 4.474 -0.720 19703 2640 1 5 . 1 1 80 80 LEU C C 80 176.528 176.528 176.956 -0.428 19703 2641 1 5 . 1 1 80 80 LEU CA C 80 56.497 56.497 54.957 1.540 19703 2642 1 5 . 1 1 80 80 LEU CB C 80 42.808 42.808 42.839 -0.031 19703 2643 1 5 . 1 1 80 80 LEU H H 80 6.978 6.978 7.788 -0.810 19703 2644 1 5 . 1 1 81 81 THR N N 81 118.057 118.057 111.838 6.219 19703 2645 1 5 . 1 1 81 81 THR HA H 81 4.857 4.857 4.355 0.502 19703 2646 1 5 . 1 1 81 81 THR C C 81 175.739 175.739 174.828 0.911 19703 2647 1 5 . 1 1 81 81 THR CA C 81 60.194 60.194 61.000 -0.806 19703 2648 1 5 . 1 1 81 81 THR CB C 81 73.868 73.868 69.826 4.042 19703 2649 1 5 . 1 1 81 81 THR H H 81 9.176 9.176 8.140 1.036 19703 2650 1 5 . 1 1 82 82 ASP N N 82 118.080 118.080 119.096 -1.016 19703 2651 1 5 . 1 1 82 82 ASP HA H 82 4.379 4.379 4.358 0.021 19703 2652 1 5 . 1 1 82 82 ASP C C 82 176.700 176.700 176.600 0.100 19703 2653 1 5 . 1 1 82 82 ASP CA C 82 55.835 55.835 55.870 -0.035 19703 2654 1 5 . 1 1 82 82 ASP CB C 82 40.675 40.675 40.709 -0.034 19703 2655 1 5 . 1 1 82 82 ASP H H 82 8.679 8.679 8.778 -0.099 19703 2656 1 5 . 1 1 83 83 THR N N 83 107.059 107.059 107.266 -0.207 19703 2657 1 5 . 1 1 83 83 THR HA H 83 4.253 4.253 4.170 0.083 19703 2658 1 5 . 1 1 83 83 THR C C 83 174.494 174.494 174.228 0.266 19703 2659 1 5 . 1 1 83 83 THR CA C 83 59.749 59.749 62.168 -2.419 19703 2660 1 5 . 1 1 83 83 THR CB C 83 66.801 66.801 69.135 -2.334 19703 2661 1 5 . 1 1 83 83 THR H H 83 7.893 7.893 7.779 0.114 19703 2662 1 5 . 1 1 84 84 SER N N 84 121.526 121.526 116.349 5.177 19703 2663 1 5 . 1 1 84 84 SER HA H 84 5.080 5.080 4.489 0.591 19703 2664 1 5 . 1 1 84 84 SER C C 84 173.561 173.561 173.868 -0.307 19703 2665 1 5 . 1 1 84 84 SER CA C 84 61.844 61.844 57.423 4.421 19703 2666 1 5 . 1 1 84 84 SER CB C 84 64.933 64.933 64.858 0.075 19703 2667 1 5 . 1 1 84 84 SER H H 84 6.993 6.993 7.245 -0.252 19703 2668 1 5 . 1 1 85 85 ARG N N 85 118.632 118.632 123.062 -4.430 19703 2669 1 5 . 1 1 85 85 ARG HA H 85 4.809 4.809 4.843 -0.034 19703 2670 1 5 . 1 1 85 85 ARG C C 85 175.213 175.213 175.091 0.122 19703 2671 1 5 . 1 1 85 85 ARG CA C 85 52.209 52.209 54.885 -2.676 19703 2672 1 5 . 1 1 85 85 ARG CB C 85 35.685 35.685 32.182 3.503 19703 2673 1 5 . 1 1 85 85 ARG H H 85 9.358 9.358 7.844 1.514 19703 2674 1 5 . 1 1 86 86 LEU N N 86 120.203 120.203 122.648 -2.445 19703 2675 1 5 . 1 1 86 86 LEU H H 86 9.122 9.122 8.504 0.618 19703 2676 1 5 . 1 1 89 89 GLN HA H 89 4.188 4.188 4.493 -0.305 19703 2677 1 5 . 1 1 89 89 GLN C C 89 173.992 173.992 175.440 -1.448 19703 2678 1 5 . 1 1 89 89 GLN CA C 89 53.850 53.850 54.380 -0.530 19703 2679 1 5 . 1 1 89 89 GLN CB C 89 29.721 29.721 28.791 0.930 19703 2680 1 5 . 1 1 90 90 ILE N N 90 117.060 117.060 117.247 -0.187 19703 2681 1 5 . 1 1 90 90 ILE HA H 90 3.787 3.787 3.774 0.013 19703 2682 1 5 . 1 1 90 90 ILE C C 90 173.762 173.762 174.608 -0.846 19703 2683 1 5 . 1 1 90 90 ILE CA C 90 58.765 58.765 61.889 -3.124 19703 2684 1 5 . 1 1 90 90 ILE CB C 90 37.268 37.268 35.752 1.516 19703 2685 1 5 . 1 1 90 90 ILE H H 90 6.736 6.736 8.218 -1.482 19703 2686 1 5 . 1 1 91 91 ILE N N 91 128.173 128.173 118.286 9.887 19703 2687 1 5 . 1 1 91 91 ILE HA H 91 3.895 3.895 4.616 -0.721 19703 2688 1 5 . 1 1 91 91 ILE C C 91 175.955 175.955 175.813 0.142 19703 2689 1 5 . 1 1 91 91 ILE CA C 91 60.160 60.160 58.965 1.195 19703 2690 1 5 . 1 1 91 91 ILE CB C 91 37.104 37.104 37.728 -0.624 19703 2691 1 5 . 1 1 91 91 ILE H H 91 8.157 8.157 7.798 0.359 19703 2692 1 5 . 1 1 92 92 LEU N N 92 127.403 127.403 123.875 3.528 19703 2693 1 5 . 1 1 92 92 LEU HA H 92 4.105 4.105 4.478 -0.373 19703 2694 1 5 . 1 1 92 92 LEU C C 92 174.391 174.391 176.653 -2.262 19703 2695 1 5 . 1 1 92 92 LEU CA C 92 54.805 54.805 55.326 -0.521 19703 2696 1 5 . 1 1 92 92 LEU CB C 92 40.594 40.594 42.452 -1.858 19703 2697 1 5 . 1 1 92 92 LEU H H 92 8.979 8.979 8.428 0.551 19703 2698 1 5 . 1 1 93 93 THR N N 93 110.385 110.385 110.052 0.333 19703 2699 1 5 . 1 1 93 93 THR HA H 93 4.760 4.760 5.022 -0.262 19703 2700 1 5 . 1 1 93 93 THR C C 93 176.119 176.119 175.387 0.732 19703 2701 1 5 . 1 1 93 93 THR CA C 93 59.059 59.059 59.475 -0.416 19703 2702 1 5 . 1 1 93 93 THR CB C 93 72.517 72.517 71.624 0.893 19703 2703 1 5 . 1 1 93 93 THR H H 93 6.270 6.270 8.140 -1.870 19703 2704 1 5 . 1 1 94 94 LYS N N 94 120.484 120.484 123.802 -3.318 19703 2705 1 5 . 1 1 94 94 LYS HA H 94 3.684 3.684 4.025 -0.341 19703 2706 1 5 . 1 1 94 94 LYS C C 94 177.634 177.634 177.661 -0.027 19703 2707 1 5 . 1 1 94 94 LYS CA C 94 59.586 59.586 58.869 0.717 19703 2708 1 5 . 1 1 94 94 LYS CB C 94 31.690 31.690 31.880 -0.190 19703 2709 1 5 . 1 1 94 94 LYS H H 94 9.071 9.071 8.843 0.228 19703 2710 1 5 . 1 1 95 95 GLU N N 95 118.365 118.365 119.801 -1.436 19703 2711 1 5 . 1 1 95 95 GLU HA H 95 3.960 3.960 4.104 -0.144 19703 2712 1 5 . 1 1 95 95 GLU C C 95 176.639 176.639 177.704 -1.065 19703 2713 1 5 . 1 1 95 95 GLU CA C 95 59.480 59.480 58.771 0.709 19703 2714 1 5 . 1 1 95 95 GLU CB C 95 28.224 28.224 29.319 -1.095 19703 2715 1 5 . 1 1 95 95 GLU H H 95 8.422 8.422 8.103 0.319 19703 2716 1 5 . 1 1 96 96 LEU N N 96 116.407 116.407 119.356 -2.949 19703 2717 1 5 . 1 1 96 96 LEU HA H 96 4.453 4.453 4.336 0.117 19703 2718 1 5 . 1 1 96 96 LEU C C 96 174.106 174.106 176.108 -2.002 19703 2719 1 5 . 1 1 96 96 LEU CA C 96 53.499 53.499 53.918 -0.419 19703 2720 1 5 . 1 1 96 96 LEU CB C 96 40.899 40.899 41.435 -0.536 19703 2721 1 5 . 1 1 96 96 LEU H H 96 7.727 7.727 7.402 0.325 19703 2722 1 5 . 1 1 97 97 ASP N N 97 116.722 116.722 120.180 -3.458 19703 2723 1 5 . 1 1 97 97 ASP HA H 97 4.012 4.012 4.244 -0.232 19703 2724 1 5 . 1 1 97 97 ASP C C 97 175.803 175.803 177.819 -2.016 19703 2725 1 5 . 1 1 97 97 ASP CA C 97 56.511 56.511 54.885 1.626 19703 2726 1 5 . 1 1 97 97 ASP CB C 97 41.691 41.691 40.198 1.493 19703 2727 1 5 . 1 1 97 97 ASP H H 97 7.046 7.046 7.820 -0.774 19703 2728 1 5 . 1 1 98 98 GLY N N 98 117.545 117.545 112.783 4.762 19703 2729 1 5 . 1 1 98 98 GLY C C 98 173.481 173.481 173.605 -0.124 19703 2730 1 5 . 1 1 98 98 GLY CA C 98 44.602 44.602 45.090 -0.488 19703 2731 1 5 . 1 1 98 98 GLY H H 98 8.957 8.957 8.362 0.595 19703 2732 1 5 . 1 1 99 99 LEU N N 99 122.555 122.555 121.868 0.687 19703 2733 1 5 . 1 1 99 99 LEU C C 99 173.036 173.036 175.830 -2.794 19703 2734 1 5 . 1 1 99 99 LEU CA C 99 55.737 55.737 53.717 2.020 19703 2735 1 5 . 1 1 99 99 LEU CB C 99 42.087 42.087 43.739 -1.652 19703 2736 1 5 . 1 1 99 99 LEU H H 99 7.239 7.239 7.844 -0.605 19703 2737 1 5 . 1 1 100 100 CYS N N 100 121.421 121.421 120.729 0.692 19703 2738 1 5 . 1 1 100 100 CYS HA H 100 5.219 5.219 4.990 0.229 19703 2739 1 5 . 1 1 100 100 CYS C C 100 172.184 172.184 174.163 -1.979 19703 2740 1 5 . 1 1 100 100 CYS CA C 100 54.042 54.042 57.111 -3.069 19703 2741 1 5 . 1 1 100 100 CYS CB C 100 45.330 45.330 28.564 16.766 19703 2742 1 5 . 1 1 100 100 CYS H H 100 5.355 5.355 8.335 -2.980 19703 2743 1 5 . 1 1 101 101 VAL N N 101 121.510 121.510 119.190 2.320 19703 2744 1 5 . 1 1 101 101 VAL HA H 101 4.435 4.435 4.723 -0.288 19703 2745 1 5 . 1 1 101 101 VAL C C 101 172.314 172.314 174.438 -2.124 19703 2746 1 5 . 1 1 101 101 VAL CA C 101 59.936 59.936 58.526 1.410 19703 2747 1 5 . 1 1 101 101 VAL CB C 101 34.396 34.396 34.447 -0.051 19703 2748 1 5 . 1 1 101 101 VAL H H 101 8.691 8.691 8.520 0.171 19703 2749 1 5 . 1 1 102 102 ILE N N 102 126.427 126.427 119.647 6.780 19703 2750 1 5 . 1 1 102 102 ILE HA H 102 4.505 4.505 4.566 -0.061 19703 2751 1 5 . 1 1 102 102 ILE C C 102 175.584 175.584 176.877 -1.293 19703 2752 1 5 . 1 1 102 102 ILE CA C 102 60.603 60.603 59.215 1.389 19703 2753 1 5 . 1 1 102 102 ILE CB C 102 40.383 40.383 38.092 2.291 19703 2754 1 5 . 1 1 102 102 ILE H H 102 9.582 9.582 8.097 1.485 19703 2755 1 5 . 1 1 103 103 LEU N N 103 127.589 127.589 126.332 1.257 19703 2756 1 5 . 1 1 103 103 LEU HA H 103 4.665 4.665 4.445 0.220 19703 2757 1 5 . 1 1 103 103 LEU C C 103 174.725 174.725 176.633 -1.908 19703 2758 1 5 . 1 1 103 103 LEU CA C 103 52.048 52.048 54.802 -2.754 19703 2759 1 5 . 1 1 103 103 LEU CB C 103 40.970 40.970 41.194 -0.224 19703 2760 1 5 . 1 1 103 103 LEU H H 103 8.321 8.321 7.938 0.383 19703 2761 1 5 . 1 1 104 104 PRO HA H 104 4.306 4.306 4.416 -0.110 19703 2762 1 5 . 1 1 104 104 PRO C C 104 176.389 176.389 176.994 -0.605 19703 2763 1 5 . 1 1 104 104 PRO CA C 104 62.963 62.963 64.172 -1.209 19703 2764 1 5 . 1 1 104 104 PRO CB C 104 32.265 32.265 33.000 -0.735 19703 2765 1 5 . 1 1 105 105 THR N N 105 113.257 113.257 110.493 2.764 19703 2766 1 5 . 1 1 105 105 THR HA H 105 4.139 4.139 4.562 -0.423 19703 2767 1 5 . 1 1 105 105 THR C C 105 174.080 174.080 172.758 1.322 19703 2768 1 5 . 1 1 105 105 THR CA C 105 62.593 62.593 61.029 1.564 19703 2769 1 5 . 1 1 105 105 THR CB C 105 69.871 69.871 71.136 -1.266 19703 2770 1 5 . 1 1 105 105 THR H H 105 8.108 8.108 7.823 0.285 19703 2771 1 5 . 1 1 106 106 GLU N N 106 122.035 122.035 122.217 -0.182 19703 2772 1 5 . 1 1 106 106 GLU HA H 106 4.352 4.352 4.264 0.088 19703 2773 1 5 . 1 1 106 106 GLU C C 106 176.012 176.012 175.436 0.576 19703 2774 1 5 . 1 1 106 106 GLU CA C 106 56.393 56.393 57.441 -1.048 19703 2775 1 5 . 1 1 106 106 GLU CB C 106 31.113 31.113 29.470 1.643 19703 2776 1 5 . 1 1 106 106 GLU H H 106 8.291 8.291 8.561 -0.270 19703 2777 1 5 . 1 1 107 107 THR N N 107 115.185 115.185 119.197 -4.012 19703 2778 1 5 . 1 1 107 107 THR HA H 107 4.240 4.240 4.497 -0.257 19703 2779 1 5 . 1 1 107 107 THR C C 107 174.345 174.345 173.865 0.480 19703 2780 1 5 . 1 1 107 107 THR CA C 107 61.839 61.839 60.596 1.243 19703 2781 1 5 . 1 1 107 107 THR CB C 107 70.027 70.027 70.480 -0.453 19703 2782 1 5 . 1 1 107 107 THR H H 107 8.308 8.308 8.055 0.253 19703 2783 1 5 . 1 1 108 108 ARG N N 108 122.789 122.789 121.499 1.290 19703 2784 1 5 . 1 1 108 108 ARG HA H 108 4.133 4.133 4.350 -0.217 19703 2785 1 5 . 1 1 108 108 ARG C C 108 175.543 175.543 175.741 -0.198 19703 2786 1 5 . 1 1 108 108 ARG CA C 108 56.088 56.088 55.942 0.146 19703 2787 1 5 . 1 1 108 108 ARG CB C 108 30.906 30.906 31.033 -0.127 19703 2788 1 5 . 1 1 108 108 ARG H H 108 8.289 8.289 8.659 -0.370 19703 2789 1 5 . 1 1 109 109 ASN N N 109 120.177 120.177 118.925 1.252 19703 2790 1 5 . 1 1 109 109 ASN HA H 109 4.579 4.579 4.469 0.110 19703 2791 1 5 . 1 1 109 109 ASN C C 109 175.106 175.106 174.170 0.936 19703 2792 1 5 . 1 1 109 109 ASN CA C 109 53.134 53.134 53.793 -0.659 19703 2793 1 5 . 1 1 109 109 ASN CB C 109 38.735 38.735 38.623 0.112 19703 2794 1 5 . 1 1 109 109 ASN H H 109 8.365 8.365 8.099 0.266 19703 2795 1 5 . 1 1 110 110 ILE N N 110 120.936 120.936 120.005 0.931 19703 2796 1 5 . 1 1 110 110 ILE HA H 110 4.070 4.070 4.127 -0.057 19703 2797 1 5 . 1 1 110 110 ILE C C 110 175.914 175.914 174.084 1.830 19703 2798 1 5 . 1 1 110 110 ILE CA C 110 61.340 61.340 61.960 -0.620 19703 2799 1 5 . 1 1 110 110 ILE CB C 110 38.861 38.861 38.904 -0.043 19703 2800 1 5 . 1 1 110 110 ILE H H 110 7.983 7.983 8.012 -0.029 19703 2801 1 5 . 1 1 111 111 SER N N 111 118.751 118.751 123.096 -4.345 19703 2802 1 5 . 1 1 111 111 SER HA H 111 4.340 4.340 4.703 -0.363 19703 2803 1 5 . 1 1 111 111 SER C C 111 173.977 173.977 172.513 1.464 19703 2804 1 5 . 1 1 111 111 SER CA C 111 58.315 58.315 58.444 -0.130 19703 2805 1 5 . 1 1 111 111 SER CB C 111 63.845 63.845 65.105 -1.260 19703 2806 1 5 . 1 1 111 111 SER H H 111 8.176 8.176 8.066 0.110 19703 2807 1 5 . 1 1 112 112 PHE N N 112 122.536 122.536 121.320 1.216 19703 2808 1 5 . 1 1 112 112 PHE HA H 112 4.555 4.555 4.927 -0.372 19703 2809 1 5 . 1 1 112 112 PHE C C 112 175.282 175.282 175.232 0.050 19703 2810 1 5 . 1 1 112 112 PHE CA C 112 57.743 57.743 57.497 0.246 19703 2811 1 5 . 1 1 112 112 PHE CB C 112 39.708 39.708 38.991 0.717 19703 2812 1 5 . 1 1 112 112 PHE H H 112 8.118 8.118 8.545 -0.427 19703 2813 1 5 . 1 1 113 113 VAL N N 113 122.561 122.561 120.164 2.397 19703 2814 1 5 . 1 1 113 113 VAL HA H 113 3.922 3.922 4.403 -0.481 19703 2815 1 5 . 1 1 113 113 VAL C C 113 175.447 175.447 175.861 -0.414 19703 2816 1 5 . 1 1 113 113 VAL CA C 113 62.237 62.237 61.430 0.807 19703 2817 1 5 . 1 1 113 113 VAL CB C 113 32.899 32.899 34.770 -1.871 19703 2818 1 5 . 1 1 113 113 VAL H H 113 7.907 7.907 8.147 -0.240 19703 2819 1 5 . 1 1 114 114 LYS N N 114 125.629 125.629 125.336 0.293 19703 2820 1 5 . 1 1 114 114 LYS HA H 114 4.208 4.208 4.483 -0.275 19703 2821 1 5 . 1 1 114 114 LYS C C 114 176.039 176.039 175.840 0.199 19703 2822 1 5 . 1 1 114 114 LYS CA C 114 56.316 56.316 55.303 1.013 19703 2823 1 5 . 1 1 114 114 LYS CB C 114 33.152 33.152 30.669 2.483 19703 2824 1 5 . 1 1 114 114 LYS H H 114 8.283 8.283 8.590 -0.307 19703 2825 1 5 . 1 1 115 115 ASN N N 115 121.240 121.240 120.595 0.645 19703 2826 1 5 . 1 1 115 115 ASN HA H 115 4.672 4.672 4.572 0.100 19703 2827 1 5 . 1 1 115 115 ASN C C 115 174.230 174.230 175.363 -1.133 19703 2828 1 5 . 1 1 115 115 ASN CA C 115 53.356 53.356 53.748 -0.392 19703 2829 1 5 . 1 1 115 115 ASN CB C 115 39.079 39.079 38.945 0.134 19703 2830 1 5 . 1 1 115 115 ASN H H 115 8.452 8.452 7.783 0.669 19703 2831 1 6 . 1 1 2 2 PRO HA H 2 4.138 4.138 4.504 -0.366 19703 2832 1 6 . 1 1 2 2 PRO C C 2 174.711 174.711 174.973 -0.262 19703 2833 1 6 . 1 1 2 2 PRO CA C 2 61.918 61.918 62.861 -0.943 19703 2834 1 6 . 1 1 2 2 PRO CB C 2 31.604 31.604 32.846 -1.242 19703 2835 1 6 . 1 1 3 3 LEU N N 3 122.430 122.430 119.274 3.156 19703 2836 1 6 . 1 1 3 3 LEU HA H 3 4.840 4.840 4.590 0.250 19703 2837 1 6 . 1 1 3 3 LEU C C 3 176.954 176.954 175.156 1.798 19703 2838 1 6 . 1 1 3 3 LEU CA C 3 53.697 53.697 54.038 -0.341 19703 2839 1 6 . 1 1 3 3 LEU CB C 3 42.404 42.404 45.145 -2.741 19703 2840 1 6 . 1 1 3 3 LEU H H 3 8.745 8.745 8.147 0.598 19703 2841 1 6 . 1 1 4 4 ILE N N 4 125.237 125.237 124.084 1.153 19703 2842 1 6 . 1 1 4 4 ILE HA H 4 4.465 4.465 4.418 0.047 19703 2843 1 6 . 1 1 4 4 ILE C C 4 174.949 174.949 175.084 -0.135 19703 2844 1 6 . 1 1 4 4 ILE CA C 4 57.967 57.967 58.315 -0.348 19703 2845 1 6 . 1 1 4 4 ILE CB C 4 38.795 38.795 39.315 -0.520 19703 2846 1 6 . 1 1 4 4 ILE H H 4 8.824 8.824 7.930 0.894 19703 2847 1 6 . 1 1 5 5 THR N N 5 124.237 124.237 123.355 0.882 19703 2848 1 6 . 1 1 5 5 THR HA H 5 5.133 5.133 4.304 0.829 19703 2849 1 6 . 1 1 5 5 THR C C 5 172.705 172.705 173.745 -1.040 19703 2850 1 6 . 1 1 5 5 THR CA C 5 61.945 61.945 62.986 -1.041 19703 2851 1 6 . 1 1 5 5 THR CB C 5 70.736 70.736 68.897 1.839 19703 2852 1 6 . 1 1 5 5 THR H H 5 8.802 8.802 8.017 0.785 19703 2853 1 6 . 1 1 6 6 PHE N N 6 124.358 124.358 127.786 -3.428 19703 2854 1 6 . 1 1 6 6 PHE HA H 6 5.244 5.244 5.363 -0.119 19703 2855 1 6 . 1 1 6 6 PHE C C 6 176.172 176.172 175.809 0.363 19703 2856 1 6 . 1 1 6 6 PHE CA C 6 56.309 56.309 55.343 0.966 19703 2857 1 6 . 1 1 6 6 PHE CB C 6 42.111 42.111 40.115 1.996 19703 2858 1 6 . 1 1 6 6 PHE H H 6 9.239 9.239 8.119 1.120 19703 2859 1 6 . 1 1 7 7 ILE N N 7 126.251 126.251 124.062 2.189 19703 2860 1 6 . 1 1 7 7 ILE HA H 7 4.847 4.847 4.634 0.213 19703 2861 1 6 . 1 1 7 7 ILE C C 7 176.608 176.608 175.774 0.834 19703 2862 1 6 . 1 1 7 7 ILE CA C 7 60.317 60.317 60.409 -0.092 19703 2863 1 6 . 1 1 7 7 ILE CB C 7 38.252 38.252 38.486 -0.234 19703 2864 1 6 . 1 1 7 7 ILE H H 7 9.509 9.509 8.072 1.437 19703 2865 1 6 . 1 1 8 8 SER N N 8 124.211 124.211 121.913 2.298 19703 2866 1 6 . 1 1 8 8 SER C C 8 174.143 174.143 174.917 -0.774 19703 2867 1 6 . 1 1 8 8 SER CA C 8 59.506 59.506 55.621 3.885 19703 2868 1 6 . 1 1 8 8 SER CB C 8 62.938 62.938 64.440 -1.502 19703 2869 1 6 . 1 1 8 8 SER H H 8 8.880 8.880 8.534 0.346 19703 2870 1 6 . 1 1 9 9 PRO HA H 9 4.326 4.326 4.458 -0.132 19703 2871 1 6 . 1 1 9 9 PRO C C 9 176.530 176.530 176.880 -0.350 19703 2872 1 6 . 1 1 9 9 PRO CA C 9 65.685 65.685 64.287 1.398 19703 2873 1 6 . 1 1 9 9 PRO CB C 9 31.920 31.920 31.734 0.186 19703 2874 1 6 . 1 1 10 10 ASP N N 10 113.865 113.865 118.221 -4.356 19703 2875 1 6 . 1 1 10 10 ASP HA H 10 4.413 4.413 4.691 -0.278 19703 2876 1 6 . 1 1 10 10 ASP C C 10 177.083 177.083 176.852 0.231 19703 2877 1 6 . 1 1 10 10 ASP CA C 10 53.302 53.302 53.437 -0.135 19703 2878 1 6 . 1 1 10 10 ASP CB C 10 39.571 39.571 40.583 -1.012 19703 2879 1 6 . 1 1 10 10 ASP H H 10 7.667 7.667 7.915 -0.248 19703 2880 1 6 . 1 1 11 11 GLY N N 11 109.808 109.808 107.650 2.158 19703 2881 1 6 . 1 1 11 11 GLY C C 11 174.638 174.638 174.491 0.147 19703 2882 1 6 . 1 1 11 11 GLY CA C 11 44.844 44.844 45.830 -0.986 19703 2883 1 6 . 1 1 11 11 GLY H H 11 8.538 8.538 7.852 0.686 19703 2884 1 6 . 1 1 12 12 SER N N 12 118.381 118.381 115.650 2.731 19703 2885 1 6 . 1 1 12 12 SER HA H 12 4.224 4.224 4.805 -0.581 19703 2886 1 6 . 1 1 12 12 SER C C 12 172.370 172.370 173.481 -1.111 19703 2887 1 6 . 1 1 12 12 SER CA C 12 59.344 59.344 57.659 1.685 19703 2888 1 6 . 1 1 12 12 SER CB C 12 63.909 63.909 64.894 -0.985 19703 2889 1 6 . 1 1 12 12 SER H H 12 8.233 8.233 7.699 0.534 19703 2890 1 6 . 1 1 13 13 ARG N N 13 119.429 119.429 118.574 0.855 19703 2891 1 6 . 1 1 13 13 ARG HA H 13 5.322 5.322 5.353 -0.031 19703 2892 1 6 . 1 1 13 13 ARG C C 13 175.622 175.622 175.163 0.459 19703 2893 1 6 . 1 1 13 13 ARG CA C 13 54.652 54.652 54.648 0.004 19703 2894 1 6 . 1 1 13 13 ARG CB C 13 33.616 33.616 33.505 0.111 19703 2895 1 6 . 1 1 13 13 ARG H H 13 8.386 8.386 8.372 0.014 19703 2896 1 6 . 1 1 14 14 LYS N N 14 122.872 122.872 122.561 0.311 19703 2897 1 6 . 1 1 14 14 LYS HA H 14 4.409 4.409 4.856 -0.447 19703 2898 1 6 . 1 1 14 14 LYS C C 14 173.900 173.900 175.512 -1.612 19703 2899 1 6 . 1 1 14 14 LYS CA C 14 55.236 55.236 54.729 0.507 19703 2900 1 6 . 1 1 14 14 LYS CB C 14 37.200 37.200 35.976 1.224 19703 2901 1 6 . 1 1 14 14 LYS H H 14 8.313 8.313 9.079 -0.766 19703 2902 1 6 . 1 1 15 15 THR N N 15 119.577 119.577 118.789 0.788 19703 2903 1 6 . 1 1 15 15 THR HA H 15 5.021 5.021 4.688 0.333 19703 2904 1 6 . 1 1 15 15 THR C C 15 173.125 173.125 173.573 -0.448 19703 2905 1 6 . 1 1 15 15 THR CA C 15 61.744 61.744 61.832 -0.088 19703 2906 1 6 . 1 1 15 15 THR CB C 15 70.674 70.674 69.569 1.105 19703 2907 1 6 . 1 1 15 15 THR H H 15 8.058 8.058 8.619 -0.561 19703 2908 1 6 . 1 1 16 16 TYR N N 16 124.739 124.739 126.232 -1.493 19703 2909 1 6 . 1 1 16 16 TYR HA H 16 4.793 4.793 4.738 0.055 19703 2910 1 6 . 1 1 16 16 TYR C C 16 174.110 174.110 174.529 -0.419 19703 2911 1 6 . 1 1 16 16 TYR CA C 16 56.177 56.177 57.614 -1.437 19703 2912 1 6 . 1 1 16 16 TYR CB C 16 43.856 43.856 42.778 1.078 19703 2913 1 6 . 1 1 16 16 TYR H H 16 9.192 9.192 8.126 1.066 19703 2914 1 6 . 1 1 17 17 GLU N N 17 120.492 120.492 125.618 -5.126 19703 2915 1 6 . 1 1 17 17 GLU HA H 17 4.402 4.402 4.481 -0.079 19703 2916 1 6 . 1 1 17 17 GLU C C 17 175.431 175.431 175.434 -0.003 19703 2917 1 6 . 1 1 17 17 GLU CA C 17 55.885 55.885 57.212 -1.327 19703 2918 1 6 . 1 1 17 17 GLU CB C 17 30.772 30.772 29.897 0.875 19703 2919 1 6 . 1 1 17 17 GLU H H 17 8.485 8.485 8.805 -0.320 19703 2920 1 6 . 1 1 18 18 ALA N N 18 127.314 127.314 126.990 0.324 19703 2921 1 6 . 1 1 18 18 ALA HA H 18 4.289 4.289 4.894 -0.605 19703 2922 1 6 . 1 1 18 18 ALA C C 18 176.561 176.561 175.743 0.818 19703 2923 1 6 . 1 1 18 18 ALA CA C 18 50.368 50.368 51.054 -0.687 19703 2924 1 6 . 1 1 18 18 ALA CB C 18 22.174 22.174 21.685 0.489 19703 2925 1 6 . 1 1 18 18 ALA H H 18 8.394 8.394 8.079 0.315 19703 2926 1 6 . 1 1 19 19 TYR N N 19 118.845 118.845 118.032 0.813 19703 2927 1 6 . 1 1 19 19 TYR HA H 19 4.698 4.698 4.651 0.047 19703 2928 1 6 . 1 1 19 19 TYR C C 19 175.697 175.697 174.696 1.001 19703 2929 1 6 . 1 1 19 19 TYR CA C 19 55.217 55.217 57.245 -2.028 19703 2930 1 6 . 1 1 19 19 TYR CB C 19 38.407 38.407 41.615 -3.208 19703 2931 1 6 . 1 1 19 19 TYR H H 19 8.588 8.588 8.735 -0.147 19703 2932 1 6 . 1 1 20 20 ASP N N 20 121.106 121.106 121.047 0.059 19703 2933 1 6 . 1 1 20 20 ASP HA H 20 4.176 4.176 4.684 -0.508 19703 2934 1 6 . 1 1 20 20 ASP C C 20 176.460 176.460 176.382 0.078 19703 2935 1 6 . 1 1 20 20 ASP CA C 20 55.993 55.993 55.566 0.427 19703 2936 1 6 . 1 1 20 20 ASP CB C 20 41.290 41.290 40.257 1.033 19703 2937 1 6 . 1 1 20 20 ASP H H 20 8.280 8.280 8.544 -0.264 19703 2938 1 6 . 1 1 21 21 GLY N N 21 115.001 115.001 115.442 -0.441 19703 2939 1 6 . 1 1 21 21 GLY C C 21 173.948 173.948 173.997 -0.049 19703 2940 1 6 . 1 1 21 21 GLY CA C 21 45.288 45.288 45.772 -0.484 19703 2941 1 6 . 1 1 21 21 GLY H H 21 9.011 9.011 8.215 0.796 19703 2942 1 6 . 1 1 22 22 GLU N N 22 121.980 121.980 120.106 1.874 19703 2943 1 6 . 1 1 22 22 GLU HA H 22 4.517 4.517 4.447 0.070 19703 2944 1 6 . 1 1 22 22 GLU C C 22 175.114 175.114 176.079 -0.965 19703 2945 1 6 . 1 1 22 22 GLU CA C 22 55.077 55.077 55.452 -0.375 19703 2946 1 6 . 1 1 22 22 GLU CB C 22 30.747 30.747 30.673 0.074 19703 2947 1 6 . 1 1 22 22 GLU H H 22 7.856 7.856 7.587 0.269 19703 2948 1 6 . 1 1 23 23 THR N N 23 110.390 110.390 118.991 -8.601 19703 2949 1 6 . 1 1 23 23 THR HA H 23 5.382 5.382 4.371 1.011 19703 2950 1 6 . 1 1 23 23 THR C C 23 176.857 176.857 175.592 1.265 19703 2951 1 6 . 1 1 23 23 THR CA C 23 60.549 60.549 61.415 -0.866 19703 2952 1 6 . 1 1 23 23 THR CB C 23 72.554 72.554 70.103 2.451 19703 2953 1 6 . 1 1 23 23 THR H H 23 8.234 8.234 8.446 -0.212 19703 2954 1 6 . 1 1 24 24 LEU N N 24 120.243 120.243 125.851 -5.608 19703 2955 1 6 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.061 -0.039 19703 2956 1 6 . 1 1 24 24 LEU C C 24 178.102 178.102 178.054 0.048 19703 2957 1 6 . 1 1 24 24 LEU CA C 24 58.076 58.076 57.703 0.374 19703 2958 1 6 . 1 1 24 24 LEU CB C 24 41.982 41.982 42.036 -0.054 19703 2959 1 6 . 1 1 24 24 LEU H H 24 8.410 8.410 8.881 -0.471 19703 2960 1 6 . 1 1 25 25 LEU N N 25 116.005 116.005 118.778 -2.773 19703 2961 1 6 . 1 1 25 25 LEU HA H 25 3.772 3.772 3.806 -0.034 19703 2962 1 6 . 1 1 25 25 LEU C C 25 176.517 176.517 178.609 -2.092 19703 2963 1 6 . 1 1 25 25 LEU CA C 25 57.593 57.593 57.784 -0.191 19703 2964 1 6 . 1 1 25 25 LEU CB C 25 42.559 42.559 41.689 0.870 19703 2965 1 6 . 1 1 25 25 LEU H H 25 6.645 6.645 7.482 -0.837 19703 2966 1 6 . 1 1 26 26 SER N N 26 115.141 115.141 114.637 0.504 19703 2967 1 6 . 1 1 26 26 SER HA H 26 4.061 4.061 3.927 0.134 19703 2968 1 6 . 1 1 26 26 SER C C 26 177.287 177.287 176.107 1.180 19703 2969 1 6 . 1 1 26 26 SER CA C 26 61.413 61.413 60.371 1.042 19703 2970 1 6 . 1 1 26 26 SER CB C 26 62.377 62.377 62.794 -0.416 19703 2971 1 6 . 1 1 26 26 SER H H 26 7.847 7.847 7.695 0.152 19703 2972 1 6 . 1 1 27 27 LEU N N 27 122.244 122.244 123.025 -0.781 19703 2973 1 6 . 1 1 27 27 LEU HA H 27 3.837 3.837 4.021 -0.184 19703 2974 1 6 . 1 1 27 27 LEU C C 27 179.116 179.116 177.592 1.524 19703 2975 1 6 . 1 1 27 27 LEU CA C 27 58.435 58.435 57.391 1.044 19703 2976 1 6 . 1 1 27 27 LEU CB C 27 41.586 41.586 41.759 -0.173 19703 2977 1 6 . 1 1 27 27 LEU H H 27 7.869 7.869 7.272 0.597 19703 2978 1 6 . 1 1 28 28 ALA N N 28 120.875 120.875 120.886 -0.011 19703 2979 1 6 . 1 1 28 28 ALA HA H 28 3.278 3.278 3.765 -0.487 19703 2980 1 6 . 1 1 28 28 ALA C C 28 179.545 179.545 179.534 0.011 19703 2981 1 6 . 1 1 28 28 ALA CA C 28 54.696 54.696 54.688 0.008 19703 2982 1 6 . 1 1 28 28 ALA CB C 28 18.423 18.423 17.871 0.552 19703 2983 1 6 . 1 1 28 28 ALA H H 28 8.002 8.002 7.526 0.476 19703 2984 1 6 . 1 1 29 29 HIS N N 29 117.818 117.818 117.767 0.051 19703 2985 1 6 . 1 1 29 29 HIS HA H 29 4.538 4.538 4.172 0.366 19703 2986 1 6 . 1 1 29 29 HIS C C 29 178.985 178.985 178.421 0.564 19703 2987 1 6 . 1 1 29 29 HIS CA C 29 57.620 57.620 58.951 -1.331 19703 2988 1 6 . 1 1 29 29 HIS CB C 29 28.961 28.961 29.788 -0.827 19703 2989 1 6 . 1 1 29 29 HIS H H 29 8.587 8.587 8.264 0.323 19703 2990 1 6 . 1 1 30 30 ARG N N 30 118.408 118.408 118.284 0.124 19703 2991 1 6 . 1 1 30 30 ARG HA H 30 4.111 4.111 4.191 -0.080 19703 2992 1 6 . 1 1 30 30 ARG C C 30 176.361 176.361 177.758 -1.397 19703 2993 1 6 . 1 1 30 30 ARG CA C 30 58.818 58.818 58.116 0.702 19703 2994 1 6 . 1 1 30 30 ARG CB C 30 30.001 30.001 29.509 0.492 19703 2995 1 6 . 1 1 30 30 ARG H H 30 8.264 8.264 7.964 0.300 19703 2996 1 6 . 1 1 31 31 ASN N N 31 114.401 114.401 115.028 -0.627 19703 2997 1 6 . 1 1 31 31 ASN HA H 31 4.578 4.578 4.635 -0.057 19703 2998 1 6 . 1 1 31 31 ASN C C 31 172.703 172.703 174.435 -1.732 19703 2999 1 6 . 1 1 31 31 ASN CA C 31 53.405 53.405 53.838 -0.433 19703 3000 1 6 . 1 1 31 31 ASN CB C 31 40.339 40.339 39.700 0.639 19703 3001 1 6 . 1 1 31 31 ASN H H 31 6.906 6.906 7.737 -0.831 19703 3002 1 6 . 1 1 32 32 ASN N N 32 114.697 114.697 114.545 0.152 19703 3003 1 6 . 1 1 32 32 ASN HA H 32 4.232 4.232 4.352 -0.120 19703 3004 1 6 . 1 1 32 32 ASN C C 32 174.118 174.118 173.731 0.387 19703 3005 1 6 . 1 1 32 32 ASN CA C 32 54.845 54.845 54.012 0.833 19703 3006 1 6 . 1 1 32 32 ASN CB C 32 36.966 36.966 36.649 0.317 19703 3007 1 6 . 1 1 32 32 ASN H H 32 7.637 7.637 7.954 -0.317 19703 3008 1 6 . 1 1 33 33 VAL N N 33 119.649 119.649 119.240 0.409 19703 3009 1 6 . 1 1 33 33 VAL HA H 33 3.508 3.508 4.295 -0.787 19703 3010 1 6 . 1 1 33 33 VAL C C 33 176.639 176.639 174.712 1.927 19703 3011 1 6 . 1 1 33 33 VAL CA C 33 62.163 62.163 59.783 2.380 19703 3012 1 6 . 1 1 33 33 VAL CB C 33 31.566 31.566 33.622 -2.056 19703 3013 1 6 . 1 1 33 33 VAL H H 33 8.003 8.003 7.892 0.111 19703 3014 1 6 . 1 1 34 34 ASP N N 34 128.347 128.347 125.989 2.358 19703 3015 1 6 . 1 1 34 34 ASP HA H 34 4.381 4.381 4.856 -0.475 19703 3016 1 6 . 1 1 34 34 ASP C C 34 172.933 172.933 175.633 -2.700 19703 3017 1 6 . 1 1 34 34 ASP CA C 34 54.311 54.311 53.760 0.551 19703 3018 1 6 . 1 1 34 34 ASP CB C 34 39.063 39.063 42.597 -3.534 19703 3019 1 6 . 