data_15528_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15528
_Entry.PDB_ID 2JWN
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 5
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 8 . 1 1 1 A 2 2 ILE H H 2 8.420 8.773 -0.353 1
1 9 . 1 1 1 A 2 2 ILE HA H 2 4.219 4.807 -0.588 1
1 11 . 1 1 1 A 2 2 ILE C C 2 175.424 173.909 1.515 1
1 12 . 1 1 1 A 2 2 ILE CA C 2 61.022 59.911 1.111 1
1 13 . 1 1 1 A 2 2 ILE CB C 2 38.918 40.329 -1.411 1
1 14 . 1 1 1 A 2 2 ILE N N 2 120.314 125.606 -5.292 1
1 15 . 1 1 1 A 3 3 ALA H H 3 8.374 8.698 -0.324 1
1 16 . 1 1 1 A 3 3 ALA CA C 3 50.509 49.145 1.364 1
1 17 . 1 1 1 A 3 3 ALA CB C 3 18.608 22.060 -3.452 1
1 18 . 1 1 1 A 3 3 ALA N N 3 129.874 130.501 -0.627 1
1 19 . 1 1 1 A 4 4 PRO HA H 4 4.446 4.654 -0.208 1
1 22 . 1 1 1 A 4 4 PRO C C 4 176.949 176.164 0.785 1
1 23 . 1 1 1 A 4 4 PRO CA C 4 63.456 62.714 0.742 1
1 24 . 1 1 1 A 4 4 PRO CB C 4 32.203 31.535 0.668 1
1 25 . 1 1 1 A 5 5 CYS H H 5 8.347 8.512 -0.165 1
1 26 . 1 1 1 A 5 5 CYS HA H 5 4.492 5.088 -0.596 1
1 28 . 1 1 1 A 5 5 CYS C C 5 174.805 174.499 0.306 1
1 29 . 1 1 1 A 5 5 CYS CA C 5 58.495 57.828 0.667 1
1 30 . 1 1 1 A 5 5 CYS CB C 5 27.957 28.711 -0.754 1
1 31 . 1 1 1 A 5 5 CYS N N 5 118.477 119.319 -0.842 1
1 32 . 1 1 1 A 6 6 MET H H 6 8.421 9.127 -0.706 1
1 33 . 1 1 1 A 6 6 MET HA H 6 4.534 4.392 0.142 1
1 35 . 1 1 1 A 6 6 MET C C 6 176.132 175.198 0.934 1
1 36 . 1 1 1 A 6 6 MET CA C 6 55.629 57.623 -1.994 1
1 37 . 1 1 1 A 6 6 MET CB C 6 33.048 31.397 1.651 1
1 38 . 1 1 1 A 6 6 MET N N 6 122.952 121.247 1.705 1
1 39 . 1 1 1 A 7 7 GLN H H 7 8.313 8.837 -0.524 1
1 40 . 1 1 1 A 7 7 GLN HA H 7 4.435 4.167 0.268 1
1 42 . 1 1 1 A 7 7 GLN C C 7 176.128 175.633 0.495 1
1 43 . 1 1 1 A 7 7 GLN CA C 7 56.109 58.010 -1.901 1
1 44 . 1 1 1 A 7 7 GLN CB C 7 29.591 27.477 2.114 1
1 45 . 1 1 1 A 7 7 GLN N N 7 121.379 117.907 3.472 1
1 46 . 1 1 1 A 8 8 THR H H 8 8.195 8.639 -0.444 1
1 47 . 1 1 1 A 8 8 THR HA H 8 4.406 4.012 0.394 1
1 49 . 1 1 1 A 8 8 THR C C 8 174.739 173.226 1.513 1
1 50 . 1 1 1 A 8 8 THR CA C 8 61.856 63.833 -1.977 1
1 51 . 1 1 1 A 8 8 THR CB C 8 69.854 67.113 2.741 1
1 52 . 1 1 1 A 8 8 THR N N 8 115.096 111.696 3.400 1
1 53 . 1 1 1 A 9 9 THR H H 9 8.081 7.769 0.312 1
1 54 . 1 1 1 A 9 9 THR HA H 9 4.335 4.809 -0.474 1
1 56 . 1 1 1 A 9 9 THR C C 9 174.407 173.228 1.179 1
1 57 . 1 1 1 A 9 9 THR CA C 9 61.896 60.863 1.033 1
1 58 . 1 1 1 A 9 9 THR CB C 9 69.811 69.167 0.644 1
1 59 . 1 1 1 A 9 9 THR N N 9 115.837 116.834 -0.997 1
1 60 . 1 1 1 A 10 10 HIS H H 10 8.477 8.668 -0.191 1
1 61 . 1 1 1 A 10 10 HIS HA H 10 4.788 5.267 -0.479 1
1 64 . 1 1 1 A 10 10 HIS C C 10 174.571 174.536 0.035 1
1 65 . 1 1 1 A 10 10 HIS CA C 10 55.477 53.700 1.777 1
1 66 . 1 1 1 A 10 10 HIS CB C 10 29.291 30.644 -1.353 1
1 67 . 1 1 1 A 10 10 HIS N N 10 120.606 123.810 -3.204 1
1 68 . 1 1 1 A 11 11 SER H H 11 8.306 9.030 -0.724 1
1 69 . 1 1 1 A 11 11 SER HA H 11 4.448 4.750 -0.302 1
1 71 . 1 1 1 A 11 11 SER C C 11 174.512 174.454 0.058 1
1 72 . 1 1 1 A 11 11 SER CA C 11 58.557 57.645 0.912 1
1 73 . 1 1 1 A 11 11 SER CB C 11 63.943 63.803 0.140 1
1 74 . 1 1 1 A 11 11 SER N N 11 117.043 120.212 -3.169 1
1 75 . 1 1 1 A 12 12 LYS H H 12 8.402 7.795 0.607 1
1 76 . 1 1 1 A 12 12 LYS HA H 12 4.359 4.274 0.085 1
1 79 . 1 1 1 A 12 12 LYS C C 12 176.592 175.242 1.350 1
1 80 . 1 1 1 A 12 12 LYS CA C 12 56.634 56.429 0.205 1