1 1 34 34 ASP H H 34 8.469 8.469 8.462 0.007 19703 3020 1 6 . 1 1 35 35 LEU N N 35 127.456 127.456 124.539 2.917 19703 3021 1 6 . 1 1 35 35 LEU HA H 35 4.391 4.391 4.634 -0.243 19703 3022 1 6 . 1 1 35 35 LEU C C 35 174.747 174.747 176.211 -1.464 19703 3023 1 6 . 1 1 35 35 LEU CA C 35 54.105 54.105 53.570 0.535 19703 3024 1 6 . 1 1 35 35 LEU H H 35 7.864 7.864 8.234 -0.370 19703 3025 1 6 . 1 1 49 49 HIS HA H 49 4.857 4.857 4.696 0.161 19703 3026 1 6 . 1 1 49 49 HIS C C 49 173.176 173.176 174.676 -1.500 19703 3027 1 6 . 1 1 49 49 HIS CA C 49 55.342 55.342 54.858 0.484 19703 3028 1 6 . 1 1 49 49 HIS CB C 49 29.958 29.958 31.733 -1.775 19703 3029 1 6 . 1 1 50 50 VAL N N 50 119.554 119.554 117.013 2.541 19703 3030 1 6 . 1 1 50 50 VAL HA H 50 4.327 4.327 4.637 -0.310 19703 3031 1 6 . 1 1 50 50 VAL C C 50 172.122 172.122 174.078 -1.956 19703 3032 1 6 . 1 1 50 50 VAL CA C 50 59.245 59.245 60.918 -1.673 19703 3033 1 6 . 1 1 50 50 VAL CB C 50 35.976 35.976 35.387 0.589 19703 3034 1 6 . 1 1 50 50 VAL H H 50 9.210 9.210 8.273 0.937 19703 3035 1 6 . 1 1 51 51 ILE N N 51 121.739 121.739 123.465 -1.726 19703 3036 1 6 . 1 1 51 51 ILE HA H 51 4.021 4.021 4.552 -0.531 19703 3037 1 6 . 1 1 51 51 ILE C C 51 175.868 175.868 174.262 1.606 19703 3038 1 6 . 1 1 51 51 ILE CA C 51 61.108 61.108 60.427 0.681 19703 3039 1 6 . 1 1 51 51 ILE CB C 51 39.340 39.340 39.277 0.063 19703 3040 1 6 . 1 1 51 51 ILE H H 51 8.279 8.279 8.300 -0.021 19703 3041 1 6 . 1 1 52 52 ILE N N 52 126.048 126.048 123.677 2.371 19703 3042 1 6 . 1 1 52 52 ILE HA H 52 4.027 4.027 4.738 -0.711 19703 3043 1 6 . 1 1 52 52 ILE C C 52 176.343 176.343 174.810 1.533 19703 3044 1 6 . 1 1 52 52 ILE CA C 52 58.856 58.856 58.392 0.464 19703 3045 1 6 . 1 1 52 52 ILE CB C 52 35.576 35.576 41.042 -5.466 19703 3046 1 6 . 1 1 52 52 ILE H H 52 8.454 8.454 7.981 0.473 19703 3047 1 6 . 1 1 53 53 ASP N N 53 127.679 127.679 118.150 9.529 19703 3048 1 6 . 1 1 53 53 ASP C C 53 176.811 176.811 176.701 0.110 19703 3049 1 6 . 1 1 53 53 ASP CA C 53 54.125 54.125 52.867 1.258 19703 3050 1 6 . 1 1 53 53 ASP CB C 53 44.609 44.609 40.120 4.489 19703 3051 1 6 . 1 1 53 53 ASP H H 53 7.698 7.698 8.601 -0.903 19703 3052 1 6 . 1 1 54 54 PRO HA H 54 4.188 4.188 4.343 -0.155 19703 3053 1 6 . 1 1 54 54 PRO C C 54 178.175 178.175 178.047 0.128 19703 3054 1 6 . 1 1 54 54 PRO CA C 54 66.346 66.346 64.904 1.442 19703 3055 1 6 . 1 1 54 54 PRO CB C 54 32.210 32.210 31.951 0.259 19703 3056 1 6 . 1 1 55 55 SER N N 55 113.470 113.470 115.098 -1.628 19703 3057 1 6 . 1 1 55 55 SER HA H 55 4.282 4.282 4.370 -0.088 19703 3058 1 6 . 1 1 55 55 SER C C 55 174.884 174.884 175.538 -0.654 19703 3059 1 6 . 1 1 55 55 SER CA C 55 61.090 61.090 60.706 0.384 19703 3060 1 6 . 1 1 55 55 SER CB C 55 62.971 62.971 62.716 0.255 19703 3061 1 6 . 1 1 55 55 SER H H 55 8.853 8.853 8.244 0.609 19703 3062 1 6 . 1 1 56 56 TRP N N 56 120.568 120.568 120.540 0.028 19703 3063 1 6 . 1 1 56 56 TRP HA H 56 4.467 4.467 4.834 -0.367 19703 3064 1 6 . 1 1 56 56 TRP C C 56 176.386 176.386 177.330 -0.944 19703 3065 1 6 . 1 1 56 56 TRP CA C 56 58.465 58.465 56.788 1.677 19703 3066 1 6 . 1 1 56 56 TRP CB C 56 33.371 33.371 29.658 3.713 19703 3067 1 6 . 1 1 56 56 TRP H H 56 8.656 8.656 7.712 0.944 19703 3068 1 6 . 1 1 57 57 TYR N N 57 121.686 121.686 122.163 -0.477 19703 3069 1 6 . 1 1 57 57 TYR HA H 57 3.716 3.716 4.025 -0.309 19703 3070 1 6 . 1 1 57 57 TYR C C 57 176.621 176.621 177.156 -0.535 19703 3071 1 6 . 1 1 57 57 TYR CA C 57 64.137 64.137 62.871 1.266 19703 3072 1 6 . 1 1 57 57 TYR CB C 57 38.967 38.967 38.297 0.670 19703 3073 1 6 . 1 1 57 57 TYR H H 57 7.329 7.329 8.208 -0.879 19703 3074 1 6 . 1 1 58 58 ASP N N 58 119.983 119.983 118.036 1.947 19703 3075 1 6 . 1 1 58 58 ASP HA H 58 4.390 4.390 4.337 0.053 19703 3076 1 6 . 1 1 58 58 ASP C C 58 178.509 178.509 178.558 -0.049 19703 3077 1 6 . 1 1 58 58 ASP CA C 58 57.914 57.914 57.459 0.455 19703 3078 1 6 . 1 1 58 58 ASP CB C 58 39.741 39.741 40.730 -0.989 19703 3079 1 6 . 1 1 58 58 ASP H H 58 9.033 9.033 8.287 0.746 19703 3080 1 6 . 1 1 59 59 ILE N N 59 122.534 122.534 119.603 2.931 19703 3081 1 6 . 1 1 59 59 ILE HA H 59 3.809 3.809 3.955 -0.146 19703 3082 1 6 . 1 1 59 59 ILE C C 59 178.418 178.418 178.066 0.352 19703 3083 1 6 . 1 1 59 59 ILE CA C 59 64.650 64.650 63.779 0.871 19703 3084 1 6 . 1 1 59 59 ILE CB C 59 38.514 38.514 37.574 0.940 19703 3085 1 6 . 1 1 59 59 ILE H H 59 7.894 7.894 7.620 0.274 19703 3086 1 6 . 1 1 60 60 VAL N N 60 118.811 118.811 116.838 1.973 19703 3087 1 6 . 1 1 60 60 VAL HA H 60 3.459 3.459 3.901 -0.442 19703 3088 1 6 . 1 1 60 60 VAL C C 60 178.294 178.294 177.588 0.706 19703 3089 1 6 . 1 1 60 60 VAL CA C 60 67.819 67.819 64.825 2.994 19703 3090 1 6 . 1 1 60 60 VAL CB C 60 31.268 31.268 31.000 0.268 19703 3091 1 6 . 1 1 60 60 VAL H H 60 8.265 8.265 8.515 -0.250 19703 3092 1 6 . 1 1 61 61 GLU N N 61 121.332 121.332 118.826 2.506 19703 3093 1 6 . 1 1 61 61 GLU HA H 61 3.625 3.625 4.010 -0.385 19703 3094 1 6 . 1 1 61 61 GLU C C 61 177.407 177.407 177.350 0.057 19703 3095 1 6 . 1 1 61 61 GLU CA C 61 59.055 59.055 58.166 0.889 19703 3096 1 6 . 1 1 61 61 GLU CB C 61 28.425 28.425 29.450 -1.025 19703 3097 1 6 . 1 1 61 61 GLU H H 61 8.036 8.036 8.054 -0.018 19703 3098 1 6 . 1 1 62 62 GLN N N 62 117.653 117.653 115.067 2.586 19703 3099 1 6 . 1 1 62 62 GLN HA H 62 3.734 3.734 4.142 -0.408 19703 3100 1 6 . 1 1 62 62 GLN C C 62 177.586 177.586 177.030 0.556 19703 3101 1 6 . 1 1 62 62 GLN CA C 62 58.476 58.476 57.724 0.752 19703 3102 1 6 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.866 -0.766 19703 3103 1 6 . 1 1 62 62 GLN H H 62 7.912 7.912 7.235 0.677 19703 3104 1 6 . 1 1 63 63 HIS N N 63 113.347 113.347 119.878 -6.531 19703 3105 1 6 . 1 1 63 63 HIS HA H 63 4.438 4.438 4.517 -0.079 19703 3106 1 6 . 1 1 63 63 HIS C C 63 177.626 177.626 174.053 3.573 19703 3107 1 6 . 1 1 63 63 HIS CA C 63 56.824 56.824 57.397 -0.573 19703 3108 1 6 . 1 1 63 63 HIS CB C 63 31.805 31.805 30.435 1.370 19703 3109 1 6 . 1 1 63 63 HIS H H 63 6.929 6.929 8.153 -1.224 19703 3110 1 6 . 1 1 64 64 ASN N N 64 121.506 121.506 117.014 4.492 19703 3111 1 6 . 1 1 64 64 ASN HA H 64 5.081 5.081 4.697 0.384 19703 3112 1 6 . 1 1 64 64 ASN C C 64 172.577 172.577 174.186 -1.609 19703 3113 1 6 . 1 1 64 64 ASN CA C 64 52.317 52.317 52.392 -0.074 19703 3114 1 6 . 1 1 64 64 ASN CB C 64 40.113 40.113 40.488 -0.375 19703 3115 1 6 . 1 1 64 64 ASN H H 64 7.875 7.875 7.798 0.077 19703 3116 1 6 . 1 1 65 65 GLU N N 65 126.101 126.101 123.531 2.570 19703 3117 1 6 . 1 1 65 65 GLU HA H 65 4.132 4.132 4.274 -0.142 19703 3118 1 6 . 1 1 65 65 GLU C C 65 176.297 176.297 175.259 1.038 19703 3119 1 6 . 1 1 65 65 GLU CA C 65 57.575 57.575 56.223 1.352 19703 3120 1 6 . 1 1 65 65 GLU CB C 65 30.195 30.195 30.202 -0.007 19703 3121 1 6 . 1 1 65 65 GLU H H 65 8.791 8.791 8.370 0.421 19703 3122 1 6 . 1 1 66 66 ILE N N 66 125.274 125.274 118.909 6.365 19703 3123 1 6 . 1 1 66 66 ILE HA H 66 3.995 3.995 4.463 -0.468 19703 3124 1 6 . 1 1 66 66 ILE C C 66 176.257 176.257 175.450 0.807 19703 3125 1 6 . 1 1 66 66 ILE CA C 66 62.046 62.046 59.554 2.491 19703 3126 1 6 . 1 1 66 66 ILE CB C 66 37.899 37.899 40.177 -2.278 19703 3127 1 6 . 1 1 66 66 ILE H H 66 8.973 8.973 8.036 0.937 19703 3128 1 6 . 1 1 67 67 SER N N 67 125.487 125.487 118.759 6.728 19703 3129 1 6 . 1 1 67 67 SER HA H 67 4.439 4.439 4.719 -0.280 19703 3130 1 6 . 1 1 67 67 SER C C 67 174.736 174.736 175.428 -0.692 19703 3131 1 6 . 1 1 67 67 SER CA C 67 58.127 58.127 57.120 1.008 19703 3132 1 6 . 1 1 67 67 SER CB C 67 66.057 66.057 65.016 1.041 19703 3133 1 6 . 1 1 67 67 SER H H 67 8.585 8.585 8.368 0.217 19703 3134 1 6 . 1 1 68 68 ASP N N 68 122.043 122.043 121.272 0.771 19703 3135 1 6 . 1 1 68 68 ASP HA H 68 4.309 4.309 4.331 -0.022 19703 3136 1 6 . 1 1 68 68 ASP C C 68 178.298 178.298 177.813 0.485 19703 3137 1 6 . 1 1 68 68 ASP CA C 68 57.596 57.596 57.187 0.409 19703 3138 1 6 . 1 1 68 68 ASP CB C 68 40.548 40.548 40.291 0.257 19703 3139 1 6 . 1 1 68 68 ASP H H 68 8.929 8.929 8.845 0.084 19703 3140 1 6 . 1 1 69 69 GLU N N 69 118.225 118.225 119.090 -0.865 19703 3141 1 6 . 1 1 69 69 GLU HA H 69 3.960 3.960 4.159 -0.199 19703 3142 1 6 . 1 1 69 69 GLU C C 69 178.938 178.938 178.713 0.225 19703 3143 1 6 . 1 1 69 69 GLU CA C 69 60.728 60.728 58.520 2.208 19703 3144 1 6 . 1 1 69 69 GLU CB C 69 29.492 29.492 29.099 0.393 19703 3145 1 6 . 1 1 69 69 GLU H H 69 8.852 8.852 8.399 0.453 19703 3146 1 6 . 1 1 70 70 GLU N N 70 121.051 121.051 121.053 -0.002 19703 3147 1 6 . 1 1 70 70 GLU HA H 70 3.820 3.820 4.082 -0.262 19703 3148 1 6 . 1 1 70 70 GLU C C 70 177.857 177.857 178.667 -0.810 19703 3149 1 6 . 1 1 70 70 GLU CA C 70 59.443 59.443 58.890 0.553 19703 3150 1 6 . 1 1 70 70 GLU CB C 70 28.344 28.344 29.099 -0.755 19703 3151 1 6 . 1 1 70 70 GLU H H 70 7.923 7.923 8.254 -0.331 19703 3152 1 6 . 1 1 71 71 ASN N N 71 118.461 118.461 116.607 1.854 19703 3153 1 6 . 1 1 71 71 ASN HA H 71 4.360 4.360 4.432 -0.072 19703 3154 1 6 . 1 1 71 71 ASN C C 71 177.621 177.621 176.689 0.932 19703 3155 1 6 . 1 1 71 71 ASN CA C 71 56.919 56.919 56.238 0.681 19703 3156 1 6 . 1 1 71 71 ASN CB C 71 38.688 38.688 38.559 0.129 19703 3157 1 6 . 1 1 71 71 ASN H H 71 7.988 7.988 8.377 -0.389 19703 3158 1 6 . 1 1 72 72 ASP N N 72 118.807 118.807 120.830 -2.023 19703 3159 1 6 . 1 1 72 72 ASP HA H 72 4.249 4.249 4.476 -0.227 19703 3160 1 6 . 1 1 72 72 ASP C C 72 178.772 178.772 178.195 0.577 19703 3161 1 6 . 1 1 72 72 ASP CA C 72 57.507 57.507 56.635 0.872 19703 3162 1 6 . 1 1 72 72 ASP CB C 72 40.932 40.932 41.122 -0.190 19703 3163 1 6 . 1 1 72 72 ASP H H 72 8.129 8.129 7.438 0.691 19703 3164 1 6 . 1 1 73 73 MET N N 73 117.610 117.610 118.286 -0.676 19703 3165 1 6 . 1 1 73 73 MET HA H 73 4.415 4.415 4.094 0.321 19703 3166 1 6 . 1 1 73 73 MET C C 73 180.694 180.694 178.303 2.391 19703 3167 1 6 . 1 1 73 73 MET CA C 73 56.144 56.144 58.166 -2.022 19703 3168 1 6 . 1 1 73 73 MET CB C 73 34.126 34.126 31.964 2.162 19703 3169 1 6 . 1 1 73 73 MET H H 73 7.523 7.523 7.718 -0.195 19703 3170 1 6 . 1 1 74 74 LEU N N 74 123.258 123.258 120.953 2.305 19703 3171 1 6 . 1 1 74 74 LEU HA H 74 3.768 3.768 3.938 -0.170 19703 3172 1 6 . 1 1 74 74 LEU C C 74 178.471 178.471 178.546 -0.075 19703 3173 1 6 . 1 1 74 74 LEU CA C 74 57.865 57.865 58.977 -1.112 19703 3174 1 6 . 1 1 74 74 LEU CB C 74 41.013 41.013 41.517 -0.504 19703 3175 1 6 . 1 1 74 74 LEU H H 74 8.850 8.850 7.784 1.066 19703 3176 1 6 . 1 1 75 75 ASP N N 75 115.491 115.491 118.190 -2.699 19703 3177 1 6 . 1 1 75 75 ASP HA H 75 4.320 4.320 4.309 0.011 19703 3178 1 6 . 1 1 75 75 ASP C C 75 177.521 177.521 177.144 0.377 19703 3179 1 6 . 1 1 75 75 ASP CA C 75 57.000 57.000 56.515 0.485 19703 3180 1 6 . 1 1 75 75 ASP CB C 75 41.163 41.163 40.620 0.543 19703 3181 1 6 . 1 1 75 75 ASP H H 75 7.439 7.439 7.913 -0.474 19703 3182 1 6 . 1 1 76 76 LEU N N 76 116.660 116.660 117.674 -1.014 19703 3183 1 6 . 1 1 76 76 LEU HA H 76 4.280 4.280 4.250 0.030 19703 3184 1 6 . 1 1 76 76 LEU C C 76 177.224 177.224 175.761 1.463 19703 3185 1 6 . 1 1 76 76 LEU CA C 76 54.067 54.067 54.218 -0.151 19703 3186 1 6 . 1 1 76 76 LEU CB C 76 42.211 42.211 41.502 0.709 19703 3187 1 6 . 1 1 76 76 LEU H H 76 7.039 7.039 7.363 -0.324 19703 3188 1 6 . 1 1 77 77 ALA N N 77 123.914 123.914 123.118 0.796 19703 3189 1 6 . 1 1 77 77 ALA HA H 77 4.074 4.074 4.319 -0.245 19703 3190 1 6 . 1 1 77 77 ALA C C 77 177.216 177.216 176.245 0.971 19703 3191 1 6 . 1 1 77 77 ALA CA C 77 52.304 52.304 51.255 1.049 19703 3192 1 6 . 1 1 77 77 ALA CB C 77 18.204 18.204 18.027 0.177 19703 3193 1 6 . 1 1 77 77 ALA H H 77 7.736 7.736 7.191 0.545 19703 3194 1 6 . 1 1 78 78 PHE N N 78 122.688 122.688 123.488 -0.800 19703 3195 1 6 . 1 1 78 78 PHE HA H 78 4.415 4.415 4.632 -0.217 19703 3196 1 6 . 1 1 78 78 PHE C C 78 176.460 176.460 177.275 -0.815 19703 3197 1 6 . 1 1 78 78 PHE CA C 78 57.752 57.752 58.184 -0.432 19703 3198 1 6 . 1 1 78 78 PHE CB C 78 39.221 39.221 39.751 -0.530 19703 3199 1 6 . 1 1 78 78 PHE H H 78 8.310 8.310 7.987 0.323 19703 3200 1 6 . 1 1 79 79 GLY N N 79 112.822 112.822 111.912 0.910 19703 3201 1 6 . 1 1 79 79 GLY C C 79 174.510 174.510 173.805 0.705 19703 3202 1 6 . 1 1 79 79 GLY CA C 79 46.279 46.279 44.862 1.417 19703 3203 1 6 . 1 1 79 79 GLY H H 79 8.383 8.383 8.885 -0.502 19703 3204 1 6 . 1 1 80 80 LEU N N 80 118.988 118.988 122.798 -3.810 19703 3205 1 6 . 1 1 80 80 LEU HA H 80 3.754 3.754 4.531 -0.777 19703 3206 1 6 . 1 1 80 80 LEU C C 80 176.528 176.528 176.825 -0.297 19703 3207 1 6 . 1 1 80 80 LEU CA C 80 56.497 56.497 54.563 1.934 19703 3208 1 6 . 1 1 80 80 LEU CB C 80 42.808 42.808 43.214 -0.406 19703 3209 1 6 . 1 1 80 80 LEU H H 80 6.978 6.978 7.548 -0.570 19703 3210 1 6 . 1 1 81 81 THR N N 81 118.057 118.057 112.682 5.375 19703 3211 1 6 . 1 1 81 81 THR HA H 81 4.857 4.857 4.401 0.456 19703 3212 1 6 . 1 1 81 81 THR C C 81 175.739 175.739 174.590 1.149 19703 3213 1 6 . 1 1 81 81 THR CA C 81 60.194 60.194 60.262 -0.068 19703 3214 1 6 . 1 1 81 81 THR CB C 81 73.868 73.868 69.688 4.180 19703 3215 1 6 . 1 1 81 81 THR H H 81 9.176 9.176 7.986 1.190 19703 3216 1 6 . 1 1 82 82 ASP N N 82 118.080 118.080 117.757 0.323 19703 3217 1 6 . 1 1 82 82 ASP HA H 82 4.379 4.379 4.362 0.017 19703 3218 1 6 . 1 1 82 82 ASP C C 82 176.700 176.700 176.274 0.426 19703 3219 1 6 . 1 1 82 82 ASP CA C 82 55.835 55.835 55.503 0.332 19703 3220 1 6 . 1 1 82 82 ASP CB C 82 40.675 40.675 40.241 0.434 19703 3221 1 6 . 1 1 82 82 ASP H H 82 8.679 8.679 8.574 0.105 19703 3222 1 6 . 1 1 83 83 THR N N 83 107.059 107.059 107.042 0.017 19703 3223 1 6 . 1 1 83 83 THR HA H 83 4.253 4.253 4.013 0.240 19703 3224 1 6 . 1 1 83 83 THR C C 83 174.494 174.494 174.185 0.309 19703 3225 1 6 . 1 1 83 83 THR CA C 83 59.749 59.749 63.053 -3.304 19703 3226 1 6 . 1 1 83 83 THR CB C 83 66.801 66.801 69.724 -2.923 19703 3227 1 6 . 1 1 83 83 THR H H 83 7.893 7.893 7.369 0.524 19703 3228 1 6 . 1 1 84 84 SER N N 84 121.526 121.526 117.393 4.133 19703 3229 1 6 . 1 1 84 84 SER HA H 84 5.080 5.080 4.647 0.433 19703 3230 1 6 . 1 1 84 84 SER C C 84 173.561 173.561 174.586 -1.025 19703 3231 1 6 . 1 1 84 84 SER CA C 84 61.844 61.844 57.405 4.439 19703 3232 1 6 . 1 1 84 84 SER CB C 84 64.933 64.933 63.825 1.108 19703 3233 1 6 . 1 1 84 84 SER H H 84 6.993 6.993 7.384 -0.391 19703 3234 1 6 . 1 1 85 85 ARG N N 85 118.632 118.632 127.939 -9.307 19703 3235 1 6 . 1 1 85 85 ARG HA H 85 4.809 4.809 4.815 -0.006 19703 3236 1 6 . 1 1 85 85 ARG C C 85 175.213 175.213 175.266 -0.053 19703 3237 1 6 . 1 1 85 85 ARG CA C 85 52.209 52.209 55.051 -2.842 19703 3238 1 6 . 1 1 85 85 ARG CB C 85 35.685 35.685 31.786 3.899 19703 3239 1 6 . 1 1 85 85 ARG H H 85 9.358 9.358 8.134 1.224 19703 3240 1 6 . 1 1 86 86 LEU N N 86 120.203 120.203 120.850 -0.647 19703 3241 1 6 . 1 1 86 86 LEU H H 86 9.122 9.122 8.927 0.195 19703 3242 1 6 . 1 1 89 89 GLN HA H 89 4.188 4.188 4.519 -0.331 19703 3243 1 6 . 1 1 89 89 GLN C C 89 173.992 173.992 175.397 -1.405 19703 3244 1 6 . 1 1 89 89 GLN CA C 89 53.850 53.850 54.632 -0.782 19703 3245 1 6 . 1 1 89 89 GLN CB C 89 29.721 29.721 29.675 0.046 19703 3246 1 6 . 1 1 90 90 ILE N N 90 117.060 117.060 118.779 -1.719 19703 3247 1 6 . 1 1 90 90 ILE HA H 90 3.787 3.787 3.742 0.045 19703 3248 1 6 . 1 1 90 90 ILE C C 90 173.762 173.762 174.712 -0.950 19703 3249 1 6 . 1 1 90 90 ILE CA C 90 58.765 58.765 62.142 -3.377 19703 3250 1 6 . 1 1 90 90 ILE CB C 90 37.268 37.268 35.714 1.554 19703 3251 1 6 . 1 1 90 90 ILE H H 90 6.736 6.736 8.098 -1.362 19703 3252 1 6 . 1 1 91 91 ILE N N 91 128.173 128.173 119.823 8.350 19703 3253 1 6 . 1 1 91 91 ILE HA H 91 3.895 3.895 4.583 -0.688 19703 3254 1 6 . 1 1 91 91 ILE C C 91 175.955 175.955 175.451 0.504 19703 3255 1 6 . 1 1 91 91 ILE CA C 91 60.160 60.160 59.001 1.159 19703 3256 1 6 . 1 1 91 91 ILE CB C 91 37.104 37.104 39.068 -1.964 19703 3257 1 6 . 1 1 91 91 ILE H H 91 8.157 8.157 8.040 0.117 19703 3258 1 6 . 1 1 92 92 LEU N N 92 127.403 127.403 127.740 -0.337 19703 3259 1 6 . 1 1 92 92 LEU HA H 92 4.105 4.105 4.325 -0.220 19703 3260 1 6 . 1 1 92 92 LEU C C 92 174.391 174.391 176.705 -2.314 19703 3261 1 6 . 1 1 92 92 LEU CA C 92 54.805 54.805 55.986 -1.181 19703 3262 1 6 . 1 1 92 92 LEU CB C 92 40.594 40.594 42.507 -1.913 19703 3263 1 6 . 1 1 92 92 LEU H H 92 8.979 8.979 8.794 0.185 19703 3264 1 6 . 1 1 93 93 THR N N 93 110.385 110.385 109.776 0.609 19703 3265 1 6 . 1 1 93 93 THR HA H 93 4.760 4.760 4.927 -0.167 19703 3266 1 6 . 1 1 93 93 THR C C 93 176.119 176.119 174.911 1.208 19703 3267 1 6 . 1 1 93 93 THR CA C 93 59.059 59.059 59.650 -0.591 19703 3268 1 6 . 1 1 93 93 THR CB C 93 72.517 72.517 70.960 1.557 19703 3269 1 6 . 1 1 93 93 THR H H 93 6.270 6.270 8.151 -1.881 19703 3270 1 6 . 1 1 94 94 LYS N N 94 120.484 120.484 124.049 -3.565 19703 3271 1 6 . 1 1 94 94 LYS HA H 94 3.684 3.684 4.014 -0.330 19703 3272 1 6 . 1 1 94 94 LYS C C 94 177.634 177.634 177.989 -0.355 19703 3273 1 6 . 1 1 94 94 LYS CA C 94 59.586 59.586 58.916 0.670 19703 3274 1 6 . 1 1 94 94 LYS CB C 94 31.690 31.690 32.137 -0.447 19703 3275 1 6 . 1 1 94 94 LYS H H 94 9.071 9.071 8.870 0.201 19703 3276 1 6 . 1 1 95 95 GLU N N 95 118.365 118.365 119.487 -1.122 19703 3277 1 6 . 1 1 95 95 GLU HA H 95 3.960 3.960 4.151 -0.191 19703 3278 1 6 . 1 1 95 95 GLU C C 95 176.639 176.639 178.036 -1.397 19703 3279 1 6 . 1 1 95 95 GLU CA C 95 59.480 59.480 58.691 0.789 19703 3280 1 6 . 1 1 95 95 GLU CB C 95 28.224 28.224 29.579 -1.355 19703 3281 1 6 . 1 1 95 95 GLU H H 95 8.422 8.422 7.867 0.555 19703 3282 1 6 . 1 1 96 96 LEU N N 96 116.407 116.407 118.777 -2.370 19703 3283 1 6 . 1 1 96 96 LEU HA H 96 4.453 4.453 4.502 -0.049 19703 3284 1 6 . 1 1 96 96 LEU C C 96 174.106 174.106 176.080 -1.974 19703 3285 1 6 . 1 1 96 96 LEU CA C 96 53.499 53.499 54.082 -0.583 19703 3286 1 6 . 1 1 96 96 LEU CB C 96 40.899 40.899 41.895 -0.996 19703 3287 1 6 . 1 1 96 96 LEU H H 96 7.727 7.727 7.525 0.202 19703 3288 1 6 . 1 1 97 97 ASP N N 97 116.722 116.722 120.946 -4.224 19703 3289 1 6 . 1 1 97 97 ASP HA H 97 4.012 4.012 4.397 -0.385 19703 3290 1 6 . 1 1 97 97 ASP C C 97 175.803 175.803 177.908 -2.105 19703 3291 1 6 . 1 1 97 97 ASP CA C 97 56.511 56.511 55.238 1.273 19703 3292 1 6 . 1 1 97 97 ASP CB C 97 41.691 41.691 40.845 0.846 19703 3293 1 6 . 1 1 97 97 ASP H H 97 7.046 7.046 8.028 -0.982 19703 3294 1 6 . 1 1 98 98 GLY N N 98 117.545 117.545 115.389 2.156 19703 3295 1 6 . 1 1 98 98 GLY C C 98 173.481 173.481 173.571 -0.090 19703 3296 1 6 . 1 1 98 98 GLY CA C 98 44.602 44.602 45.322 -0.720 19703 3297 1 6 . 1 1 98 98 GLY H H 98 8.957 8.957 8.481 0.476 19703 3298 1 6 . 1 1 99 99 LEU N N 99 122.555 122.555 121.736 0.819 19703 3299 1 6 . 1 1 99 99 LEU C C 99 173.036 173.036 175.977 -2.941 19703 3300 1 6 . 1 1 99 99 LEU CA C 99 55.737 55.737 53.355 2.381 19703 3301 1 6 . 1 1 99 99 LEU CB C 99 42.087 42.087 44.587 -2.499 19703 3302 1 6 . 1 1 99 99 LEU H H 99 7.239 7.239 7.933 -0.694 19703 3303 1 6 . 1 1 100 100 CYS N N 100 121.421 121.421 120.224 1.197 19703 3304 1 6 . 1 1 100 100 CYS HA H 100 5.219 5.219 5.139 0.080 19703 3305 1 6 . 1 1 100 100 CYS C C 100 172.184 172.184 174.148 -1.964 19703 3306 1 6 . 1 1 100 100 CYS CA C 100 54.042 54.042 56.514 -2.472 19703 3307 1 6 . 1 1 100 100 CYS CB C 100 45.330 45.330 28.251 17.079 19703 3308 1 6 . 1 1 100 100 CYS H H 100 5.355 5.355 8.687 -3.332 19703 3309 1 6 . 1 1 101 101 VAL N N 101 121.510 121.510 118.268 3.242 19703 3310 1 6 . 1 1 101 101 VAL HA H 101 4.435 4.435 4.677 -0.242 19703 3311 1 6 . 1 1 101 101 VAL C C 101 172.314 172.314 174.307 -1.993 19703 3312 1 6 . 1 1 101 101 VAL CA C 101 59.936 59.936 59.760 0.176 19703 3313 1 6 . 1 1 101 101 VAL CB C 101 34.396 34.396 35.448 -1.052 19703 3314 1 6 . 1 1 101 101 VAL H H 101 8.691 8.691 8.607 0.084 19703 3315 1 6 . 1 1 102 102 ILE N N 102 126.427 126.427 119.992 6.435 19703 3316 1 6 . 1 1 102 102 ILE HA H 102 4.505 4.505 4.267 0.238 19703 3317 1 6 . 1 1 102 102 ILE C C 102 175.584 175.584 176.770 -1.186 19703 3318 1 6 . 1 1 102 102 ILE CA C 102 60.603 60.603 59.994 0.609 19703 3319 1 6 . 1 1 102 102 ILE CB C 102 40.383 40.383 37.787 2.596 19703 3320 1 6 . 1 1 102 102 ILE H H 102 9.582 9.582 8.043 1.539 19703 3321 1 6 . 1 1 103 103 LEU N N 103 127.589 127.589 127.028 0.561 19703 3322 1 6 . 1 1 103 103 LEU HA H 103 4.665 4.665 4.170 0.495 19703 3323 1 6 . 1 1 103 103 LEU C C 103 174.725 174.725 176.307 -1.582 19703 3324 1 6 . 1 1 103 103 LEU CA C 103 52.048 52.048 54.416 -2.368 19703 3325 1 6 . 1 1 103 103 LEU CB C 103 40.970 40.970 41.271 -0.301 19703 3326 1 6 . 1 1 103 103 LEU H H 103 8.321 8.321 8.331 -0.010 19703 3327 1 6 . 1 1 104 104 PRO HA H 104 4.306 4.306 4.340 -0.034 19703 3328 1 6 . 1 1 104 104 PRO C C 104 176.389 176.389 176.584 -0.195 19703 3329 1 6 . 1 1 104 104 PRO CA C 104 62.963 62.963 64.044 -1.081 19703 3330 1 6 . 1 1 104 104 PRO CB C 104 32.265 32.265 32.209 0.056 19703 3331 1 6 . 1 1 105 105 THR N N 105 113.257 113.257 114.066 -0.809 19703 3332 1 6 . 1 1 105 105 THR HA H 105 4.139 4.139 4.385 -0.246 19703 3333 1 6 . 1 1 105 105 THR C C 105 174.080 174.080 173.132 0.948 19703 3334 1 6 . 1 1 105 105 THR CA C 105 62.593 62.593 61.914 0.679 19703 3335 1 6 . 1 1 105 105 THR CB C 105 69.871 69.871 71.110 -1.239 19703 3336 1 6 . 1 1 105 105 THR H H 105 8.108 8.108 7.486 0.622 19703 3337 1 6 . 1 1 106 106 GLU N N 106 122.035 122.035 127.178 -5.143 19703 3338 1 6 . 1 1 106 106 GLU HA H 106 4.352 4.352 4.439 -0.087 19703 3339 1 6 . 1 1 106 106 GLU C C 106 176.012 176.012 175.709 0.303 19703 3340 1 6 . 1 1 106 106 GLU CA C 106 56.393 56.393 56.108 0.285 19703 3341 1 6 . 1 1 106 106 GLU CB C 106 31.113 31.113 29.362 1.751 19703 3342 1 6 . 1 1 106 106 GLU H H 106 8.291 8.291 8.642 -0.351 19703 3343 1 6 . 1 1 107 107 THR N N 107 115.185 115.185 115.110 0.075 19703 3344 1 6 . 1 1 107 107 THR HA H 107 4.240 4.240 4.482 -0.242 19703 3345 1 6 . 1 1 107 107 THR C C 107 174.345 174.345 174.164 0.181 19703 3346 1 6 . 1 1 107 107 THR CA C 107 61.839 61.839 61.723 0.116 19703 3347 1 6 . 1 1 107 107 THR CB C 107 70.027 70.027 69.620 0.407 19703 3348 1 6 . 1 1 107 107 THR H H 107 8.308 8.308 8.192 0.116 19703 3349 1 6 . 1 1 108 108 ARG N N 108 122.789 122.789 122.059 0.730 19703 3350 1 6 . 1 1 108 108 ARG HA H 108 4.133 4.133 4.005 0.128 19703 3351 1 6 . 1 1 108 108 ARG C C 108 175.543 175.543 175.148 0.395 19703 3352 1 6 . 1 1 108 108 ARG CA C 108 56.088 56.088 56.625 -0.537 19703 3353 1 6 . 1 1 108 108 ARG CB C 108 30.906 30.906 29.399 1.506 19703 3354 1 6 . 1 1 108 108 ARG H H 108 8.289 8.289 8.658 -0.369 19703 3355 1 6 . 1 1 109 109 ASN N N 109 120.177 120.177 117.734 2.443 19703 3356 1 6 . 1 1 109 109 ASN HA H 109 4.579 4.579 4.942 -0.363 19703 3357 1 6 . 1 1 109 109 ASN C C 109 175.106 175.106 174.360 0.746 19703 3358 1 6 . 1 1 109 109 ASN CA C 109 53.134 53.134 52.688 0.446 19703 3359 1 6 . 1 1 109 109 ASN CB C 109 38.735 38.735 37.838 0.897 19703 3360 1 6 . 1 1 109 109 ASN H H 109 8.365 8.365 8.529 -0.164 19703 3361 1 6 . 1 1 110 110 ILE N N 110 120.936 120.936 122.080 -1.144 19703 3362 1 6 . 1 1 110 110 ILE HA H 110 4.070 4.070 4.260 -0.190 19703 3363 1 6 . 1 1 110 110 ILE C C 110 175.914 175.914 175.738 0.176 19703 3364 1 6 . 1 1 110 110 ILE CA C 110 61.340 61.340 61.642 -0.302 19703 3365 1 6 . 1 1 110 110 ILE CB C 110 38.861 38.861 38.746 0.115 19703 3366 1 6 . 1 1 110 110 ILE H H 110 7.983 7.983 8.102 -0.119 19703 3367 1 6 . 1 1 111 111 SER N N 111 118.751 118.751 113.155 5.596 19703 3368 1 6 . 1 1 111 111 SER HA H 111 4.340 4.340 4.849 -0.509 19703 3369 1 6 . 1 1 111 111 SER C C 111 173.977 173.977 173.125 0.852 19703 3370 1 6 . 1 1 111 111 SER CA C 111 58.315 58.315 57.599 0.716 19703 3371 1 6 . 1 1 111 111 SER CB C 111 63.845 63.845 64.993 -1.147 19703 3372 1 6 . 1 1 111 111 SER H H 111 8.176 8.176 7.359 0.817 19703 3373 1 6 . 1 1 112 112 PHE N N 112 122.536 122.536 119.837 2.699 19703 3374 1 6 . 1 1 112 112 PHE HA H 112 4.555 4.555 4.863 -0.308 19703 3375 1 6 . 1 1 112 112 PHE C C 112 175.282 175.282 174.893 0.389 19703 3376 1 6 . 1 1 112 112 PHE CA C 112 57.743 57.743 58.338 -0.595 19703 3377 1 6 . 1 1 112 112 PHE CB C 112 39.708 39.708 42.291 -2.583 19703 3378 1 6 . 1 1 112 112 PHE H H 112 8.118 8.118 8.830 -0.712 19703 3379 1 6 . 1 1 113 113 VAL N N 113 122.561 122.561 117.254 5.307 19703 3380 1 6 . 1 1 113 113 VAL HA H 113 3.922 3.922 4.486 -0.564 19703 3381 1 6 . 1 1 113 113 VAL C C 113 175.447 175.447 174.714 0.733 19703 3382 1 6 . 1 1 113 113 VAL CA C 113 62.237 62.237 62.632 -0.395 19703 3383 1 6 . 1 1 113 113 VAL CB C 113 32.899 32.899 31.225 1.674 19703 3384 1 6 . 1 1 113 113 VAL H H 113 7.907 7.907 8.595 -0.688 19703 3385 1 6 . 1 1 114 114 LYS N N 114 125.629 125.629 121.530 4.099 19703 3386 1 6 . 1 1 114 114 LYS HA H 114 4.208 4.208 4.480 -0.272 19703 3387 1 6 . 1 1 114 114 LYS C C 114 176.039 176.039 175.886 0.153 19703 3388 1 6 . 1 1 114 114 LYS CA C 114 56.316 56.316 55.079 1.237 19703 3389 1 6 . 1 1 114 114 LYS CB C 114 33.152 33.152 34.868 -1.716 19703 3390 1 6 . 1 1 114 114 LYS H H 114 8.283 8.283 7.673 0.610 19703 3391 1 6 . 1 1 115 115 ASN N N 115 121.240 121.240 118.668 2.572 19703 3392 1 6 . 1 1 115 115 ASN HA H 115 4.672 4.672 4.444 0.228 19703 3393 1 6 . 1 1 115 115 ASN C C 115 174.230 174.230 174.016 0.214 19703 3394 1 6 . 1 1 115 115 ASN CA C 115 53.356 53.356 53.580 -0.224 19703 3395 1 6 . 1 1 115 115 ASN CB C 115 39.079 39.079 38.509 0.570 19703 3396 1 6 . 1 1 115 115 ASN H H 115 8.452 8.452 8.657 -0.205 19703 3397 1 7 . 1 1 2 2 PRO HA H 2 4.138 4.138 4.466 -0.328 19703 3398 1 7 . 1 1 2 2 PRO C C 2 174.711 174.711 175.191 -0.480 19703 3399 1 7 . 1 1 2 2 PRO CA C 2 61.918 61.918 62.959 -1.042 19703 3400 1 7 . 1 1 2 2 PRO CB C 2 31.604 31.604 32.300 -0.696 19703 3401 1 7 . 1 1 3 3 LEU N N 3 122.430 122.430 119.519 2.911 19703 3402 1 7 . 1 1 3 3 LEU HA H 3 4.840 4.840 4.584 0.256 19703 3403 1 7 . 1 1 3 3 LEU C C 3 176.954 176.954 174.987 1.967 19703 3404 1 7 . 1 1 3 3 LEU CA C 3 53.697 53.697 54.013 -0.316 19703 3405 1 7 . 1 1 3 3 LEU CB C 3 42.404 42.404 45.152 -2.748 19703 3406 1 7 . 1 1 3 3 LEU H H 3 8.745 8.745 8.077 0.668 19703 3407 1 7 . 1 1 4 4 ILE N N 4 125.237 125.237 122.583 2.654 19703 3408 1 7 . 1 1 4 4 ILE HA H 4 4.465 4.465 4.570 -0.105 19703 3409 1 7 . 1 1 4 4 ILE C C 4 174.949 174.949 175.146 -0.197 19703 3410 1 7 . 1 1 4 4 ILE CA C 4 57.967 57.967 58.622 -0.655 19703 3411 1 7 . 1 1 4 4 ILE CB C 4 38.795 38.795 40.218 -1.423 19703 3412 1 7 . 1 1 4 4 ILE H H 4 8.824 8.824 7.948 0.876 19703 3413 1 7 . 1 1 5 5 THR N N 5 124.237 124.237 121.762 2.475 19703 3414 1 7 . 1 1 5 5 THR HA H 5 5.133 5.133 4.799 0.334 19703 3415 1 7 . 1 1 5 5 THR C C 5 172.705 172.705 173.633 -0.928 19703 3416 1 7 . 1 1 5 5 THR CA C 5 61.945 61.945 61.294 0.651 19703 3417 1 7 . 1 1 5 5 THR CB C 5 70.736 70.736 69.819 0.917 19703 3418 1 7 . 1 1 5 5 THR H H 5 8.802 8.802 8.114 0.688 19703 3419 1 7 . 1 1 6 6 PHE N N 6 124.358 124.358 126.615 -2.257 19703 3420 1 7 . 1 1 6 6 PHE HA H 6 5.244 5.244 5.440 -0.196 19703 3421 1 7 . 1 1 6 6 PHE C C 6 176.172 176.172 175.303 0.869 19703 3422 1 7 . 1 1 6 6 PHE CA C 6 56.309 56.309 55.338 0.971 19703 3423 1 7 . 1 1 6 6 PHE CB C 6 42.111 42.111 42.056 0.056 19703 3424 1 7 . 1 1 6 6 PHE H H 6 9.239 9.239 8.065 1.174 19703 3425 1 7 . 1 1 7 7 ILE N N 7 126.251 126.251 123.702 2.549 19703 3426 1 7 . 1 1 7 7 ILE HA H 7 4.847 4.847 4.643 0.204 19703 3427 1 7 . 1 1 7 7 ILE C C 7 176.608 176.608 175.091 1.517 19703 3428 1 7 . 1 1 7 7 ILE CA C 7 60.317 60.317 60.157 0.160 19703 3429 1 7 . 1 1 7 7 ILE CB C 7 38.252 38.252 39.999 -1.747 19703 3430 1 7 . 1 1 7 7 ILE H H 7 9.509 9.509 7.895 1.614 19703 3431 1 7 . 1 1 8 8 SER N N 8 124.211 124.211 121.886 2.325 19703 3432 1 7 . 1 1 8 8 SER C C 8 174.143 174.143 174.582 -0.439 19703 3433 1 7 . 1 1 8 8 SER CA C 8 59.506 59.506 55.210 4.296 19703 3434 1 7 . 1 1 8 8 SER CB C 8 62.938 62.938 64.542 -1.604 19703 3435 1 7 . 1 1 8 8 SER H H 8 8.880 8.880 8.924 -0.044 19703 3436 1 7 . 1 1 9 9 PRO HA H 9 4.326 4.326 4.406 -0.080 19703 3437 1 7 . 1 1 9 9 PRO C C 9 176.530 176.530 176.512 0.018 19703 3438 1 7 . 1 1 9 9 PRO CA C 9 65.685 65.685 64.672 1.013 19703 3439 1 7 . 1 1 9 9 PRO CB C 9 31.920 31.920 31.630 0.290 19703 3440 1 7 . 1 1 10 10 ASP N N 10 113.865 113.865 117.370 -3.505 19703 3441 1 7 . 1 1 10 10 ASP HA H 10 4.413 4.413 4.747 -0.334 19703 3442 1 7 . 1 1 10 10 ASP C C 10 177.083 177.083 176.923 0.160 19703 3443 1 7 . 1 1 10 10 ASP CA C 10 53.302 53.302 53.955 -0.653 19703 3444 1 7 . 1 1 10 10 ASP CB C 10 39.571 39.571 40.702 -1.131 19703 3445 1 7 . 1 1 10 10 ASP H H 10 7.667 7.667 7.883 -0.216 19703 3446 1 7 . 1 1 11 11 GLY N N 11 109.808 109.808 108.336 1.472 19703 3447 1 7 . 1 1 11 11 GLY C C 11 174.638 174.638 174.357 0.281 19703 3448 1 7 . 1 1 11 11 GLY CA C 11 44.844 44.844 45.611 -0.767 19703 3449 1 7 . 1 1 11 11 GLY H H 11 8.538 8.538 7.838 0.700 19703 3450 1 7 . 1 1 12 12 SER N N 12 118.381 118.381 115.923 2.458 19703 3451 1 7 . 1 1 12 12 SER HA H 12 4.224 4.224 4.582 -0.358 19703 3452 1 7 . 1 1 12 12 SER C C 12 172.370 172.370 173.337 -0.967 19703 3453 1 7 . 1 1 12 12 SER CA C 12 59.344 59.344 57.734 1.610 19703 3454 1 7 . 1 1 12 12 SER CB C 12 63.909 63.909 63.991 -0.082 19703 3455 1 7 . 1 1 12 12 SER H H 12 8.233 8.233 7.606 0.627 19703 3456 1 7 . 1 1 13 13 ARG N N 13 119.429 119.429 120.717 -1.288 19703 3457 1 7 . 1 1 13 13 ARG HA H 13 5.322 5.322 5.309 0.013 19703 3458 1 7 . 1 1 13 13 ARG C C 13 175.622 175.622 175.041 0.581 19703 3459 1 7 . 1 1 13 13 ARG CA C 13 54.652 54.652 54.674 -0.022 19703 3460 1 7 . 1 1 13 13 ARG CB C 13 33.616 33.616 33.577 0.039 19703 3461 1 7 . 1 1 13 13 ARG H H 13 8.386 8.386 8.239 0.147 19703 3462 1 7 . 1 1 14 14 LYS N N 14 122.872 122.872 121.915 0.957 19703 3463 1 7 . 1 1 14 14 LYS HA H 14 4.409 4.409 4.412 -0.003 19703 3464 1 7 . 1 1 14 14 LYS C C 14 173.900 173.900 175.106 -1.206 19703 3465 1 7 . 1 1 14 14 LYS CA C 14 55.236 55.236 53.980 1.256 19703 3466 1 7 . 1 1 14 14 LYS CB C 14 37.200 37.200 35.296 1.904 19703 3467 1 7 . 1 1 14 14 LYS H H 14 8.313 8.313 8.540 -0.227 19703 3468 1 7 . 1 1 15 15 THR N N 15 119.577 119.577 116.576 3.001 19703 3469 1 7 . 1 1 15 15 THR HA H 15 5.021 5.021 4.497 0.524 19703 3470 1 7 . 1 1 15 15 THR C C 15 173.125 173.125 173.232 -0.107 19703 3471 1 7 . 1 1 15 15 THR CA C 15 61.744 61.744 61.442 0.302 19703 3472 1 7 . 1 1 15 15 THR CB C 15 70.674 70.674 69.856 0.818 19703 3473 1 7 . 1 1 15 15 THR H H 15 8.058 8.058 8.027 0.031 19703 3474 1 7 . 1 1 16 16 TYR N N 16 124.739 124.739 122.352 2.387 19703 3475 1 7 . 1 1 16 16 TYR HA H 16 4.793 4.793 4.816 -0.023 19703 3476 1 7 . 1 1 16 16 TYR C C 16 174.110 174.110 173.776 0.334 19703 3477 1 7 . 1 1 16 16 TYR CA C 16 56.177 56.177 55.691 0.485 19703 3478 1 7 . 1 1 16 16 TYR CB C 16 43.856 43.856 39.572 4.284 19703 3479 1 7 . 1 1 16 16 TYR H H 16 9.192 9.192 7.840 1.352 19703 3480 1 7 . 1 1 17 17 GLU N N 17 120.492 120.492 123.063 -2.571 19703 3481 1 7 . 1 1 17 17 GLU HA H 17 4.402 4.402 4.248 0.154 19703 3482 1 7 . 1 1 17 17 GLU C C 17 175.431 175.431 176.040 -0.609 19703 3483 1 7 . 1 1 17 17 GLU CA C 17 55.885 55.885 57.174 -1.289 19703 3484 1 7 . 1 1 17 17 GLU CB C 17 30.772 30.772 29.759 1.013 19703 3485 1 7 . 1 1 17 17 GLU H H 17 8.485 8.485 8.690 -0.205 19703 3486 1 7 . 1 1 18 18 ALA N N 18 127.314 127.314 128.837 -1.523 19703 3487 1 7 . 1 1 18 18 ALA HA H 18 4.289 4.289 4.600 -0.311 19703 3488 1 7 . 1 1 18 18 ALA C C 18 176.561 176.561 175.634 0.927 19703 3489 1 7 . 1 1 18 18 ALA CA C 18 50.368 50.368 51.733 -1.365 19703 3490 1 7 . 1 1 18 18 ALA CB C 18 22.174 22.174 21.529 0.645 19703 3491 1 7 . 1 1 18 18 ALA H H 18 8.394 8.394 8.165 0.229 19703 3492 1 7 . 1 1 19 19 TYR N N 19 118.845 118.845 116.297 2.548 19703 3493 1 7 . 1 1 19 19 TYR HA H 19 4.698 4.698 4.674 0.024 19703 3494 1 7 . 1 1 19 19 TYR C C 19 175.697 175.697 174.209 1.488 19703 3495 1 7 . 1 1 19 19 TYR CA C 19 55.217 55.217 56.791 -1.574 19703 3496 1 7 . 1 1 19 19 TYR CB C 19 38.407 38.407 42.837 -4.430 19703 3497 1 7 . 1 1 19 19 TYR H H 19 8.588 8.588 8.653 -0.065 19703 3498 1 7 . 1 1 20 20 ASP N N 20 121.106 121.106 119.210 1.896 19703 3499 1 7 . 1 1 20 20 ASP HA H 20 4.176 4.176 4.683 -0.507 19703 3500 1 7 . 1 1 20 20 ASP C C 20 176.460 176.460 175.976 0.484 19703 3501 1 7 . 1 1 20 20 ASP CA C 20 55.993 55.993 54.319 1.674 19703 3502 1 7 . 1 1 20 20 ASP CB C 20 41.290 41.290 40.821 0.469 19703 3503 1 7 . 1 1 20 20 ASP H H 20 8.280 8.280 8.661 -0.381 19703 3504 1 7 . 1 1 21 21 GLY N N 21 115.001 115.001 112.554 2.447 19703 3505 1 7 . 1 1 21 21 GLY C C 21 173.948 173.948 173.986 -0.038 19703 3506 1 7 . 1 1 21 21 GLY CA C 21 45.288 45.288 45.927 -0.639 19703 3507 1 7 . 1 1 21 21 GLY H H 21 9.011 9.011 8.474 0.537 19703 3508 1 7 . 1 1 22 22 GLU N N 22 121.980 121.980 120.264 1.716 19703 3509 1 7 . 1 1 22 22 GLU HA H 22 4.517 4.517 4.454 0.063 19703 3510 1 7 . 1 1 22 22 GLU C C 22 175.114 175.114 176.032 -0.918 19703 3511 1 7 . 1 1 22 22 GLU CA C 22 55.077 55.077 55.070 0.007 19703 3512 1 7 . 1 1 22 22 GLU CB C 22 30.747 30.747 30.763 -0.016 19703 3513 1 7 . 1 1 22 22 GLU H H 22 7.856 7.856 7.807 0.049 19703 3514 1 7 . 1 1 23 23 THR N N 23 110.390 110.390 120.012 -9.622 19703 3515 1 7 . 1 1 23 23 THR HA H 23 5.382 5.382 4.419 0.963 19703 3516 1 7 . 1 1 23 23 THR C C 23 176.857 176.857 176.167 0.690 19703 3517 1 7 . 1 1 23 23 THR CA C 23 60.549 60.549 61.072 -0.523 19703 3518 1 7 . 1 1 23 23 THR CB C 23 72.554 72.554 69.910 2.644 19703 3519 1 7 . 1 1 23 23 THR H H 23 8.234 8.234 8.455 -0.221 19703 3520 1 7 . 1 1 24 24 LEU N N 24 120.243 120.243 123.202 -2.959 19703 3521 1 7 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.096 -0.074 19703 3522 1 7 . 1 1 24 24 LEU C C 24 178.102 178.102 177.744 0.358 19703 3523 1 7 . 1 1 24 24 LEU CA C 24 58.076 58.076 57.345 0.731 19703 3524 1 7 . 1 1 24 24 LEU CB C 24 41.982 41.982 41.113 0.869 19703 3525 1 7 . 1 1 24 24 LEU H H 24 8.410 8.410 8.814 -0.404 19703 3526 1 7 . 1 1 25 25 LEU N N 25 116.005 116.005 119.690 -3.685 19703 3527 1 7 . 1 1 25 25 LEU HA H 25 3.772 3.772 3.872 -0.100 19703 3528 1 7 . 1 1 25 25 LEU C C 25 176.517 176.517 179.159 -2.642 19703 3529 1 7 . 1 1 25 25 LEU CA C 25 57.593 57.593 57.758 -0.166 19703 3530 1 7 . 1 1 25 25 LEU CB C 25 42.559 42.559 40.615 1.944 19703 3531 1 7 . 1 1 25 25 LEU H H 25 6.645 6.645 7.584 -0.939 19703 3532 1 7 . 1 1 26 26 SER N N 26 115.141 115.141 115.352 -0.211 19703 3533 1 7 . 1 1 26 26 SER HA H 26 4.061 4.061 3.721 0.340 19703 3534 1 7 . 1 1 26 26 SER C C 26 177.287 177.287 176.589 0.698 19703 3535 1 7 . 1 1 26 26 SER CA C 26 61.413 61.413 60.921 0.492 19703 3536 1 7 . 1 1 26 26 SER CB C 26 62.377 62.377 62.669 -0.292 19703 3537 1 7 . 1 1 26 26 SER H H 26 7.847 7.847 7.608 0.239 19703 3538 1 7 . 1 1 27 27 LEU N N 27 122.244 122.244 122.848 -0.604 19703 3539 1 7 . 1 1 27 27 LEU HA H 27 3.837 3.837 3.927 -0.090 19703 3540 1 7 . 1 1 27 27 LEU C C 27 179.116 179.116 177.443 1.673 19703 3541 1 7 . 1 1 27 27 LEU CA C 27 58.435 58.435 56.688 1.747 19703 3542 1 7 . 1 1 27 27 LEU CB C 27 41.586 41.586 41.377 0.209 19703 3543 1 7 . 1 1 27 27 LEU H H 27 7.869 7.869 7.292 0.577 19703 3544 1 7 . 1 1 28 28 ALA N N 28 120.875 120.875 120.849 0.026 19703 3545 1 7 . 1 1 28 28 ALA HA H 28 3.278 3.278 3.785 -0.507 19703 3546 1 7 . 1 1 28 28 ALA C C 28 179.545 179.545 179.524 0.021 19703 3547 1 7 . 1 1 28 28 ALA CA C 28 54.696 54.696 54.681 0.015 19703 3548 1 7 . 1 1 28 28 ALA CB C 28 18.423 18.423 17.886 0.537 19703 3549 1 7 . 1 1 28 28 ALA H H 28 8.002 8.002 7.573 0.429 19703 3550 1 7 . 1 1 29 29 HIS N N 29 117.818 117.818 116.473 1.345 19703 3551 1 7 . 1 1 29 29 HIS HA H 29 4.538 4.538 4.249 0.289 19703 3552 1 7 . 1 1 29 29 HIS C C 29 178.985 178.985 177.590 1.395 19703 3553 1 7 . 1 1 29 29 HIS CA C 29 57.620 57.620 58.315 -0.695 19703 3554 1 7 . 1 1 29 29 HIS CB C 29 28.961 28.961 29.868 -0.907 19703 3555 1 7 . 1 1 29 29 HIS H H 29 8.587 8.587 7.638 0.949 19703 3556 1 7 . 1 1 30 30 ARG N N 30 118.408 118.408 116.725 1.683 19703 3557 1 7 . 1 1 30 30 ARG HA H 30 4.111 4.111 4.201 -0.090 19703 3558 1 7 . 1 1 30 30 ARG C C 30 176.361 176.361 177.073 -0.712 19703 3559 1 7 . 1 1 30 30 ARG CA C 30 58.818 58.818 57.357 1.461 19703 3560 1 7 . 1 1 30 30 ARG CB C 30 30.001 30.001 30.122 -0.121 19703 3561 1 7 . 1 1 30 30 ARG H H 30 8.264 8.264 7.759 0.505 19703 3562 1 7 . 1 1 31 31 ASN N N 31 114.401 114.401 116.045 -1.644 19703 3563 1 7 . 1 1 31 31 ASN HA H 31 4.578 4.578 4.411 0.167 19703 3564 1 7 . 1 1 31 31 ASN C C 31 172.703 172.703 174.887 -2.184 19703 3565 1 7 . 1 1 31 31 ASN CA C 31 53.405 53.405 54.492 -1.087 19703 3566 1 7 . 1 1 31 31 ASN CB C 31 40.339 40.339 39.173 1.166 19703 3567 1 7 . 1 1 31 31 ASN H H 31 6.906 6.906 7.920 -1.014 19703 3568 1 7 . 1 1 32 32 ASN N N 32 114.697 114.697 115.486 -0.789 19703 3569 1 7 . 1 1 32 32 ASN HA H 32 4.232 4.232 4.275 -0.043 19703 3570 1 7 . 1 1 32 32 ASN C C 32 174.118 174.118 173.710 0.408 19703 3571 1 7 . 1 1 32 32 ASN CA C 32 54.845 54.845 54.143 0.702 19703 3572 1 7 . 1 1 32 32 ASN CB C 32 36.966 36.966 36.413 0.553 19703 3573 1 7 . 1 1 32 32 ASN H H 32 7.637 7.637 8.152 -0.515 19703 3574 1 7 . 1 1 33 33 VAL N N 33 119.649 119.649 119.543 0.106 19703 3575 1 7 . 1 1 33 33 VAL HA H 33 3.508 3.508 4.135 -0.627 19703 3576 1 7 . 1 1 33 33 VAL C C 33 176.639 176.639 174.775 1.864 19703 3577 1 7 . 1 1 33 33 VAL CA C 33 62.163 62.163 60.550 1.613 19703 3578 1 7 . 1 1 33 33 VAL CB C 33 31.566 31.566 34.122 -2.556 19703 3579 1 7 . 1 1 33 33 VAL H H 33 8.003 8.003 7.346 0.657 19703 3580 1 7 . 1 1 34 34 ASP N N 34 128.347 128.347 127.113 1.234 19703 3581 1 7 . 1 1 34 34 ASP HA H 34 4.381 4.381 4.745 -0.364 19703 3582 1 7 . 1 1 34 34 ASP C C 34 172.933 172.933 175.889 -2.956 19703 3583 1 7 . 1 1 34 34 ASP CA C 34 54.311 54.311 54.309 0.002 19703 3584 1 7 . 1 1 34 34 ASP CB C 34 39.063 39.063 39.729 -0.666 19703 3585 1 7 . 1 1 34 34 ASP H H 34 8.469 8.469 8.442 0.027 19703 3586 1 7 . 1 1 35 35 LEU N N 35 127.456 127.456 124.623 2.833 19703 3587 1 7 . 1 1 35 35 LEU HA H 35 4.391 4.391 4.561 -0.170 19703 3588 1 7 . 1 1 35 35 LEU C C 35 174.747 174.747 176.474 -1.727 19703 3589 1 7 . 1 1 35 35 LEU CA C 35 54.105 54.105 53.968 0.137 19703 3590 1 7 . 1 1 35 35 LEU H H 35 7.864 7.864 7.876 -0.012 19703 3591 1 7 . 1 1 49 49 HIS HA H 49 4.857 4.857 4.762 0.095 19703 3592 1 7 . 1 1 49 49 HIS C C 49 173.176 173.176 175.538 -2.362 19703 3593 1 7 . 1 1 49 49 HIS CA C 49 55.342 55.342 55.250 0.092 19703 3594 1 7 . 1 1 49 49 HIS CB C 49 29.958 29.958 30.791 -0.833 19703 3595 1 7 . 1 1 50 50 VAL N N 50 119.554 119.554 117.043 2.511 19703 3596 1 7 . 1 1 50 50 VAL HA H 50 4.327 4.327 4.653 -0.326 19703 3597 1 7 . 1 1 50 50 VAL C C 50 172.122 172.122 173.917 -1.795 19703 3598 1 7 . 1 1 50 50 VAL CA C 50 59.245 59.245 60.792 -1.547 19703 3599 1 7 . 1 1 50 50 VAL CB C 50 35.976 35.976 35.124 0.852 19703 3600 1 7 . 1 1 50 50 VAL H H 50 9.210 9.210 8.167 1.043 19703 3601 1 7 . 1 1 51 51 ILE N N 51 121.739 121.739 124.575 -2.836 19703 3602 1 7 . 1 1 51 51 ILE HA H 51 4.021 4.021 4.489 -0.468 19703 3603 1 7 . 1 1 51 51 ILE C C 51 175.868 175.868 174.107 1.761 19703 3604 1 7 . 1 1 51 51 ILE CA C 51 61.108 61.108 60.504 0.604 19703 3605 1 7 . 1 1 51 51 ILE CB C 51 39.340 39.340 38.955 0.385 19703 3606 1 7 . 1 1 51 51 ILE H H 51 8.279 8.279 8.364 -0.085 19703 3607 1 7 . 1 1 52 52 ILE N N 52 126.048 126.048 123.740 2.308 19703 3608 1 7 . 1 1 52 52 ILE HA H 52 4.027 4.027 4.559 -0.532 19703 3609 1 7 . 1 1 52 52 ILE C C 52 176.343 176.343 174.702 1.641 19703 3610 1 7 . 1 1 52 52 ILE CA C 52 58.856 58.856 58.320 0.536 19703 3611 1 7 . 1 1 52 52 ILE CB C 52 35.576 35.576 40.878 -5.302 19703 3612 1 7 . 1 1 52 52 ILE H H 52 8.454 8.454 7.930 0.524 19703 3613 1 7 . 1 1 53 53 ASP N N 53 127.679 127.679 118.117 9.562 19703 3614 1 7 . 1 1 53 53 ASP C C 53 176.811 176.811 176.663 0.148 19703 3615 1 7 . 1 1 53 53 ASP CA C 53 54.125 54.125 52.947 1.178 19703 3616 1 7 . 1 1 53 53 ASP CB C 53 44.609 44.609 40.107 4.502 19703 3617 1 7 . 1 1 53 53 ASP H H 53 7.698 7.698 8.289 -0.591 19703 3618 1 7 . 1 1 54 54 PRO HA H 54 4.188 4.188 4.321 -0.133 19703 3619 1 7 . 1 1 54 54 PRO C C 54 178.175 178.175 178.111 0.064 19703 3620 1 7 . 1 1 54 54 PRO CA C 54 66.346 66.346 64.962 1.384 19703 3621 1 7 . 1 1 54 54 PRO CB C 54 32.210 32.210 32.063 0.147 19703 3622 1 7 . 1 1 55 55 SER N N 55 113.470 113.470 114.584 -1.114 19703 3623 1 7 . 1 1 55 55 SER HA H 55 4.282 4.282 4.465 -0.183 19703 3624 1 7 . 1 1 55 55 SER C C 55 174.884 174.884 175.582 -0.698 19703 3625 1 7 . 1 1 55 55 SER CA C 55 61.090 61.090 60.893 0.197 19703 3626 1 7 . 1 1 55 55 SER CB C 55 62.971 62.971 62.929 0.042 19703 3627 1 7 . 1 1 55 55 SER H H 55 8.853 8.853 8.427 0.426 19703 3628 1 7 . 1 1 56 56 TRP N N 56 120.568 120.568 120.031 0.537 19703 3629 1 7 . 1 1 56 56 TRP HA H 56 4.467 4.467 4.821 -0.354 19703 3630 1 7 . 1 1 56 56 TRP C C 56 176.386 176.386 177.062 -0.676 19703 3631 1 7 . 1 1 56 56 TRP CA C 56 58.465 58.465 57.283 1.182 19703 3632 1 7 . 1 1 56 56 TRP CB C 56 33.371 33.371 29.589 3.782 19703 3633 1 7 . 1 1 56 56 TRP H H 56 8.656 8.656 7.755 0.901 19703 3634 1 7 . 1 1 57 57 TYR N N 57 121.686 121.686 122.484 -0.798 19703 3635 1 7 . 1 1 57 57 TYR HA H 57 3.716 3.716 3.996 -0.280 19703 3636 1 7 . 1 1 57 57 TYR C C 57 176.621 176.621 177.158 -0.537 19703 3637 1 7 . 1 1 57 57 TYR CA C 57 64.137 64.137 62.591 1.546 19703 3638 1 7 . 1 1 57 57 TYR CB C 57 38.967 38.967 38.389 0.578 19703 3639 1 7 . 1 1 57 57 TYR H H 57 7.329 7.329 8.013 -0.684 19703 3640 1 7 . 1 1 58 58 ASP N N 58 119.983 119.983 118.034 1.949 19703 3641 1 7 . 1 1 58 58 ASP HA H 58 4.390 4.390 4.376 0.014 19703 3642 1 7 . 1 1 58 58 ASP C C 58 178.509 178.509 178.232 0.277 19703 3643 1 7 . 1 1 58 58 ASP CA C 58 57.914 57.914 56.533 1.381 19703 3644 1 7 . 1 1 58 58 ASP CB C 58 39.741 39.741 40.538 -0.797 19703 3645 1 7 . 1 1 58 58 ASP H H 58 9.033 9.033 8.381 0.652 19703 3646 1 7 . 1 1 59 59 ILE N N 59 122.534 122.534 119.840 2.694 19703 3647 1 7 . 1 1 59 59 ILE HA H 59 3.809 3.809 3.844 -0.035 19703 3648 1 7 . 1 1 59 59 ILE C C 59 178.418 178.418 177.854 0.564 19703 3649 1 7 . 1 1 59 59 ILE CA C 59 64.650 64.650 64.513 0.137 19703 3650 1 7 . 1 1 59 59 ILE CB C 59 38.514 38.514 38.366 0.148 19703 3651 1 7 . 1 1 59 59 ILE H H 59 7.894 7.894 7.519 0.375 19703 3652 1 7 . 1 1 60 60 VAL N N 60 118.811 118.811 118.146 0.665 19703 3653 1 7 . 1 1 60 60 VAL HA H 60 3.459 3.459 3.890 -0.431 19703 3654 1 7 . 1 1 60 60 VAL C C 60 178.294 178.294 177.841 0.453 19703 3655 1 7 . 1 1 60 60 VAL CA C 60 67.819 67.819 64.709 3.110 19703 3656 1 7 . 1 1 60 60 VAL CB C 60 31.268 31.268 30.743 0.525 19703 3657 1 7 . 1 1 60 60 VAL H H 60 8.265 8.265 8.559 -0.294 19703 3658 1 7 . 1 1 61 61 GLU N N 61 121.332 121.332 118.995 2.337 19703 3659 1 7 . 1 1 61 61 GLU HA H 61 3.625 3.625 3.870 -0.245 19703 3660 1 7 . 1 1 61 61 GLU C C 61 177.407 177.407 177.407 0.000 19703 3661 1 7 . 1 1 61 61 GLU CA C 61 59.055 59.055 58.979 0.076 19703 3662 1 7 . 1 1 61 61 GLU CB C 61 28.425 28.425 29.567 -1.142 19703 3663 1 7 . 1 1 61 61 GLU H H 61 8.036 8.036 8.086 -0.050 19703 3664 1 7 . 1 1 62 62 GLN N N 62 117.653 117.653 115.540 2.113 19703 3665 1 7 . 1 1 62 62 GLN HA H 62 3.734 3.734 4.165 -0.431 19703 3666 1 7 . 1 1 62 62 GLN C C 62 177.586 177.586 177.309 0.277 19703 3667 1 7 . 1 1 62 62 GLN CA C 62 58.476 58.476 57.711 0.765 19703 3668 1 7 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.747 -0.647 19703 3669 1 7 . 1 1 62 62 GLN H H 62 7.912 7.912 7.279 0.633 19703 3670 1 7 . 1 1 63 63 HIS N N 63 113.347 113.347 119.431 -6.084 19703 3671 1 7 . 1 1 63 63 HIS HA H 63 4.438 4.438 4.447 -0.009 19703 3672 1 7 . 1 1 63 63 HIS C C 63 177.626 177.626 174.754 2.872 19703 3673 1 7 . 1 1 63 63 HIS CA C 63 56.824 56.824 57.381 -0.557 19703 3674 1 7 . 1 1 63 63 HIS CB C 63 31.805 31.805 30.713 1.092 19703 3675 1 7 . 1 1 63 63 HIS H H 63 6.929 6.929 8.315 -1.386 19703 3676 1 7 . 1 1 64 64 ASN N N 64 121.506 121.506 117.491 4.015 19703 3677 1 7 . 1 1 64 64 ASN HA H 64 5.081 5.081 4.684 0.397 19703 3678 1 7 . 1 1 64 64 ASN C C 64 172.577 172.577 173.513 -0.936 19703 3679 1 7 . 1 1 64 64 ASN CA C 64 52.317 52.317 52.404 -0.087 19703 3680 1 7 . 1 1 64 64 ASN CB C 64 40.113 40.113 40.673 -0.560 19703 3681 1 7 . 1 1 64 64 ASN H H 64 7.875 7.875 7.645 0.230 19703 3682 1 7 . 1 1 65 65 GLU N N 65 126.101 126.101 123.068 3.033 19703 3683 1 7 . 1 1 65 65 GLU HA H 65 4.132 4.132 4.370 -0.238 19703 3684 1 7 . 1 1 65 65 GLU C C 65 176.297 176.297 175.970 0.327 19703 3685 1 7 . 1 1 65 65 GLU CA C 65 57.575 57.575 55.879 1.696 19703 3686 1 7 . 1 1 65 65 GLU CB C 65 30.195 30.195 30.771 -0.576 19703 3687 1 7 . 1 1 65 65 GLU H H 65 8.791 8.791 8.481 0.310 19703 3688 1 7 . 1 1 66 66 ILE N N 66 125.274 125.274 118.397 6.877 19703 3689 1 7 . 1 1 66 66 ILE HA H 66 3.995 3.995 4.385 -0.390 19703 3690 1 7 . 1 1 66 66 ILE C C 66 176.257 176.257 175.419 0.838 19703 3691 1 7 . 1 1 66 66 ILE CA C 66 62.046 62.046 60.157 1.889 19703 3692 1 7 . 1 1 66 66 ILE CB C 66 37.899 37.899 39.585 -1.686 19703 3693 1 7 . 1 1 66 66 ILE H H 66 8.973 8.973 8.037 0.936 19703 3694 1 7 . 1 1 67 67 SER N N 67 125.487 125.487 120.936 4.551 19703 3695 1 7 . 1 1 67 67 SER HA H 67 4.439 4.439 4.605 -0.166 19703 3696 1 7 . 1 1 67 67 SER C C 67 174.736 174.736 175.158 -0.422 19703 3697 1 7 . 1 1 67 67 SER CA C 67 58.127 58.127 57.510 0.618 19703 3698 1 7 . 1 1 67 67 SER CB C 67 66.057 66.057 64.644 1.413 19703 3699 1 7 . 1 1 67 67 SER H H 67 8.585 8.585 8.484 0.101 19703 3700 1 7 . 1 1 68 68 ASP N N 68 122.043 122.043 121.655 0.388 19703 3701 1 7 . 1 1 68 68 ASP HA H 68 4.309 4.309 4.385 -0.076 19703 3702 1 7 . 1 1 68 68 ASP C C 68 178.298 178.298 178.037 0.261 19703 3703 1 7 . 1 1 68 68 ASP CA C 68 57.596 57.596 57.684 -0.088 19703 3704 1 7 . 1 1 68 68 ASP CB C 68 40.548 40.548 40.563 -0.015 19703 3705 1 7 . 1 1 68 68 ASP H H 68 8.929 8.929 8.840 0.089 19703 3706 1 7 . 1 1 69 69 GLU N N 69 118.225 118.225 119.027 -0.802 19703 3707 1 7 . 1 1 69 69 GLU HA H 69 3.960 3.960 4.178 -0.218 19703 3708 1 7 . 1 1 69 69 GLU C C 69 178.938 178.938 178.467 0.471 19703 3709 1 7 . 1 1 69 69 GLU CA C 69 60.728 60.728 58.622 2.106 19703 3710 1 7 . 1 1 69 69 GLU CB C 69 29.492 29.492 29.313 0.179 19703 3711 1 7 . 1 1 69 69 GLU H H 69 8.852 8.852 8.320 0.532 19703 3712 1 7 . 1 1 70 70 GLU N N 70 121.051 121.051 120.842 0.209 19703 3713 1 7 . 1 1 70 70 GLU HA H 70 3.820 3.820 4.068 -0.248 19703 3714 1 7 . 1 1 70 70 GLU C C 70 177.857 177.857 178.825 -0.968 19703 3715 1 7 . 1 1 70 70 GLU CA C 70 59.443 59.443 59.189 0.254 19703 3716 1 7 . 1 1 70 70 GLU CB C 70 28.344 28.344 29.315 -0.971 19703 3717 1 7 . 1 1 70 70 GLU H H 70 7.923 7.923 8.249 -0.326 19703 3718 1 7 . 1 1 71 71 ASN N N 71 118.461 118.461 116.107 2.354 19703 3719 1 7 . 1 1 71 71 ASN HA H 71 4.360 4.360 4.438 -0.078 19703 3720 1 7 . 1 1 71 71 ASN C C 71 177.621 177.621 177.679 -0.058 19703 3721 1 7 . 1 1 71 71 ASN CA C 71 56.919 56.919 55.784 1.135 19703 3722 1 7 . 1 1 71 71 ASN CB C 71 38.688 38.688 38.591 0.097 19703 3723 1 7 . 1 1 71 71 ASN H H 71 7.988 7.988 8.318 -0.330 19703 3724 1 7 . 1 1 72 72 ASP N N 72 118.807 118.807 118.245 0.562 19703 3725 1 7 . 1 1 72 72 ASP HA H 72 4.249 4.249 4.512 -0.263 19703 3726 1 7 . 1 1 72 72 ASP C C 72 178.772 178.772 177.692 1.080 19703 3727 1 7 . 1 1 72 72 ASP CA C 72 57.507 57.507 56.340 1.167 19703 3728 1 7 . 1 1 72 72 ASP CB C 72 40.932 40.932 41.039 -0.107 19703 3729 1 7 . 1 1 72 72 ASP H H 72 8.129 8.129 7.628 0.501 19703 3730 1 7 . 1 1 73 73 MET N N 73 117.610 117.610 119.032 -1.422 19703 3731 1 7 . 1 1 73 73 MET HA H 73 4.415 4.415 4.218 0.197 19703 3732 1 7 . 1 1 73 73 MET C C 73 180.694 180.694 178.199 2.495 19703 3733 1 7 . 1 1 73 73 MET CA C 73 56.144 56.144 58.070 -1.926 19703 3734 1 7 . 1 1 73 73 MET CB C 73 34.126 34.126 32.607 1.519 19703 3735 1 7 . 1 1 73 73 MET H H 73 7.523 7.523 7.690 -0.167 19703 3736 1 7 . 1 1 74 74 LEU N N 74 123.258 123.258 116.717 6.541 19703 3737 1 7 . 1 1 74 74 LEU HA H 74 3.768 3.768 4.270 -0.502 19703 3738 1 7 . 1 1 74 74 LEU C C 74 178.471 178.471 178.165 0.306 19703 3739 1 7 . 1 1 74 74 LEU CA C 74 57.865 57.865 58.087 -0.223 19703 3740 1 7 . 1 1 74 74 LEU CB C 74 41.013 41.013 41.111 -0.098 19703 3741 1 7 . 1 1 74 74 LEU H H 74 8.850 8.850 7.699 1.151 19703 3742 1 7 . 1 1 75 75 ASP N N 75 115.491 115.491 120.199 -4.708 19703 3743 1 7 . 1 1 75 75 ASP HA H 75 4.320 4.320 4.493 -0.173 19703 3744 1 7 . 1 1 75 75 ASP C C 75 177.521 177.521 176.877 0.644 19703 3745 1 7 . 1 1 75 75 ASP CA C 75 57.000 57.000 56.664 0.336 19703 3746 1 7 . 1 1 75 75 ASP CB C 75 41.163 41.163 40.684 0.479 19703 3747 1 7 . 1 1 75 75 ASP H H 75 7.439 7.439 7.813 -0.374 19703 3748 1 7 . 1 1 76 76 LEU N N 76 116.660 116.660 118.621 -1.961 19703 3749 1 7 . 1 1 76 76 LEU HA H 76 4.280 4.280 4.511 -0.231 19703 3750 1 7 . 1 1 76 76 LEU C C 76 177.224 177.224 176.087 1.137 19703 3751 1 7 . 1 1 76 76 LEU CA C 76 54.067 54.067 54.027 0.040 19703 3752 1 7 . 1 1 76 76 LEU CB C 76 42.211 42.211 42.670 -0.459 19703 3753 1 7 . 1 1 76 76 LEU H H 76 7.039 7.039 7.364 -0.325 19703 3754 1 7 . 1 1 77 77 ALA N N 77 123.914 123.914 123.299 0.615 19703 3755 1 7 . 1 1 77 77 ALA HA H 77 4.074 4.074 4.337 -0.263 19703 3756 1 7 . 1 1 77 77 ALA C C 77 177.216 177.216 176.363 0.853 19703 3757 1 7 . 1 1 77 77 ALA CA C 77 52.304 52.304 52.244 0.060 19703 3758 1 7 . 1 1 77 77 ALA CB C 77 18.204 18.204 18.066 0.138 19703 3759 1 7 . 1 1 77 77 ALA H H 77 7.736 7.736 7.542 0.194 19703 3760 1 7 . 1 1 78 78 PHE N N 78 122.688 122.688 124.660 -1.972 19703 3761 1 7 . 1 1 78 78 PHE HA H 78 4.415 4.415 4.631 -0.216 19703 3762 1 7 . 1 1 78 78 PHE C C 78 176.460 176.460 176.656 -0.196 19703 3763 1 7 . 1 1 78 78 PHE CA C 78 57.752 57.752 57.775 -0.023 19703 3764 1 7 . 1 1 78 78 PHE CB C 78 39.221 39.221 40.962 -1.741 19703 3765 1 7 . 1 1 78 78 PHE H H 78 8.310 8.310 7.990 0.320 19703 3766 1 7 . 1 1 79 79 GLY N N 79 112.822 112.822 113.776 -0.954 19703 3767 1 7 . 1 1 79 79 GLY C C 79 174.510 174.510 173.458 1.052 19703 3768 1 7 . 1 1 79 79 GLY CA C 79 46.279 46.279 44.620 1.659 19703 3769 1 7 . 1 1 79 79 GLY H H 79 8.383 8.383 8.172 0.211 19703 3770 1 7 . 1 1 80 80 LEU N N 80 118.988 118.988 122.584 -3.596 19703 3771 1 7 . 1 1 80 80 LEU HA H 80 3.754 3.754 4.462 -0.708 19703 3772 1 7 . 1 1 80 80 LEU C C 80 176.528 176.528 177.103 -0.575 19703 3773 1 7 . 1 1 80 80 LEU CA C 80 56.497 56.497 54.944 1.553 19703 3774 1 7 . 1 1 80 80 LEU CB C 80 42.808 42.808 43.125 -0.317 19703 3775 1 7 . 1 1 80 80 LEU H H 80 6.978 6.978 7.598 -0.620 19703 3776 1 7 . 1 1 81 81 THR N N 81 118.057 118.057 111.740 6.317 19703 3777 1 7 . 1 1 81 81 THR HA H 81 4.857 4.857 4.391 0.466 19703 3778 1 7 . 1 1 81 81 THR C C 81 175.739 175.739 174.267 1.472 19703 3779 1 7 . 1 1 81 81 THR CA C 81 60.194 60.194 60.940 -0.746 19703 3780 1 7 . 1 1 81 81 THR CB C 81 73.868 73.868 70.126 3.741 19703 3781 1 7 . 1 1 81 81 THR H H 81 9.176 9.176 8.059 1.117 19703 3782 1 7 . 