1 81 . 1 1 1 A 12 12 LYS CB C 12 33.127 31.457 1.670 1
1 82 . 1 1 1 A 12 12 LYS N N 12 123.023 119.588 3.435 1
1 83 . 1 1 1 A 13 13 MET H H 13 8.343 8.178 0.165 1
1 84 . 1 1 1 A 13 13 MET HA H 13 4.530 4.776 -0.246 1
1 88 . 1 1 1 A 13 13 MET C C 13 176.373 175.652 0.721 1
1 89 . 1 1 1 A 13 13 MET CA C 13 55.680 54.731 0.949 1
1 90 . 1 1 1 A 13 13 MET CB C 13 32.925 34.152 -1.227 1
1 91 . 1 1 1 A 13 13 MET N N 13 121.294 121.830 -0.536 1
1 92 . 1 1 1 A 14 14 THR H H 14 8.068 8.617 -0.549 1
1 93 . 1 1 1 A 14 14 THR HA H 14 4.333 4.484 -0.151 1
1 97 . 1 1 1 A 14 14 THR C C 14 174.246 175.103 -0.857 1
1 98 . 1 1 1 A 14 14 THR CA C 14 61.770 62.257 -0.487 1
1 99 . 1 1 1 A 14 14 THR CB C 14 69.894 71.003 -1.109 1
1 100 . 1 1 1 A 14 14 THR N N 14 115.254 120.080 -4.826 1
1 101 . 1 1 1 A 15 15 ALA H H 15 8.289 8.018 0.271 1
1 102 . 1 1 1 A 15 15 ALA HA H 15 4.344 3.967 0.377 1
1 106 . 1 1 1 A 15 15 ALA C C 15 178.080 177.398 0.682 1
1 107 . 1 1 1 A 15 15 ALA CA C 15 52.779 54.846 -2.067 1
1 108 . 1 1 1 A 15 15 ALA CB C 15 19.286 17.702 1.584 1
1 109 . 1 1 1 A 15 15 ALA N N 15 126.372 122.873 3.499 1
1 110 . 1 1 1 A 16 16 GLY H H 16 8.291 8.504 -0.213 1
1 111 . 1 1 1 A 16 16 GLY HA2 H 16 3.913 3.710 0.203 1
1 112 . 1 1 1 A 16 16 GLY C C 16 173.788 175.276 -1.488 1
1 113 . 1 1 1 A 16 16 GLY CA C 16 45.298 46.541 -1.243 1
1 114 . 1 1 1 A 16 16 GLY N N 16 108.095 105.069 3.026 1
1 115 . 1 1 1 A 17 17 ALA H H 17 8.000 8.358 -0.358 1
1 116 . 1 1 1 A 17 17 ALA HA H 17 4.292 4.460 -0.168 1
1 120 . 1 1 1 A 17 17 ALA C C 17 177.366 177.558 -0.192 1
1 121 . 1 1 1 A 17 17 ALA CA C 17 52.518 52.235 0.283 1
1 122 . 1 1 1 A 17 17 ALA CB C 17 19.577 21.167 -1.590 1
1 123 . 1 1 1 A 17 17 ALA N N 17 123.370 121.700 1.670 1
1 124 . 1 1 1 A 18 18 TYR H H 18 8.135 8.449 -0.314 1
1 125 . 1 1 1 A 18 18 TYR HA H 18 4.640 4.258 0.382 1
1 129 . 1 1 1 A 18 18 TYR C C 18 176.031 175.194 0.837 1
1 130 . 1 1 1 A 18 18 TYR CA C 18 57.973 59.318 -1.345 1
1 131 . 1 1 1 A 18 18 TYR CB C 18 38.661 35.804 2.857 1
1 132 . 1 1 1 A 18 18 TYR N N 18 119.212 114.132 5.080 1
1 133 . 1 1 1 A 19 19 THR H H 19 7.912 7.618 0.294 1
1 134 . 1 1 1 A 19 19 THR HA H 19 4.267 4.725 -0.458 1
1 139 . 1 1 1 A 19 19 THR C C 19 173.995 175.198 -1.203 1
1 140 . 1 1 1 A 19 19 THR CA C 19 61.848 60.365 1.483 1
1 141 . 1 1 1 A 19 19 THR CB C 19 69.756 69.090 0.666 1
1 142 . 1 1 1 A 19 19 THR N N 19 115.764 108.276 7.488 1
1 143 . 1 1 1 A 20 20 GLU H H 20 8.077 8.133 -0.056 1
1 144 . 1 1 1 A 20 20 GLU HA H 20 4.301 3.963 0.338 1
1 148 . 1 1 1 A 20 20 GLU C C 20 176.128 177.347 -1.219 1
1 149 . 1 1 1 A 20 20 GLU CA C 20 56.312 58.945 -2.633 1
1 150 . 1 1 1 A 20 20 GLU CB C 20 30.423 29.697 0.726 1
1 152 . 1 1 1 A 20 20 GLU N N 20 122.553 123.140 -0.587 1
1 153 . 1 1 1 A 21 21 GLY H H 21 7.966 7.821 0.145 1
1 154 . 1 1 1 A 21 21 GLY HA2 H 21 3.903 4.083 -0.180 1
1 155 . 1 1 1 A 21 21 GLY CA C 21 44.257 44.738 -0.481 1
1 156 . 1 1 1 A 21 21 GLY N N 21 109.544 106.811 2.733 1
1 157 . 1 1 1 A 22 22 PRO HA H 22 4.232 4.316 -0.084 1
1 164 . 1 1 1 A 22 22 PRO CA C 22 61.109 65.118 -4.009 1
1 165 . 1 1 1 A 22 22 PRO CB C 22 30.711 31.873 -1.162 1
1 168 . 1 1 1 A 23 23 PRO HA H 23 4.363 4.699 -0.336 1
1 174 . 1 1 1 A 23 23 PRO C C 23 176.567 175.389 1.178 1
1 175 . 1 1 1 A 23 23 PRO CA C 23 62.733 62.388 0.345 1
1 176 . 1 1 1 A 23 23 PRO CB C 23 32.048 33.001 -0.953 1
1 179 . 1 1 1 A 24 24 GLN H H 24 8.286 8.328 -0.042 1