1 1 82 82 ASP N N 82 118.080 118.080 117.766 0.314 19703 3783 1 7 . 1 1 82 82 ASP HA H 82 4.379 4.379 4.437 -0.058 19703 3784 1 7 . 1 1 82 82 ASP C C 82 176.700 176.700 176.684 0.016 19703 3785 1 7 . 1 1 82 82 ASP CA C 82 55.835 55.835 55.273 0.562 19703 3786 1 7 . 1 1 82 82 ASP CB C 82 40.675 40.675 40.783 -0.108 19703 3787 1 7 . 1 1 82 82 ASP H H 82 8.679 8.679 8.556 0.123 19703 3788 1 7 . 1 1 83 83 THR N N 83 107.059 107.059 108.466 -1.407 19703 3789 1 7 . 1 1 83 83 THR HA H 83 4.253 4.253 4.198 0.055 19703 3790 1 7 . 1 1 83 83 THR C C 83 174.494 174.494 174.308 0.186 19703 3791 1 7 . 1 1 83 83 THR CA C 83 59.749 59.749 63.251 -3.502 19703 3792 1 7 . 1 1 83 83 THR CB C 83 66.801 66.801 69.330 -2.529 19703 3793 1 7 . 1 1 83 83 THR H H 83 7.893 7.893 7.547 0.346 19703 3794 1 7 . 1 1 84 84 SER N N 84 121.526 121.526 118.040 3.486 19703 3795 1 7 . 1 1 84 84 SER HA H 84 5.080 5.080 4.534 0.546 19703 3796 1 7 . 1 1 84 84 SER C C 84 173.561 173.561 174.696 -1.135 19703 3797 1 7 . 1 1 84 84 SER CA C 84 61.844 61.844 58.209 3.635 19703 3798 1 7 . 1 1 84 84 SER CB C 84 64.933 64.933 63.592 1.341 19703 3799 1 7 . 1 1 84 84 SER H H 84 6.993 6.993 7.427 -0.434 19703 3800 1 7 . 1 1 85 85 ARG N N 85 118.632 118.632 128.554 -9.922 19703 3801 1 7 . 1 1 85 85 ARG HA H 85 4.809 4.809 4.756 0.053 19703 3802 1 7 . 1 1 85 85 ARG C C 85 175.213 175.213 175.582 -0.369 19703 3803 1 7 . 1 1 85 85 ARG CA C 85 52.209 52.209 55.040 -2.831 19703 3804 1 7 . 1 1 85 85 ARG CB C 85 35.685 35.685 32.589 3.096 19703 3805 1 7 . 1 1 85 85 ARG H H 85 9.358 9.358 8.074 1.284 19703 3806 1 7 . 1 1 86 86 LEU N N 86 120.203 120.203 120.989 -0.786 19703 3807 1 7 . 1 1 86 86 LEU H H 86 9.122 9.122 8.906 0.216 19703 3808 1 7 . 1 1 89 89 GLN HA H 89 4.188 4.188 4.493 -0.305 19703 3809 1 7 . 1 1 89 89 GLN C C 89 173.992 173.992 174.621 -0.629 19703 3810 1 7 . 1 1 89 89 GLN CA C 89 53.850 53.850 54.522 -0.672 19703 3811 1 7 . 1 1 89 89 GLN CB C 89 29.721 29.721 30.215 -0.494 19703 3812 1 7 . 1 1 90 90 ILE N N 90 117.060 117.060 118.279 -1.219 19703 3813 1 7 . 1 1 90 90 ILE HA H 90 3.787 3.787 3.776 0.011 19703 3814 1 7 . 1 1 90 90 ILE C C 90 173.762 173.762 174.523 -0.761 19703 3815 1 7 . 1 1 90 90 ILE CA C 90 58.765 58.765 61.855 -3.090 19703 3816 1 7 . 1 1 90 90 ILE CB C 90 37.268 37.268 35.881 1.387 19703 3817 1 7 . 1 1 90 90 ILE H H 90 6.736 6.736 8.213 -1.477 19703 3818 1 7 . 1 1 91 91 ILE N N 91 128.173 128.173 119.841 8.332 19703 3819 1 7 . 1 1 91 91 ILE HA H 91 3.895 3.895 4.616 -0.721 19703 3820 1 7 . 1 1 91 91 ILE C C 91 175.955 175.955 175.499 0.456 19703 3821 1 7 . 1 1 91 91 ILE CA C 91 60.160 60.160 59.021 1.139 19703 3822 1 7 . 1 1 91 91 ILE CB C 91 37.104 37.104 39.152 -2.048 19703 3823 1 7 . 1 1 91 91 ILE H H 91 8.157 8.157 7.986 0.171 19703 3824 1 7 . 1 1 92 92 LEU N N 92 127.403 127.403 127.954 -0.551 19703 3825 1 7 . 1 1 92 92 LEU HA H 92 4.105 4.105 4.332 -0.227 19703 3826 1 7 . 1 1 92 92 LEU C C 92 174.391 174.391 176.695 -2.304 19703 3827 1 7 . 1 1 92 92 LEU CA C 92 54.805 54.805 56.031 -1.226 19703 3828 1 7 . 1 1 92 92 LEU CB C 92 40.594 40.594 42.556 -1.962 19703 3829 1 7 . 1 1 92 92 LEU H H 92 8.979 8.979 8.867 0.112 19703 3830 1 7 . 1 1 93 93 THR N N 93 110.385 110.385 109.687 0.698 19703 3831 1 7 . 1 1 93 93 THR HA H 93 4.760 4.760 4.976 -0.216 19703 3832 1 7 . 1 1 93 93 THR C C 93 176.119 176.119 174.882 1.237 19703 3833 1 7 . 1 1 93 93 THR CA C 93 59.059 59.059 59.668 -0.609 19703 3834 1 7 . 1 1 93 93 THR CB C 93 72.517 72.517 70.829 1.688 19703 3835 1 7 . 1 1 93 93 THR H H 93 6.270 6.270 8.187 -1.917 19703 3836 1 7 . 1 1 94 94 LYS N N 94 120.484 120.484 122.985 -2.501 19703 3837 1 7 . 1 1 94 94 LYS HA H 94 3.684 3.684 4.089 -0.405 19703 3838 1 7 . 1 1 94 94 LYS C C 94 177.634 177.634 178.002 -0.368 19703 3839 1 7 . 1 1 94 94 LYS CA C 94 59.586 59.586 58.788 0.798 19703 3840 1 7 . 1 1 94 94 LYS CB C 94 31.690 31.690 32.124 -0.434 19703 3841 1 7 . 1 1 94 94 LYS H H 94 9.071 9.071 8.889 0.182 19703 3842 1 7 . 1 1 95 95 GLU N N 95 118.365 118.365 119.899 -1.534 19703 3843 1 7 . 1 1 95 95 GLU HA H 95 3.960 3.960 4.156 -0.196 19703 3844 1 7 . 1 1 95 95 GLU C C 95 176.639 176.639 177.828 -1.189 19703 3845 1 7 . 1 1 95 95 GLU CA C 95 59.480 59.480 58.510 0.970 19703 3846 1 7 . 1 1 95 95 GLU CB C 95 28.224 28.224 29.209 -0.985 19703 3847 1 7 . 1 1 95 95 GLU H H 95 8.422 8.422 7.981 0.441 19703 3848 1 7 . 1 1 96 96 LEU N N 96 116.407 116.407 119.465 -3.058 19703 3849 1 7 . 1 1 96 96 LEU HA H 96 4.453 4.453 4.433 0.020 19703 3850 1 7 . 1 1 96 96 LEU C C 96 174.106 174.106 176.149 -2.043 19703 3851 1 7 . 1 1 96 96 LEU CA C 96 53.499 53.499 54.083 -0.584 19703 3852 1 7 . 1 1 96 96 LEU CB C 96 40.899 40.899 41.394 -0.495 19703 3853 1 7 . 1 1 96 96 LEU H H 96 7.727 7.727 7.498 0.229 19703 3854 1 7 . 1 1 97 97 ASP N N 97 116.722 116.722 120.455 -3.733 19703 3855 1 7 . 1 1 97 97 ASP HA H 97 4.012 4.012 4.317 -0.305 19703 3856 1 7 . 1 1 97 97 ASP C C 97 175.803 175.803 177.870 -2.067 19703 3857 1 7 . 1 1 97 97 ASP CA C 97 56.511 56.511 54.837 1.674 19703 3858 1 7 . 1 1 97 97 ASP CB C 97 41.691 41.691 40.120 1.571 19703 3859 1 7 . 1 1 97 97 ASP H H 97 7.046 7.046 7.944 -0.898 19703 3860 1 7 . 1 1 98 98 GLY N N 98 117.545 117.545 112.588 4.957 19703 3861 1 7 . 1 1 98 98 GLY C C 98 173.481 173.481 173.437 0.044 19703 3862 1 7 . 1 1 98 98 GLY CA C 98 44.602 44.602 45.320 -0.718 19703 3863 1 7 . 1 1 98 98 GLY H H 98 8.957 8.957 8.482 0.475 19703 3864 1 7 . 1 1 99 99 LEU N N 99 122.555 122.555 120.289 2.266 19703 3865 1 7 . 1 1 99 99 LEU C C 99 173.036 173.036 175.790 -2.754 19703 3866 1 7 . 1 1 99 99 LEU CA C 99 55.737 55.737 53.470 2.267 19703 3867 1 7 . 1 1 99 99 LEU CB C 99 42.087 42.087 44.606 -2.519 19703 3868 1 7 . 1 1 99 99 LEU H H 99 7.239 7.239 7.976 -0.737 19703 3869 1 7 . 1 1 100 100 CYS N N 100 121.421 121.421 122.082 -0.661 19703 3870 1 7 . 1 1 100 100 CYS HA H 100 5.219 5.219 5.012 0.207 19703 3871 1 7 . 1 1 100 100 CYS C C 100 172.184 172.184 174.157 -1.973 19703 3872 1 7 . 1 1 100 100 CYS CA C 100 54.042 54.042 58.056 -4.013 19703 3873 1 7 . 1 1 100 100 CYS CB C 100 45.330 45.330 28.600 16.730 19703 3874 1 7 . 1 1 100 100 CYS H H 100 5.355 5.355 8.453 -3.098 19703 3875 1 7 . 1 1 101 101 VAL N N 101 121.510 121.510 119.129 2.381 19703 3876 1 7 . 1 1 101 101 VAL HA H 101 4.435 4.435 4.528 -0.093 19703 3877 1 7 . 1 1 101 101 VAL C C 101 172.314 172.314 173.808 -1.494 19703 3878 1 7 . 1 1 101 101 VAL CA C 101 59.936 59.936 58.838 1.098 19703 3879 1 7 . 1 1 101 101 VAL CB C 101 34.396 34.396 34.348 0.048 19703 3880 1 7 . 1 1 101 101 VAL H H 101 8.691 8.691 8.822 -0.131 19703 3881 1 7 . 1 1 102 102 ILE N N 102 126.427 126.427 119.749 6.678 19703 3882 1 7 . 1 1 102 102 ILE HA H 102 4.505 4.505 3.900 0.605 19703 3883 1 7 . 1 1 102 102 ILE C C 102 175.584 175.584 176.344 -0.760 19703 3884 1 7 . 1 1 102 102 ILE CA C 102 60.603 60.603 59.080 1.523 19703 3885 1 7 . 1 1 102 102 ILE CB C 102 40.383 40.383 37.616 2.767 19703 3886 1 7 . 1 1 102 102 ILE H H 102 9.582 9.582 7.900 1.682 19703 3887 1 7 . 1 1 103 103 LEU N N 103 127.589 127.589 123.739 3.850 19703 3888 1 7 . 1 1 103 103 LEU HA H 103 4.665 4.665 3.644 1.021 19703 3889 1 7 . 1 1 103 103 LEU C C 103 174.725 174.725 176.100 -1.375 19703 3890 1 7 . 1 1 103 103 LEU CA C 103 52.048 52.048 53.588 -1.540 19703 3891 1 7 . 1 1 103 103 LEU CB C 103 40.970 40.970 40.904 0.066 19703 3892 1 7 . 1 1 103 103 LEU H H 103 8.321 8.321 7.877 0.444 19703 3893 1 7 . 1 1 104 104 PRO HA H 104 4.306 4.306 4.303 0.003 19703 3894 1 7 . 1 1 104 104 PRO C C 104 176.389 176.389 176.538 -0.149 19703 3895 1 7 . 1 1 104 104 PRO CA C 104 62.963 62.963 64.519 -1.556 19703 3896 1 7 . 1 1 104 104 PRO CB C 104 32.265 32.265 32.128 0.137 19703 3897 1 7 . 1 1 105 105 THR N N 105 113.257 113.257 110.837 2.420 19703 3898 1 7 . 1 1 105 105 THR HA H 105 4.139 4.139 4.398 -0.259 19703 3899 1 7 . 1 1 105 105 THR C C 105 174.080 174.080 172.710 1.370 19703 3900 1 7 . 1 1 105 105 THR CA C 105 62.593 62.593 60.266 2.327 19703 3901 1 7 . 1 1 105 105 THR CB C 105 69.871 69.871 70.613 -0.742 19703 3902 1 7 . 1 1 105 105 THR H H 105 8.108 8.108 7.307 0.801 19703 3903 1 7 . 1 1 106 106 GLU N N 106 122.035 122.035 123.818 -1.783 19703 3904 1 7 . 1 1 106 106 GLU HA H 106 4.352 4.352 4.213 0.139 19703 3905 1 7 . 1 1 106 106 GLU C C 106 176.012 176.012 175.814 0.198 19703 3906 1 7 . 1 1 106 106 GLU CA C 106 56.393 56.393 57.613 -1.220 19703 3907 1 7 . 1 1 106 106 GLU CB C 106 31.113 31.113 29.804 1.309 19703 3908 1 7 . 1 1 106 106 GLU H H 106 8.291 8.291 8.522 -0.231 19703 3909 1 7 . 1 1 107 107 THR N N 107 115.185 115.185 120.065 -4.880 19703 3910 1 7 . 1 1 107 107 THR HA H 107 4.240 4.240 4.486 -0.246 19703 3911 1 7 . 1 1 107 107 THR C C 107 174.345 174.345 173.017 1.328 19703 3912 1 7 . 1 1 107 107 THR CA C 107 61.839 61.839 61.524 0.315 19703 3913 1 7 . 1 1 107 107 THR CB C 107 70.027 70.027 69.799 0.228 19703 3914 1 7 . 1 1 107 107 THR H H 107 8.308 8.308 8.203 0.105 19703 3915 1 7 . 1 1 108 108 ARG N N 108 122.789 122.789 123.644 -0.855 19703 3916 1 7 . 1 1 108 108 ARG HA H 108 4.133 4.133 4.685 -0.552 19703 3917 1 7 . 1 1 108 108 ARG C C 108 175.543 175.543 174.886 0.657 19703 3918 1 7 . 1 1 108 108 ARG CA C 108 56.088 56.088 55.739 0.350 19703 3919 1 7 . 1 1 108 108 ARG CB C 108 30.906 30.906 32.571 -1.665 19703 3920 1 7 . 1 1 108 108 ARG H H 108 8.289 8.289 8.098 0.191 19703 3921 1 7 . 1 1 109 109 ASN N N 109 120.177 120.177 118.633 1.544 19703 3922 1 7 . 1 1 109 109 ASN HA H 109 4.579 4.579 4.741 -0.162 19703 3923 1 7 . 1 1 109 109 ASN C C 109 175.106 175.106 175.021 0.085 19703 3924 1 7 . 1 1 109 109 ASN CA C 109 53.134 53.134 52.773 0.361 19703 3925 1 7 . 1 1 109 109 ASN CB C 109 38.735 38.735 39.826 -1.091 19703 3926 1 7 . 1 1 109 109 ASN H H 109 8.365 8.365 8.471 -0.106 19703 3927 1 7 . 1 1 110 110 ILE N N 110 120.936 120.936 120.397 0.539 19703 3928 1 7 . 1 1 110 110 ILE HA H 110 4.070 4.070 4.033 0.037 19703 3929 1 7 . 1 1 110 110 ILE C C 110 175.914 175.914 174.720 1.194 19703 3930 1 7 . 1 1 110 110 ILE CA C 110 61.340 61.340 61.721 -0.381 19703 3931 1 7 . 1 1 110 110 ILE CB C 110 38.861 38.861 36.229 2.632 19703 3932 1 7 . 1 1 110 110 ILE H H 110 7.983 7.983 8.114 -0.131 19703 3933 1 7 . 1 1 111 111 SER N N 111 118.751 118.751 115.952 2.799 19703 3934 1 7 . 1 1 111 111 SER HA H 111 4.340 4.340 4.591 -0.251 19703 3935 1 7 . 1 1 111 111 SER C C 111 173.977 173.977 172.457 1.520 19703 3936 1 7 . 1 1 111 111 SER CA C 111 58.315 58.315 58.200 0.115 19703 3937 1 7 . 1 1 111 111 SER CB C 111 63.845 63.845 64.060 -0.215 19703 3938 1 7 . 1 1 111 111 SER H H 111 8.176 8.176 7.883 0.293 19703 3939 1 7 . 1 1 112 112 PHE N N 112 122.536 122.536 125.382 -2.846 19703 3940 1 7 . 1 1 112 112 PHE HA H 112 4.555 4.555 4.873 -0.318 19703 3941 1 7 . 1 1 112 112 PHE C C 112 175.282 175.282 175.566 -0.284 19703 3942 1 7 . 1 1 112 112 PHE CA C 112 57.743 57.743 57.903 -0.160 19703 3943 1 7 . 1 1 112 112 PHE CB C 112 39.708 39.708 40.162 -0.454 19703 3944 1 7 . 1 1 112 112 PHE H H 112 8.118 8.118 8.689 -0.571 19703 3945 1 7 . 1 1 113 113 VAL N N 113 122.561 122.561 118.552 4.009 19703 3946 1 7 . 1 1 113 113 VAL HA H 113 3.922 3.922 4.132 -0.210 19703 3947 1 7 . 1 1 113 113 VAL C C 113 175.447 175.447 176.354 -0.907 19703 3948 1 7 . 1 1 113 113 VAL CA C 113 62.237 62.237 63.369 -1.132 19703 3949 1 7 . 1 1 113 113 VAL CB C 113 32.899 32.899 32.770 0.129 19703 3950 1 7 . 1 1 113 113 VAL H H 113 7.907 7.907 8.071 -0.164 19703 3951 1 7 . 1 1 114 114 LYS N N 114 125.629 125.629 119.582 6.047 19703 3952 1 7 . 1 1 114 114 LYS HA H 114 4.208 4.208 4.531 -0.323 19703 3953 1 7 . 1 1 114 114 LYS C C 114 176.039 176.039 174.964 1.075 19703 3954 1 7 . 1 1 114 114 LYS CA C 114 56.316 56.316 56.079 0.237 19703 3955 1 7 . 1 1 114 114 LYS CB C 114 33.152 33.152 33.268 -0.116 19703 3956 1 7 . 1 1 114 114 LYS H H 114 8.283 8.283 8.145 0.138 19703 3957 1 7 . 1 1 115 115 ASN N N 115 121.240 121.240 117.899 3.341 19703 3958 1 7 . 1 1 115 115 ASN HA H 115 4.672 4.672 5.147 -0.475 19703 3959 1 7 . 1 1 115 115 ASN C C 115 174.230 174.230 173.975 0.255 19703 3960 1 7 . 1 1 115 115 ASN CA C 115 53.356 53.356 52.505 0.851 19703 3961 1 7 . 1 1 115 115 ASN CB C 115 39.079 39.079 40.779 -1.700 19703 3962 1 7 . 1 1 115 115 ASN H H 115 8.452 8.452 7.786 0.666 19703 3963 1 8 . 1 1 2 2 PRO HA H 2 4.138 4.138 4.504 -0.366 19703 3964 1 8 . 1 1 2 2 PRO C C 2 174.711 174.711 175.038 -0.327 19703 3965 1 8 . 1 1 2 2 PRO CA C 2 61.918 61.918 62.528 -0.610 19703 3966 1 8 . 1 1 2 2 PRO CB C 2 31.604 31.604 33.217 -1.613 19703 3967 1 8 . 1 1 3 3 LEU N N 3 122.430 122.430 119.920 2.510 19703 3968 1 8 . 1 1 3 3 LEU HA H 3 4.840 4.840 4.533 0.307 19703 3969 1 8 . 1 1 3 3 LEU C C 3 176.954 176.954 175.188 1.766 19703 3970 1 8 . 1 1 3 3 LEU CA C 3 53.697 53.697 53.907 -0.210 19703 3971 1 8 . 1 1 3 3 LEU CB C 3 42.404 42.404 44.450 -2.046 19703 3972 1 8 . 1 1 3 3 LEU H H 3 8.745 8.745 8.171 0.574 19703 3973 1 8 . 1 1 4 4 ILE N N 4 125.237 125.237 124.652 0.585 19703 3974 1 8 . 1 1 4 4 ILE HA H 4 4.465 4.465 4.451 0.014 19703 3975 1 8 . 1 1 4 4 ILE C C 4 174.949 174.949 174.978 -0.029 19703 3976 1 8 . 1 1 4 4 ILE CA C 4 57.967 57.967 58.253 -0.286 19703 3977 1 8 . 1 1 4 4 ILE CB C 4 38.795 38.795 40.075 -1.280 19703 3978 1 8 . 1 1 4 4 ILE H H 4 8.824 8.824 7.875 0.949 19703 3979 1 8 . 1 1 5 5 THR N N 5 124.237 124.237 122.892 1.345 19703 3980 1 8 . 1 1 5 5 THR HA H 5 5.133 5.133 4.728 0.405 19703 3981 1 8 . 1 1 5 5 THR C C 5 172.705 172.705 173.766 -1.061 19703 3982 1 8 . 1 1 5 5 THR CA C 5 61.945 61.945 61.973 -0.028 19703 3983 1 8 . 1 1 5 5 THR CB C 5 70.736 70.736 69.326 1.410 19703 3984 1 8 . 1 1 5 5 THR H H 5 8.802 8.802 7.981 0.821 19703 3985 1 8 . 1 1 6 6 PHE N N 6 124.358 124.358 127.024 -2.666 19703 3986 1 8 . 1 1 6 6 PHE HA H 6 5.244 5.244 5.590 -0.346 19703 3987 1 8 . 1 1 6 6 PHE C C 6 176.172 176.172 175.827 0.345 19703 3988 1 8 . 1 1 6 6 PHE CA C 6 56.309 56.309 55.561 0.748 19703 3989 1 8 . 1 1 6 6 PHE CB C 6 42.111 42.111 40.700 1.411 19703 3990 1 8 . 1 1 6 6 PHE H H 6 9.239 9.239 8.315 0.924 19703 3991 1 8 . 1 1 7 7 ILE N N 7 126.251 126.251 122.701 3.550 19703 3992 1 8 . 1 1 7 7 ILE HA H 7 4.847 4.847 4.766 0.081 19703 3993 1 8 . 1 1 7 7 ILE C C 7 176.608 176.608 175.756 0.852 19703 3994 1 8 . 1 1 7 7 ILE CA C 7 60.317 60.317 60.432 -0.115 19703 3995 1 8 . 1 1 7 7 ILE CB C 7 38.252 38.252 40.432 -2.180 19703 3996 1 8 . 1 1 7 7 ILE H H 7 9.509 9.509 8.149 1.360 19703 3997 1 8 . 1 1 8 8 SER N N 8 124.211 124.211 120.354 3.857 19703 3998 1 8 . 1 1 8 8 SER C C 8 174.143 174.143 174.460 -0.317 19703 3999 1 8 . 1 1 8 8 SER CA C 8 59.506 59.506 56.171 3.335 19703 4000 1 8 . 1 1 8 8 SER CB C 8 62.938 62.938 64.352 -1.414 19703 4001 1 8 . 1 1 8 8 SER H H 8 8.880 8.880 8.667 0.213 19703 4002 1 8 . 1 1 9 9 PRO HA H 9 4.326 4.326 4.559 -0.233 19703 4003 1 8 . 1 1 9 9 PRO C C 9 176.530 176.530 176.191 0.339 19703 4004 1 8 . 1 1 9 9 PRO CA C 9 65.685 65.685 64.933 0.752 19703 4005 1 8 . 1 1 9 9 PRO CB C 9 31.920 31.920 31.863 0.057 19703 4006 1 8 . 1 1 10 10 ASP N N 10 113.865 113.865 117.097 -3.232 19703 4007 1 8 . 1 1 10 10 ASP HA H 10 4.413 4.413 4.581 -0.168 19703 4008 1 8 . 1 1 10 10 ASP C C 10 177.083 177.083 176.748 0.335 19703 4009 1 8 . 1 1 10 10 ASP CA C 10 53.302 53.302 54.531 -1.229 19703 4010 1 8 . 1 1 10 10 ASP CB C 10 39.571 39.571 40.618 -1.047 19703 4011 1 8 . 1 1 10 10 ASP H H 10 7.667 7.667 8.448 -0.781 19703 4012 1 8 . 1 1 11 11 GLY N N 11 109.808 109.808 106.723 3.085 19703 4013 1 8 . 1 1 11 11 GLY C C 11 174.638 174.638 174.469 0.169 19703 4014 1 8 . 1 1 11 11 GLY CA C 11 44.844 44.844 44.825 0.019 19703 4015 1 8 . 1 1 11 11 GLY H H 11 8.538 8.538 7.550 0.988 19703 4016 1 8 . 1 1 12 12 SER N N 12 118.381 118.381 115.475 2.906 19703 4017 1 8 . 1 1 12 12 SER HA H 12 4.224 4.224 4.775 -0.551 19703 4018 1 8 . 1 1 12 12 SER C C 12 172.370 172.370 173.293 -0.923 19703 4019 1 8 . 1 1 12 12 SER CA C 12 59.344 59.344 57.632 1.712 19703 4020 1 8 . 1 1 12 12 SER CB C 12 63.909 63.909 64.664 -0.755 19703 4021 1 8 . 1 1 12 12 SER H H 12 8.233 8.233 7.994 0.239 19703 4022 1 8 . 1 1 13 13 ARG N N 13 119.429 119.429 119.419 0.010 19703 4023 1 8 . 1 1 13 13 ARG HA H 13 5.322 5.322 5.434 -0.112 19703 4024 1 8 . 1 1 13 13 ARG C C 13 175.622 175.622 175.262 0.360 19703 4025 1 8 . 1 1 13 13 ARG CA C 13 54.652 54.652 55.046 -0.394 19703 4026 1 8 . 1 1 13 13 ARG CB C 13 33.616 33.616 34.066 -0.450 19703 4027 1 8 . 1 1 13 13 ARG H H 13 8.386 8.386 8.447 -0.061 19703 4028 1 8 . 1 1 14 14 LYS N N 14 122.872 122.872 121.888 0.984 19703 4029 1 8 . 1 1 14 14 LYS HA H 14 4.409 4.409 4.823 -0.414 19703 4030 1 8 . 1 1 14 14 LYS C C 14 173.900 173.900 174.884 -0.984 19703 4031 1 8 . 1 1 14 14 LYS CA C 14 55.236 55.236 54.795 0.441 19703 4032 1 8 . 1 1 14 14 LYS CB C 14 37.200 37.200 36.193 1.007 19703 4033 1 8 . 1 1 14 14 LYS H H 14 8.313 8.313 9.190 -0.877 19703 4034 1 8 . 1 1 15 15 THR N N 15 119.577 119.577 117.230 2.347 19703 4035 1 8 . 1 1 15 15 THR HA H 15 5.021 5.021 4.690 0.331 19703 4036 1 8 . 1 1 15 15 THR C C 15 173.125 173.125 173.384 -0.259 19703 4037 1 8 . 1 1 15 15 THR CA C 15 61.744 61.744 61.939 -0.195 19703 4038 1 8 . 1 1 15 15 THR CB C 15 70.674 70.674 69.974 0.700 19703 4039 1 8 . 1 1 15 15 THR H H 15 8.058 8.058 8.477 -0.419 19703 4040 1 8 . 1 1 16 16 TYR N N 16 124.739 124.739 125.130 -0.391 19703 4041 1 8 . 1 1 16 16 TYR HA H 16 4.793 4.793 4.751 0.042 19703 4042 1 8 . 1 1 16 16 TYR C C 16 174.110 174.110 174.825 -0.715 19703 4043 1 8 . 1 1 16 16 TYR CA C 16 56.177 56.177 57.591 -1.414 19703 4044 1 8 . 1 1 16 16 TYR CB C 16 43.856 43.856 42.741 1.115 19703 4045 1 8 . 1 1 16 16 TYR H H 16 9.192 9.192 7.987 1.205 19703 4046 1 8 . 1 1 17 17 GLU N N 17 120.492 120.492 125.424 -4.932 19703 4047 1 8 . 1 1 17 17 GLU HA H 17 4.402 4.402 4.352 0.050 19703 4048 1 8 . 1 1 17 17 GLU C C 17 175.431 175.431 175.347 0.084 19703 4049 1 8 . 1 1 17 17 GLU CA C 17 55.885 55.885 57.579 -1.694 19703 4050 1 8 . 1 1 17 17 GLU CB C 17 30.772 30.772 29.591 1.181 19703 4051 1 8 . 1 1 17 17 GLU H H 17 8.485 8.485 8.824 -0.339 19703 4052 1 8 . 1 1 18 18 ALA N N 18 127.314 127.314 127.048 0.266 19703 4053 1 8 . 1 1 18 18 ALA HA H 18 4.289 4.289 4.722 -0.433 19703 4054 1 8 . 1 1 18 18 ALA C C 18 176.561 176.561 175.733 0.828 19703 4055 1 8 . 1 1 18 18 ALA CA C 18 50.368 50.368 50.590 -0.222 19703 4056 1 8 . 1 1 18 18 ALA CB C 18 22.174 22.174 22.084 0.090 19703 4057 1 8 . 1 1 18 18 ALA H H 18 8.394 8.394 7.957 0.437 19703 4058 1 8 . 1 1 19 19 TYR N N 19 118.845 118.845 118.529 0.316 19703 4059 1 8 . 1 1 19 19 TYR HA H 19 4.698 4.698 4.414 0.284 19703 4060 1 8 . 1 1 19 19 TYR C C 19 175.697 175.697 174.816 0.881 19703 4061 1 8 . 1 1 19 19 TYR CA C 19 55.217 55.217 58.145 -2.928 19703 4062 1 8 . 1 1 19 19 TYR CB C 19 38.407 38.407 40.108 -1.701 19703 4063 1 8 . 1 1 19 19 TYR H H 19 8.588 8.588 8.896 -0.308 19703 4064 1 8 . 1 1 20 20 ASP N N 20 121.106 121.106 118.560 2.546 19703 4065 1 8 . 1 1 20 20 ASP HA H 20 4.176 4.176 4.706 -0.530 19703 4066 1 8 . 1 1 20 20 ASP C C 20 176.460 176.460 175.485 0.975 19703 4067 1 8 . 1 1 20 20 ASP CA C 20 55.993 55.993 53.935 2.058 19703 4068 1 8 . 1 1 20 20 ASP CB C 20 41.290 41.290 39.822 1.468 19703 4069 1 8 . 1 1 20 20 ASP H H 20 8.280 8.280 8.483 -0.203 19703 4070 1 8 . 1 1 21 21 GLY N N 21 115.001 115.001 110.091 4.910 19703 4071 1 8 . 1 1 21 21 GLY C C 21 173.948 173.948 173.138 0.810 19703 4072 1 8 . 1 1 21 21 GLY CA C 21 45.288 45.288 45.365 -0.077 19703 4073 1 8 . 1 1 21 21 GLY H H 21 9.011 9.011 8.322 0.689 19703 4074 1 8 . 1 1 22 22 GLU N N 22 121.980 121.980 119.725 2.255 19703 4075 1 8 . 1 1 22 22 GLU HA H 22 4.517 4.517 4.540 -0.022 19703 4076 1 8 . 1 1 22 22 GLU C C 22 175.114 175.114 175.965 -0.851 19703 4077 1 8 . 1 1 22 22 GLU CA C 22 55.077 55.077 54.731 0.346 19703 4078 1 8 . 1 1 22 22 GLU CB C 22 30.747 30.747 31.517 -0.770 19703 4079 1 8 . 1 1 22 22 GLU H H 22 7.856 7.856 7.817 0.039 19703 4080 1 8 . 1 1 23 23 THR N N 23 110.390 110.390 118.719 -8.329 19703 4081 1 8 . 1 1 23 23 THR HA H 23 5.382 5.382 4.281 1.101 19703 4082 1 8 . 1 1 23 23 THR C C 23 176.857 176.857 176.211 0.646 19703 4083 1 8 . 1 1 23 23 THR CA C 23 60.549 60.549 61.882 -1.333 19703 4084 1 8 . 1 1 23 23 THR CB C 23 72.554 72.554 69.681 2.873 19703 4085 1 8 . 1 1 23 23 THR H H 23 8.234 8.234 8.509 -0.275 19703 4086 1 8 . 1 1 24 24 LEU N N 24 120.243 120.243 126.431 -6.188 19703 4087 1 8 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.138 -0.116 19703 4088 1 8 . 1 1 24 24 LEU C C 24 178.102 178.102 177.953 0.149 19703 4089 1 8 . 1 1 24 24 LEU CA C 24 58.076 58.076 57.545 0.531 19703 4090 1 8 . 1 1 24 24 LEU CB C 24 41.982 41.982 41.863 0.119 19703 4091 1 8 . 1 1 24 24 LEU H H 24 8.410 8.410 8.957 -0.547 19703 4092 1 8 . 1 1 25 25 LEU N N 25 116.005 116.005 119.268 -3.263 19703 4093 1 8 . 1 1 25 25 LEU HA H 25 3.772 3.772 3.740 0.032 19703 4094 1 8 . 1 1 25 25 LEU C C 25 176.517 176.517 177.825 -1.308 19703 4095 1 8 . 1 1 25 25 LEU CA C 25 57.593 57.593 57.719 -0.126 19703 4096 1 8 . 1 1 25 25 LEU CB C 25 42.559 42.559 41.778 0.781 19703 4097 1 8 . 1 1 25 25 LEU H H 25 6.645 6.645 7.485 -0.840 19703 4098 1 8 . 1 1 26 26 SER N N 26 115.141 115.141 113.527 1.614 19703 4099 1 8 . 1 1 26 26 SER HA H 26 4.061 4.061 4.197 -0.136 19703 4100 1 8 . 1 1 26 26 SER C C 26 177.287 177.287 176.224 1.063 19703 4101 1 8 . 1 1 26 26 SER CA C 26 61.413 61.413 60.882 0.531 19703 4102 1 8 . 1 1 26 26 SER CB C 26 62.377 62.377 62.996 -0.619 19703 4103 1 8 . 1 1 26 26 SER H H 26 7.847 7.847 7.821 0.026 19703 4104 1 8 . 1 1 27 27 LEU N N 27 122.244 122.244 123.498 -1.254 19703 4105 1 8 . 1 1 27 27 LEU HA H 27 3.837 3.837 4.104 -0.267 19703 4106 1 8 . 1 1 27 27 LEU C C 27 179.116 179.116 178.158 0.958 19703 4107 1 8 . 1 1 27 27 LEU CA C 27 58.435 58.435 57.215 1.220 19703 4108 1 8 . 1 1 27 27 LEU CB C 27 41.586 41.586 41.388 0.198 19703 4109 1 8 . 1 1 27 27 LEU H H 27 7.869 7.869 7.664 0.205 19703 4110 1 8 . 1 1 28 28 ALA N N 28 120.875 120.875 121.719 -0.844 19703 4111 1 8 . 1 1 28 28 ALA HA H 28 3.278 3.278 3.853 -0.575 19703 4112 1 8 . 1 1 28 28 ALA C C 28 179.545 179.545 179.130 0.415 19703 4113 1 8 . 1 1 28 28 ALA CA C 28 54.696 54.696 55.609 -0.913 19703 4114 1 8 . 1 1 28 28 ALA CB C 28 18.423 18.423 17.776 0.646 19703 4115 1 8 . 1 1 28 28 ALA H H 28 8.002 8.002 7.705 0.297 19703 4116 1 8 . 1 1 29 29 HIS N N 29 117.818 117.818 114.192 3.626 19703 4117 1 8 . 1 1 29 29 HIS HA H 29 4.538 4.538 4.412 0.126 19703 4118 1 8 . 1 1 29 29 HIS C C 29 178.985 178.985 177.232 1.753 19703 4119 1 8 . 1 1 29 29 HIS CA C 29 57.620 57.620 58.595 -0.975 19703 4120 1 8 . 1 1 29 29 HIS CB C 29 28.961 28.961 29.352 -0.391 19703 4121 1 8 . 1 1 29 29 HIS H H 29 8.587 8.587 7.503 1.084 19703 4122 1 8 . 1 1 30 30 ARG N N 30 118.408 118.408 118.174 0.234 19703 4123 1 8 . 1 1 30 30 ARG HA H 30 4.111 4.111 4.353 -0.242 19703 4124 1 8 . 1 1 30 30 ARG C C 30 176.361 176.361 177.137 -0.776 19703 4125 1 8 . 1 1 30 30 ARG CA C 30 58.818 58.818 57.286 1.532 19703 4126 1 8 . 1 1 30 30 ARG CB C 30 30.001 30.001 30.483 -0.482 19703 4127 1 8 . 1 1 30 30 ARG H H 30 8.264 8.264 7.595 0.669 19703 4128 1 8 . 1 1 31 31 ASN N N 31 114.401 114.401 115.910 -1.509 19703 4129 1 8 . 1 1 31 31 ASN HA H 31 4.578 4.578 4.760 -0.182 19703 4130 1 8 . 1 1 31 31 ASN C C 31 172.703 172.703 174.117 -1.414 19703 4131 1 8 . 1 1 31 31 ASN CA C 31 53.405 53.405 52.356 1.048 19703 4132 1 8 . 1 1 31 31 ASN CB C 31 40.339 40.339 38.087 2.252 19703 4133 1 8 . 1 1 31 31 ASN H H 31 6.906 6.906 8.011 -1.105 19703 4134 1 8 . 1 1 32 32 ASN N N 32 114.697 114.697 114.073 0.624 19703 4135 1 8 . 1 1 32 32 ASN HA H 32 4.232 4.232 4.277 -0.045 19703 4136 1 8 . 1 1 32 32 ASN C C 32 174.118 174.118 174.533 -0.415 19703 4137 1 8 . 1 1 32 32 ASN CA C 32 54.845 54.845 53.905 0.940 19703 4138 1 8 . 1 1 32 32 ASN CB C 32 36.966 36.966 36.419 0.547 19703 4139 1 8 . 1 1 32 32 ASN H H 32 7.637 7.637 7.575 0.062 19703 4140 1 8 . 1 1 33 33 VAL N N 33 119.649 119.649 118.427 1.222 19703 4141 1 8 . 1 1 33 33 VAL HA H 33 3.508 3.508 4.187 -0.679 19703 4142 1 8 . 1 1 33 33 VAL C C 33 176.639 176.639 175.311 1.328 19703 4143 1 8 . 1 1 33 33 VAL CA C 33 62.163 62.163 61.051 1.112 19703 4144 1 8 . 1 1 33 33 VAL CB C 33 31.566 31.566 33.963 -2.397 19703 4145 1 8 . 1 1 33 33 VAL H H 33 8.003 8.003 7.705 0.298 19703 4146 1 8 . 1 1 34 34 ASP N N 34 128.347 128.347 127.396 0.951 19703 4147 1 8 . 1 1 34 34 ASP HA H 34 4.381 4.381 4.745 -0.364 19703 4148 1 8 . 1 1 34 34 ASP C C 34 172.933 172.933 175.379 -2.446 19703 4149 1 8 . 1 1 34 34 ASP CA C 34 54.311 54.311 54.167 0.144 19703 4150 1 8 . 1 1 34 34 ASP CB C 34 39.063 39.063 40.719 -1.656 19703 4151 1 8 . 1 1 34 34 ASP H H 34 8.469 8.469 8.467 0.002 19703 4152 1 8 . 1 1 35 35 LEU N N 35 127.456 127.456 125.111 2.345 19703 4153 1 8 . 1 1 35 35 LEU HA H 35 4.391 4.391 4.568 -0.177 19703 4154 1 8 . 1 1 35 35 LEU C C 35 174.747 174.747 176.272 -1.525 19703 4155 1 8 . 1 1 35 35 LEU CA C 35 54.105 54.105 54.240 -0.135 19703 4156 1 8 . 1 1 35 35 LEU H H 35 7.864 7.864 8.047 -0.183 19703 4157 1 8 . 1 1 49 49 HIS HA H 49 4.857 4.857 4.739 0.118 19703 4158 1 8 . 1 1 49 49 HIS C C 49 173.176 173.176 174.683 -1.507 19703 4159 1 8 . 1 1 49 49 HIS CA C 49 55.342 55.342 56.120 -0.778 19703 4160 1 8 . 1 1 49 49 HIS CB C 49 29.958 29.958 30.274 -0.316 19703 4161 1 8 . 1 1 50 50 VAL N N 50 119.554 119.554 114.661 4.893 19703 4162 1 8 . 1 1 50 50 VAL HA H 50 4.327 4.327 4.421 -0.094 19703 4163 1 8 . 1 1 50 50 VAL C C 50 172.122 172.122 174.265 -2.143 19703 4164 1 8 . 1 1 50 50 VAL CA C 50 59.245 59.245 60.962 -1.716 19703 4165 1 8 . 1 1 50 50 VAL CB C 50 35.976 35.976 34.798 1.178 19703 4166 1 8 . 1 1 50 50 VAL H H 50 9.210 9.210 8.099 1.111 19703 4167 1 8 . 1 1 51 51 ILE N N 51 121.739 121.739 124.846 -3.107 19703 4168 1 8 . 1 1 51 51 ILE HA H 51 4.021 4.021 4.670 -0.649 19703 4169 1 8 . 1 1 51 51 ILE C C 51 175.868 175.868 173.969 1.899 19703 4170 1 8 . 1 1 51 51 ILE CA C 51 61.108 61.108 60.363 0.745 19703 4171 1 8 . 1 1 51 51 ILE CB C 51 39.340 39.340 39.425 -0.085 19703 4172 1 8 . 1 1 51 51 ILE H H 51 8.279 8.279 8.317 -0.038 19703 4173 1 8 . 1 1 52 52 ILE N N 52 126.048 126.048 124.238 1.810 19703 4174 1 8 . 1 1 52 52 ILE HA H 52 4.027 4.027 4.686 -0.659 19703 4175 1 8 . 1 1 52 52 ILE C C 52 176.343 176.343 174.211 2.132 19703 4176 1 8 . 1 1 52 52 ILE CA C 52 58.856 58.856 57.981 0.875 19703 4177 1 8 . 1 1 52 52 ILE CB C 52 35.576 35.576 40.888 -5.312 19703 4178 1 8 . 1 1 52 52 ILE H H 52 8.454 8.454 8.185 0.269 19703 4179 1 8 . 1 1 53 53 ASP N N 53 127.679 127.679 117.671 10.008 19703 4180 1 8 . 1 1 53 53 ASP C C 53 176.811 176.811 176.422 0.389 19703 4181 1 8 . 1 1 53 53 ASP CA C 53 54.125 54.125 53.186 0.939 19703 4182 1 8 . 1 1 53 53 ASP CB C 53 44.609 44.609 41.196 3.413 19703 4183 1 8 . 1 1 53 53 ASP H H 53 7.698 7.698 8.435 -0.737 19703 4184 1 8 . 1 1 54 54 PRO HA H 54 4.188 4.188 4.413 -0.225 19703 4185 1 8 . 1 1 54 54 PRO C C 54 178.175 178.175 178.233 -0.058 19703 4186 1 8 . 1 1 54 54 PRO CA C 54 66.346 66.346 64.969 1.377 19703 4187 1 8 . 1 1 54 54 PRO CB C 54 32.210 32.210 31.907 0.303 19703 4188 1 8 . 1 1 55 55 SER N N 55 113.470 113.470 112.983 0.487 19703 4189 1 8 . 1 1 55 55 SER HA H 55 4.282 4.282 4.457 -0.175 19703 4190 1 8 . 1 1 55 55 SER C C 55 174.884 174.884 175.365 -0.481 19703 4191 1 8 . 1 1 55 55 SER CA C 55 61.090 61.090 59.980 1.109 19703 4192 1 8 . 1 1 55 55 SER CB C 55 62.971 62.971 63.273 -0.302 19703 4193 1 8 . 1 1 55 55 SER H H 55 8.853 8.853 8.180 0.673 19703 4194 1 8 . 1 1 56 56 TRP N N 56 120.568 120.568 121.180 -0.612 19703 4195 1 8 . 1 1 56 56 TRP HA H 56 4.467 4.467 4.719 -0.252 19703 4196 1 8 . 1 1 56 56 TRP C C 56 176.386 176.386 177.166 -0.780 19703 4197 1 8 . 1 1 56 56 TRP CA C 56 58.465 58.465 58.274 0.191 19703 4198 1 8 . 1 1 56 56 TRP CB C 56 33.371 33.371 31.884 1.487 19703 4199 1 8 . 1 1 56 56 TRP H H 56 8.656 8.656 7.704 0.952 19703 4200 1 8 . 1 1 57 57 TYR N N 57 121.686 121.686 121.360 0.326 19703 4201 1 8 . 1 1 57 57 TYR HA H 57 3.716 3.716 4.070 -0.354 19703 4202 1 8 . 1 1 57 57 TYR C C 57 176.621 176.621 177.030 -0.409 19703 4203 1 8 . 1 1 57 57 TYR CA C 57 64.137 64.137 62.268 1.869 19703 4204 1 8 . 1 1 57 57 TYR CB C 57 38.967 38.967 38.206 0.761 19703 4205 1 8 . 1 1 57 57 TYR H H 57 7.329 7.329 8.390 -1.061 19703 4206 1 8 . 1 1 58 58 ASP N N 58 119.983 119.983 118.454 1.529 19703 4207 1 8 . 1 1 58 58 ASP HA H 58 4.390 4.390 4.194 0.196 19703 4208 1 8 . 1 1 58 58 ASP C C 58 178.509 178.509 177.862 0.647 19703 4209 1 8 . 1 1 58 58 ASP CA C 58 57.914 57.914 55.727 2.187 19703 4210 1 8 . 1 1 58 58 ASP CB C 58 39.741 39.741 40.440 -0.699 19703 4211 1 8 . 1 1 58 58 ASP H H 58 9.033 9.033 8.243 0.790 19703 4212 1 8 . 1 1 59 59 ILE N N 59 122.534 122.534 119.946 2.588 19703 4213 1 8 . 1 1 59 59 ILE HA H 59 3.809 3.809 3.547 0.262 19703 4214 1 8 . 1 1 59 59 ILE C C 59 178.418 178.418 177.624 0.794 19703 4215 1 8 . 1 1 59 59 ILE CA C 59 64.650 64.650 64.283 0.367 19703 4216 1 8 . 1 1 59 59 ILE CB C 59 38.514 38.514 38.068 0.446 19703 4217 1 8 . 1 1 59 59 ILE H H 59 7.894 7.894 7.467 0.427 19703 4218 1 8 . 1 1 60 60 VAL N N 60 118.811 118.811 117.017 1.794 19703 4219 1 8 . 1 1 60 60 VAL HA H 60 3.459 3.459 3.851 -0.392 19703 4220 1 8 . 1 1 60 60 VAL C C 60 178.294 178.294 177.224 1.070 19703 4221 1 8 . 1 1 60 60 VAL CA C 60 67.819 67.819 65.255 2.564 19703 4222 1 8 . 1 1 60 60 VAL CB C 60 31.268 31.268 31.113 0.155 19703 4223 1 8 . 1 1 60 60 VAL H H 60 8.265 8.265 8.005 0.260 19703 4224 1 8 . 1 1 61 61 GLU N N 61 121.332 121.332 119.934 1.398 19703 4225 1 8 . 1 1 61 61 GLU HA H 61 3.625 3.625 3.986 -0.361 19703 4226 1 8 . 1 1 61 61 GLU C C 61 177.407 177.407 177.211 0.196 19703 4227 1 8 . 1 1 61 61 GLU CA C 61 59.055 59.055 58.492 0.563 19703 4228 1 8 . 1 1 61 61 GLU CB C 61 28.425 28.425 29.336 -0.911 19703 4229 1 8 . 1 1 61 61 GLU H H 61 8.036 8.036 7.709 0.327 19703 4230 1 8 . 1 1 62 62 GLN N N 62 117.653 117.653 115.678 1.975 19703 4231 1 8 . 1 1 62 62 GLN HA H 62 3.734 3.734 4.134 -0.400 19703 4232 1 8 . 1 1 62 62 GLN C C 62 177.586 177.586 177.423 0.163 19703 4233 1 8 . 1 1 62 62 GLN CA C 62 58.476 58.476 57.499 0.977 19703 4234 1 8 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.744 -0.644 19703 4235 1 8 . 1 1 62 62 GLN H H 62 7.912 7.912 7.154 0.758 19703 4236 1 8 . 1 1 63 63 HIS N N 63 113.347 113.347 118.129 -4.782 19703 4237 1 8 . 1 1 63 63 HIS HA H 63 4.438 4.438 4.542 -0.104 19703 4238 1 8 . 1 1 63 63 HIS C C 63 177.626 177.626 173.808 3.818 19703 4239 1 8 . 1 1 63 63 HIS CA C 63 56.824 56.824 55.715 1.109 19703 4240 1 8 . 1 1 63 63 HIS CB C 63 31.805 31.805 30.173 1.632 19703 4241 1 8 . 1 1 63 63 HIS H H 63 6.929 6.929 7.866 -0.937 19703 4242 1 8 . 1 1 64 64 ASN N N 64 121.506 121.506 117.476 4.030 19703 4243 1 8 . 1 1 64 64 ASN HA H 64 5.081 5.081 4.869 0.212 19703 4244 1 8 . 1 1 64 64 ASN C C 64 172.577 172.577 173.639 -1.062 19703 4245 1 8 . 1 1 64 64 ASN CA C 64 52.317 52.317 52.383 -0.066 19703 4246 1 8 . 1 1 64 64 ASN CB C 64 40.113 40.113 40.707 -0.594 19703 4247 1 8 . 1 1 64 64 ASN H H 64 7.875 7.875 7.530 0.345 19703 4248 1 8 . 1 1 65 65 GLU N N 65 126.101 126.101 120.614 5.487 19703 4249 1 8 . 1 1 65 65 GLU HA H 65 4.132 4.132 4.525 -0.393 19703 4250 1 8 . 1 1 65 65 GLU C C 65 176.297 176.297 175.658 0.639 19703 4251 1 8 . 1 1 65 65 GLU CA C 65 57.575 57.575 55.429 2.146 19703 4252 1 8 . 1 1 65 65 GLU CB C 65 30.195 30.195 31.248 -1.053 19703 4253 1 8 . 1 1 65 65 GLU H H 65 8.791 8.791 8.348 0.443 19703 4254 1 8 . 1 1 66 66 ILE N N 66 125.274 125.274 116.305 8.969 19703 4255 1 8 . 1 1 66 66 ILE HA H 66 3.995 3.995 4.706 -0.711 19703 4256 1 8 . 1 1 66 66 ILE C C 66 176.257 176.257 175.614 0.643 19703 4257 1 8 . 1 1 66 66 ILE CA C 66 62.046 62.046 59.836 2.210 19703 4258 1 8 . 1 1 66 66 ILE CB C 66 37.899 37.899 39.813 -1.914 19703 4259 1 8 . 1 1 66 66 ILE H H 66 8.973 8.973 8.102 0.871 19703 4260 1 8 . 1 1 67 67 SER N N 67 125.487 125.487 121.248 4.239 19703 4261 1 8 . 1 1 67 67 SER HA H 67 4.439 4.439 4.588 -0.149 19703 4262 1 8 . 1 1 67 67 SER C C 67 174.736 174.736 175.194 -0.458 19703 4263 1 8 . 1 1 67 67 SER CA C 67 58.127 58.127 57.257 0.870 19703 4264 1 8 . 1 1 67 67 SER CB C 67 66.057 66.057 64.495 1.562 19703 4265 1 8 . 1 1 67 67 SER H H 67 8.585 8.585 8.377 0.208 19703 4266 1 8 . 1 1 68 68 ASP N N 68 122.043 122.043 121.604 0.439 19703 4267 1 8 . 1 1 68 68 ASP HA H 68 4.309 4.309 4.389 -0.080 19703 4268 1 8 . 1 1 68 68 ASP C C 68 178.298 178.298 177.925 0.373 19703 4269 1 8 . 1 1 68 68 ASP CA C 68 57.596 57.596 57.332 0.264 19703 4270 1 8 . 1 1 68 68 ASP CB C 68 40.548 40.548 40.419 0.129 19703 4271 1 8 . 1 1 68 68 ASP H H 68 8.929 8.929 8.816 0.113 19703 4272 1 8 . 1 1 69 69 GLU N N 69 118.225 118.225 117.924 0.301 19703 4273 1 8 . 1 1 69 69 GLU HA H 69 3.960 3.960 4.156 -0.196 19703 4274 1 8 . 1 1 69 69 GLU C C 69 178.938 178.938 178.315 0.623 19703 4275 1 8 . 1 1 69 69 GLU CA C 69 60.728 60.728 58.442 2.286 19703 4276 1 8 . 1 1 69 69 GLU CB C 69 29.492 29.492 29.219 0.273 19703 4277 1 8 . 1 1 69 69 GLU H H 69 8.852 8.852 8.407 0.445 19703 4278 1 8 . 1 1 70 70 GLU N N 70 121.051 121.051 121.393 -0.342 19703 4279 1 8 . 1 1 70 70 GLU HA H 70 3.820 3.820 3.986 -0.166 19703 4280 1 8 . 1 1 70 70 GLU C C 70 177.857 177.857 178.216 -0.359 19703 4281 1 8 . 1 1 70 70 GLU CA C 70 59.443 59.443 60.067 -0.624 19703 4282 1 8 . 1 1 70 70 GLU CB C 70 28.344 28.344 29.459 -1.115 19703 4283 1 8 . 1 1 70 70 GLU H H 70 7.923 7.923 7.991 -0.068 19703 4284 1 8 . 1 1 71 71 ASN N N 71 118.461 118.461 116.439 2.022 19703 4285 1 8 . 1 1 71 71 ASN HA H 71 4.360 4.360 4.434 -0.074 19703 4286 1 8 . 1 1 71 71 ASN C C 71 177.621 177.621 177.546 0.075 19703 4287 1 8 . 1 1 71 71 ASN CA C 71 56.919 56.919 56.003 0.916 19703 4288 1 8 . 1 1 71 71 ASN CB C 71 38.688 38.688 38.613 0.075 19703 4289 1 8 . 1 1 71 71 ASN H H 71 7.988 7.988 8.340 -0.352 19703 4290 1 8 . 1 1 72 72 ASP N N 72 118.807 118.807 119.416 -0.609 19703 4291 1 8 . 1 1 72 72 ASP HA H 72 4.249 4.249 4.513 -0.264 19703 4292 1 8 . 1 1 72 72 ASP C C 72 178.772 178.772 178.850 -0.078 19703 4293 1 8 . 1 1 72 72 ASP CA C 72 57.507 57.507 56.790 0.717 19703 4294 1 8 . 1 1 72 72 ASP CB C 72 40.932 40.932 41.189 -0.257 19703 4295 1 8 . 1 1 72 72 ASP H H 72 8.129 8.129 7.539 0.590 19703 4296 1 8 . 1 1 73 73 MET N N 73 117.610 117.610 119.848 -2.238 19703 4297 1 8 . 1 1 73 73 MET HA H 73 4.415 4.415 4.132 0.283 19703 4298 1 8 . 1 1 73 73 MET C C 73 180.694 180.694 178.568 2.126 19703 4299 1 8 . 1 1 73 73 MET CA C 73 56.144 56.144 58.145 -2.001 19703 4300 1 8 . 1 1 73 73 MET CB C 73 34.126 34.126 31.967 2.159 19703 4301 1 8 . 1 1 73 73 MET H H 73 7.523 7.523 8.187 -0.664 19703 4302 1 8 . 1 1 74 74 LEU N N 74 123.258 123.258 118.180 5.078 19703 4303 1 8 . 1 1 74 74 LEU HA H 74 3.768 3.768 4.060 -0.292 19703 4304 1 8 . 1 1 74 74 LEU C C 74 178.471 178.471 177.579 0.892 19703 4305 1 8 . 1 1 74 74 LEU CA C 74 57.865 57.865 57.902 -0.037 19703 4306 1 8 . 1 1 74 74 LEU CB C 74 41.013 41.013 41.855 -0.842 19703 4307 1 8 . 1 1 74 74 LEU H H 74 8.850 8.850 7.682 1.168 19703 4308 1 8 . 1 1 75 75 ASP N N 75 115.491 115.491 117.766 -2.275 19703 4309 1 8 . 1 1 75 75 ASP HA H 75 4.320 4.320 4.547 -0.227 19703 4310 1 8 . 1 1 75 75 ASP C C 75 177.521 177.521 177.674 -0.153 19703 4311 1 8 . 1 1 75 75 ASP CA C 75 57.000 57.000 56.539 0.460 19703 4312 1 8 . 1 1 75 75 ASP CB C 75 41.163 41.163 41.226 -0.063 19703 4313 1 8 . 1 1 75 75 ASP H H 75 7.439 7.439 7.871 -0.432 19703 4314 1 8 . 1 1 76 76 LEU N N 76 116.660 116.660 119.560 -2.900 19703 4315 1 8 . 1 1 76 76 LEU HA H 76 4.280 4.280 4.387 -0.107 19703 4316 1 8 . 1 1 76 76 LEU C C 76 177.224 177.224 176.950 0.274 19703 4317 1 8 . 1 1 76 76 LEU CA C 76 54.067 54.067 55.130 -1.062 19703 4318 1 8 . 1 1 76 76 LEU CB C 76 42.211 42.211 42.669 -0.458 19703 4319 1 8 . 1 1 76 76 LEU H H 76 7.039 7.039 7.387 -0.348 19703 4320 1 8 . 1 1 77 77 ALA N N 77 123.914 123.914 121.949 1.965 19703 4321 1 8 . 1 1 77 77 ALA HA H 77 4.074 4.074 4.180 -0.106 19703 4322 1 8 . 1 1 77 77 ALA C C 77 177.216 177.216 176.377 0.839 19703 4323 1 8 . 1 1 77 77 ALA CA C 77 52.304 52.304 52.609 -0.305 19703 4324 1 8 . 1 1 77 77 ALA CB C 77 18.204 18.204 17.976 0.228 19703 4325 1 8 . 1 1 77 77 ALA H H 77 7.736 7.736 7.409 0.327 19703 4326 1 8 . 1 1 78 78 PHE N N 78 122.688 122.688 125.225 -2.537 19703 4327 1 8 . 1 1 78 78 PHE HA H 78 4.415 4.415 4.542 -0.127 19703 4328 1 8 . 1 1 78 78 PHE C C 78 176.460 176.460 176.266 0.194 19703 4329 1 8 . 1 1 78 78 PHE CA C 78 57.752 57.752 57.891 -0.139 19703 4330 1 8 . 1 1 78 78 PHE CB C 78 39.221 39.221 41.399 -2.178 19703 4331 1 8 . 1 1 78 78 PHE H H 78 8.310 8.310 7.954 0.356 19703 4332 1 8 . 1 1 79 79 GLY N N 79 112.822 112.822 115.660 -2.838 19703 4333 1 8 . 1 1 79 79 GLY C C 79 174.510 174.510 173.548 0.962 19703 4334 1 8 . 1 1 79 79 GLY CA C 79 46.279 46.279 44.695 1.584 19703 4335 1 8 . 1 1 79 79 GLY H H 79 8.383 8.383 8.294 0.089 19703 4336 1 8 . 1 1 80 80 LEU N N 80 118.988 118.988 121.134 -2.146 19703 4337 1 8 . 1 1 80 80 LEU HA H 80 3.754 3.754 4.339 -0.585 19703 4338 1 8 . 1 1 80 80 LEU C C 80 176.528 176.528 176.887 -0.359 19703 4339 1 8 . 1 1 80 80 LEU CA C 80 56.497 56.497 54.559 1.938 19703 4340 1 8 . 1 1 80 80 LEU CB C 80 42.808 42.808 42.973 -0.165 19703 4341 1 8 . 1 1 80 80 LEU H H 80 6.978 6.978 7.611 -0.633 19703 4342 1 8 . 1 1 81 81 THR N N 81 118.057 118.057 110.255 7.802 19703 4343 1 8 . 1 1 81 81 THR HA H 81 4.857 4.857 4.351 0.506 19703 4344 1 8 . 1 1 81 81 THR C C 81 175.739 175.739 174.803 0.936 19703 4345 1 8 . 1 1 81 81 THR CA C 81 60.194 60.194 61.226 -1.032 19703 4346 1 8 . 1 1 81 81 THR CB C 81 73.868 73.868 70.316 3.552 19703 4347 1 8 . 1 1 81 81 THR H H 81 9.176 9.176 8.030 1.146 19703 4348 1 8 . 1 1 82 82 ASP N N 82 118.080 118.080 119.590 -1.510 19703 4349 1 8 . 1 1 82 82 ASP HA H 82 4.379 4.379 4.287 0.092 19703 4350 1 8 . 1 1 82 82 ASP C C 82 176.700 176.700 176.551 0.149 19703 4351 1 8 . 1 1 82 82 ASP CA C 82 55.835 55.835 56.237 -0.403 19703 4352 1 8 . 1 1 82 82 ASP CB C 82 40.675 40.675 40.493 0.182 19703 4353 1 8 . 1 1 82 82 ASP H H 82 8.679 8.679 8.613 0.066 19703 4354 1 8 . 1 1 83 83 THR N N 83 107.059 107.059 106.995 0.064 19703 4355 1 8 . 1 1 83 83 THR HA H 83 4.253 4.253 4.054 0.199 19703 4356 1 8 . 1 1 83 83 THR C C 83 174.494 174.494 173.919 0.575 19703 4357 1 8 . 1 1 83 83 THR CA C 83 59.749 59.749 63.022 -3.272 19703 4358 1 8 . 1 1 83 83 THR CB C 83 66.801 66.801 69.516 -2.715 19703 4359 1 8 . 1 1 83 83 THR H H 83 7.893 7.893 7.542 0.351 19703 4360 1 8 . 1 1 84 84 SER N N 84 121.526 121.526 116.610 4.916 19703 4361 1 8 . 1 1 84 84 SER HA H 84 5.080 5.080 4.612 0.468 19703 4362 1 8 . 1 1 84 84 SER C C 84 173.561 173.561 174.390 -0.829 19703 4363 1 8 . 1 1 84 84 SER CA C 84 61.844 61.844 57.645 4.199 19703 4364 1 8 . 1 1 84 84 SER CB C 84 64.933 64.933 63.620 1.313 19703 4365 1 8 . 1 1 84 84 SER H H 84 6.993 6.993 7.247 -0.254 19703 4366 1 8 . 1 1 85 85 ARG N N 85 118.632 118.632 128.252 -9.620 19703 4367 1 8 . 1 1 85 85 ARG HA H 85 4.809 4.809 4.731 0.078 19703 4368 1 8 . 1 1 85 85 ARG C C 85 175.213 175.213 175.744 -0.531 19703 4369 1 8 . 1 1 85 85 ARG CA C 85 52.209 52.209 55.071 -2.862 19703 4370 1 8 . 1 1 85 85 ARG CB C 85 35.685 35.685 32.879 2.806 19703 4371 1 8 . 1 1 85 85 ARG H H 85 9.358 9.358 8.879 0.479 19703 4372 1 8 . 1 1 86 86 LEU N N 86 120.203 120.203 121.033 -0.830 19703 4373 1 8 . 1 1 86 86 LEU H H 86 9.122 9.122 8.996 0.126 19703 4374 1 8 . 1 1 89 89 GLN HA H 89 4.188 4.188 4.396 -0.208 19703 4375 1 8 . 1 1 89 89 GLN C C 89 173.992 173.992 174.798 -0.806 19703 4376 1 8 . 1 1 89 89 GLN CA C 89 53.850 53.850 54.825 -0.975 19703 4377 1 8 . 1 1 89 89 GLN CB C 89 29.721 29.721 30.038 -0.317 19703 4378 1 8 . 1 1 90 90 ILE N N 90 117.060 117.060 117.957 -0.897 19703 4379 1 8 . 1 1 90 90 ILE HA H 90 3.787 3.787 3.787 -0.000 19703 4380 1 8 . 1 1 90 90 ILE C C 90 173.762 173.762 174.760 -0.998 19703 4381 1 8 . 1 1 90 90 ILE CA C 90 58.765 58.765 62.029 -3.264 19703 4382 1 8 . 1 1 90 90 ILE CB C 90 37.268 37.268 35.819 1.450 19703 4383 1 8 . 1 1 90 90 ILE H H 90 6.736 6.736 7.945 -1.209 19703 4384 1 8 . 1 1 91 91 ILE N N 91 128.173 128.173 119.913 8.260 19703 4385 1 8 . 1 1 91 91 ILE HA H 91 3.895 3.895 4.627 -0.732 19703 4386 1 8 . 1 1 91 91 ILE C C 91 175.955 175.955 175.754 0.201 19703 4387 1 8 . 1 1 91 91 ILE CA C 91 60.160 60.160 58.912 1.248 19703 4388 1 8 . 1 1 91 91 ILE CB C 91 37.104 37.104 38.980 -1.876 19703 4389 1 8 . 1 1 91 91 ILE H H 91 8.157 8.157 8.274 -0.117 19703 4390 1 8 . 1 1 92 92 LEU N N 92 127.403 127.403 123.282 4.121 19703 4391 1 8 . 1 1 92 92 LEU HA H 92 4.105 4.105 4.384 -0.279 19703 4392 1 8 . 1 1 92 92 LEU C C 92 174.391 174.391 175.989 -1.598 19703 4393 1 8 . 1 1 92 92 LEU CA C 92 54.805 54.805 55.448 -0.643 19703 4394 1 8 . 1 1 92 92 LEU CB C 92 40.594 40.594 42.679 -2.085 19703 4395 1 8 . 1 1 92 92 LEU H H 92 8.979 8.979 8.657 0.322 19703 4396 1 8 . 1 1 93 93 THR N N 93 110.385 110.385 111.253 -0.868 19703 4397 1 8 . 1 1 93 93 THR HA H 93 4.760 4.760 4.623 0.137 19703 4398 1 8 . 1 1 93 93 THR C C 93 176.119 176.119 174.735 1.384 19703 4399 1 8 . 1 1 93 93 THR CA C 93 59.059 59.059 60.152 -1.093 19703 4400 1 8 . 1 1 93 93 THR CB C 93 72.517 72.517 71.279 1.238 19703 4401 1 8 . 1 1 93 93 THR H H 93 6.270 6.270 8.027 -1.757 19703 4402 1 8 . 1 1 94 94 LYS N N 94 120.484 120.484 122.800 -2.316 19703 4403 1 8 . 1 1 94 94 LYS HA H 94 3.684 3.684 4.088 -0.404 19703 4404 1 8 . 1 1 94 94 LYS C C 94 177.634 177.634 178.016 -0.382 19703 4405 1 8 . 1 1 94 94 LYS CA C 94 59.586 59.586 58.858 0.727 19703 4406 1 8 . 1 1 94 94 LYS CB C 94 31.690 31.690 32.210 -0.520 19703 4407 1 8 . 1 1 94 94 LYS H H 94 9.071 9.071 8.766 0.305 19703 4408 1 8 . 1 1 95 95 GLU N N 95 118.365 118.365 119.119 -0.754 19703 4409 1 8 . 1 1 95 95 GLU HA H 95 3.960 3.960 4.089 -0.129 19703 4410 1 8 . 1 1 95 95 GLU C C 95 176.639 176.639 177.773 -1.134 19703 4411 1 8 . 1 1 95 95 GLU CA C 95 59.480 59.480 58.862 0.618 19703 4412 1 8 . 1 1 95 95 GLU CB C 95 28.224 28.224 29.282 -1.058 19703 4413 1 8 . 1 1 95 95 GLU H H 95 8.422 8.422 8.415 0.007 19703 4414 1 8 . 1 1 96 96 LEU N N 96 116.407 116.407 119.026 -2.619 19703 4415 1 8 . 1 1 96 96 LEU HA H 96 4.453 4.453 4.390 0.063 19703 4416 1 8 . 1 1 96 96 LEU C C 96 174.106 174.106 176.191 -2.085 19703 4417 1 8 . 1 1 96 96 LEU CA C 96 53.499 53.499 54.048 -0.549 19703 4418 1 8 . 1 1 96 96 LEU CB C 96 40.899 40.899 41.500 -0.601 19703 4419 1 8 . 1 1 96 96 LEU H H 96 7.727 7.727 7.375 0.352 19703 4420 1 8 . 1 1 97 97 ASP N N 97 116.722 116.722 120.401 -3.679 19703 4421 1 8 . 1 1 97 97 ASP HA H 97 4.012 4.012 4.289 -0.277 19703 4422 1 8 . 1 1 97 97 ASP C C 97 175.803 175.803 177.853 -2.050 19703 4423 1 8 . 1 1 97 97 ASP CA C 97 56.511 56.511 54.656 1.855 19703 4424 1 8 . 1 1 97 97 ASP CB C 97 41.691 41.691 39.938 1.752 19703 4425 1 8 . 1 1 97 97 ASP H H 97 7.046 7.046 7.981 -0.935 19703 4426 1 8 . 1 1 98 98 GLY N N 98 117.545 117.545 113.098 4.447 19703 4427 1 8 . 1 1 98 98 GLY C C 98 173.481 173.481 173.402 0.079 19703 4428 1 8 . 1 1 98 98 GLY CA C 98 44.602 44.602 45.211 -0.609 19703 4429 1 8 . 1 1 98 98 GLY H H 98 8.957 8.957 8.562 0.395 19703 4430 1 8 . 1 1 99 99 LEU N N 99 122.555 122.555 120.032 2.523 19703 4431 1 8 . 1 1 99 99 LEU C C 99 173.036 173.036 175.370 -2.334 19703 4432 1 8 . 1 1 99 99 LEU CA C 99 55.737 55.737 53.321 2.416 19703 4433 1 8 . 1 1 99 99 LEU CB C 99 42.087 42.087 45.338 -3.251 19703 4434 1 8 . 1 1 99 99 LEU H H 99 7.239 7.239 7.907 -0.668 19703 4435 1 8 . 1 1 100 100 CYS N N 100 121.421 121.421 122.115 -0.694 19703 4436 1 8 . 1 1 100 100 CYS HA H 100 5.219 5.219 5.160 0.059 19703 4437 1 8 . 1 1 100 100 CYS C C 100 172.184 172.184 174.424 -2.240 19703 4438 1 8 . 1 1 100 100 CYS CA C 100 54.042 54.042 56.754 -2.712 19703 4439 1 8 . 1 1 100 100 CYS CB C 100 45.330 45.330 26.942 18.388 19703 4440 1 8 . 1 1 100 100 CYS H H 100 5.355 5.355 8.414 -3.059 19703 4441 1 8 . 1 1 101 101 VAL N N 101 121.510 121.510 120.195 1.315 19703 4442 1 8 . 1 1 101 101 VAL HA H 101 4.435 4.435 4.596 -0.161 19703 4443 1 8 . 1 1 101 101 VAL C C 101 172.314 172.314 174.035 -1.721 19703 4444 1 8 . 1 1 101 101 VAL CA C 101 59.936 59.936 60.000 -0.064 19703 4445 1 8 . 1 1 101 101 VAL CB C 101 34.396 34.396 35.727 -1.331 19703 4446 1 8 . 1 1 101 101 VAL H H 101 8.691 8.691 8.770 -0.079 19703 4447 1 8 . 1 1 102 102 ILE N N 102 126.427 126.427 120.829 5.598 19703 4448 1 8 . 1 1 102 102 ILE HA H 102 4.505 4.505 4.348 0.157 19703 4449 1 8 . 1 1 102 102 ILE C C 102 175.584 175.584 176.577 -0.993 19703 4450 1 8 . 1 1 102 102 ILE CA C 102 60.603 60.603 59.903 0.700 19703 4451 1 8 . 1 1 102 102 ILE CB C 102 40.383 40.383 37.329 3.054 19703 4452 1 8 . 1 1 102 102 ILE H H 102 9.582 9.582 8.167 1.415 19703 4453 1 8 . 1 1 103 103 LEU N N 103 127.589 127.589 124.983 2.606 19703 4454 1 8 . 1 1 103 103 LEU HA H 103 4.665 4.665 4.214 0.451 19703 4455 1 8 . 1 1 103 103 LEU C C 103 174.725 174.725 175.987 -1.262 19703 4456 1 8 . 1 1 103 103 LEU CA C 103 52.048 52.048 53.656 -1.608 19703 4457 1 8 . 1 1 103 103 LEU CB C 103 40.970 40.970 40.565 0.405 19703 4458 1 8 . 1 1 103 103 LEU H H 103 8.321 8.321 8.203 0.118 19703 4459 1 8 . 1 1 104 104 PRO HA H 104 4.306 4.306 4.353 -0.047 19703 4460 1 8 . 1 1 104 104 PRO C C 104 176.389 176.389 176.880 -0.491 19703 4461 1 8 . 1 1 104 104 PRO CA C 104 62.963 62.963 64.305 -1.342 19703 4462 1 8 . 1 1 104 104 PRO CB C 104 32.265 32.265 31.611 0.654 19703 4463 1 8 . 1 1 105 105 THR N N 105 113.257 113.257 112.815 0.442 19703 4464 1 8 . 1 1 105 105 THR HA H 105 4.139 4.139 4.290 -0.151 19703 4465 1 8 . 1 1 105 105 THR C C 105 174.080 174.080 173.982 0.098 19703 4466 1 8 . 1 1 105 105 THR CA C 105 62.593 62.593 61.543 1.050 19703 4467 1 8 . 1 1 105 105 THR CB C 105 69.871 69.871 70.332 -0.461 19703 4468 1 8 . 1 1 105 105 THR H H 105 8.108 8.108 7.479 0.629 19703 4469 1 8 . 1 1 106 106 GLU N N 106 122.035 122.035 119.438 2.597 19703 4470 1 8 . 1 1 106 106 GLU HA H 106 4.352 4.352 4.494 -0.142 19703 4471 1 8 . 1 1 106 106 GLU C C 106 176.012 176.012 175.717 0.295 19703 4472 1 8 . 1 1 106 106 GLU CA C 106 56.393 56.393 55.544 0.849 19703 4473 1 8 . 1 1 106 106 GLU CB C 106 31.113 31.113 29.272 1.841 19703 4474 1 8 . 1 1 106 106 GLU H H 106 8.291 8.291 8.634 -0.343 19703 4475 1 8 . 1 1 107 107 THR N N 107 115.185 115.185 116.037 -0.852 19703 4476 1 8 . 1 1 107 107 THR HA H 107 4.240 4.240 4.588 -0.348 19703 4477 1 8 . 1 1 107 107 THR C C 107 174.345 174.345 173.241 1.104 19703 4478 1 8 . 1 1 107 107 THR CA C 107 61.839 61.839 60.689 1.150 19703 4479 1 8 . 1 1 107 107 THR CB C 107 70.027 70.027 70.201 -0.174 19703 4480 1 8 . 1 1 107 107 THR H H 107 8.308 8.308 7.555 0.753 19703 4481 1 8 . 1 1 108 108 ARG N N 108 122.789 122.789 120.293 2.496 19703 4482 1 8 . 1 1 108 108 ARG HA H 108 4.133 4.133 4.593 -0.460 19703 4483 1 8 . 1 1 108 108 ARG C C 108 175.543 175.543 174.109 1.434 19703 4484 1 8 . 1 1 108 108 ARG CA C 108 56.088 56.088 55.382 0.706 19703 4485 1 8 . 1 1 108 108 ARG CB C 108 30.906 30.906 32.478 -1.572 19703 4486 1 8 . 1 1 108 108 ARG H H 108 8.289 8.289 8.471 -0.182 19703 4487 1 8 . 1 1 109 109 ASN N N 109 120.177 120.177 117.944 2.233 19703 4488 1 8 . 1 1 109 109 ASN HA H 109 4.579 4.579 4.808 -0.229 19703 4489 1 8 . 1 1 109 109 ASN C C 109 175.106 175.106 173.114 1.992 19703 4490 1 8 . 1 1 109 109 ASN CA C 109 53.134 53.134 53.071 0.063 19703 4491 1 8 . 1 1 109 109 ASN CB C 109 38.735 38.735 40.827 -2.092 19703 4492 1 8 . 1 1 109 109 ASN H H 109 8.365 8.365 8.416 -0.051 19703 4493 1 8 . 1 1 110 110 ILE N N 110 120.936 120.936 119.696 1.240 19703 4494 1 8 . 1 1 110 110 ILE HA H 110 4.070 4.070 4.606 -0.536 19703 4495 1 8 . 1 1 110 110 ILE C C 110 175.914 175.914 173.596 2.318 19703 4496 1 8 . 1 1 110 110 ILE CA C 110 61.340 61.340 62.582 -1.242 19703 4497 1 8 . 1 1 110 110 ILE CB C 110 38.861 38.861 39.429 -0.568 19703 4498 1 8 . 1 1 110 110 ILE H H 110 7.983 7.983 8.518 -0.535 19703 4499 1 8 . 1 1 111 111 SER N N 111 118.751 118.751 123.031 -4.280 19703 4500 1 8 . 1 1 111 111 SER HA H 111 4.340 4.340 4.678 -0.338 19703 4501 1 8 . 1 1 111 111 SER C C 111 173.977 173.977 173.388 0.589 19703 4502 1 8 . 1 1 111 111 SER CA C 111 58.315 58.315 58.249 0.066 19703 4503 1 8 . 1 1 111 111 SER CB C 111 63.845 63.845 64.726 -0.881 19703 4504 1 8 . 1 1 111 111 SER H H 111 8.176 8.176 8.505 -0.329 19703 4505 1 8 . 1 1 112 112 PHE N N 112 122.536 122.536 121.128 1.408 19703 4506 1 8 . 1 1 112 112 PHE HA H 112 4.555 4.555 4.874 -0.319 19703 4507 1 8 . 1 1 112 112 PHE C C 112 175.282 175.282 174.611 0.671 19703 4508 1 8 . 1 1 112 112 PHE CA C 112 57.743 57.743 56.852 0.891 19703 4509 1 8 . 1 1 112 112 PHE CB C 112 39.708 39.708 38.302 1.406 19703 4510 1 8 . 1 1 112 112 PHE H H 112 8.118 8.118 7.727 0.391 19703 4511 1 8 . 1 1 113 113 VAL N N 113 122.561 122.561 120.366 2.195 19703 4512 1 8 . 1 1 113 113 VAL HA H 113 3.922 3.922 4.205 -0.283 19703 4513 1 8 . 1 1 113 113 VAL C C 113 175.447 175.447 176.257 -0.810 19703 4514 1 8 . 1 1 113 113 VAL CA C 113 62.237 62.237 60.350 1.887 19703 4515 1 8 . 1 1 113 113 VAL CB C 113 32.899 32.899 33.644 -0.745 19703 4516 1 8 . 1 1 113 113 VAL H H 113 7.907 7.907 7.334 0.573 19703 4517 1 8 . 1 1 114 114 LYS N N 114 125.629 125.629 125.413 0.216 19703 4518 1 8 . 1 1 114 114 LYS HA H 114 4.208 4.208 4.369 -0.161 19703 4519 1 8 . 1 1 114 114 LYS C C 114 176.039 176.039 176.016 0.023 19703 4520 1 8 . 1 1 114 114 LYS CA C 114 56.316 56.316 55.446 0.870 19703 4521 1 8 . 1 1 114 114 LYS CB C 114 33.152 33.152 31.293 1.859 19703 4522 1 8 . 1 1 114 114 LYS H H 114 8.283 8.283 8.514 -0.231 19703 4523 1 8 . 1 1 115 115 ASN N N 115 121.240 121.240 121.630 -0.390 19703 4524 1 8 . 1 1 115 115 ASN HA H 115 4.672 4.672 4.628 0.044 19703 4525 1 8 . 1 1 115 115 ASN C C 115 174.230 174.230 174.102 0.128 19703 4526 1 8 . 1 1 115 115 ASN CA C 115 53.356 53.356 54.948 -1.592 19703 4527 1 8 . 1 1 115 115 ASN CB C 115 39.079 39.079 39.133 -0.054 19703 4528 1 8 . 1 1 115 115 ASN H H 115 8.452 8.452 8.079 0.373 19703 4529 1 9 . 1 1 2 2 PRO HA H 2 4.138 4.138 4.447 -0.309 19703 4530 1 9 . 1 1 2 2 PRO C C 2 174.711 174.711 175.472 -0.761 19703 4531 1 9 . 1 1 2 2 PRO CA C 2 61.918 61.918 62.669 -0.751 19703 4532 1 9 . 1 1 2 2 PRO CB C 2 31.604 31.604 32.473 -0.869 19703 4533 1 9 . 1 1 3 3 LEU N N 3 122.430 122.430 119.640 2.790 19703 4534 1 9 . 1 1 3 3 LEU HA H 3 4.840 4.840 4.545 0.295 19703 4535 1 9 . 1 1 3 3 LEU C C 3 176.954 176.954 175.095 1.859 19703 4536 1 9 . 1 1 3 3 LEU CA C 3 53.697 53.697 53.906 -0.209 19703 4537 1 9 . 1 1 3 3 LEU CB C 3 42.404 42.404 44.957 -2.553 19703 4538 1 9 . 1 1 3 3 LEU H H 3 8.745 8.745 8.082 0.663 19703 4539 1 9 . 1 1 4 4 ILE N N 4 125.237 125.237 123.365 1.872 19703 4540 1 9 . 1 1 4 4 ILE HA H 4 4.465 4.465 4.416 0.049 19703 4541 1 9 . 