1 180 . 1 1 1 A 24 24 GLN HA H 24 4.479 4.742 -0.263 1
1 186 . 1 1 1 A 24 24 GLN CA C 24 53.763 51.975 1.788 1
1 187 . 1 1 1 A 24 24 GLN CB C 24 28.800 30.886 -2.086 1
1 189 . 1 1 1 A 24 24 GLN N N 24 121.215 118.763 2.452 1
1 191 . 1 1 1 A 25 25 PRO HA H 25 4.389 4.740 -0.351 1
1 198 . 1 1 1 A 25 25 PRO C C 25 176.707 176.000 0.707 1
1 199 . 1 1 1 A 25 25 PRO CA C 25 62.867 62.769 0.098 1
1 200 . 1 1 1 A 25 25 PRO CB C 25 32.174 31.336 0.838 1
1 203 . 1 1 1 A 26 26 LEU H H 26 8.244 8.305 -0.061 1
1 204 . 1 1 1 A 26 26 LEU HA H 26 4.405 4.791 -0.386 1
1 214 . 1 1 1 A 26 26 LEU C C 26 177.517 175.597 1.920 1
1 215 . 1 1 1 A 26 26 LEU CA C 26 54.643 53.246 1.397 1
1 216 . 1 1 1 A 26 26 LEU CB C 26 43.618 46.036 -2.418 1
1 220 . 1 1 1 A 26 26 LEU N N 26 122.745 125.333 -2.588 1
1 221 . 1 1 1 A 27 27 SER H H 27 8.758 8.279 0.479 1
1 222 . 1 1 1 A 27 27 SER HA H 27 4.474 4.613 -0.139 1
1 225 . 1 1 1 A 27 27 SER C C 27 174.789 175.515 -0.726 1
1 226 . 1 1 1 A 27 27 SER CA C 27 57.461 58.282 -0.821 1
1 227 . 1 1 1 A 27 27 SER CB C 27 65.280 63.715 1.565 1
1 228 . 1 1 1 A 27 27 SER N N 27 117.967 119.283 -1.316 1
1 229 . 1 1 1 A 28 28 ALA H H 28 8.841 8.976 -0.135 1
1 230 . 1 1 1 A 28 28 ALA HA H 28 4.037 3.982 0.055 1
1 234 . 1 1 1 A 28 28 ALA CA C 28 55.346 55.358 -0.012 1
1 235 . 1 1 1 A 28 28 ALA CB C 28 18.347 18.315 0.032 1
1 236 . 1 1 1 A 28 28 ALA N N 28 124.144 128.720 -4.576 1
1 237 . 1 1 1 A 29 29 GLU H H 29 8.565 7.909 0.656 1
1 238 . 1 1 1 A 29 29 GLU HA H 29 4.026 4.097 -0.071 1
1 242 . 1 1 1 A 29 29 GLU C C 29 178.877 179.254 -0.377 1
1 243 . 1 1 1 A 29 29 GLU CA C 29 59.430 59.148 0.282 1
1 244 . 1 1 1 A 29 29 GLU CB C 29 29.244 29.053 0.191 1
1 246 . 1 1 1 A 29 29 GLU N N 29 117.527 117.949 -0.422 1
1 247 . 1 1 1 A 30 30 GLU H H 30 7.823 8.227 -0.404 1
1 248 . 1 1 1 A 30 30 GLU HA H 30 4.054 4.036 0.018 1
1 253 . 1 1 1 A 30 30 GLU C C 30 179.191 179.597 -0.406 1
1 254 . 1 1 1 A 30 30 GLU CA C 30 59.037 59.188 -0.151 1
1 255 . 1 1 1 A 30 30 GLU CB C 30 30.102 29.259 0.843 1
1 257 . 1 1 1 A 30 30 GLU N N 30 120.773 121.275 -0.502 1
1 258 . 1 1 1 A 31 31 LYS H H 31 8.246 7.607 0.639 1
1 259 . 1 1 1 A 31 31 LYS HA H 31 3.844 4.160 -0.316 1
1 266 . 1 1 1 A 31 31 LYS C C 31 177.968 179.149 -1.181 1
1 267 . 1 1 1 A 31 31 LYS CA C 31 59.889 59.156 0.733 1
1 268 . 1 1 1 A 31 31 LYS CB C 31 32.350 32.436 -0.086 1
1 272 . 1 1 1 A 31 31 LYS N N 31 119.315 119.919 -0.604 1
1 273 . 1 1 1 A 32 32 LYS H H 32 7.698 7.595 0.103 1
1 274 . 1 1 1 A 32 32 LYS HA H 32 4.043 4.110 -0.067 1
1 282 . 1 1 1 A 32 32 LYS C C 32 178.848 179.670 -0.822 1
1 283 . 1 1 1 A 32 32 LYS CA C 32 59.479 59.773 -0.294 1
1 284 . 1 1 1 A 32 32 LYS CB C 32 32.459 32.150 0.309 1
1 288 . 1 1 1 A 32 32 LYS N N 32 118.195 119.727 -1.532 1
1 289 . 1 1 1 A 33 33 GLU H H 33 7.512 8.209 -0.697 1
1 290 . 1 1 1 A 33 33 GLU HA H 33 4.031 4.036 -0.005 1
1 295 . 1 1 1 A 33 33 GLU C C 33 178.989 179.564 -0.575 1
1 296 . 1 1 1 A 33 33 GLU CA C 33 59.157 59.106 0.051 1
1 297 . 1 1 1 A 33 33 GLU CB C 33 29.220 29.350 -0.130 1
1 299 . 1 1 1 A 33 33 GLU N N 33 118.459 119.919 -1.460 1
1 300 . 1 1 1 A 34 34 ILE H H 34 7.912 7.381 0.531 1
1 301 . 1 1 1 A 34 34 ILE HA H 34 3.503 3.854 -0.351 1
1 311 . 1 1 1 A 34 34 ILE C C 34 180.639 177.398 3.241 1
1 312 . 1 1 1 A 34 34 ILE CA C 34 65.305 64.026 1.279 1
1 313 . 1 1 1 A 34 34 ILE CB C 34 38.540 37.446 1.094 1
1 317 . 1 1 1 A 34 34 ILE N N 34 120.176 117.498 2.678 1
1 318 . 1 1 1 A 35 35 ASP H H 35 8.457 8.449 0.008 1
1 319 . 1 1 1 A 35 35 ASP HA H 35 4.145 4.299 -0.154 1
1 322 . 1 1 1 A 35 35 ASP C C 35 178.790 177.536 1.254 1
1 323 . 1 1 1 A 35 35 ASP CA C 35 58.322 56.562 1.760 1
1 324 . 1 1 1 A 35 35 ASP CB C 35 39.538 39.659 -0.121 1
1 325 . 1 1 1 A 35 35 ASP N N 35 123.589 122.574 1.015 1
1 326 . 1 1 1 A 36 36 LYS H H 36 7.573 8.008 -0.435 1
1 327 . 1 1 1 A 36 36 LYS HA H 36 4.187 4.143 0.044 1
1 334 . 1 1 1 A 36 36 LYS C C 36 176.400 177.800 -1.400 1
1 335 . 1 1 1 A 36 36 LYS CA C 36 58.656 58.969 -0.313 1
1 336 . 1 1 1 A 36 36 LYS CB C 36 32.991 32.042 0.949 1
1 340 . 1 1 1 A 36 36 LYS N N 36 117.506 118.282 -0.776 1
1 341 . 1 1 1 A 37 37 ARG H H 37 7.397 8.048 -0.651 1
1 342 . 1 1 1 A 37 37 ARG HA H 37 4.658 4.592 0.066 1
1 348 . 1 1 1 A 37 37 ARG C C 37 174.361 175.653 -1.292 1
1 349 . 1 1 1 A 37 37 ARG CA C 37 55.793 55.732 0.061 1
1 350 . 1 1 1 A 37 37 ARG CB C 37 31.260 31.298 -0.038 1
1 353 . 1 1 1 A 37 37 ARG N N 37 115.182 114.680 0.502 1
1 354 . 1 1 1 A 38 38 SER H H 38 7.416 7.525 -0.109 1
1 355 . 1 1 1 A 38 38 SER HA H 38 6.346 5.280 1.066 1
1 358 . 1 1 1 A 38 38 SER C C 38 173.807 173.366 0.441 1
1 359 . 1 1 1 A 38 38 SER CA C 38 57.574 56.107 1.467 1
1 360 . 1 1 1 A 38 38 SER CB C 38 67.003 66.094 0.909 1
1 361 . 1 1 1 A 38 38 SER N N 38 112.872 115.963 -3.091 1
1 362 . 1 1 1 A 39 39 VAL H H 39 8.812 8.886 -0.074 1
1 363 . 1 1 1 A 39 39 VAL HA H 39 5.117 4.968 0.149 1
1 371 . 1 1 1 A 39 39 VAL C C 39 174.519 173.410 1.109 1
1 372 . 1 1 1 A 39 39 VAL CA C 39 59.085 60.291 -1.206 1
1 373 . 1 1 1 A 39 39 VAL CB C 39 34.476 35.892 -1.416 1
1 376 . 1 1 1 A 39 39 VAL N N 39 111.961 123.055 -11.094 1
1 377 . 1 1 1 A 40 40 TYR H H 40 9.366 9.656 -0.290 1
1 378 . 1 1 1 A 40 40 TYR HA H 40 5.108 5.500 -0.392 1
1 385 . 1 1 1 A 40 40 TYR C C 40 172.976 173.857 -0.881 1
1 386 . 1 1 1 A 40 40 TYR CA C 40 56.633 55.925 0.708 1
1 387 . 1 1 1 A 40 40 TYR CB C 40 41.058 41.293 -0.235 1
1 390 . 1 1 1 A 40 40 TYR N N 40 123.743 126.362 -2.619 1
1 391 . 1 1 1 A 41 41 VAL H H 41 8.734 9.277 -0.543 1
1 392 . 1 1 1 A 41 41 VAL HA H 41 4.876 4.439 0.437 1
1 400 . 1 1 1 A 41 41 VAL C C 41 174.651 174.793 -0.142 1
1 401 . 1 1 1 A 41 41 VAL CA C 41 59.798 60.587 -0.789 1
1 402 . 1 1 1 A 41 41 VAL CB C 41 33.329 32.528 0.801 1
1 405 . 1 1 1 A 41 41 VAL N N 41 127.436 127.198 0.238 1
1 406 . 1 1 1 A 42 42 GLY H H 42 9.669 8.478 1.191 1
1 407 . 1 1 1 A 42 42 GLY HA2 H 42 3.612 3.816 -0.204 1
1 408 . 1 1 1 A 42 42 GLY HA3 H 42 4.392 3.839 0.553 1
1 409 . 1 1 1 A 42 42 GLY C C 42 173.639 174.087 -0.448 1
1 410 . 1 1 1 A 42 42 GLY CA C 42 44.169 43.126 1.043 1
1 411 . 1 1 1 A 42 42 GLY N N 42 113.263 114.678 -1.415 1
1 412 . 1 1 1 A 43 43 ASN H H 43 8.412 8.831 -0.419 1
1 413 . 1 1 1 A 43 43 ASN HA H 43 4.510 4.318 0.192 1
1 418 . 1 1 1 A 43 43 ASN C C 43 174.364 175.150 -0.786 1
1 419 . 1 1 1 A 43 43 ASN CA C 43 53.557 54.283 -0.726 1
1 420 . 1 1 1 A 43 43 ASN CB C 43 37.283 38.174 -0.891 1
1 421 . 1 1 1 A 43 43 ASN N N 43 115.451 118.465 -3.014 1
1 423 . 1 1 1 A 44 44 VAL H H 44 7.083 7.822 -0.739 1
1 424 . 1 1 1 A 44 44 VAL HA H 44 3.975 3.980 -0.005 1
1 432 . 1 1 1 A 44 44 VAL C C 44 175.885 174.627 1.258 1
1 433 . 1 1 1 A 44 44 VAL CA C 44 61.614 62.559 -0.945 1
1 434 . 1 1 1 A 44 44 VAL CB C 44 32.914 32.959 -0.045 1