1 1 4 4 ILE C C 4 174.949 174.949 174.884 0.065 19703 4542 1 9 . 1 1 4 4 ILE CA C 4 57.967 57.967 58.436 -0.469 19703 4543 1 9 . 1 1 4 4 ILE CB C 4 38.795 38.795 39.504 -0.709 19703 4544 1 9 . 1 1 4 4 ILE H H 4 8.824 8.824 7.903 0.921 19703 4545 1 9 . 1 1 5 5 THR N N 5 124.237 124.237 123.177 1.060 19703 4546 1 9 . 1 1 5 5 THR HA H 5 5.133 5.133 4.359 0.774 19703 4547 1 9 . 1 1 5 5 THR C C 5 172.705 172.705 173.852 -1.147 19703 4548 1 9 . 1 1 5 5 THR CA C 5 61.945 61.945 61.478 0.467 19703 4549 1 9 . 1 1 5 5 THR CB C 5 70.736 70.736 68.562 2.174 19703 4550 1 9 . 1 1 5 5 THR H H 5 8.802 8.802 7.975 0.827 19703 4551 1 9 . 1 1 6 6 PHE N N 6 124.358 124.358 127.779 -3.421 19703 4552 1 9 . 1 1 6 6 PHE HA H 6 5.244 5.244 5.357 -0.113 19703 4553 1 9 . 1 1 6 6 PHE C C 6 176.172 176.172 175.691 0.481 19703 4554 1 9 . 1 1 6 6 PHE CA C 6 56.309 56.309 55.463 0.846 19703 4555 1 9 . 1 1 6 6 PHE CB C 6 42.111 42.111 39.685 2.425 19703 4556 1 9 . 1 1 6 6 PHE H H 6 9.239 9.239 7.905 1.334 19703 4557 1 9 . 1 1 7 7 ILE N N 7 126.251 126.251 125.658 0.593 19703 4558 1 9 . 1 1 7 7 ILE HA H 7 4.847 4.847 4.631 0.216 19703 4559 1 9 . 1 1 7 7 ILE C C 7 176.608 176.608 176.166 0.442 19703 4560 1 9 . 1 1 7 7 ILE CA C 7 60.317 60.317 60.491 -0.174 19703 4561 1 9 . 1 1 7 7 ILE CB C 7 38.252 38.252 38.499 -0.247 19703 4562 1 9 . 1 1 7 7 ILE H H 7 9.509 9.509 8.068 1.441 19703 4563 1 9 . 1 1 8 8 SER N N 8 124.211 124.211 123.027 1.184 19703 4564 1 9 . 1 1 8 8 SER C C 8 174.143 174.143 174.765 -0.622 19703 4565 1 9 . 1 1 8 8 SER CA C 8 59.506 59.506 55.956 3.550 19703 4566 1 9 . 1 1 8 8 SER CB C 8 62.938 62.938 62.622 0.316 19703 4567 1 9 . 1 1 8 8 SER H H 8 8.880 8.880 8.509 0.371 19703 4568 1 9 . 1 1 9 9 PRO HA H 9 4.326 4.326 4.465 -0.139 19703 4569 1 9 . 1 1 9 9 PRO C C 9 176.530 176.530 176.243 0.287 19703 4570 1 9 . 1 1 9 9 PRO CA C 9 65.685 65.685 64.221 1.464 19703 4571 1 9 . 1 1 9 9 PRO CB C 9 31.920 31.920 31.848 0.072 19703 4572 1 9 . 1 1 10 10 ASP N N 10 113.865 113.865 118.029 -4.164 19703 4573 1 9 . 1 1 10 10 ASP HA H 10 4.413 4.413 4.634 -0.221 19703 4574 1 9 . 1 1 10 10 ASP C C 10 177.083 177.083 176.711 0.372 19703 4575 1 9 . 1 1 10 10 ASP CA C 10 53.302 53.302 54.011 -0.709 19703 4576 1 9 . 1 1 10 10 ASP CB C 10 39.571 39.571 40.229 -0.658 19703 4577 1 9 . 1 1 10 10 ASP H H 10 7.667 7.667 8.269 -0.602 19703 4578 1 9 . 1 1 11 11 GLY N N 11 109.808 109.808 108.908 0.900 19703 4579 1 9 . 1 1 11 11 GLY C C 11 174.638 174.638 174.344 0.294 19703 4580 1 9 . 1 1 11 11 GLY CA C 11 44.844 44.844 45.740 -0.896 19703 4581 1 9 . 1 1 11 11 GLY H H 11 8.538 8.538 7.733 0.805 19703 4582 1 9 . 1 1 12 12 SER N N 12 118.381 118.381 114.518 3.863 19703 4583 1 9 . 1 1 12 12 SER HA H 12 4.224 4.224 4.780 -0.556 19703 4584 1 9 . 1 1 12 12 SER C C 12 172.370 172.370 173.518 -1.148 19703 4585 1 9 . 1 1 12 12 SER CA C 12 59.344 59.344 57.583 1.761 19703 4586 1 9 . 1 1 12 12 SER CB C 12 63.909 63.909 64.185 -0.276 19703 4587 1 9 . 1 1 12 12 SER H H 12 8.233 8.233 7.850 0.383 19703 4588 1 9 . 1 1 13 13 ARG N N 13 119.429 119.429 119.207 0.222 19703 4589 1 9 . 1 1 13 13 ARG HA H 13 5.322 5.322 5.290 0.032 19703 4590 1 9 . 1 1 13 13 ARG C C 13 175.622 175.622 175.107 0.515 19703 4591 1 9 . 1 1 13 13 ARG CA C 13 54.652 54.652 54.917 -0.265 19703 4592 1 9 . 1 1 13 13 ARG CB C 13 33.616 33.616 33.082 0.534 19703 4593 1 9 . 1 1 13 13 ARG H H 13 8.386 8.386 8.347 0.039 19703 4594 1 9 . 1 1 14 14 LYS N N 14 122.872 122.872 125.093 -2.221 19703 4595 1 9 . 1 1 14 14 LYS HA H 14 4.409 4.409 4.814 -0.405 19703 4596 1 9 . 1 1 14 14 LYS C C 14 173.900 173.900 175.383 -1.483 19703 4597 1 9 . 1 1 14 14 LYS CA C 14 55.236 55.236 55.509 -0.273 19703 4598 1 9 . 1 1 14 14 LYS CB C 14 37.200 37.200 35.886 1.314 19703 4599 1 9 . 1 1 14 14 LYS H H 14 8.313 8.313 9.019 -0.706 19703 4600 1 9 . 1 1 15 15 THR N N 15 119.577 119.577 118.814 0.763 19703 4601 1 9 . 1 1 15 15 THR HA H 15 5.021 5.021 4.644 0.377 19703 4602 1 9 . 1 1 15 15 THR C C 15 173.125 173.125 173.427 -0.302 19703 4603 1 9 . 1 1 15 15 THR CA C 15 61.744 61.744 61.713 0.031 19703 4604 1 9 . 1 1 15 15 THR CB C 15 70.674 70.674 69.625 1.049 19703 4605 1 9 . 1 1 15 15 THR H H 15 8.058 8.058 8.517 -0.459 19703 4606 1 9 . 1 1 16 16 TYR N N 16 124.739 124.739 126.079 -1.340 19703 4607 1 9 . 1 1 16 16 TYR HA H 16 4.793 4.793 4.719 0.074 19703 4608 1 9 . 1 1 16 16 TYR C C 16 174.110 174.110 174.547 -0.437 19703 4609 1 9 . 1 1 16 16 TYR CA C 16 56.177 56.177 57.629 -1.452 19703 4610 1 9 . 1 1 16 16 TYR CB C 16 43.856 43.856 42.813 1.043 19703 4611 1 9 . 1 1 16 16 TYR H H 16 9.192 9.192 8.045 1.147 19703 4612 1 9 . 1 1 17 17 GLU N N 17 120.492 120.492 125.384 -4.892 19703 4613 1 9 . 1 1 17 17 GLU HA H 17 4.402 4.402 4.442 -0.040 19703 4614 1 9 . 1 1 17 17 GLU C C 17 175.431 175.431 175.394 0.037 19703 4615 1 9 . 1 1 17 17 GLU CA C 17 55.885 55.885 57.340 -1.455 19703 4616 1 9 . 1 1 17 17 GLU CB C 17 30.772 30.772 29.881 0.890 19703 4617 1 9 . 1 1 17 17 GLU H H 17 8.485 8.485 8.783 -0.298 19703 4618 1 9 . 1 1 18 18 ALA N N 18 127.314 127.314 127.225 0.089 19703 4619 1 9 . 1 1 18 18 ALA HA H 18 4.289 4.289 4.712 -0.423 19703 4620 1 9 . 1 1 18 18 ALA C C 18 176.561 176.561 175.543 1.018 19703 4621 1 9 . 1 1 18 18 ALA CA C 18 50.368 50.368 51.133 -0.765 19703 4622 1 9 . 1 1 18 18 ALA CB C 18 22.174 22.174 22.028 0.146 19703 4623 1 9 . 1 1 18 18 ALA H H 18 8.394 8.394 7.937 0.457 19703 4624 1 9 . 1 1 19 19 TYR N N 19 118.845 118.845 117.862 0.983 19703 4625 1 9 . 1 1 19 19 TYR HA H 19 4.698 4.698 4.674 0.024 19703 4626 1 9 . 1 1 19 19 TYR C C 19 175.697 175.697 174.758 0.939 19703 4627 1 9 . 1 1 19 19 TYR CA C 19 55.217 55.217 57.369 -2.152 19703 4628 1 9 . 1 1 19 19 TYR CB C 19 38.407 38.407 41.683 -3.276 19703 4629 1 9 . 1 1 19 19 TYR H H 19 8.588 8.588 8.676 -0.088 19703 4630 1 9 . 1 1 20 20 ASP N N 20 121.106 121.106 120.829 0.277 19703 4631 1 9 . 1 1 20 20 ASP HA H 20 4.176 4.176 4.669 -0.493 19703 4632 1 9 . 1 1 20 20 ASP C C 20 176.460 176.460 176.533 -0.073 19703 4633 1 9 . 1 1 20 20 ASP CA C 20 55.993 55.993 55.526 0.467 19703 4634 1 9 . 1 1 20 20 ASP CB C 20 41.290 41.290 40.227 1.063 19703 4635 1 9 . 1 1 20 20 ASP H H 20 8.280 8.280 8.623 -0.343 19703 4636 1 9 . 1 1 21 21 GLY N N 21 115.001 115.001 115.540 -0.539 19703 4637 1 9 . 1 1 21 21 GLY C C 21 173.948 173.948 174.313 -0.365 19703 4638 1 9 . 1 1 21 21 GLY CA C 21 45.288 45.288 45.670 -0.382 19703 4639 1 9 . 1 1 21 21 GLY H H 21 9.011 9.011 8.309 0.702 19703 4640 1 9 . 1 1 22 22 GLU N N 22 121.980 121.980 121.044 0.936 19703 4641 1 9 . 1 1 22 22 GLU HA H 22 4.517 4.517 4.597 -0.080 19703 4642 1 9 . 1 1 22 22 GLU C C 22 175.114 175.114 176.618 -1.504 19703 4643 1 9 . 1 1 22 22 GLU CA C 22 55.077 55.077 54.907 0.170 19703 4644 1 9 . 1 1 22 22 GLU CB C 22 30.747 30.747 30.819 -0.072 19703 4645 1 9 . 1 1 22 22 GLU H H 22 7.856 7.856 7.519 0.337 19703 4646 1 9 . 1 1 23 23 THR N N 23 110.390 110.390 119.957 -9.567 19703 4647 1 9 . 1 1 23 23 THR HA H 23 5.382 5.382 4.246 1.136 19703 4648 1 9 . 1 1 23 23 THR C C 23 176.857 176.857 175.581 1.276 19703 4649 1 9 . 1 1 23 23 THR CA C 23 60.549 60.549 62.100 -1.551 19703 4650 1 9 . 1 1 23 23 THR CB C 23 72.554 72.554 69.871 2.683 19703 4651 1 9 . 1 1 23 23 THR H H 23 8.234 8.234 8.497 -0.263 19703 4652 1 9 . 1 1 24 24 LEU N N 24 120.243 120.243 124.248 -4.005 19703 4653 1 9 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.185 -0.163 19703 4654 1 9 . 1 1 24 24 LEU C C 24 178.102 178.102 177.899 0.203 19703 4655 1 9 . 1 1 24 24 LEU CA C 24 58.076 58.076 57.157 0.919 19703 4656 1 9 . 1 1 24 24 LEU CB C 24 41.982 41.982 42.061 -0.079 19703 4657 1 9 . 1 1 24 24 LEU H H 24 8.410 8.410 8.754 -0.344 19703 4658 1 9 . 1 1 25 25 LEU N N 25 116.005 116.005 120.137 -4.132 19703 4659 1 9 . 1 1 25 25 LEU HA H 25 3.772 3.772 3.858 -0.086 19703 4660 1 9 . 1 1 25 25 LEU C C 25 176.517 176.517 178.272 -1.755 19703 4661 1 9 . 1 1 25 25 LEU CA C 25 57.593 57.593 58.188 -0.595 19703 4662 1 9 . 1 1 25 25 LEU CB C 25 42.559 42.559 41.625 0.934 19703 4663 1 9 . 1 1 25 25 LEU H H 25 6.645 6.645 7.411 -0.766 19703 4664 1 9 . 1 1 26 26 SER N N 26 115.141 115.141 114.309 0.832 19703 4665 1 9 . 1 1 26 26 SER HA H 26 4.061 4.061 4.163 -0.102 19703 4666 1 9 . 1 1 26 26 SER C C 26 177.287 177.287 175.903 1.384 19703 4667 1 9 . 1 1 26 26 SER CA C 26 61.413 61.413 61.369 0.044 19703 4668 1 9 . 1 1 26 26 SER CB C 26 62.377 62.377 62.971 -0.594 19703 4669 1 9 . 1 1 26 26 SER H H 26 7.847 7.847 8.098 -0.251 19703 4670 1 9 . 1 1 27 27 LEU N N 27 122.244 122.244 122.508 -0.264 19703 4671 1 9 . 1 1 27 27 LEU HA H 27 3.837 3.837 4.065 -0.228 19703 4672 1 9 . 1 1 27 27 LEU C C 27 179.116 179.116 178.021 1.095 19703 4673 1 9 . 1 1 27 27 LEU CA C 27 58.435 58.435 57.756 0.679 19703 4674 1 9 . 1 1 27 27 LEU CB C 27 41.586 41.586 41.818 -0.232 19703 4675 1 9 . 1 1 27 27 LEU H H 27 7.869 7.869 7.455 0.414 19703 4676 1 9 . 1 1 28 28 ALA N N 28 120.875 120.875 120.886 -0.011 19703 4677 1 9 . 1 1 28 28 ALA HA H 28 3.278 3.278 3.943 -0.665 19703 4678 1 9 . 1 1 28 28 ALA C C 28 179.545 179.545 179.586 -0.041 19703 4679 1 9 . 1 1 28 28 ALA CA C 28 54.696 54.696 55.336 -0.639 19703 4680 1 9 . 1 1 28 28 ALA CB C 28 18.423 18.423 17.736 0.687 19703 4681 1 9 . 1 1 28 28 ALA H H 28 8.002 8.002 7.713 0.289 19703 4682 1 9 . 1 1 29 29 HIS N N 29 117.818 117.818 118.484 -0.666 19703 4683 1 9 . 1 1 29 29 HIS HA H 29 4.538 4.538 4.242 0.296 19703 4684 1 9 . 1 1 29 29 HIS C C 29 178.985 178.985 178.090 0.895 19703 4685 1 9 . 1 1 29 29 HIS CA C 29 57.620 57.620 59.452 -1.832 19703 4686 1 9 . 1 1 29 29 HIS CB C 29 28.961 28.961 29.562 -0.601 19703 4687 1 9 . 1 1 29 29 HIS H H 29 8.587 8.587 7.900 0.687 19703 4688 1 9 . 1 1 30 30 ARG N N 30 118.408 118.408 114.472 3.936 19703 4689 1 9 . 1 1 30 30 ARG HA H 30 4.111 4.111 4.190 -0.079 19703 4690 1 9 . 1 1 30 30 ARG C C 30 176.361 176.361 176.666 -0.305 19703 4691 1 9 . 1 1 30 30 ARG CA C 30 58.818 58.818 58.086 0.732 19703 4692 1 9 . 1 1 30 30 ARG CB C 30 30.001 30.001 30.043 -0.042 19703 4693 1 9 . 1 1 30 30 ARG H H 30 8.264 8.264 7.619 0.645 19703 4694 1 9 . 1 1 31 31 ASN N N 31 114.401 114.401 115.385 -0.984 19703 4695 1 9 . 1 1 31 31 ASN HA H 31 4.578 4.578 4.874 -0.296 19703 4696 1 9 . 1 1 31 31 ASN C C 31 172.703 172.703 174.705 -2.002 19703 4697 1 9 . 1 1 31 31 ASN CA C 31 53.405 53.405 52.591 0.814 19703 4698 1 9 . 1 1 31 31 ASN CB C 31 40.339 40.339 39.235 1.104 19703 4699 1 9 . 1 1 31 31 ASN H H 31 6.906 6.906 7.866 -0.960 19703 4700 1 9 . 1 1 32 32 ASN N N 32 114.697 114.697 114.768 -0.071 19703 4701 1 9 . 1 1 32 32 ASN HA H 32 4.232 4.232 4.203 0.029 19703 4702 1 9 . 1 1 32 32 ASN C C 32 174.118 174.118 173.706 0.412 19703 4703 1 9 . 1 1 32 32 ASN CA C 32 54.845 54.845 54.632 0.213 19703 4704 1 9 . 1 1 32 32 ASN CB C 32 36.966 36.966 36.476 0.490 19703 4705 1 9 . 1 1 32 32 ASN H H 32 7.637 7.637 7.705 -0.068 19703 4706 1 9 . 1 1 33 33 VAL N N 33 119.649 119.649 118.521 1.128 19703 4707 1 9 . 1 1 33 33 VAL HA H 33 3.508 3.508 4.114 -0.606 19703 4708 1 9 . 1 1 33 33 VAL C C 33 176.639 176.639 174.207 2.432 19703 4709 1 9 . 1 1 33 33 VAL CA C 33 62.163 62.163 60.243 1.920 19703 4710 1 9 . 1 1 33 33 VAL CB C 33 31.566 31.566 34.167 -2.601 19703 4711 1 9 . 1 1 33 33 VAL H H 33 8.003 8.003 7.672 0.331 19703 4712 1 9 . 1 1 34 34 ASP N N 34 128.347 128.347 125.932 2.415 19703 4713 1 9 . 1 1 34 34 ASP HA H 34 4.381 4.381 4.746 -0.365 19703 4714 1 9 . 1 1 34 34 ASP C C 34 172.933 172.933 175.155 -2.222 19703 4715 1 9 . 1 1 34 34 ASP CA C 34 54.311 54.311 53.831 0.480 19703 4716 1 9 . 1 1 34 34 ASP CB C 34 39.063 39.063 41.559 -2.497 19703 4717 1 9 . 1 1 34 34 ASP H H 34 8.469 8.469 8.336 0.133 19703 4718 1 9 . 1 1 35 35 LEU N N 35 127.456 127.456 123.276 4.180 19703 4719 1 9 . 1 1 35 35 LEU HA H 35 4.391 4.391 4.603 -0.212 19703 4720 1 9 . 1 1 35 35 LEU C C 35 174.747 174.747 176.627 -1.880 19703 4721 1 9 . 1 1 35 35 LEU CA C 35 54.105 54.105 53.398 0.708 19703 4722 1 9 . 1 1 35 35 LEU H H 35 7.864 7.864 8.224 -0.360 19703 4723 1 9 . 1 1 49 49 HIS HA H 49 4.857 4.857 4.525 0.332 19703 4724 1 9 . 1 1 49 49 HIS C C 49 173.176 173.176 173.788 -0.612 19703 4725 1 9 . 1 1 49 49 HIS CA C 49 55.342 55.342 56.624 -1.282 19703 4726 1 9 . 1 1 49 49 HIS CB C 49 29.958 29.958 29.799 0.159 19703 4727 1 9 . 1 1 50 50 VAL N N 50 119.554 119.554 114.903 4.651 19703 4728 1 9 . 1 1 50 50 VAL HA H 50 4.327 4.327 4.644 -0.317 19703 4729 1 9 . 1 1 50 50 VAL C C 50 172.122 172.122 174.344 -2.222 19703 4730 1 9 . 1 1 50 50 VAL CA C 50 59.245 59.245 58.451 0.794 19703 4731 1 9 . 1 1 50 50 VAL CB C 50 35.976 35.976 34.973 1.003 19703 4732 1 9 . 1 1 50 50 VAL H H 50 9.210 9.210 8.169 1.041 19703 4733 1 9 . 1 1 51 51 ILE N N 51 121.739 121.739 121.870 -0.131 19703 4734 1 9 . 1 1 51 51 ILE HA H 51 4.021 4.021 4.031 -0.010 19703 4735 1 9 . 1 1 51 51 ILE C C 51 175.868 175.868 175.344 0.524 19703 4736 1 9 . 1 1 51 51 ILE CA C 51 61.108 61.108 61.839 -0.731 19703 4737 1 9 . 1 1 51 51 ILE CB C 51 39.340 39.340 36.937 2.403 19703 4738 1 9 . 1 1 51 51 ILE H H 51 8.279 8.279 8.443 -0.164 19703 4739 1 9 . 1 1 52 52 ILE N N 52 126.048 126.048 125.239 0.809 19703 4740 1 9 . 1 1 52 52 ILE HA H 52 4.027 4.027 4.561 -0.534 19703 4741 1 9 . 1 1 52 52 ILE C C 52 176.343 176.343 174.528 1.815 19703 4742 1 9 . 1 1 52 52 ILE CA C 52 58.856 58.856 58.186 0.670 19703 4743 1 9 . 1 1 52 52 ILE CB C 52 35.576 35.576 41.153 -5.577 19703 4744 1 9 . 1 1 52 52 ILE H H 52 8.454 8.454 7.978 0.476 19703 4745 1 9 . 1 1 53 53 ASP N N 53 127.679 127.679 117.765 9.914 19703 4746 1 9 . 1 1 53 53 ASP C C 53 176.811 176.811 176.347 0.464 19703 4747 1 9 . 1 1 53 53 ASP CA C 53 54.125 54.125 53.304 0.821 19703 4748 1 9 . 1 1 53 53 ASP CB C 53 44.609 44.609 40.787 3.822 19703 4749 1 9 . 1 1 53 53 ASP H H 53 7.698 7.698 8.359 -0.661 19703 4750 1 9 . 1 1 54 54 PRO HA H 54 4.188 4.188 4.452 -0.264 19703 4751 1 9 . 1 1 54 54 PRO C C 54 178.175 178.175 177.941 0.234 19703 4752 1 9 . 1 1 54 54 PRO CA C 54 66.346 66.346 64.939 1.407 19703 4753 1 9 . 1 1 54 54 PRO CB C 54 32.210 32.210 32.077 0.133 19703 4754 1 9 . 1 1 55 55 SER N N 55 113.470 113.470 113.938 -0.468 19703 4755 1 9 . 1 1 55 55 SER HA H 55 4.282 4.282 4.511 -0.229 19703 4756 1 9 . 1 1 55 55 SER C C 55 174.884 174.884 175.531 -0.647 19703 4757 1 9 . 1 1 55 55 SER CA C 55 61.090 61.090 61.064 0.026 19703 4758 1 9 . 1 1 55 55 SER CB C 55 62.971 62.971 62.964 0.007 19703 4759 1 9 . 1 1 55 55 SER H H 55 8.853 8.853 8.491 0.362 19703 4760 1 9 . 1 1 56 56 TRP N N 56 120.568 120.568 121.548 -0.980 19703 4761 1 9 . 1 1 56 56 TRP HA H 56 4.467 4.467 4.782 -0.315 19703 4762 1 9 . 1 1 56 56 TRP C C 56 176.386 176.386 177.315 -0.929 19703 4763 1 9 . 1 1 56 56 TRP CA C 56 58.465 58.465 58.015 0.450 19703 4764 1 9 . 1 1 56 56 TRP CB C 56 33.371 33.371 29.727 3.644 19703 4765 1 9 . 1 1 56 56 TRP H H 56 8.656 8.656 7.745 0.911 19703 4766 1 9 . 1 1 57 57 TYR N N 57 121.686 121.686 122.120 -0.434 19703 4767 1 9 . 1 1 57 57 TYR HA H 57 3.716 3.716 4.058 -0.342 19703 4768 1 9 . 1 1 57 57 TYR C C 57 176.621 176.621 176.992 -0.371 19703 4769 1 9 . 1 1 57 57 TYR CA C 57 64.137 64.137 61.185 2.952 19703 4770 1 9 . 1 1 57 57 TYR CB C 57 38.967 38.967 38.059 0.908 19703 4771 1 9 . 1 1 57 57 TYR H H 57 7.329 7.329 7.989 -0.660 19703 4772 1 9 . 1 1 58 58 ASP N N 58 119.983 119.983 118.075 1.908 19703 4773 1 9 . 1 1 58 58 ASP HA H 58 4.390 4.390 4.081 0.309 19703 4774 1 9 . 1 1 58 58 ASP C C 58 178.509 178.509 178.128 0.381 19703 4775 1 9 . 1 1 58 58 ASP CA C 58 57.914 57.914 56.245 1.669 19703 4776 1 9 . 1 1 58 58 ASP CB C 58 39.741 39.741 40.425 -0.684 19703 4777 1 9 . 1 1 58 58 ASP H H 58 9.033 9.033 8.483 0.550 19703 4778 1 9 . 1 1 59 59 ILE N N 59 122.534 122.534 119.743 2.791 19703 4779 1 9 . 1 1 59 59 ILE HA H 59 3.809 3.809 3.776 0.033 19703 4780 1 9 . 1 1 59 59 ILE C C 59 178.418 178.418 177.705 0.713 19703 4781 1 9 . 1 1 59 59 ILE CA C 59 64.650 64.650 64.511 0.139 19703 4782 1 9 . 1 1 59 59 ILE CB C 59 38.514 38.514 38.462 0.052 19703 4783 1 9 . 1 1 59 59 ILE H H 59 7.894 7.894 7.480 0.414 19703 4784 1 9 . 1 1 60 60 VAL N N 60 118.811 118.811 115.786 3.025 19703 4785 1 9 . 1 1 60 60 VAL HA H 60 3.459 3.459 3.862 -0.403 19703 4786 1 9 . 1 1 60 60 VAL C C 60 178.294 178.294 176.831 1.463 19703 4787 1 9 . 1 1 60 60 VAL CA C 60 67.819 67.819 65.915 1.904 19703 4788 1 9 . 1 1 60 60 VAL CB C 60 31.268 31.268 31.847 -0.579 19703 4789 1 9 . 1 1 60 60 VAL H H 60 8.265 8.265 8.416 -0.151 19703 4790 1 9 . 1 1 61 61 GLU N N 61 121.332 121.332 118.483 2.849 19703 4791 1 9 . 1 1 61 61 GLU HA H 61 3.625 3.625 4.061 -0.436 19703 4792 1 9 . 1 1 61 61 GLU C C 61 177.407 177.407 177.323 0.084 19703 4793 1 9 . 1 1 61 61 GLU CA C 61 59.055 59.055 58.709 0.346 19703 4794 1 9 . 1 1 61 61 GLU CB C 61 28.425 28.425 29.827 -1.402 19703 4795 1 9 . 1 1 61 61 GLU H H 61 8.036 8.036 8.260 -0.224 19703 4796 1 9 . 1 1 62 62 GLN N N 62 117.653 117.653 115.120 2.533 19703 4797 1 9 . 1 1 62 62 GLN HA H 62 3.734 3.734 4.196 -0.462 19703 4798 1 9 . 1 1 62 62 GLN C C 62 177.586 177.586 177.162 0.424 19703 4799 1 9 . 1 1 62 62 GLN CA C 62 58.476 58.476 57.570 0.906 19703 4800 1 9 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.875 -0.774 19703 4801 1 9 . 1 1 62 62 GLN H H 62 7.912 7.912 7.242 0.670 19703 4802 1 9 . 1 1 63 63 HIS N N 63 113.347 113.347 119.221 -5.874 19703 4803 1 9 . 1 1 63 63 HIS HA H 63 4.438 4.438 4.631 -0.193 19703 4804 1 9 . 1 1 63 63 HIS C C 63 177.626 177.626 173.764 3.862 19703 4805 1 9 . 1 1 63 63 HIS CA C 63 56.824 56.824 56.020 0.804 19703 4806 1 9 . 1 1 63 63 HIS CB C 63 31.805 31.805 30.419 1.385 19703 4807 1 9 . 1 1 63 63 HIS H H 63 6.929 6.929 8.079 -1.150 19703 4808 1 9 . 1 1 64 64 ASN N N 64 121.506 121.506 117.706 3.800 19703 4809 1 9 . 1 1 64 64 ASN HA H 64 5.081 5.081 4.744 0.337 19703 4810 1 9 . 1 1 64 64 ASN C C 64 172.577 172.577 173.350 -0.773 19703 4811 1 9 . 1 1 64 64 ASN CA C 64 52.317 52.317 52.565 -0.248 19703 4812 1 9 . 1 1 64 64 ASN CB C 64 40.113 40.113 41.449 -1.336 19703 4813 1 9 . 1 1 64 64 ASN H H 64 7.875 7.875 7.615 0.260 19703 4814 1 9 . 1 1 65 65 GLU N N 65 126.101 126.101 122.523 3.578 19703 4815 1 9 . 1 1 65 65 GLU HA H 65 4.132 4.132 4.652 -0.520 19703 4816 1 9 . 1 1 65 65 GLU C C 65 176.297 176.297 175.562 0.735 19703 4817 1 9 . 1 1 65 65 GLU CA C 65 57.575 57.575 55.414 2.161 19703 4818 1 9 . 1 1 65 65 GLU CB C 65 30.195 30.195 31.457 -1.262 19703 4819 1 9 . 1 1 65 65 GLU H H 65 8.791 8.791 8.478 0.313 19703 4820 1 9 . 1 1 66 66 ILE N N 66 125.274 125.274 118.260 7.014 19703 4821 1 9 . 1 1 66 66 ILE HA H 66 3.995 3.995 4.573 -0.578 19703 4822 1 9 . 1 1 66 66 ILE C C 66 176.257 176.257 175.168 1.089 19703 4823 1 9 . 1 1 66 66 ILE CA C 66 62.046 62.046 60.326 1.720 19703 4824 1 9 . 1 1 66 66 ILE CB C 66 37.899 37.899 39.223 -1.324 19703 4825 1 9 . 1 1 66 66 ILE H H 66 8.973 8.973 8.217 0.756 19703 4826 1 9 . 1 1 67 67 SER N N 67 125.487 125.487 120.040 5.447 19703 4827 1 9 . 1 1 67 67 SER HA H 67 4.439 4.439 4.633 -0.194 19703 4828 1 9 . 1 1 67 67 SER C C 67 174.736 174.736 175.061 -0.325 19703 4829 1 9 . 1 1 67 67 SER CA C 67 58.127 58.127 57.279 0.848 19703 4830 1 9 . 1 1 67 67 SER CB C 67 66.057 66.057 65.311 0.746 19703 4831 1 9 . 1 1 67 67 SER H H 67 8.585 8.585 8.347 0.238 19703 4832 1 9 . 1 1 68 68 ASP N N 68 122.043 122.043 120.603 1.440 19703 4833 1 9 . 1 1 68 68 ASP HA H 68 4.309 4.309 4.409 -0.100 19703 4834 1 9 . 1 1 68 68 ASP C C 68 178.298 178.298 177.452 0.846 19703 4835 1 9 . 1 1 68 68 ASP CA C 68 57.596 57.596 57.456 0.140 19703 4836 1 9 . 1 1 68 68 ASP CB C 68 40.548 40.548 40.800 -0.251 19703 4837 1 9 . 1 1 68 68 ASP H H 68 8.929 8.929 8.724 0.205 19703 4838 1 9 . 1 1 69 69 GLU N N 69 118.225 118.225 117.952 0.273 19703 4839 1 9 . 1 1 69 69 GLU HA H 69 3.960 3.960 4.065 -0.105 19703 4840 1 9 . 1 1 69 69 GLU C C 69 178.938 178.938 178.554 0.384 19703 4841 1 9 . 1 1 69 69 GLU CA C 69 60.728 60.728 59.046 1.682 19703 4842 1 9 . 1 1 69 69 GLU CB C 69 29.492 29.492 29.294 0.198 19703 4843 1 9 . 1 1 69 69 GLU H H 69 8.852 8.852 8.354 0.498 19703 4844 1 9 . 1 1 70 70 GLU N N 70 121.051 121.051 120.385 0.666 19703 4845 1 9 . 1 1 70 70 GLU HA H 70 3.820 3.820 4.132 -0.312 19703 4846 1 9 . 1 1 70 70 GLU C C 70 177.857 177.857 178.837 -0.980 19703 4847 1 9 . 1 1 70 70 GLU CA C 70 59.443 59.443 59.262 0.181 19703 4848 1 9 . 1 1 70 70 GLU CB C 70 28.344 28.344 29.421 -1.077 19703 4849 1 9 . 1 1 70 70 GLU H H 70 7.923 7.923 8.255 -0.332 19703 4850 1 9 . 1 1 71 71 ASN N N 71 118.461 118.461 116.848 1.613 19703 4851 1 9 . 1 1 71 71 ASN HA H 71 4.360 4.360 4.446 -0.086 19703 4852 1 9 . 1 1 71 71 ASN C C 71 177.621 177.621 177.621 0.000 19703 4853 1 9 . 1 1 71 71 ASN CA C 71 56.919 56.919 55.733 1.186 19703 4854 1 9 . 1 1 71 71 ASN CB C 71 38.688 38.688 38.456 0.232 19703 4855 1 9 . 1 1 71 71 ASN H H 71 7.988 7.988 8.349 -0.361 19703 4856 1 9 . 1 1 72 72 ASP N N 72 118.807 118.807 120.309 -1.502 19703 4857 1 9 . 1 1 72 72 ASP HA H 72 4.249 4.249 4.393 -0.143 19703 4858 1 9 . 1 1 72 72 ASP C C 72 178.772 178.772 178.240 0.532 19703 4859 1 9 . 1 1 72 72 ASP CA C 72 57.507 57.507 57.183 0.324 19703 4860 1 9 . 1 1 72 72 ASP CB C 72 40.932 40.932 40.913 0.019 19703 4861 1 9 . 1 1 72 72 ASP H H 72 8.129 8.129 7.517 0.612 19703 4862 1 9 . 1 1 73 73 MET N N 73 117.610 117.610 118.064 -0.454 19703 4863 1 9 . 1 1 73 73 MET HA H 73 4.415 4.415 4.192 0.223 19703 4864 1 9 . 1 1 73 73 MET C C 73 180.694 180.694 178.469 2.225 19703 4865 1 9 . 1 1 73 73 MET CA C 73 56.144 56.144 58.275 -2.131 19703 4866 1 9 . 1 1 73 73 MET CB C 73 34.126 34.126 32.370 1.756 19703 4867 1 9 . 1 1 73 73 MET H H 73 7.523 7.523 7.603 -0.080 19703 4868 1 9 . 1 1 74 74 LEU N N 74 123.258 123.258 118.792 4.466 19703 4869 1 9 . 1 1 74 74 LEU HA H 74 3.768 3.768 4.041 -0.273 19703 4870 1 9 . 1 1 74 74 LEU C C 74 178.471 178.471 178.554 -0.083 19703 4871 1 9 . 1 1 74 74 LEU CA C 74 57.865 57.865 58.376 -0.511 19703 4872 1 9 . 1 1 74 74 LEU CB C 74 41.013 41.013 41.975 -0.962 19703 4873 1 9 . 1 1 74 74 LEU H H 74 8.850 8.850 7.700 1.150 19703 4874 1 9 . 1 1 75 75 ASP N N 75 115.491 115.491 118.489 -2.998 19703 4875 1 9 . 1 1 75 75 ASP HA H 75 4.320 4.320 4.578 -0.258 19703 4876 1 9 . 1 1 75 75 ASP C C 75 177.521 177.521 177.247 0.274 19703 4877 1 9 . 1 1 75 75 ASP CA C 75 57.000 57.000 56.303 0.697 19703 4878 1 9 . 1 1 75 75 ASP CB C 75 41.163 41.163 41.261 -0.098 19703 4879 1 9 . 1 1 75 75 ASP H H 75 7.439 7.439 7.996 -0.557 19703 4880 1 9 . 1 1 76 76 LEU N N 76 116.660 116.660 118.709 -2.049 19703 4881 1 9 . 1 1 76 76 LEU HA H 76 4.280 4.280 4.486 -0.206 19703 4882 1 9 . 1 1 76 76 LEU C C 76 177.224 177.224 176.419 0.805 19703 4883 1 9 . 1 1 76 76 LEU CA C 76 54.067 54.067 54.282 -0.215 19703 4884 1 9 . 1 1 76 76 LEU CB C 76 42.211 42.211 41.106 1.105 19703 4885 1 9 . 1 1 76 76 LEU H H 76 7.039 7.039 7.370 -0.331 19703 4886 1 9 . 1 1 77 77 ALA N N 77 123.914 123.914 123.423 0.491 19703 4887 1 9 . 1 1 77 77 ALA HA H 77 4.074 4.074 4.465 -0.391 19703 4888 1 9 . 1 1 77 77 ALA C C 77 177.216 177.216 176.164 1.052 19703 4889 1 9 . 1 1 77 77 ALA CA C 77 52.304 52.304 51.394 0.910 19703 4890 1 9 . 1 1 77 77 ALA CB C 77 18.204 18.204 18.141 0.063 19703 4891 1 9 . 1 1 77 77 ALA H H 77 7.736 7.736 7.165 0.571 19703 4892 1 9 . 1 1 78 78 PHE N N 78 122.688 122.688 125.090 -2.402 19703 4893 1 9 . 1 1 78 78 PHE HA H 78 4.415 4.415 4.405 0.010 19703 4894 1 9 . 1 1 78 78 PHE C C 78 176.460 176.460 176.485 -0.025 19703 4895 1 9 . 1 1 78 78 PHE CA C 78 57.752 57.752 58.201 -0.449 19703 4896 1 9 . 1 1 78 78 PHE CB C 78 39.221 39.221 39.833 -0.612 19703 4897 1 9 . 1 1 78 78 PHE H H 78 8.310 8.310 8.005 0.305 19703 4898 1 9 . 1 1 79 79 GLY N N 79 112.822 112.822 115.377 -2.555 19703 4899 1 9 . 1 1 79 79 GLY C C 79 174.510 174.510 173.598 0.912 19703 4900 1 9 . 1 1 79 79 GLY CA C 79 46.279 46.279 44.476 1.803 19703 4901 1 9 . 1 1 79 79 GLY H H 79 8.383 8.383 8.207 0.176 19703 4902 1 9 . 1 1 80 80 LEU N N 80 118.988 118.988 122.962 -3.974 19703 4903 1 9 . 1 1 80 80 LEU HA H 80 3.754 3.754 4.273 -0.519 19703 4904 1 9 . 1 1 80 80 LEU C C 80 176.528 176.528 176.882 -0.354 19703 4905 1 9 . 1 1 80 80 LEU CA C 80 56.497 56.497 55.390 1.107 19703 4906 1 9 . 1 1 80 80 LEU CB C 80 42.808 42.808 42.815 -0.007 19703 4907 1 9 . 1 1 80 80 LEU H H 80 6.978 6.978 7.700 -0.722 19703 4908 1 9 . 1 1 81 81 THR N N 81 118.057 118.057 114.030 4.027 19703 4909 1 9 . 1 1 81 81 THR HA H 81 4.857 4.857 4.344 0.513 19703 4910 1 9 . 1 1 81 81 THR C C 81 175.739 175.739 174.477 1.262 19703 4911 1 9 . 1 1 81 81 THR CA C 81 60.194 60.194 60.173 0.021 19703 4912 1 9 . 1 1 81 81 THR CB C 81 73.868 73.868 69.580 4.288 19703 4913 1 9 . 1 1 81 81 THR H H 81 9.176 9.176 7.923 1.253 19703 4914 1 9 . 1 1 82 82 ASP N N 82 118.080 118.080 117.848 0.232 19703 4915 1 9 . 1 1 82 82 ASP HA H 82 4.379 4.379 4.391 -0.012 19703 4916 1 9 . 1 1 82 82 ASP C C 82 176.700 176.700 176.111 0.589 19703 4917 1 9 . 1 1 82 82 ASP CA C 82 55.835 55.835 55.740 0.095 19703 4918 1 9 . 1 1 82 82 ASP CB C 82 40.675 40.675 40.422 0.253 19703 4919 1 9 . 1 1 82 82 ASP H H 82 8.679 8.679 8.570 0.109 19703 4920 1 9 . 1 1 83 83 THR N N 83 107.059 107.059 107.077 -0.018 19703 4921 1 9 . 1 1 83 83 THR HA H 83 4.253 4.253 3.924 0.329 19703 4922 1 9 . 1 1 83 83 THR C C 83 174.494 174.494 174.291 0.203 19703 4923 1 9 . 1 1 83 83 THR CA C 83 59.749 59.749 62.360 -2.611 19703 4924 1 9 . 1 1 83 83 THR CB C 83 66.801 66.801 69.522 -2.721 19703 4925 1 9 . 1 1 83 83 THR H H 83 7.893 7.893 7.372 0.521 19703 4926 1 9 . 1 1 84 84 SER N N 84 121.526 121.526 117.355 4.171 19703 4927 1 9 . 1 1 84 84 SER HA H 84 5.080 5.080 4.339 0.741 19703 4928 1 9 . 1 1 84 84 SER C C 84 173.561 173.561 173.963 -0.402 19703 4929 1 9 . 1 1 84 84 SER CA C 84 61.844 61.844 58.311 3.533 19703 4930 1 9 . 1 1 84 84 SER CB C 84 64.933 64.933 63.736 1.196 19703 4931 1 9 . 1 1 84 84 SER H H 84 6.993 6.993 7.484 -0.491 19703 4932 1 9 . 1 1 85 85 ARG N N 85 118.632 118.632 127.523 -8.891 19703 4933 1 9 . 1 1 85 85 ARG HA H 85 4.809 4.809 4.625 0.184 19703 4934 1 9 . 1 1 85 85 ARG C C 85 175.213 175.213 175.589 -0.376 19703 4935 1 9 . 1 1 85 85 ARG CA C 85 52.209 52.209 53.977 -1.768 19703 4936 1 9 . 1 1 85 85 ARG CB C 85 35.685 35.685 31.487 4.198 19703 4937 1 9 . 1 1 85 85 ARG H H 85 9.358 9.358 8.706 0.652 19703 4938 1 9 . 1 1 86 86 LEU N N 86 120.203 120.203 121.782 -1.579 19703 4939 1 9 . 1 1 86 86 LEU H H 86 9.122 9.122 9.240 -0.118 19703 4940 1 9 . 1 1 89 89 GLN HA H 89 4.188 4.188 4.475 -0.287 19703 4941 1 9 . 1 1 89 89 GLN C C 89 173.992 173.992 174.996 -1.004 19703 4942 1 9 . 1 1 89 89 GLN CA C 89 53.850 53.850 54.492 -0.642 19703 4943 1 9 . 1 1 89 89 GLN CB C 89 29.721 29.721 29.412 0.309 19703 4944 1 9 . 1 1 90 90 ILE N N 90 117.060 117.060 118.394 -1.334 19703 4945 1 9 . 1 1 90 90 ILE HA H 90 3.787 3.787 3.735 0.052 19703 4946 1 9 . 1 1 90 90 ILE C C 90 173.762 173.762 174.501 -0.739 19703 4947 1 9 . 1 1 90 90 ILE CA C 90 58.765 58.765 61.855 -3.090 19703 4948 1 9 . 1 1 90 90 ILE CB C 90 37.268 37.268 35.862 1.406 19703 4949 1 9 . 1 1 90 90 ILE H H 90 6.736 6.736 8.130 -1.394 19703 4950 1 9 . 1 1 91 91 ILE N N 91 128.173 128.173 119.756 8.417 19703 4951 1 9 . 1 1 91 91 ILE HA H 91 3.895 3.895 4.562 -0.667 19703 4952 1 9 . 1 1 91 91 ILE C C 91 175.955 175.955 175.604 0.351 19703 4953 1 9 . 1 1 91 91 ILE CA C 91 60.160 60.160 58.978 1.182 19703 4954 1 9 . 1 1 91 91 ILE CB C 91 37.104 37.104 38.983 -1.879 19703 4955 1 9 . 1 1 91 91 ILE H H 91 8.157 8.157 7.892 0.265 19703 4956 1 9 . 1 1 92 92 LEU N N 92 127.403 127.403 127.809 -0.406 19703 4957 1 9 . 1 1 92 92 LEU HA H 92 4.105 4.105 4.316 -0.211 19703 4958 1 9 . 1 1 92 92 LEU C C 92 174.391 174.391 176.677 -2.286 19703 4959 1 9 . 1 1 92 92 LEU CA C 92 54.805 54.805 55.933 -1.128 19703 4960 1 9 . 1 1 92 92 LEU CB C 92 40.594 40.594 42.356 -1.762 19703 4961 1 9 . 1 1 92 92 LEU H H 92 8.979 8.979 8.752 0.227 19703 4962 1 9 . 1 1 93 93 THR N N 93 110.385 110.385 109.797 0.588 19703 4963 1 9 . 1 1 93 93 THR HA H 93 4.760 4.760 4.834 -0.074 19703 4964 1 9 . 1 1 93 93 THR C C 93 176.119 176.119 174.942 1.177 19703 4965 1 9 . 1 1 93 93 THR CA C 93 59.059 59.059 60.230 -1.171 19703 4966 1 9 . 1 1 93 93 THR CB C 93 72.517 72.517 70.729 1.788 19703 4967 1 9 . 1 1 93 93 THR H H 93 6.270 6.270 8.035 -1.765 19703 4968 1 9 . 1 1 94 94 LYS N N 94 120.484 120.484 125.110 -4.626 19703 4969 1 9 . 1 1 94 94 LYS HA H 94 3.684 3.684 3.985 -0.301 19703 4970 1 9 . 1 1 94 94 LYS C C 94 177.634 177.634 177.969 -0.335 19703 4971 1 9 . 1 1 94 94 LYS CA C 94 59.586 59.586 59.117 0.469 19703 4972 1 9 . 1 1 94 94 LYS CB C 94 31.690 31.690 32.182 -0.492 19703 4973 1 9 . 1 1 94 94 LYS H H 94 9.071 9.071 8.935 0.136 19703 4974 1 9 . 1 1 95 95 GLU N N 95 118.365 118.365 119.257 -0.892 19703 4975 1 9 . 1 1 95 95 GLU HA H 95 3.960 3.960 4.117 -0.157 19703 4976 1 9 . 1 1 95 95 GLU C C 95 176.639 176.639 177.878 -1.239 19703 4977 1 9 . 1 1 95 95 GLU CA C 95 59.480 59.480 58.890 0.590 19703 4978 1 9 . 1 1 95 95 GLU CB C 95 28.224 28.224 29.612 -1.388 19703 4979 1 9 . 1 1 95 95 GLU H H 95 8.422 8.422 7.700 0.722 19703 4980 1 9 . 1 1 96 96 LEU N N 96 116.407 116.407 119.027 -2.620 19703 4981 1 9 . 1 1 96 96 LEU HA H 96 4.453 4.453 4.448 0.005 19703 4982 1 9 . 1 1 96 96 LEU C C 96 174.106 174.106 176.048 -1.942 19703 4983 1 9 . 1 1 96 96 LEU CA C 96 53.499 53.499 53.989 -0.490 19703 4984 1 9 . 1 1 96 96 LEU CB C 96 40.899 40.899 41.453 -0.554 19703 4985 1 9 . 1 1 96 96 LEU H H 96 7.727 7.727 7.630 0.097 19703 4986 1 9 . 1 1 97 97 ASP N N 97 116.722 116.722 120.194 -3.472 19703 4987 1 9 . 1 1 97 97 ASP HA H 97 4.012 4.012 4.460 -0.448 19703 4988 1 9 . 1 1 97 97 ASP C C 97 175.803 175.803 177.407 -1.604 19703 4989 1 9 . 1 1 97 97 ASP CA C 97 56.511 56.511 54.459 2.052 19703 4990 1 9 . 1 1 97 97 ASP CB C 97 41.691 41.691 39.932 1.759 19703 4991 1 9 . 1 1 97 97 ASP H H 97 7.046 7.046 7.917 -0.871 19703 4992 1 9 . 1 1 98 98 GLY N N 98 117.545 117.545 113.792 3.753 19703 4993 1 9 . 1 1 98 98 GLY C C 98 173.481 173.481 173.914 -0.433 19703 4994 1 9 . 1 1 98 98 GLY CA C 98 44.602 44.602 45.539 -0.937 19703 4995 1 9 . 1 1 98 98 GLY H H 98 8.957 8.957 8.209 0.748 19703 4996 1 9 . 1 1 99 99 LEU N N 99 122.555 122.555 121.655 0.900 19703 4997 1 9 . 1 1 99 99 LEU C C 99 173.036 173.036 175.908 -2.872 19703 4998 1 9 . 1 1 99 99 LEU CA C 99 55.737 55.737 53.439 2.298 19703 4999 1 9 . 1 1 99 99 LEU CB C 99 42.087 42.087 44.436 -2.349 19703 5000 1 9 . 1 1 99 99 LEU H H 99 7.239 7.239 7.547 -0.308 19703 5001 1 9 . 1 1 100 100 CYS N N 100 121.421 121.421 120.377 1.044 19703 5002 1 9 . 1 1 100 100 CYS HA H 100 5.219 5.219 4.881 0.338 19703 5003 1 9 . 1 1 100 100 CYS C C 100 172.184 172.184 174.066 -1.882 19703 5004 1 9 . 1 1 100 100 CYS CA C 100 54.042 54.042 56.772 -2.730 19703 5005 1 9 . 1 1 100 100 CYS CB C 100 45.330 45.330 27.501 17.829 19703 5006 1 9 . 1 1 100 100 CYS H H 100 5.355 5.355 8.377 -3.022 19703 5007 1 9 . 1 1 101 101 VAL N N 101 121.510 121.510 119.628 1.882 19703 5008 1 9 . 1 1 101 101 VAL HA H 101 4.435 4.435 4.595 -0.160 19703 5009 1 9 . 1 1 101 101 VAL C C 101 172.314 172.314 174.306 -1.992 19703 5010 1 9 . 1 1 101 101 VAL CA C 101 59.936 59.936 59.826 0.110 19703 5011 1 9 . 1 1 101 101 VAL CB C 101 34.396 34.396 35.381 -0.985 19703 5012 1 9 . 1 1 101 101 VAL H H 101 8.691 8.691 8.516 0.175 19703 5013 1 9 . 1 1 102 102 ILE N N 102 126.427 126.427 119.488 6.939 19703 5014 1 9 . 1 1 102 102 ILE HA H 102 4.505 4.505 4.212 0.293 19703 5015 1 9 . 1 1 102 102 ILE C C 102 175.584 175.584 176.027 -0.443 19703 5016 1 9 . 1 1 102 102 ILE CA C 102 60.603 60.603 59.283 1.320 19703 5017 1 9 . 1 1 102 102 ILE CB C 102 40.383 40.383 37.973 2.410 19703 5018 1 9 . 1 1 102 102 ILE H H 102 9.582 9.582 8.063 1.519 19703 5019 1 9 . 1 1 103 103 LEU N N 103 127.589 127.589 127.922 -0.333 19703 5020 1 9 . 1 1 103 103 LEU HA H 103 4.665 4.665 4.153 0.512 19703 5021 1 9 . 1 1 103 103 LEU C C 103 174.725 174.725 176.438 -1.713 19703 5022 1 9 . 1 1 103 103 LEU CA C 103 52.048 52.048 54.696 -2.648 19703 5023 1 9 . 1 1 103 103 LEU CB C 103 40.970 40.970 41.954 -0.984 19703 5024 1 9 . 1 1 103 103 LEU H H 103 8.321 8.321 8.384 -0.063 19703 5025 1 9 . 1 1 104 104 PRO HA H 104 4.306 4.306 4.282 0.024 19703 5026 1 9 . 1 1 104 104 PRO C C 104 176.389 176.389 176.227 0.162 19703 5027 1 9 . 1 1 104 104 PRO CA C 104 62.963 62.963 64.497 -1.534 19703 5028 1 9 . 1 1 104 104 PRO CB C 104 32.265 32.265 31.846 0.419 19703 5029 1 9 . 1 1 105 105 THR N N 105 113.257 113.257 111.168 2.089 19703 5030 1 9 . 1 1 105 105 THR HA H 105 4.139 4.139 4.449 -0.310 19703 5031 1 9 . 1 1 105 105 THR C C 105 174.080 174.080 173.528 0.552 19703 5032 1 9 . 1 1 105 105 THR CA C 105 62.593 62.593 59.562 3.031 19703 5033 1 9 . 1 1 105 105 THR CB C 105 69.871 69.871 70.811 -0.940 19703 5034 1 9 . 1 1 105 105 THR H H 105 8.108 8.108 7.421 0.687 19703 5035 1 9 . 1 1 106 106 GLU N N 106 122.035 122.035 119.736 2.299 19703 5036 1 9 . 1 1 106 106 GLU HA H 106 4.352 4.352 4.418 -0.066 19703 5037 1 9 . 1 1 106 106 GLU C C 106 176.012 176.012 175.573 0.439 19703 5038 1 9 . 1 1 106 106 GLU CA C 106 56.393 56.393 55.784 0.609 19703 5039 1 9 . 1 1 106 106 GLU CB C 106 31.113 31.113 29.378 1.735 19703 5040 1 9 . 1 1 106 106 GLU H H 106 8.291 8.291 8.504 -0.213 19703 5041 1 9 . 1 1 107 107 THR N N 107 115.185 115.185 116.867 -1.682 19703 5042 1 9 . 1 1 107 107 THR HA H 107 4.240 4.240 4.487 -0.247 19703 5043 1 9 . 1 1 107 107 THR C C 107 174.345 174.345 174.410 -0.065 19703 5044 1 9 . 1 1 107 107 THR CA C 107 61.839 61.839 62.116 -0.277 19703 5045 1 9 . 1 1 107 107 THR CB C 107 70.027 70.027 69.351 0.676 19703 5046 1 9 . 1 1 107 107 THR H H 107 8.308 8.308 7.753 0.555 19703 5047 1 9 . 1 1 108 108 ARG N N 108 122.789 122.789 123.402 -0.613 19703 5048 1 9 . 1 1 108 108 ARG HA H 108 4.133 4.133 4.428 -0.295 19703 5049 1 9 . 1 1 108 108 ARG C C 108 175.543 175.543 175.874 -0.331 19703 5050 1 9 . 1 1 108 108 ARG CA C 108 56.088 56.088 56.252 -0.164 19703 5051 1 9 . 1 1 108 108 ARG CB C 108 30.906 30.906 30.844 0.062 19703 5052 1 9 . 1 1 108 108 ARG H H 108 8.289 8.289 8.401 -0.112 19703 5053 1 9 . 1 1 109 109 ASN N N 109 120.177 120.177 120.512 -0.335 19703 5054 1 9 . 1 1 109 109 ASN HA H 109 4.579 4.579 4.542 0.037 19703 5055 1 9 . 1 1 109 109 ASN C C 109 175.106 175.106 174.410 0.696 19703 5056 1 9 . 1 1 109 109 ASN CA C 109 53.134 53.134 53.651 -0.517 19703 5057 1 9 . 1 1 109 109 ASN CB C 109 38.735 38.735 37.182 1.553 19703 5058 1 9 . 1 1 109 109 ASN H H 109 8.365 8.365 8.059 0.306 19703 5059 1 9 . 1 1 110 110 ILE N N 110 120.936 120.936 123.766 -2.830 19703 5060 1 9 . 1 1 110 110 ILE HA H 110 4.070 4.070 4.369 -0.299 19703 5061 1 9 . 1 1 110 110 ILE C C 110 175.914 175.914 173.230 2.684 19703 5062 1 9 . 1 1 110 110 ILE CA C 110 61.340 61.340 61.456 -0.116 19703 5063 1 9 . 1 1 110 110 ILE CB C 110 38.861 38.861 39.792 -0.931 19703 5064 1 9 . 1 1 110 110 ILE H H 110 7.983 7.983 7.944 0.039 19703 5065 1 9 . 1 1 111 111 SER N N 111 118.751 118.751 123.222 -4.471 19703 5066 1 9 . 1 1 111 111 SER HA H 111 4.340 4.340 4.847 -0.507 19703 5067 1 9 . 1 1 111 111 SER C C 111 173.977 173.977 172.867 1.110 19703 5068 1 9 . 1 1 111 111 SER CA C 111 58.315 58.315 58.227 0.088 19703 5069 1 9 . 1 1 111 111 SER CB C 111 63.845 63.845 64.406 -0.561 19703 5070 1 9 . 1 1 111 111 SER H H 111 8.176 8.176 8.504 -0.328 19703 5071 1 9 . 1 1 112 112 PHE N N 112 122.536 122.536 123.214 -0.678 19703 5072 1 9 . 1 1 112 112 PHE HA H 112 4.555 4.555 4.731 -0.176 19703 5073 1 9 . 1 1 112 112 PHE C C 112 175.282 175.282 173.997 1.285 19703 5074 1 9 . 1 1 112 112 PHE CA C 112 57.743 57.743 57.675 0.068 19703 5075 1 9 . 1 1 112 112 PHE CB C 112 39.708 39.708 41.044 -1.336 19703 5076 1 9 . 1 1 112 112 PHE H H 112 8.118 8.118 8.248 -0.130 19703 5077 1 9 . 1 1 113 113 VAL N N 113 122.561 122.561 119.019 3.542 19703 5078 1 9 . 1 1 113 113 VAL HA H 113 3.922 3.922 4.368 -0.446 19703 5079 1 9 . 1 1 113 113 VAL C C 113 175.447 175.447 175.676 -0.229 19703 5080 1 9 . 1 1 113 113 VAL CA C 113 62.237 62.237 59.701 2.536 19703 5081 1 9 . 1 1 113 113 VAL CB C 113 32.899 32.899 32.682 0.217 19703 5082 1 9 . 1 1 113 113 VAL H H 113 7.907 7.907 7.533 0.374 19703 5083 1 9 . 1 1 114 114 LYS N N 114 125.629 125.629 120.445 5.184 19703 5084 1 9 . 1 1 114 114 LYS HA H 114 4.208 4.208 4.258 -0.050 19703 5085 1 9 . 1 1 114 114 LYS C C 114 176.039 176.039 175.864 0.175 19703 5086 1 9 . 1 1 114 114 LYS CA C 114 56.316 56.316 57.367 -1.051 19703 5087 1 9 . 1 1 114 114 LYS CB C 114 33.152 33.152 32.705 0.447 19703 5088 1 9 . 1 1 114 114 LYS H H 114 8.283 8.283 8.225 0.059 19703 5089 1 9 . 1 1 115 115 ASN N N 115 121.240 121.240 117.490 3.750 19703 5090 1 9 . 1 1 115 115 ASN HA H 115 4.672 4.672 4.909 -0.237 19703 5091 1 9 . 1 1 115 115 ASN C C 115 174.230 174.230 173.938 0.292 19703 5092 1 9 . 1 1 115 115 ASN CA C 115 53.356 53.356 52.599 0.757 19703 5093 1 9 . 1 1 115 115 ASN CB C 115 39.079 39.079 40.709 -1.629 19703 5094 1 9 . 1 1 115 115 ASN H H 115 8.452 8.452 7.938 0.514 19703 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 93 3.190 -0.713 3.126 19703 2 1 1 "Average Difference" HA 99 0.340 0.077 0.333 19703 3 1 1 "Average Difference" C 98 1.136 0.132 1.134 19703 4 1 1 "Average Difference" CA 98 1.340 -0.117 1.342 19703 5 1 1 "Average Difference" CB 93 2.460 -0.225 2.463 19703 6 1 1 "Average Difference" HN 93 0.737 -0.076 0.737 19703 7 1 2 "Average Difference" N 93 3.139 -0.552 3.107 19703 8 1 2 "Average Difference" HA 99 0.360 0.078 0.353 19703 9 1 2 "Average Difference" C 98 1.123 0.104 1.124 19703 10 1 2 "Average Difference" CA 98 1.248 -0.126 1.248 19703 11 1 2 "Average Difference" CB 93 2.338 -0.254 2.337 19703 12 1 2 "Average Difference" HN 93 0.728 -0.112 0.723 19703 13 1 3 "Average Difference" N 93 3.219 -0.785 3.139 19703 14 1 3 "Average Difference" HA 99 0.344 0.079 0.337 19703 15 1 3 "Average Difference" C 98 1.142 0.052 1.147 19703 16 1 3 "Average Difference" CA 98 1.272 -0.184 1.265 19703 17 1 3 "Average Difference" CB 93 2.345 -0.236 2.345 19703 18 1 3 "Average Difference" HN 93 0.727 -0.101 0.724 19703 19 1 4 "Average Difference" N 93 3.034 -0.649 2.980 19703 20 1 4 "Average Difference" HA 99 0.347 0.067 0.342 19703 21 1 4 "Average Difference" C 98 1.097 0.078 1.099 19703 22 1 4 "Average Difference" CA 98 1.296 -0.159 1.293 19703 23 1 4 "Average Difference" CB 93 2.410 -0.311 2.403 19703 24 1 4 "Average Difference" HN 93 0.731 -0.122 0.724 19703 25 1 5 "Average Difference" N 93 3.217 -0.648 3.169 19703 26 1 5 "Average Difference" HA 99 0.344 0.081 0.336 19703 27 1 5 "Average Difference" C 98 1.131 0.061 1.136 19703 28 1 5 "Average Difference" CA 98 1.306 -0.146 1.304 19703 29 1 5 "Average Difference" CB 93 2.316 -0.353 2.302 19703 30 1 5 "Average Difference" HN 93 0.707 -0.092 0.705 19703 31 1 6 "Average Difference" N 93 3.260 -0.539 3.233 19703 32 1 6 "Average Difference" HA 99 0.360 0.096 0.349 19703 33 1 6 "Average Difference" C 98 1.158 0.083 1.161 19703 34 1 6 "Average Difference" CA 98 1.347 -0.195 1.339 19703 35 1 6 "Average Difference" CB 93 2.401 -0.214 2.404 19703 36 1 6 "Average Difference" HN 93 0.734 -0.069 0.734 19703 37 1 7 "Average Difference" N 93 3.385 -0.647 3.341 19703 38 1 7 "Average Difference" HA 99 0.352 0.073 0.346 19703 39 1 7 "Average Difference" C 98 1.179 0.016 1.185 19703 40 1 7 "Average Difference" CA 98 1.377 -0.235 1.364 19703 41 1 7 "Average Difference" CB 93 2.372 -0.214 2.375 19703 42 1 7 "Average Difference" HN 93 0.726 -0.117 0.721 19703 43 1 8 "Average Difference" N 93 3.418 -0.748 3.354 19703 44 1 8 "Average Difference" HA 99 0.348 0.106 0.333 19703 45 1 8 "Average Difference" C 98 1.125 -0.034 1.130 19703 46 1 8 "Average Difference" CA 98 1.394 -0.216 1.385 19703 47 1 8 "Average Difference" CB 93 2.425 -0.146 2.434 19703 48 1 8 "Average Difference" HN 93 0.709 -0.091 0.707 19703 49 1 9 "Average Difference" N 93 3.309 -0.422 3.300 19703 50 1 9 "Average Difference" HA 99 0.357 0.085 0.348 19703 51 1 9 "Average Difference" C 98 1.160 -0.006 1.166 19703 52 1 9 "Average Difference" CA 98 1.337 -0.190 1.330 19703 53 1 9 "Average Difference" CB 93 2.433 -0.273 2.431 19703 54 1 9 "Average Difference" HN 93 0.702 -0.115 0.697 19703 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 19703 _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 2 2 PRO HA H 2 4.138 4.138 4.484 -0.346 19703 2 1 . 1 1 2 2 PRO C C 2 174.711 174.711 175.220 -0.509 19703 3 1 . 1 1 2 2 PRO CA C 2 61.918 61.918 62.753 -0.835 19703 4 1 . 1 1 2 2 PRO CB C 2 31.604 31.604 32.726 -1.122 19703 5 1 . 1 1 3 3 LEU N N 3 122.430 122.430 119.481 2.949 19703 6 1 . 1 1 3 3 LEU HA H 3 4.840 4.840 4.573 0.267 19703 7 1 . 1 1 3 3 LEU C C 3 176.954 176.954 175.042 1.912 19703 8 1 . 1 1 3 3 LEU CA C 3 53.697 53.697 54.023 -0.326 19703 9 1 . 1 1 3 3 LEU CB C 3 42.404 42.404 45.093 -2.689 19703 10 1 . 1 1 3 3 LEU H H 3 8.745 8.745 8.073 0.672 19703 11 1 . 1 1 4 4 ILE N N 4 125.237 125.237 123.389 1.848 19703 12 1 . 1 1 4 4 ILE HA H 4 4.465 4.465 4.388 0.077 19703 13 1 . 1 1 4 4 ILE C C 4 174.949 174.949 175.029 -0.080 19703 14 1 . 1 1 4 4 ILE CA C 4 57.967 57.967 58.515 -0.548 19703 15 1 . 1 1 4 4 ILE CB C 4 38.795 38.795 39.394 -0.599 19703 16 1 . 1 1 4 4 ILE H H 4 8.824 8.824 7.945 0.879 19703 17 1 . 1 1 5 5 THR N N 5 124.237 124.237 123.190 1.047 19703 18 1 . 1 1 5 5 THR HA H 5 5.133 5.133 4.496 0.637 19703 19 1 . 1 1 5 5 THR C C 5 172.705 172.705 173.666 -0.961 19703 20 1 . 1 1 5 5 THR CA C 5 61.945 61.945 62.220 -0.275 19703 21 1 . 1 1 5 5 THR CB C 5 70.736 70.736 69.033 1.703 19703 22 1 . 1 1 5 5 THR H H 5 8.802 8.802 7.999 0.803 19703 23 1 . 1 1 6 6 PHE N N 6 124.358 124.358 127.603 -3.245 19703 24 1 . 1 1 6 6 PHE HA H 6 5.244 5.244 5.375 -0.131 19703 25 1 . 1 1 6 6 PHE C C 6 176.172 176.172 175.617 0.555 19703 26 1 . 1 1 6 6 PHE CA C 6 56.309 56.309 55.690 0.618 19703 27 1 . 1 1 6 6 PHE CB C 6 42.111 42.111 40.219 1.892 19703 28 1 . 1 1 6 6 PHE H H 6 9.239 9.239 8.181 1.058 19703 29 1 . 1 1 7 7 ILE N N 7 126.251 126.251 124.509 1.742 19703 30 1 . 1 1 7 7 ILE HA H 7 4.847 4.847 4.592 0.255 19703 31 1 . 1 1 7 7 ILE C C 7 176.608 176.608 175.819 0.789 19703 32 1 . 1 1 7 7 ILE CA C 7 60.317 60.317 60.589 -0.272 19703 33 1 . 1 1 7 7 ILE CB C 7 38.252 38.252 39.016 -0.764 19703 34 1 . 1 1 7 7 ILE H H 7 9.509 9.509 8.188 1.321 19703 35 1 . 1 1 8 8 SER N N 8 124.211 124.211 121.413 2.798 19703 36 1 . 1 1 8 8 SER C C 8 174.143 174.143 174.525 -0.382 19703 37 1 . 1 1 8 8 SER CA C 8 59.506 59.506 55.862 3.644 19703 38 1 . 1 1 8 8 SER CB C 8 62.938 62.938 63.641 -0.703 19703 39 1 . 1 1 8 8 SER H H 8 8.880 8.880 8.376 0.504 19703 40 1 . 1 1 9 9 PRO HA H 9 4.326 4.326 4.489 -0.163 19703 41 1 . 1 1 9 9 PRO C C 9 176.530 176.530 176.378 0.152 19703 42 1 . 1 1 9 9 PRO CA C 9 65.685 65.685 64.672 1.013 19703 43 1 . 1 1 9 9 PRO CB C 9 31.920 31.920 31.775 0.145 19703 44 1 . 1 1 10 10 ASP N N 10 113.865 113.865 117.235 -3.370 19703 45 1 . 1 1 10 10 ASP HA H 10 4.413 4.413 4.644 -0.231 19703 46 1 . 1 1 10 10 ASP C C 10 177.083 177.083 176.729 0.354 19703 47 1 . 1 1 10 10 ASP CA C 10 53.302 53.302 53.912 -0.610 19703 48 1 . 1 1 10 10 ASP CB C 10 39.571 39.571 40.525 -0.954 19703 49 1 . 1 1 10 10 ASP H H 10 7.667 7.667 8.202 -0.535 19703 50 1 . 1 1 11 11 GLY N N 11 109.808 109.808 107.654 2.154 19703 51 1 . 1 1 11 11 GLY C C 11 174.638 174.638 174.520 0.118 19703 52 1 . 1 1 11 11 GLY CA C 11 44.844 44.844 45.342 -0.498 19703 53 1 . 1 1 11 11 GLY H H 11 8.538 8.538 7.720 0.818 19703 54 1 . 1 1 12 12 SER N N 12 118.381 118.381 115.749 2.632 19703 55 1 . 1 1 12 12 SER HA H 12 4.224 4.224 4.659 -0.435 19703 56 1 . 1 1 12 12 SER C C 12 172.370 172.370 173.492 -1.122 19703 57 1 . 1 1 12 12 SER CA C 12 59.344 59.344 58.008 1.336 19703 58 1 . 1 1 12 12 SER CB C 12 63.909 63.909 64.205 -0.296 19703 59 1 . 1 1 12 12 SER H H 12 8.233 8.233 7.846 0.387 19703 60 1 . 1 1 13 13 ARG N N 13 119.429 119.429 118.652 0.777 19703 61 1 . 1 1 13 13 ARG HA H 13 5.322 5.322 5.196 0.126 19703 62 1 . 1 1 13 13 ARG C C 13 175.622 175.622 175.115 0.507 19703 63 1 . 1 1 13 13 ARG CA C 13 54.652 54.652 55.036 -0.384 19703 64 1 . 1 1 13 13 ARG CB C 13 33.616 33.616 33.218 0.398 19703 65 1 . 1 1 13 13 ARG H H 13 8.386 8.386 8.338 0.048 19703 66 1 . 1 1 14 14 LYS N N 14 122.872 122.872 123.628 -0.756 19703 67 1 . 1 1 14 14 LYS HA H 14 4.409 4.409 4.785 -0.376 19703 68 1 . 1 1 14 14 LYS C C 14 173.900 173.900 175.332 -1.432 19703 69 1 . 1 1 14 14 LYS CA C 14 55.236 55.236 54.675 0.561 19703 70 1 . 1 1 14 14 LYS CB C 14 37.200 37.200 35.564 1.636 19703 71 1 . 1 1 14 14 LYS H H 14 8.313 8.313 9.011 -0.698 19703 72 1 . 1 1 15 15 THR N N 15 119.577 119.577 117.346 2.231 19703 73 1 . 1 1 15 15 THR HA H 15 5.021 5.021 4.673 0.348 19703 74 1 . 1 1 15 15 THR C C 15 173.125 173.125 173.383 -0.258 19703 75 1 . 1 1 15 15 THR CA C 15 61.744 61.744 61.708 0.036 19703 76 1 . 1 1 15 15 THR CB C 15 70.674 70.674 69.812 0.862 19703 77 1 . 1 1 15 15 THR H H 15 8.058 8.058 8.475 -0.417 19703 78 1 . 1 1 16 16 TYR N N 16 124.739 124.739 124.379 0.360 19703 79 1 . 1 1 16 16 TYR HA H 16 4.793 4.793 4.756 0.037 19703 80 1 . 1 1 16 16 TYR C C 16 174.110 174.110 174.364 -0.254 19703 81 1 . 1 1 16 16 TYR CA C 16 56.177 56.177 57.013 -0.836 19703 82 1 . 1 1 16 16 TYR CB C 16 43.856 43.856 41.720 2.136 19703 83 1 . 1 1 16 16 TYR H H 16 9.192 9.192 7.904 1.288 19703 84 1 . 1 1 17 17 GLU N N 17 120.492 120.492 124.666 -4.174 19703 85 1 . 1 1 17 17 GLU HA H 17 4.402 4.402 4.348 0.054 19703 86 1 . 1 1 17 17 GLU C C 17 175.431 175.431 175.554 -0.123 19703 87 1 . 1 1 17 17 GLU CA C 17 55.885 55.885 57.390 -1.505 19703 88 1 . 1 1 17 17 GLU CB C 17 30.772 30.772 29.837 0.934 19703 89 1 . 1 1 17 17 GLU H H 17 8.485 8.485 8.783 -0.298 19703 90 1 . 1 1 18 18 ALA N N 18 127.314 127.314 127.600 -0.286 19703 91 1 . 1 1 18 18 ALA HA H 18 4.289 4.289 4.759 -0.470 19703 92 1 . 1 1 18 18 ALA C C 18 176.561 176.561 175.660 0.901 19703 93 1 . 1 1 18 18 ALA CA C 18 50.368 50.368 51.168 -0.800 19703 94 1 . 1 1 18 18 ALA CB C 18 22.174 22.174 21.745 0.429 19703 95 1 . 1 1 18 18 ALA H H 18 8.394 8.394 8.074 0.320 19703 96 1 . 1 1 19 19 TYR N N 19 118.845 118.845 117.685 1.160 19703 97 1 . 1 1 19 19 TYR HA H 19 4.698 4.698 4.636 0.062 19703 98 1 . 1 1 19 19 TYR C C 19 175.697 175.697 174.612 1.085 19703 99 1 . 1 1 19 19 TYR CA C 19 55.217 55.217 57.054 -1.837 19703 100 1 . 1 1 19 19 TYR CB C 19 38.407 38.407 41.768 -3.361 19703 101 1 . 1 1 19 19 TYR H H 19 8.588 8.588 8.718 -0.130 19703 102 1 . 1 1 20 20 ASP N N 20 121.106 121.106 119.928 1.178 19703 103 1 . 1 1 20 20 ASP HA H 20 4.176 4.176 4.685 -0.509 19703 104 1 . 1 1 20 20 ASP C C 20 176.460 176.460 176.126 0.334 19703 105 1 . 1 1 20 20 ASP CA C 20 55.993 55.993 54.820 1.173 19703 106 1 . 1 1 20 20 ASP CB C 20 41.290 41.290 40.432 0.858 19703 107 1 . 1 1 20 20 ASP H H 20 8.280 8.280 8.612 -0.332 19703 108 1 . 1 1 21 21 GLY N N 21 115.001 115.001 113.124 1.877 19703 109 1 . 1 1 21 21 GLY C C 21 173.948 173.948 173.936 0.012 19703 110 1 . 1 1 21 21 GLY CA C 21 45.288 45.288 45.785 -0.497 19703 111 1 . 1 1 21 21 GLY H H 21 9.011 9.011 8.387 0.624 19703 112 1 . 1 1 22 22 GLU N N 22 121.980 121.980 120.427 1.553 19703 113 1 . 1 1 22 22 GLU HA H 22 4.517 4.517 4.503 0.014 19703 114 1 . 1 1 22 22 GLU C C 22 175.114 175.114 176.122 -1.008 19703 115 1 . 1 1 22 22 GLU CA C 22 55.077 55.077 55.138 -0.061 19703 116 1 . 1 1 22 22 GLU CB C 22 30.747 30.747 30.919 -0.172 19703 117 1 . 1 1 22 22 GLU H H 22 7.856 7.856 7.711 0.145 19703 118 1 . 1 1 23 23 THR N N 23 110.390 110.390 119.177 -8.787 19703 119 1 . 1 1 23 23 THR HA H 23 5.382 5.382 4.332 1.050 19703 120 1 . 1 1 23 23 THR C C 23 176.857 176.857 175.910 0.947 19703 121 1 . 1 1 23 23 THR CA C 23 60.549 60.549 61.572 -1.023 19703 122 1 . 1 1 23 23 THR CB C 23 72.554 72.554 69.912 2.642 19703 123 1 . 1 1 23 23 THR H H 23 8.234 8.234 8.447 -0.213 19703 124 1 . 1 1 24 24 LEU N N 24 120.243 120.243 124.480 -4.237 19703 125 1 . 1 1 24 24 LEU HA H 24 4.022 4.022 4.075 -0.053 19703 126 1 . 1 1 24 24 LEU C C 24 178.102 178.102 178.219 -0.117 19703 127 1 . 1 1 24 24 LEU CA C 24 58.076 58.076 57.514 0.562 19703 128 1 . 1 1 24 24 LEU CB C 24 41.982 41.982 41.573 0.409 19703 129 1 . 1 1 24 24 LEU H H 24 8.410 8.410 8.890 -0.480 19703 130 1 . 1 1 25 25 LEU N N 25 116.005 116.005 119.060 -3.055 19703 131 1 . 1 1 25 25 LEU HA H 25 3.772 3.772 3.827 -0.055 19703 132 1 . 1 1 25 25 LEU C C 25 176.517 176.517 178.751 -2.234 19703 133 1 . 1 1 25 25 LEU CA C 25 57.593 57.593 58.092 -0.499 19703 134 1 . 1 1 25 25 LEU CB C 25 42.559 42.559 41.463 1.096 19703 135 1 . 1 1 25 25 LEU H H 25 6.645 6.645 7.509 -0.864 19703 136 1 . 1 1 26 26 SER N N 26 115.141 115.141 114.178 0.963 19703 137 1 . 1 1 26 26 SER HA H 26 4.061 4.061 4.001 0.060 19703 138 1 . 1 1 26 26 SER C C 26 177.287 177.287 176.354 0.933 19703 139 1 . 1 1 26 26 SER CA C 26 61.413 61.413 60.921 0.492 19703 140 1 . 1 1 26 26 SER CB C 26 62.377 62.377 62.833 -0.456 19703 141 1 . 1 1 26 26 SER H H 26 7.847 7.847 7.765 0.082 19703 142 1 . 1 1 27 27 LEU N N 27 122.244 122.244 123.062 -0.818 19703 143 1 . 1 1 27 27 LEU HA H 27 3.837 3.837 4.119 -0.282 19703 144 1 . 1 1 27 27 LEU C C 27 179.116 179.116 177.914 1.202 19703 145 1 . 1 1 27 27 LEU CA C 27 58.435 58.435 57.332 1.104 19703 146 1 . 1 1 27 27 LEU CB C 27 41.586 41.586 41.617 -0.031 19703 147 1 . 1 1 27 27 LEU H H 27 7.869 7.869 7.414 0.455 19703 148 1 . 1 1 28 28 ALA N N 28 120.875 120.875 121.020 -0.145 19703 149 1 . 1 1 28 28 ALA HA H 28 3.278 3.278 3.847 -0.569 19703 150 1 . 1 1 28 28 ALA C C 28 179.545 179.545 179.392 0.153 19703 151 1 . 1 1 28 28 ALA CA C 28 54.696 54.696 55.103 -0.407 19703 152 1 . 1 1 28 28 ALA CB C 28 18.423 18.423 17.903 0.520 19703 153 1 . 1 1 28 28 ALA H H 28 8.002 8.002 7.751 0.251 19703 154 1 . 1 1 29 29 HIS N N 29 117.818 117.818 117.085 0.733 19703 155 1 . 1 1 29 29 HIS HA H 29 4.538 4.538 4.273 0.265 19703 156 1 . 1 1 29 29 HIS C C 29 178.985 178.985 177.958 1.027 19703 157 1 . 1 1 29 29 HIS CA C 29 57.620 57.620 59.096 -1.476 19703 158 1 . 1 1 29 29 HIS CB C 29 28.961 28.961 29.686 -0.725 19703 159 1 . 1 1 29 29 HIS H H 29 8.587 8.587 7.873 0.714 19703 160 1 . 1 1 30 30 ARG N N 30 118.408 118.408 117.580 0.828 19703 161 1 . 1 1 30 30 ARG HA H 30 4.111 4.111 4.132 -0.021 19703 162 1 . 1 1 30 30 ARG C C 30 176.361 176.361 177.358 -0.997 19703 163 1 . 1 1 30 30 ARG CA C 30 58.818 58.818 58.075 0.743 19703 164 1 . 1 1 30 30 ARG CB C 30 30.001 30.001 30.015 -0.014 19703 165 1 . 1 1 30 30 ARG H H 30 8.264 8.264 7.804 0.460 19703 166 1 . 1 1 31 31 ASN N N 31 114.401 114.401 115.616 -1.215 19703 167 1 . 1 1 31 31 ASN HA H 31 4.578 4.578 4.735 -0.157 19703 168 1 . 1 1 31 31 ASN C C 31 172.703 172.703 174.588 -1.885 19703 169 1 . 1 1 31 31 ASN CA C 31 53.405 53.405 53.376 0.029 19703 170 1 . 1 1 31 31 ASN CB C 31 40.339 40.339 39.032 1.307 19703 171 1 . 