1 437 . 1 1 1 A 44 44 VAL N N 44 115.399 119.929 -4.530 1
1 438 . 1 1 1 A 45 45 ASP H H 45 8.305 8.684 -0.379 1
1 439 . 1 1 1 A 45 45 ASP HA H 45 4.467 4.824 -0.357 1
1 442 . 1 1 1 A 45 45 ASP C C 45 177.205 176.875 0.330 1
1 443 . 1 1 1 A 45 45 ASP CA C 45 54.613 54.541 0.072 1
1 444 . 1 1 1 A 45 45 ASP CB C 45 43.657 43.075 0.582 1
1 445 . 1 1 1 A 45 45 ASP N N 45 124.440 126.734 -2.294 1
1 446 . 1 1 1 A 46 46 TYR H H 46 8.715 9.178 -0.463 1
1 447 . 1 1 1 A 46 46 TYR HA H 46 4.483 4.188 0.295 1
1 454 . 1 1 1 A 46 46 TYR C C 46 175.453 177.660 -2.207 1
1 455 . 1 1 1 A 46 46 TYR CA C 46 59.464 61.339 -1.875 1
1 456 . 1 1 1 A 46 46 TYR CB C 46 38.753 39.048 -0.295 1
1 458 . 1 1 1 A 46 46 TYR N N 46 125.588 127.691 -2.103 1
1 459 . 1 1 1 A 47 47 GLY H H 47 8.387 8.885 -0.498 1
1 460 . 1 1 1 A 47 47 GLY HA2 H 47 3.561 3.999 -0.438 1
1 461 . 1 1 1 A 47 47 GLY HA3 H 47 4.348 4.015 0.333 1
1 462 . 1 1 1 A 47 47 GLY C C 47 173.578 174.678 -1.100 1
1 463 . 1 1 1 A 47 47 GLY CA C 47 44.965 46.424 -1.459 1
1 464 . 1 1 1 A 47 47 GLY N N 47 106.974 106.882 0.092 1
1 465 . 1 1 1 A 48 48 SER H H 48 7.417 8.166 -0.749 1
1 466 . 1 1 1 A 48 48 SER HA H 48 4.428 4.740 -0.312 1
1 468 . 1 1 1 A 48 48 SER C C 48 173.220 173.735 -0.515 1
1 469 . 1 1 1 A 48 48 SER CA C 48 59.892 57.423 2.469 1
1 470 . 1 1 1 A 48 48 SER CB C 48 64.519 62.016 2.503 1
1 471 . 1 1 1 A 48 48 SER N N 48 115.423 115.208 0.215 1
1 472 . 1 1 1 A 49 49 THR H H 49 8.474 8.538 -0.064 1
1 473 . 1 1 1 A 49 49 THR HA H 49 4.660 4.431 0.229 1
1 478 . 1 1 1 A 49 49 THR C C 49 175.940 175.778 0.162 1
1 479 . 1 1 1 A 49 49 THR CA C 49 58.831 60.849 -2.018 1
1 480 . 1 1 1 A 49 49 THR CB C 49 72.585 70.907 1.678 1
1 482 . 1 1 1 A 49 49 THR N N 49 112.103 117.514 -5.411 1
1 483 . 1 1 1 A 50 50 ALA H H 50 9.723 8.944 0.779 1
1 484 . 1 1 1 A 50 50 ALA HA H 50 3.923 3.958 -0.035 1
1 488 . 1 1 1 A 50 50 ALA C C 50 179.045 179.933 -0.888 1
1 489 . 1 1 1 A 50 50 ALA CA C 50 55.643 55.571 0.072 1
1 490 . 1 1 1 A 50 50 ALA CB C 50 18.259 18.193 0.066 1
1 491 . 1 1 1 A 50 50 ALA N N 50 123.988 123.764 0.224 1
1 492 . 1 1 1 A 51 51 GLN H H 51 7.730 8.255 -0.525 1
1 493 . 1 1 1 A 51 51 GLN HA H 51 3.940 3.938 0.002 1
1 500 . 1 1 1 A 51 51 GLN C C 51 178.215 178.055 0.160 1
1 501 . 1 1 1 A 51 51 GLN CA C 51 59.096 59.134 -0.038 1
1 502 . 1 1 1 A 51 51 GLN CB C 51 28.508 28.079 0.429 1
1 504 . 1 1 1 A 51 51 GLN N N 51 116.375 117.472 -1.097 1
1 505 . 1 1 1 A 52 52 ASP H H 52 8.273 8.093 0.180 1
1 506 . 1 1 1 A 52 52 ASP HA H 52 4.587 4.462 0.125 1
1 507 . 1 1 1 A 52 52 ASP C C 52 179.837 178.360 1.477 1
1 508 . 1 1 1 A 52 52 ASP CA C 52 57.556 57.271 0.285 1
1 509 . 1 1 1 A 52 52 ASP CB C 52 41.057 40.994 0.063 1
1 510 . 1 1 1 A 52 52 ASP N N 52 120.755 120.504 0.251 1
1 511 . 1 1 1 A 53 53 LEU H H 53 7.855 8.216 -0.361 1
1 512 . 1 1 1 A 53 53 LEU HA H 53 3.933 4.135 -0.202 1
1 522 . 1 1 1 A 53 53 LEU C C 53 178.463 178.872 -0.409 1
1 523 . 1 1 1 A 53 53 LEU CA C 53 58.367 58.086 0.281 1
1 524 . 1 1 1 A 53 53 LEU CB C 53 42.646 41.506 1.140 1
1 528 . 1 1 1 A 53 53 LEU N N 53 122.035 120.566 1.469 1
1 529 . 1 1 1 A 54 54 GLU H H 54 8.804 8.909 -0.105 1
1 530 . 1 1 1 A 54 54 GLU HA H 54 3.745 4.100 -0.355 1
1 534 . 1 1 1 A 54 54 GLU C C 54 178.467 178.979 -0.512 1
1 535 . 1 1 1 A 54 54 GLU CA C 54 59.833 59.414 0.419 1
1 536 . 1 1 1 A 54 54 GLU CB C 54 29.238 29.715 -0.477 1
1 538 . 1 1 1 A 54 54 GLU N N 54 120.472 118.619 1.853 1
1 539 . 1 1 1 A 55 55 ALA H H 55 8.098 7.737 0.361 1
1 540 . 1 1 1 A 55 55 ALA HA H 55 4.249 4.196 0.053 1
1 544 . 1 1 1 A 55 55 ALA C C 55 180.711 179.965 0.746 1
1 545 . 1 1 1 A 55 55 ALA CA C 55 55.077 55.049 0.028 1
1 546 . 1 1 1 A 55 55 ALA CB C 55 18.164 18.564 -0.400 1
1 547 . 1 1 1 A 55 55 ALA N N 55 119.302 122.546 -3.244 1
1 548 . 1 1 1 A 56 56 HIS H H 56 7.927 7.630 0.297 1
1 549 . 1 1 1 A 56 56 HIS HA H 56 4.281 4.260 0.021 1
1 553 . 1 1 1 A 56 56 HIS C C 56 176.342 177.061 -0.719 1
1 554 . 1 1 1 A 56 56 HIS CA C 56 59.362 59.148 0.214 1
1 555 . 1 1 1 A 56 56 HIS CB C 56 31.200 29.577 1.623 1
1 556 . 1 1 1 A 56 56 HIS N N 56 117.016 118.131 -1.115 1
1 557 . 1 1 1 A 57 57 PHE H H 57 7.811 7.980 -0.169 1
1 558 . 1 1 1 A 57 57 PHE HA H 57 4.554 4.416 0.138 1
1 565 . 1 1 1 A 57 57 PHE C C 57 177.301 177.982 -0.681 1
1 566 . 1 1 1 A 57 57 PHE CA C 57 59.480 61.703 -2.223 1
1 567 . 1 1 1 A 57 57 PHE CB C 57 40.432 38.944 1.488 1
1 571 . 1 1 1 A 57 57 PHE N N 57 111.423 115.759 -4.336 1
1 572 . 1 1 1 A 58 58 SER H H 58 8.126 8.646 -0.520 1
1 573 . 1 1 1 A 58 58 SER HA H 58 4.468 4.476 -0.008 1
1 575 . 1 1 1 A 58 58 SER C C 58 176.676 177.063 -0.387 1
1 576 . 1 1 1 A 58 58 SER CA C 58 62.159 61.267 0.892 1
1 577 . 1 1 1 A 58 58 SER N N 58 118.439 116.326 2.113 1
1 578 . 1 1 1 A 59 59 SER H H 59 8.422 7.735 0.687 1
1 579 . 1 1 1 A 59 59 SER HA H 59 4.291 4.301 -0.010 1
1 581 . 1 1 1 A 59 59 SER C C 59 175.955 174.766 1.189 1
1 582 . 1 1 1 A 59 59 SER CA C 59 60.277 61.208 -0.931 1
1 583 . 1 1 1 A 59 59 SER CB C 59 62.444 63.066 -0.622 1
1 584 . 1 1 1 A 59 59 SER N N 59 116.618 116.693 -0.075 1
1 585 . 1 1 1 A 60 60 CYS H H 60 8.226 7.932 0.294 1
1 586 . 1 1 1 A 60 60 CYS HA H 60 4.067 4.460 -0.393 1
1 589 . 1 1 1 A 60 60 CYS C C 60 174.682 174.236 0.446 1
1 590 . 1 1 1 A 60 60 CYS CA C 60 60.683 59.460 1.223 1
1 591 . 1 1 1 A 60 60 CYS CB C 60 28.894 28.477 0.417 1
1 592 . 1 1 1 A 60 60 CYS N N 60 118.900 117.291 1.609 1
1 593 . 1 1 1 A 61 61 GLY H H 61 7.414 7.153 0.261 1
1 594 . 1 1 1 A 61 61 GLY HA2 H 61 3.887 4.021 -0.134 1
1 595 . 1 1 1 A 61 61 GLY HA3 H 61 4.489 4.101 0.388 1
1 596 . 1 1 1 A 61 61 GLY C C 61 171.619 172.275 -0.656 1
1 597 . 1 1 1 A 61 61 GLY CA C 61 44.000 44.690 -0.690 1
1 598 . 1 1 1 A 61 61 GLY N N 61 106.320 108.984 -2.664 1
1 599 . 1 1 1 A 62 62 SER H H 62 8.182 8.642 -0.460 1
1 600 . 1 1 1 A 62 62 SER HA H 62 4.420 5.476 -1.056 1
1 603 . 1 1 1 A 62 62 SER C C 62 175.295 173.707 1.588 1
1 604 . 1 1 1 A 62 62 SER CA C 62 59.839 56.713 3.126 1
1 605 . 1 1 1 A 62 62 SER CB C 62 63.617 64.745 -1.128 1
1 606 . 1 1 1 A 62 62 SER N N 62 112.485 114.266 -1.781 1
1 607 . 1 1 1 A 63 63 ILE H H 63 8.857 9.092 -0.235 1
1 608 . 1 1 1 A 63 63 ILE HA H 63 4.007 4.090 -0.083 1
1 618 . 1 1 1 A 63 63 ILE C C 63 175.045 175.871 -0.826 1
1 619 . 1 1 1 A 63 63 ILE CA C 63 61.979 61.620 0.359 1
1 620 . 1 1 1 A 63 63 ILE CB C 63 41.048 38.089 2.959 1
1 624 . 1 1 1 A 63 63 ILE N N 63 127.966 125.104 2.862 1
1 625 . 1 1 1 A 64 64 ASN H H 64 8.897 9.392 -0.495 1
1 626 . 1 1 1 A 64 64 ASN HA H 64 4.667 4.810 -0.143 1
1 631 . 1 1 1 A 64 64 ASN C C 64 174.686 174.437 0.249 1
1 632 . 1 1 1 A 64 64 ASN CA C 64 53.627 54.663 -1.036 1
1 633 . 1 1 1 A 64 64 ASN CB C 64 40.062 40.144 -0.082 1
1 634 . 1 1 1 A 64 64 ASN N N 64 124.997 125.588 -0.591 1