1 1 31 31 ASN H H 31 6.906 6.906 7.933 -1.027 19703 172 1 . 1 1 32 32 ASN N N 32 114.697 114.697 114.753 -0.056 19703 173 1 . 1 1 32 32 ASN HA H 32 4.232 4.232 4.262 -0.030 19703 174 1 . 1 1 32 32 ASN C C 32 174.118 174.118 174.005 0.113 19703 175 1 . 1 1 32 32 ASN CA C 32 54.845 54.845 54.170 0.675 19703 176 1 . 1 1 32 32 ASN CB C 32 36.966 36.966 36.497 0.469 19703 177 1 . 1 1 32 32 ASN H H 32 7.637 7.637 7.859 -0.222 19703 178 1 . 1 1 33 33 VAL N N 33 119.649 119.649 119.103 0.546 19703 179 1 . 1 1 33 33 VAL HA H 33 3.508 3.508 4.188 -0.680 19703 180 1 . 1 1 33 33 VAL C C 33 176.639 176.639 174.892 1.747 19703 181 1 . 1 1 33 33 VAL CA C 33 62.163 62.163 60.680 1.483 19703 182 1 . 1 1 33 33 VAL CB C 33 31.566 31.566 33.805 -2.239 19703 183 1 . 1 1 33 33 VAL H H 33 8.003 8.003 7.665 0.338 19703 184 1 . 1 1 34 34 ASP N N 34 128.347 128.347 126.646 1.701 19703 185 1 . 1 1 34 34 ASP HA H 34 4.381 4.381 4.695 -0.314 19703 186 1 . 1 1 34 34 ASP C C 34 172.933 172.933 175.346 -2.413 19703 187 1 . 1 1 34 34 ASP CA C 34 54.311 54.311 54.086 0.225 19703 188 1 . 1 1 34 34 ASP CB C 34 39.063 39.063 40.611 -1.548 19703 189 1 . 1 1 34 34 ASP H H 34 8.469 8.469 8.451 0.018 19703 190 1 . 1 1 35 35 LEU N N 35 127.456 127.456 124.269 3.187 19703 191 1 . 1 1 35 35 LEU HA H 35 4.391 4.391 4.619 -0.228 19703 192 1 . 1 1 35 35 LEU C C 35 174.747 174.747 176.178 -1.431 19703 193 1 . 1 1 35 35 LEU CA C 35 54.105 54.105 53.870 0.235 19703 194 1 . 1 1 35 35 LEU H H 35 7.864 7.864 8.023 -0.159 19703 195 1 . 1 1 49 49 HIS HA H 49 4.857 4.857 4.556 0.301 19703 196 1 . 1 1 49 49 HIS C C 49 173.176 173.176 174.469 -1.293 19703 197 1 . 1 1 49 49 HIS CA C 49 55.342 55.342 56.076 -0.734 19703 198 1 . 1 1 49 49 HIS CB C 49 29.958 29.958 29.926 0.032 19703 199 1 . 1 1 50 50 VAL N N 50 119.554 119.554 116.080 3.474 19703 200 1 . 1 1 50 50 VAL HA H 50 4.327 4.327 4.559 -0.232 19703 201 1 . 1 1 50 50 VAL C C 50 172.122 172.122 173.988 -1.866 19703 202 1 . 1 1 50 50 VAL CA C 50 59.245 59.245 60.190 -0.944 19703 203 1 . 1 1 50 50 VAL CB C 50 35.976 35.976 35.225 0.751 19703 204 1 . 1 1 50 50 VAL H H 50 9.210 9.210 8.078 1.132 19703 205 1 . 1 1 51 51 ILE N N 51 121.739 121.739 122.916 -1.177 19703 206 1 . 1 1 51 51 ILE HA H 51 4.021 4.021 4.461 -0.440 19703 207 1 . 1 1 51 51 ILE C C 51 175.868 175.868 174.162 1.706 19703 208 1 . 1 1 51 51 ILE CA C 51 61.108 61.108 60.602 0.506 19703 209 1 . 1 1 51 51 ILE CB C 51 39.340 39.340 38.739 0.601 19703 210 1 . 1 1 51 51 ILE H H 51 8.279 8.279 8.341 -0.062 19703 211 1 . 1 1 52 52 ILE N N 52 126.048 126.048 123.897 2.151 19703 212 1 . 1 1 52 52 ILE HA H 52 4.027 4.027 4.591 -0.564 19703 213 1 . 1 1 52 52 ILE C C 52 176.343 176.343 174.637 1.706 19703 214 1 . 1 1 52 52 ILE CA C 52 58.856 58.856 58.207 0.649 19703 215 1 . 1 1 52 52 ILE CB C 52 35.576 35.576 40.856 -5.280 19703 216 1 . 1 1 52 52 ILE H H 52 8.454 8.454 7.941 0.513 19703 217 1 . 1 1 53 53 ASP N N 53 127.679 127.679 117.971 9.708 19703 218 1 . 1 1 53 53 ASP C C 53 176.811 176.811 176.639 0.172 19703 219 1 . 1 1 53 53 ASP CA C 53 54.125 54.125 52.998 1.127 19703 220 1 . 1 1 53 53 ASP CB C 53 44.609 44.609 40.390 4.219 19703 221 1 . 1 1 53 53 ASP H H 53 7.698 7.698 8.399 -0.701 19703 222 1 . 1 1 54 54 PRO HA H 54 4.188 4.188 4.398 -0.210 19703 223 1 . 1 1 54 54 PRO C C 54 178.175 178.175 178.228 -0.053 19703 224 1 . 1 1 54 54 PRO CA C 54 66.346 66.346 64.936 1.410 19703 225 1 . 1 1 54 54 PRO CB C 54 32.210 32.210 32.052 0.158 19703 226 1 . 1 1 55 55 SER N N 55 113.470 113.470 113.918 -0.448 19703 227 1 . 1 1 55 55 SER HA H 55 4.282 4.282 4.473 -0.191 19703 228 1 . 1 1 55 55 SER C C 55 174.884 174.884 175.518 -0.634 19703 229 1 . 1 1 55 55 SER CA C 55 61.090 61.090 60.620 0.470 19703 230 1 . 1 1 55 55 SER CB C 55 62.971 62.971 62.995 -0.024 19703 231 1 . 1 1 55 55 SER H H 55 8.853 8.853 8.391 0.462 19703 232 1 . 1 1 56 56 TRP N N 56 120.568 120.568 120.746 -0.178 19703 233 1 . 1 1 56 56 TRP HA H 56 4.467 4.467 4.778 -0.311 19703 234 1 . 1 1 56 56 TRP C C 56 176.386 176.386 177.209 -0.823 19703 235 1 . 1 1 56 56 TRP CA C 56 58.465 58.465 57.774 0.691 19703 236 1 . 1 1 56 56 TRP CB C 56 33.371 33.371 30.276 3.095 19703 237 1 . 1 1 56 56 TRP H H 56 8.656 8.656 7.774 0.882 19703 238 1 . 1 1 57 57 TYR N N 57 121.686 121.686 122.251 -0.565 19703 239 1 . 1 1 57 57 TYR HA H 57 3.716 3.716 4.034 -0.318 19703 240 1 . 1 1 57 57 TYR C C 57 176.621 176.621 177.137 -0.516 19703 241 1 . 1 1 57 57 TYR CA C 57 64.137 64.137 62.159 1.978 19703 242 1 . 1 1 57 57 TYR CB C 57 38.967 38.967 38.318 0.649 19703 243 1 . 1 1 57 57 TYR H H 57 7.329 7.329 8.142 -0.813 19703 244 1 . 1 1 58 58 ASP N N 58 119.983 119.983 118.273 1.710 19703 245 1 . 1 1 58 58 ASP HA H 58 4.390 4.390 4.229 0.161 19703 246 1 . 1 1 58 58 ASP C C 58 178.509 178.509 178.250 0.259 19703 247 1 . 1 1 58 58 ASP CA C 58 57.914 57.914 56.665 1.249 19703 248 1 . 1 1 58 58 ASP CB C 58 39.741 39.741 40.555 -0.814 19703 249 1 . 1 1 58 58 ASP H H 58 9.033 9.033 8.226 0.807 19703 250 1 . 1 1 59 59 ILE N N 59 122.534 122.534 119.841 2.693 19703 251 1 . 1 1 59 59 ILE HA H 59 3.809 3.809 3.794 0.015 19703 252 1 . 1 1 59 59 ILE C C 59 178.418 178.418 177.899 0.519 19703 253 1 . 1 1 59 59 ILE CA C 59 64.650 64.650 64.222 0.428 19703 254 1 . 1 1 59 59 ILE CB C 59 38.514 38.514 38.074 0.440 19703 255 1 . 1 1 59 59 ILE H H 59 7.894 7.894 7.467 0.427 19703 256 1 . 1 1 60 60 VAL N N 60 118.811 118.811 116.936 1.875 19703 257 1 . 1 1 60 60 VAL HA H 60 3.459 3.459 3.820 -0.361 19703 258 1 . 1 1 60 60 VAL C C 60 178.294 178.294 177.699 0.595 19703 259 1 . 1 1 60 60 VAL CA C 60 67.819 67.819 65.545 2.274 19703 260 1 . 1 1 60 60 VAL CB C 60 31.268 31.268 31.084 0.184 19703 261 1 . 1 1 60 60 VAL H H 60 8.265 8.265 8.416 -0.151 19703 262 1 . 1 1 61 61 GLU N N 61 121.332 121.332 119.296 2.036 19703 263 1 . 1 1 61 61 GLU HA H 61 3.625 3.625 3.971 -0.346 19703 264 1 . 1 1 61 61 GLU C C 61 177.407 177.407 177.416 -0.009 19703 265 1 . 1 1 61 61 GLU CA C 61 59.055 59.055 58.648 0.407 19703 266 1 . 1 1 61 61 GLU CB C 61 28.425 28.425 29.553 -1.128 19703 267 1 . 1 1 61 61 GLU H H 61 8.036 8.036 8.000 0.036 19703 268 1 . 1 1 62 62 GLN N N 62 117.653 117.653 115.715 1.938 19703 269 1 . 1 1 62 62 GLN HA H 62 3.734 3.734 4.170 -0.436 19703 270 1 . 1 1 62 62 GLN C C 62 177.586 177.586 177.346 0.240 19703 271 1 . 1 1 62 62 GLN CA C 62 58.476 58.476 57.677 0.799 19703 272 1 . 1 1 62 62 GLN CB C 62 28.100 28.100 28.826 -0.726 19703 273 1 . 1 1 62 62 GLN H H 62 7.912 7.912 7.288 0.624 19703 274 1 . 1 1 63 63 HIS N N 63 113.347 113.347 119.140 -5.793 19703 275 1 . 1 1 63 63 HIS HA H 63 4.438 4.438 4.494 -0.056 19703 276 1 . 1 1 63 63 HIS C C 63 177.626 177.626 174.614 3.012 19703 277 1 . 1 1 63 63 HIS CA C 63 56.824 56.824 57.355 -0.531 19703 278 1 . 1 1 63 63 HIS CB C 63 31.805 31.805 30.442 1.363 19703 279 1 . 1 1 63 63 HIS H H 63 6.929 6.929 8.227 -1.298 19703 280 1 . 1 1 64 64 ASN N N 64 121.506 121.506 117.563 3.943 19703 281 1 . 1 1 64 64 ASN HA H 64 5.081 5.081 4.767 0.314 19703 282 1 . 1 1 64 64 ASN C C 64 172.577 172.577 173.878 -1.301 19703 283 1 . 1 1 64 64 ASN CA C 64 52.317 52.317 52.355 -0.038 19703 284 1 . 1 1 64 64 ASN CB C 64 40.113 40.113 40.424 -0.311 19703 285 1 . 1 1 64 64 ASN H H 64 7.875 7.875 7.654 0.221 19703 286 1 . 1 1 65 65 GLU N N 65 126.101 126.101 123.027 3.074 19703 287 1 . 1 1 65 65 GLU HA H 65 4.132 4.132 4.336 -0.204 19703 288 1 . 1 1 65 65 GLU C C 65 176.297 176.297 175.816 0.481 19703 289 1 . 1 1 65 65 GLU CA C 65 57.575 57.575 56.037 1.539 19703 290 1 . 1 1 65 65 GLU CB C 65 30.195 30.195 30.649 -0.454 19703 291 1 . 1 1 65 65 GLU H H 65 8.791 8.791 8.465 0.326 19703 292 1 . 1 1 66 66 ILE N N 66 125.274 125.274 118.126 7.148 19703 293 1 . 1 1 66 66 ILE HA H 66 3.995 3.995 4.517 -0.522 19703 294 1 . 1 1 66 66 ILE C C 66 176.257 176.257 175.447 0.810 19703 295 1 . 1 1 66 66 ILE CA C 66 62.046 62.046 59.981 2.065 19703 296 1 . 1 1 66 66 ILE CB C 66 37.899 37.899 39.645 -1.746 19703 297 1 . 1 1 66 66 ILE H H 66 8.973 8.973 8.103 0.870 19703 298 1 . 1 1 67 67 SER N N 67 125.487 125.487 120.209 5.278 19703 299 1 . 1 1 67 67 SER HA H 67 4.439 4.439 4.601 -0.162 19703 300 1 . 1 1 67 67 SER C C 67 174.736 174.736 175.140 -0.404 19703 301 1 . 1 1 67 67 SER CA C 67 58.127 58.127 57.447 0.680 19703 302 1 . 1 1 67 67 SER CB C 67 66.057 66.057 64.743 1.314 19703 303 1 . 1 1 67 67 SER H H 67 8.585 8.585 8.345 0.240 19703 304 1 . 1 1 68 68 ASP N N 68 122.043 122.043 121.349 0.694 19703 305 1 . 1 1 68 68 ASP HA H 68 4.309 4.309 4.366 -0.057 19703 306 1 . 1 1 68 68 ASP C C 68 178.298 178.298 177.810 0.488 19703 307 1 . 1 1 68 68 ASP CA C 68 57.596 57.596 57.347 0.249 19703 308 1 . 1 1 68 68 ASP CB C 68 40.548 40.548 40.581 -0.033 19703 309 1 . 1 1 68 68 ASP H H 68 8.929 8.929 8.802 0.127 19703 310 1 . 1 1 69 69 GLU N N 69 118.225 118.225 118.353 -0.128 19703 311 1 . 1 1 69 69 GLU HA H 69 3.960 3.960 4.117 -0.157 19703 312 1 . 1 1 69 69 GLU C C 69 178.938 178.938 178.561 0.377 19703 313 1 . 1 1 69 69 GLU CA C 69 60.728 60.728 58.677 2.051 19703 314 1 . 1 1 69 69 GLU CB C 69 29.492 29.492 29.153 0.339 19703 315 1 . 1 1 69 69 GLU H H 69 8.852 8.852 8.398 0.454 19703 316 1 . 1 1 70 70 GLU N N 70 121.051 121.051 121.001 0.050 19703 317 1 . 1 1 70 70 GLU HA H 70 3.820 3.820 4.072 -0.252 19703 318 1 . 1 1 70 70 GLU C C 70 177.857 177.857 178.738 -0.881 19703 319 1 . 1 1 70 70 GLU CA C 70 59.443 59.443 59.315 0.128 19703 320 1 . 1 1 70 70 GLU CB C 70 28.344 28.344 29.310 -0.966 19703 321 1 . 1 1 70 70 GLU H H 70 7.923 7.923 8.241 -0.318 19703 322 1 . 1 1 71 71 ASN N N 71 118.461 118.461 116.683 1.778 19703 323 1 . 1 1 71 71 ASN HA H 71 4.360 4.360 4.427 -0.067 19703 324 1 . 1 1 71 71 ASN C C 71 177.621 177.621 177.137 0.484 19703 325 1 . 1 1 71 71 ASN CA C 71 56.919 56.919 55.876 1.043 19703 326 1 . 1 1 71 71 ASN CB C 71 38.688 38.688 38.603 0.085 19703 327 1 . 1 1 71 71 ASN H H 71 7.988 7.988 8.353 -0.365 19703 328 1 . 1 1 72 72 ASP N N 72 118.807 118.807 119.622 -0.815 19703 329 1 . 1 1 72 72 ASP HA H 72 4.249 4.249 4.484 -0.235 19703 330 1 . 1 1 72 72 ASP C C 72 178.772 178.772 178.233 0.539 19703 331 1 . 1 1 72 72 ASP CA C 72 57.507 57.507 56.570 0.937 19703 332 1 . 1 1 72 72 ASP CB C 72 40.932 40.932 41.085 -0.153 19703 333 1 . 1 1 72 72 ASP H H 72 8.129 8.129 7.542 0.587 19703 334 1 . 1 1 73 73 MET N N 73 117.610 117.610 119.219 -1.609 19703 335 1 . 1 1 73 73 MET HA H 73 4.415 4.415 4.160 0.255 19703 336 1 . 1 1 73 73 MET C C 73 180.694 180.694 178.169 2.525 19703 337 1 . 1 1 73 73 MET CA C 73 56.144 56.144 58.033 -1.889 19703 338 1 . 1 1 73 73 MET CB C 73 34.126 34.126 32.390 1.736 19703 339 1 . 1 1 73 73 MET H H 73 7.523 7.523 7.856 -0.333 19703 340 1 . 1 1 74 74 LEU N N 74 123.258 123.258 119.005 4.253 19703 341 1 . 1 1 74 74 LEU HA H 74 3.768 3.768 4.030 -0.262 19703 342 1 . 1 1 74 74 LEU C C 74 178.471 178.471 178.130 0.341 19703 343 1 . 1 1 74 74 LEU CA C 74 57.865 57.865 58.084 -0.219 19703 344 1 . 1 1 74 74 LEU CB C 74 41.013 41.013 41.739 -0.726 19703 345 1 . 1 1 74 74 LEU H H 74 8.850 8.850 7.749 1.101 19703 346 1 . 1 1 75 75 ASP N N 75 115.491 115.491 118.652 -3.161 19703 347 1 . 1 1 75 75 ASP HA H 75 4.320 4.320 4.461 -0.141 19703 348 1 . 1 1 75 75 ASP C C 75 177.521 177.521 177.280 0.241 19703 349 1 . 1 1 75 75 ASP CA C 75 57.000 57.000 56.468 0.532 19703 350 1 . 1 1 75 75 ASP CB C 75 41.163 41.163 41.032 0.131 19703 351 1 . 1 1 75 75 ASP H H 75 7.439 7.439 7.895 -0.456 19703 352 1 . 1 1 76 76 LEU N N 76 116.660 116.660 118.846 -2.186 19703 353 1 . 1 1 76 76 LEU HA H 76 4.280 4.280 4.342 -0.062 19703 354 1 . 1 1 76 76 LEU C C 76 177.224 177.224 176.362 0.862 19703 355 1 . 1 1 76 76 LEU CA C 76 54.067 54.067 54.502 -0.435 19703 356 1 . 1 1 76 76 LEU CB C 76 42.211 42.211 41.974 0.237 19703 357 1 . 1 1 76 76 LEU H H 76 7.039 7.039 7.358 -0.319 19703 358 1 . 1 1 77 77 ALA N N 77 123.914 123.914 122.869 1.045 19703 359 1 . 1 1 77 77 ALA HA H 77 4.074 4.074 4.205 -0.131 19703 360 1 . 1 1 77 77 ALA C C 77 177.216 177.216 176.461 0.755 19703 361 1 . 1 1 77 77 ALA CA C 77 52.304 52.304 52.415 -0.111 19703 362 1 . 1 1 77 77 ALA CB C 77 18.204 18.204 18.367 -0.163 19703 363 1 . 1 1 77 77 ALA H H 77 7.736 7.736 7.231 0.505 19703 364 1 . 1 1 78 78 PHE N N 78 122.688 122.688 123.904 -1.216 19703 365 1 . 1 1 78 78 PHE HA H 78 4.415 4.415 4.566 -0.151 19703 366 1 . 1 1 78 78 PHE C C 78 176.460 176.460 176.637 -0.177 19703 367 1 . 1 1 78 78 PHE CA C 78 57.752 57.752 57.801 -0.049 19703 368 1 . 1 1 78 78 PHE CB C 78 39.221 39.221 40.779 -1.558 19703 369 1 . 1 1 78 78 PHE H H 78 8.310 8.310 8.004 0.306 19703 370 1 . 1 1 79 79 GLY N N 79 112.822 112.822 113.683 -0.861 19703 371 1 . 1 1 79 79 GLY C C 79 174.510 174.510 173.626 0.884 19703 372 1 . 1 1 79 79 GLY CA C 79 46.279 46.279 44.805 1.474 19703 373 1 . 1 1 79 79 GLY H H 79 8.383 8.383 8.480 -0.097 19703 374 1 . 1 1 80 80 LEU N N 80 118.988 118.988 122.478 -3.490 19703 375 1 . 1 1 80 80 LEU HA H 80 3.754 3.754 4.384 -0.630 19703 376 1 . 1 1 80 80 LEU C C 80 176.528 176.528 176.776 -0.248 19703 377 1 . 1 1 80 80 LEU CA C 80 56.497 56.497 54.814 1.683 19703 378 1 . 1 1 80 80 LEU CB C 80 42.808 42.808 43.029 -0.221 19703 379 1 . 1 1 80 80 LEU H H 80 6.978 6.978 7.654 -0.676 19703 380 1 . 1 1 81 81 THR N N 81 118.057 118.057 112.431 5.626 19703 381 1 . 1 1 81 81 THR HA H 81 4.857 4.857 4.369 0.488 19703 382 1 . 1 1 81 81 THR C C 81 175.739 175.739 174.661 1.078 19703 383 1 . 1 1 81 81 THR CA C 81 60.194 60.194 60.742 -0.548 19703 384 1 . 1 1 81 81 THR CB C 81 73.868 73.868 69.917 3.951 19703 385 1 . 1 1 81 81 THR H H 81 9.176 9.176 8.049 1.127 19703 386 1 . 1 1 82 82 ASP N N 82 118.080 118.080 118.482 -0.402 19703 387 1 . 1 1 82 82 ASP HA H 82 4.379 4.379 4.397 -0.018 19703 388 1 . 1 1 82 82 ASP C C 82 176.700 176.700 176.466 0.234 19703 389 1 . 1 1 82 82 ASP CA C 82 55.835 55.835 55.706 0.129 19703 390 1 . 1 1 82 82 ASP CB C 82 40.675 40.675 40.553 0.122 19703 391 1 . 1 1 82 82 ASP H H 82 8.679 8.679 8.638 0.041 19703 392 1 . 1 1 83 83 THR N N 83 107.059 107.059 108.001 -0.942 19703 393 1 . 1 1 83 83 THR HA H 83 4.253 4.253 4.119 0.134 19703 394 1 . 1 1 83 83 THR C C 83 174.494 174.494 174.296 0.198 19703 395 1 . 1 1 83 83 THR CA C 83 59.749 59.749 62.794 -3.045 19703 396 1 . 1 1 83 83 THR CB C 83 66.801 66.801 69.557 -2.756 19703 397 1 . 1 1 83 83 THR H H 83 7.893 7.893 7.551 0.342 19703 398 1 . 1 1 84 84 SER N N 84 121.526 121.526 116.865 4.661 19703 399 1 . 1 1 84 84 SER HA H 84 5.080 5.080 4.509 0.571 19703 400 1 . 1 1 84 84 SER C C 84 173.561 173.561 174.227 -0.666 19703 401 1 . 1 1 84 84 SER CA C 84 61.844 61.844 57.811 4.033 19703 402 1 . 1 1 84 84 SER CB C 84 64.933 64.933 64.054 0.879 19703 403 1 . 1 1 84 84 SER H H 84 6.993 6.993 7.341 -0.348 19703 404 1 . 1 1 85 85 ARG N N 85 118.632 118.632 125.043 -6.411 19703 405 1 . 1 1 85 85 ARG HA H 85 4.809 4.809 4.756 0.053 19703 406 1 . 1 1 85 85 ARG C C 85 175.213 175.213 175.559 -0.346 19703 407 1 . 1 1 85 85 ARG CA C 85 52.209 52.209 54.615 -2.406 19703 408 1 . 1 1 85 85 ARG CB C 85 35.685 35.685 32.156 3.529 19703 409 1 . 1 1 85 85 ARG H H 85 9.358 9.358 8.174 1.184 19703 410 1 . 1 1 86 86 LEU N N 86 120.203 120.203 121.515 -1.312 19703 411 1 . 1 1 86 86 LEU H H 86 9.122 9.122 8.745 0.377 19703 412 1 . 1 1 89 89 GLN HA H 89 4.188 4.188 4.487 -0.299 19703 413 1 . 1 1 89 89 GLN C C 89 173.992 173.992 175.148 -1.156 19703 414 1 . 1 1 89 89 GLN CA C 89 53.850 53.850 54.675 -0.825 19703 415 1 . 1 1 89 89 GLN CB C 89 29.721 29.721 29.681 0.040 19703 416 1 . 1 1 90 90 ILE N N 90 117.060 117.060 118.045 -0.985 19703 417 1 . 1 1 90 90 ILE HA H 90 3.787 3.787 3.754 0.033 19703 418 1 . 1 1 90 90 ILE C C 90 173.762 173.762 174.628 -0.866 19703 419 1 . 1 1 90 90 ILE CA C 90 58.765 58.765 61.955 -3.190 19703 420 1 . 1 1 90 90 ILE CB C 90 37.268 37.268 35.702 1.566 19703 421 1 . 1 1 90 90 ILE H H 90 6.736 6.736 8.059 -1.323 19703 422 1 . 1 1 91 91 ILE N N 91 128.173 128.173 119.207 8.966 19703 423 1 . 1 1 91 91 ILE HA H 91 3.895 3.895 4.607 -0.712 19703 424 1 . 1 1 91 91 ILE C C 91 175.955 175.955 175.653 0.302 19703 425 1 . 1 1 91 91 ILE CA C 91 60.160 60.160 58.941 1.219 19703 426 1 . 1 1 91 91 ILE CB C 91 37.104 37.104 38.618 -1.514 19703 427 1 . 1 1 91 91 ILE H H 91 8.157 8.157 7.947 0.210 19703 428 1 . 1 1 92 92 LEU N N 92 127.403 127.403 126.051 1.352 19703 429 1 . 1 1 92 92 LEU HA H 92 4.105 4.105 4.371 -0.266 19703 430 1 . 1 1 92 92 LEU C C 92 174.391 174.391 176.533 -2.142 19703 431 1 . 1 1 92 92 LEU CA C 92 54.805 54.805 55.711 -0.906 19703 432 1 . 1 1 92 92 LEU CB C 92 40.594 40.594 42.468 -1.874 19703 433 1 . 1 1 92 92 LEU H H 92 8.979 8.979 8.677 0.302 19703 434 1 . 1 1 93 93 THR N N 93 110.385 110.385 109.959 0.426 19703 435 1 . 1 1 93 93 THR HA H 93 4.760 4.760 4.897 -0.137 19703 436 1 . 1 1 93 93 THR C C 93 176.119 176.119 175.074 1.045 19703 437 1 . 1 1 93 93 THR CA C 93 59.059 59.059 59.662 -0.603 19703 438 1 . 1 1 93 93 THR CB C 93 72.517 72.517 71.016 1.501 19703 439 1 . 1 1 93 93 THR H H 93 6.270 6.270 8.088 -1.818 19703 440 1 . 1 1 94 94 LYS N N 94 120.484 120.484 123.792 -3.308 19703 441 1 . 1 1 94 94 LYS HA H 94 3.684 3.684 4.031 -0.347 19703 442 1 . 1 1 94 94 LYS C C 94 177.634 177.634 177.955 -0.321 19703 443 1 . 1 1 94 94 LYS CA C 94 59.586 59.586 58.959 0.627 19703 444 1 . 1 1 94 94 LYS CB C 94 31.690 31.690 32.101 -0.411 19703 445 1 . 1 1 94 94 LYS H H 94 9.071 9.071 8.909 0.162 19703 446 1 . 1 1 95 95 GLU N N 95 118.365 118.365 119.685 -1.320 19703 447 1 . 1 1 95 95 GLU HA H 95 3.960 3.960 4.124 -0.164 19703 448 1 . 1 1 95 95 GLU C C 95 176.639 176.639 177.896 -1.257 19703 449 1 . 1 1 95 95 GLU CA C 95 59.480 59.480 58.788 0.692 19703 450 1 . 1 1 95 95 GLU CB C 95 28.224 28.224 29.391 -1.167 19703 451 1 . 1 1 95 95 GLU H H 95 8.422 8.422 7.971 0.451 19703 452 1 . 1 1 96 96 LEU N N 96 116.407 116.407 119.189 -2.782 19703 453 1 . 1 1 96 96 LEU HA H 96 4.453 4.453 4.404 0.049 19703 454 1 . 1 1 96 96 LEU C C 96 174.106 174.106 176.107 -2.001 19703 455 1 . 1 1 96 96 LEU CA C 96 53.499 53.499 54.029 -0.530 19703 456 1 . 1 1 96 96 LEU CB C 96 40.899 40.899 41.551 -0.652 19703 457 1 . 1 1 96 96 LEU H H 96 7.727 7.727 7.503 0.224 19703 458 1 . 1 1 97 97 ASP N N 97 116.722 116.722 120.452 -3.730 19703 459 1 . 1 1 97 97 ASP HA H 97 4.012 4.012 4.359 -0.347 19703 460 1 . 1 1 97 97 ASP C C 97 175.803 175.803 177.753 -1.950 19703 461 1 . 1 1 97 97 ASP CA C 97 56.511 56.511 54.995 1.516 19703 462 1 . 1 1 97 97 ASP CB C 97 41.691 41.691 40.357 1.334 19703 463 1 . 1 1 97 97 ASP H H 97 7.046 7.046 7.918 -0.872 19703 464 1 . 1 1 98 98 GLY N N 98 117.545 117.545 113.895 3.650 19703 465 1 . 1 1 98 98 GLY C C 98 173.481 173.481 173.687 -0.206 19703 466 1 . 1 1 98 98 GLY CA C 98 44.602 44.602 45.292 -0.690 19703 467 1 . 1 1 98 98 GLY H H 98 8.957 8.957 8.372 0.585 19703 468 1 . 1 1 99 99 LEU N N 99 122.555 122.555 121.345 1.210 19703 469 1 . 1 1 99 99 LEU C C 99 173.036 173.036 175.784 -2.748 19703 470 1 . 1 1 99 99 LEU CA C 99 55.737 55.737 53.519 2.218 19703 471 1 . 1 1 99 99 LEU CB C 99 42.087 42.087 44.303 -2.216 19703 472 1 . 1 1 99 99 LEU H H 99 7.239 7.239 7.768 -0.529 19703 473 1 . 1 1 100 100 CYS N N 100 121.421 121.421 120.850 0.571 19703 474 1 . 1 1 100 100 CYS HA H 100 5.219 5.219 5.010 0.209 19703 475 1 . 1 1 100 100 CYS C C 100 172.184 172.184 174.167 -1.983 19703 476 1 . 1 1 100 100 CYS CA C 100 54.042 54.042 56.953 -2.911 19703 477 1 . 1 1 100 100 CYS CB C 100 45.330 45.330 27.923 17.407 19703 478 1 . 1 1 100 100 CYS H H 100 5.355 5.355 8.385 -3.030 19703 479 1 . 1 1 101 101 VAL N N 101 121.510 121.510 118.958 2.552 19703 480 1 . 1 1 101 101 VAL HA H 101 4.435 4.435 4.656 -0.221 19703 481 1 . 1 1 101 101 VAL C C 101 172.314 172.314 174.232 -1.918 19703 482 1 . 1 1 101 101 VAL CA C 101 59.936 59.936 59.391 0.545 19703 483 1 . 1 1 101 101 VAL CB C 101 34.396 34.396 35.010 -0.614 19703 484 1 . 1 1 101 101 VAL H H 101 8.691 8.691 8.515 0.176 19703 485 1 . 1 1 102 102 ILE N N 102 126.427 126.427 120.255 6.172 19703 486 1 . 1 1 102 102 ILE HA H 102 4.505 4.505 4.264 0.241 19703 487 1 . 1 1 102 102 ILE C C 102 175.584 175.584 176.642 -1.058 19703 488 1 . 1 1 102 102 ILE CA C 102 60.603 60.603 59.586 1.017 19703 489 1 . 1 1 102 102 ILE CB C 102 40.383 40.383 37.616 2.767 19703 490 1 . 1 1 102 102 ILE H H 102 9.582 9.582 8.086 1.496 19703 491 1 . 1 1 103 103 LEU N N 103 127.589 127.589 125.946 1.643 19703 492 1 . 1 1 103 103 LEU HA H 103 4.665 4.665 4.194 0.471 19703 493 1 . 1 1 103 103 LEU C C 103 174.725 174.725 176.149 -1.424 19703 494 1 . 1 1 103 103 LEU CA C 103 52.048 52.048 54.077 -2.029 19703 495 1 . 1 1 103 103 LEU CB C 103 40.970 40.970 41.127 -0.157 19703 496 1 . 1 1 103 103 LEU H H 103 8.321 8.321 8.187 0.134 19703 497 1 . 1 1 104 104 PRO HA H 104 4.306 4.306 4.353 -0.047 19703 498 1 . 1 1 104 104 PRO C C 104 176.389 176.389 176.727 -0.338 19703 499 1 . 1 1 104 104 PRO CA C 104 62.963 62.963 64.254 -1.291 19703 500 1 . 1 1 104 104 PRO CB C 104 32.265 32.265 32.100 0.165 19703 501 1 . 1 1 105 105 THR N N 105 113.257 113.257 110.946 2.311 19703 502 1 . 1 1 105 105 THR HA H 105 4.139 4.139 4.377 -0.238 19703 503 1 . 1 1 105 105 THR C C 105 174.080 174.080 173.254 0.826 19703 504 1 . 1 1 105 105 THR CA C 105 62.593 62.593 60.761 1.832 19703 505 1 . 1 1 105 105 THR CB C 105 69.871 69.871 70.678 -0.807 19703 506 1 . 1 1 105 105 THR H H 105 8.108 8.108 7.480 0.628 19703 507 1 . 1 1 106 106 GLU N N 106 122.035 122.035 122.160 -0.125 19703 508 1 . 1 1 106 106 GLU HA H 106 4.352 4.352 4.335 0.017 19703 509 1 . 1 1 106 106 GLU C C 106 176.012 176.012 175.706 0.306 19703 510 1 . 1 1 106 106 GLU CA C 106 56.393 56.393 56.473 -0.080 19703 511 1 . 1 1 106 106 GLU CB C 106 31.113 31.113 29.612 1.501 19703 512 1 . 1 1 106 106 GLU H H 106 8.291 8.291 8.516 -0.225 19703 513 1 . 1 1 107 107 THR N N 107 115.185 115.185 117.026 -1.841 19703 514 1 . 1 1 107 107 THR HA H 107 4.240 4.240 4.421 -0.181 19703 515 1 . 1 1 107 107 THR C C 107 174.345 174.345 173.648 0.697 19703 516 1 . 1 1 107 107 THR CA C 107 61.839 61.839 61.754 0.085 19703 517 1 . 1 1 107 107 THR CB C 107 70.027 70.027 69.729 0.298 19703 518 1 . 1 1 107 107 THR H H 107 8.308 8.308 8.004 0.304 19703 519 1 . 1 1 108 108 ARG N N 108 122.789 122.789 121.682 1.107 19703 520 1 . 1 1 108 108 ARG HA H 108 4.133 4.133 4.473 -0.340 19703 521 1 . 1 1 108 108 ARG C C 108 175.543 175.543 174.877 0.666 19703 522 1 . 1 1 108 108 ARG CA C 108 56.088 56.088 55.830 0.259 19703 523 1 . 1 1 108 108 ARG CB C 108 30.906 30.906 31.525 -0.619 19703 524 1 . 1 1 108 108 ARG H H 108 8.289 8.289 8.388 -0.099 19703 525 1 . 1 1 109 109 ASN N N 109 120.177 120.177 119.051 1.126 19703 526 1 . 1 1 109 109 ASN HA H 109 4.579 4.579 4.851 -0.272 19703 527 1 . 1 1 109 109 ASN C C 109 175.106 175.106 174.034 1.072 19703 528 1 . 1 1 109 109 ASN CA C 109 53.134 53.134 53.173 -0.039 19703 529 1 . 1 1 109 109 ASN CB C 109 38.735 38.735 39.423 -0.688 19703 530 1 . 1 1 109 109 ASN H H 109 8.365 8.365 8.402 -0.037 19703 531 1 . 1 1 110 110 ILE N N 110 120.936 120.936 121.137 -0.201 19703 532 1 . 1 1 110 110 ILE HA H 110 4.070 4.070 4.299 -0.229 19703 533 1 . 1 1 110 110 ILE C C 110 175.914 175.914 174.710 1.204 19703 534 1 . 1 1 110 110 ILE CA C 110 61.340 61.340 61.418 -0.078 19703 535 1 . 1 1 110 110 ILE CB C 110 38.861 38.861 39.278 -0.417 19703 536 1 . 1 1 110 110 ILE H H 110 7.983 7.983 8.287 -0.304 19703 537 1 . 1 1 111 111 SER N N 111 118.751 118.751 119.266 -0.515 19703 538 1 . 1 1 111 111 SER HA H 111 4.340 4.340 4.563 -0.223 19703 539 1 . 1 1 111 111 SER C C 111 173.977 173.977 173.223 0.754 19703 540 1 . 1 1 111 111 SER CA C 111 58.315 58.315 58.480 -0.165 19703 541 1 . 1 1 111 111 SER CB C 111 63.845 63.845 64.083 -0.238 19703 542 1 . 1 1 111 111 SER H H 111 8.176 8.176 8.076 0.100 19703 543 1 . 1 1 112 112 PHE N N 112 122.536 122.536 122.173 0.363 19703 544 1 . 1 1 112 112 PHE HA H 112 4.555 4.555 4.786 -0.231 19703 545 1 . 1 1 112 112 PHE C C 112 175.282 175.282 174.821 0.461 19703 546 1 . 1 1 112 112 PHE CA C 112 57.743 57.743 57.394 0.349 19703 547 1 . 1 1 112 112 PHE CB C 112 39.708 39.708 39.743 -0.035 19703 548 1 . 1 1 112 112 PHE H H 112 8.118 8.118 8.239 -0.121 19703 549 1 . 1 1 113 113 VAL N N 113 122.561 122.561 119.699 2.862 19703 550 1 . 1 1 113 113 VAL HA H 113 3.922 3.922 4.276 -0.354 19703 551 1 . 1 1 113 113 VAL C C 113 175.447 175.447 175.538 -0.091 19703 552 1 . 1 1 113 113 VAL CA C 113 62.237 62.237 61.485 0.752 19703 553 1 . 1 1 113 113 VAL CB C 113 32.899 32.899 33.390 -0.491 19703 554 1 . 1 1 113 113 VAL H H 113 7.907 7.907 7.944 -0.037 19703 555 1 . 1 1 114 114 LYS N N 114 125.629 125.629 122.404 3.225 19703 556 1 . 1 1 114 114 LYS HA H 114 4.208 4.208 4.422 -0.214 19703 557 1 . 1 1 114 114 LYS C C 114 176.039 176.039 175.719 0.320 19703 558 1 . 1 1 114 114 LYS CA C 114 56.316 56.316 55.798 0.518 19703 559 1 . 1 1 114 114 LYS CB C 114 33.152 33.152 32.659 0.493 19703 560 1 . 1 1 114 114 LYS H H 114 8.283 8.283 8.200 0.083 19703 561 1 . 1 1 115 115 ASN N N 115 121.240 121.240 119.599 1.641 19703 562 1 . 1 1 115 115 ASN HA H 115 4.672 4.672 4.771 -0.099 19703 563 1 . 1 1 115 115 ASN C C 115 174.230 174.230 174.633 -0.403 19703 564 1 . 1 1 115 115 ASN CA C 115 53.356 53.356 53.392 -0.036 19703 565 1 . 1 1 115 115 ASN CB C 115 39.079 39.079 39.785 -0.706 19703 566 1 . 1 1 115 115 ASN H H 115 8.452 8.452 8.227 0.225 19703 stop_ save_