1 636 . 1 1 1 A 65 65 ARG H H 65 7.419 7.646 -0.227 1
1 637 . 1 1 1 A 65 65 ARG HA H 65 5.155 4.876 0.279 1
1 645 . 1 1 1 A 65 65 ARG C C 65 173.788 174.276 -0.488 1
1 646 . 1 1 1 A 65 65 ARG CA C 65 55.703 54.751 0.952 1
1 647 . 1 1 1 A 65 65 ARG CB C 65 35.408 35.011 0.397 1
1 650 . 1 1 1 A 65 65 ARG N N 65 116.737 115.826 0.911 1
1 652 . 1 1 1 A 66 66 ILE H H 66 8.681 8.630 0.051 1
1 653 . 1 1 1 A 66 66 ILE HA H 66 4.574 5.275 -0.701 1
1 663 . 1 1 1 A 66 66 ILE C C 66 173.717 174.385 -0.668 1
1 664 . 1 1 1 A 66 66 ILE CA C 66 61.049 59.111 1.938 1
1 665 . 1 1 1 A 66 66 ILE CB C 66 42.988 42.289 0.699 1
1 669 . 1 1 1 A 66 66 ILE N N 66 123.359 117.676 5.683 1
1 670 . 1 1 1 A 67 67 THR H H 67 8.861 8.911 -0.050 1
1 671 . 1 1 1 A 67 67 THR HA H 67 5.378 5.110 0.268 1
1 676 . 1 1 1 A 67 67 THR C C 67 173.526 173.425 0.101 1
1 677 . 1 1 1 A 67 67 THR CA C 67 61.112 61.932 -0.820 1
1 678 . 1 1 1 A 67 67 THR CB C 67 70.857 70.827 0.030 1
1 680 . 1 1 1 A 67 67 THR N N 67 124.375 118.658 5.717 1
1 681 . 1 1 1 A 68 68 ILE H H 68 9.768 9.137 0.631 1
1 682 . 1 1 1 A 68 68 ILE HA H 68 4.333 4.912 -0.579 1
1 692 . 1 1 1 A 68 68 ILE C C 68 173.743 174.994 -1.251 1
1 693 . 1 1 1 A 68 68 ILE CA C 68 61.237 59.618 1.619 1
1 694 . 1 1 1 A 68 68 ILE CB C 68 40.908 40.667 0.241 1
1 698 . 1 1 1 A 68 68 ILE N N 68 127.340 128.795 -1.455 1
1 699 . 1 1 1 A 69 69 LEU H H 69 9.045 9.540 -0.495 1
1 700 . 1 1 1 A 69 69 LEU HA H 69 5.074 5.111 -0.037 1
1 710 . 1 1 1 A 69 69 LEU C C 69 175.502 175.379 0.123 1
1 711 . 1 1 1 A 69 69 LEU CA C 69 55.186 52.980 2.206 1
1 712 . 1 1 1 A 69 69 LEU CB C 69 42.702 44.629 -1.927 1
1 716 . 1 1 1 A 69 69 LEU N N 69 128.686 125.517 3.169 1
1 717 . 1 1 1 A 70 70 CYS H H 70 8.767 8.896 -0.129 1
1 718 . 1 1 1 A 70 70 CYS HA H 70 5.237 6.225 -0.988 1
1 720 . 1 1 1 A 70 70 CYS C C 70 173.558 173.431 0.127 1
1 721 . 1 1 1 A 70 70 CYS CA C 70 57.609 56.863 0.746 1
1 722 . 1 1 1 A 70 70 CYS CB C 70 29.830 29.299 0.531 1
1 723 . 1 1 1 A 70 70 CYS N N 70 120.856 121.632 -0.776 1
1 724 . 1 1 1 A 71 71 ASP H H 71 9.109 8.593 0.516 1
1 725 . 1 1 1 A 71 71 ASP HA H 71 5.193 5.417 -0.224 1
1 728 . 1 1 1 A 71 71 ASP C C 71 175.440 176.499 -1.059 1
1 729 . 1 1 1 A 71 71 ASP CA C 71 53.705 52.574 1.131 1
1 730 . 1 1 1 A 71 71 ASP CB C 71 44.774 42.554 2.220 1
1 731 . 1 1 1 A 71 71 ASP N N 71 124.936 124.170 0.766 1
1 732 . 1 1 1 A 72 72 LYS H H 72 8.262 8.685 -0.423 1
1 733 . 1 1 1 A 72 72 LYS HA H 72 4.553 4.493 0.060 1
1 740 . 1 1 1 A 72 72 LYS C C 72 177.732 177.163 0.569 1
1 741 . 1 1 1 A 72 72 LYS CA C 72 55.608 56.314 -0.706 1
1 742 . 1 1 1 A 72 72 LYS CB C 72 32.469 32.157 0.312 1
1 745 . 1 1 1 A 72 72 LYS N N 72 120.339 122.570 -2.231 1
1 746 . 1 1 1 A 73 73 PHE H H 73 8.663 7.850 0.813 1
1 747 . 1 1 1 A 73 73 PHE HA H 73 4.357 4.301 0.056 1
1 752 . 1 1 1 A 73 73 PHE C C 73 177.148 177.260 -0.112 1
1 753 . 1 1 1 A 73 73 PHE CA C 73 60.214 60.592 -0.378 1
1 754 . 1 1 1 A 73 73 PHE CB C 73 39.157 38.493 0.664 1
1 756 . 1 1 1 A 73 73 PHE N N 73 121.961 119.463 2.498 1
1 757 . 1 1 1 A 74 74 SER H H 74 8.780 7.904 0.876 1
1 758 . 1 1 1 A 74 74 SER HA H 74 4.353 4.624 -0.271 1
1 760 . 1 1 1 A 74 74 SER C C 74 174.810 174.768 0.042 1
1 761 . 1 1 1 A 74 74 SER CA C 74 58.965 58.627 0.338 1
1 762 . 1 1 1 A 74 74 SER CB C 74 63.650 63.598 0.052 1
1 763 . 1 1 1 A 74 74 SER N N 74 114.021 112.599 1.422 1
1 764 . 1 1 1 A 75 75 GLY H H 75 8.004 8.453 -0.449 1
1 765 . 1 1 1 A 75 75 GLY HA2 H 75 3.635 3.900 -0.265 1
1 766 . 1 1 1 A 75 75 GLY HA3 H 75 4.221 3.918 0.303 1
1 767 . 1 1 1 A 75 75 GLY C C 75 173.254 173.635 -0.381 1
1 768 . 1 1 1 A 75 75 GLY CA C 75 45.162 45.627 -0.465 1
1 769 . 1 1 1 A 75 75 GLY N N 75 108.714 109.668 -0.954 1
1 770 . 1 1 1 A 76 76 HIS H H 76 7.670 8.281 -0.611 1
1 771 . 1 1 1 A 76 76 HIS HA H 76 5.020 4.708 0.312 1
1 775 . 1 1 1 A 76 76 HIS CA C 76 52.522 53.886 -1.364 1
1 776 . 1 1 1 A 76 76 HIS CB C 76 29.410 30.693 -1.283 1
1 777 . 1 1 1 A 76 76 HIS N N 76 118.164 119.243 -1.079 1
1 778 . 1 1 1 A 77 77 PRO HA H 77 4.551 4.985 -0.434 1
1 784 . 1 1 1 A 77 77 PRO C C 77 176.458 176.415 0.043 1
1 785 . 1 1 1 A 77 77 PRO CA C 77 63.263 63.081 0.182 1
1 786 . 1 1 1 A 77 77 PRO CB C 77 32.077 31.814 0.263 1
1 789 . 1 1 1 A 78 78 LYS H H 78 8.846 8.743 0.103 1
1 790 . 1 1 1 A 78 78 LYS HA H 78 4.772 5.089 -0.317 1
1 796 . 1 1 1 A 78 78 LYS CA C 78 55.964 54.951 1.013 1
1 797 . 1 1 1 A 78 78 LYS CB C 78 35.816 35.044 0.772 1
1 799 . 1 1 1 A 78 78 LYS N N 78 124.197 122.596 1.601 1
1 800 . 1 1 1 A 79 79 GLY H H 79 8.352 8.422 -0.070 1
1 801 . 1 1 1 A 79 79 GLY HA2 H 79 3.871 4.248 -0.377 1
1 802 . 1 1 1 A 79 79 GLY HA3 H 79 5.451 4.292 1.159 1
1 803 . 1 1 1 A 79 79 GLY C C 79 173.400 171.737 1.663 1
1 804 . 1 1 1 A 79 79 GLY CA C 79 45.189 44.176 1.013 1
1 805 . 1 1 1 A 79 79 GLY N N 79 109.568 109.561 0.007 1
1 806 . 1 1 1 A 80 80 TYR H H 80 8.856 9.165 -0.309 1
1 807 . 1 1 1 A 80 80 TYR HA H 80 4.940 5.217 -0.277 1
1 814 . 1 1 1 A 80 80 TYR C C 80 171.720 174.678 -2.958 1
1 815 . 1 1 1 A 80 80 TYR CA C 80 56.267 56.375 -0.108 1
1 816 . 1 1 1 A 80 80 TYR CB C 80 40.003 42.482 -2.479 1
1 818 . 1 1 1 A 80 80 TYR N N 80 120.052 122.064 -2.012 1
1 819 . 1 1 1 A 81 81 ALA H H 81 9.215 9.132 0.083 1
1 820 . 1 1 1 A 81 81 ALA HA H 81 5.386 5.260 0.126 1
1 824 . 1 1 1 A 81 81 ALA C C 81 175.357 175.189 0.168 1
1 825 . 1 1 1 A 81 81 ALA CA C 81 50.089 50.598 -0.509 1
1 826 . 1 1 1 A 81 81 ALA CB C 81 24.030 22.789 1.241 1
1 827 . 1 1 1 A 81 81 ALA N N 81 120.138 122.157 -2.019 1
1 828 . 1 1 1 A 82 82 TYR H H 82 8.974 9.440 -0.466 1
1 829 . 1 1 1 A 82 82 TYR HA H 82 5.885 5.584 0.301 1
1 836 . 1 1 1 A 82 82 TYR C C 82 176.232 174.408 1.824 1
1 837 . 1 1 1 A 82 82 TYR CA C 82 55.626 56.710 -1.084 1
1 838 . 1 1 1 A 82 82 TYR CB C 82 41.536 40.116 1.420 1
1 839 . 1 1 1 A 82 82 TYR N N 82 114.621 120.179 -5.558 1
1 840 . 1 1 1 A 83 83 ILE H H 83 8.644 8.953 -0.309 1
1 841 . 1 1 1 A 83 83 ILE HA H 83 4.275 4.404 -0.129 1
1 851 . 1 1 1 A 83 83 ILE C C 83 173.516 174.718 -1.202 1
1 852 . 1 1 1 A 83 83 ILE CA C 83 60.345 59.770 0.575 1
1 853 . 1 1 1 A 83 83 ILE CB C 83 39.535 38.017 1.518 1
1 857 . 1 1 1 A 83 83 ILE N N 83 122.447 124.428 -1.981 1
1 858 . 1 1 1 A 84 84 GLU H H 84 8.612 9.261 -0.649 1
1 859 . 1 1 1 A 84 84 GLU HA H 84 4.801 4.827 -0.026 1
1 862 . 1 1 1 A 84 84 GLU C C 84 176.111 175.671 0.440 1
1 863 . 1 1 1 A 84 84 GLU CA C 84 54.496 54.731 -0.235 1
1 864 . 1 1 1 A 84 84 GLU CB C 84 31.499 31.429 0.070 1
1 865 . 1 1 1 A 84 84 GLU N N 84 127.346 126.931 0.415 1
1 866 . 1 1 1 A 85 85 PHE H H 85 9.087 8.833 0.254 1
1 867 . 1 1 1 A 85 85 PHE HA H 85 4.817 4.865 -0.048 1
1 875 . 1 1 1 A 85 85 PHE C C 85 174.422 176.797 -2.375 1
1 876 . 1 1 1 A 85 85 PHE CA C 85 59.072 57.970 1.102 1
1 877 . 1 1 1 A 85 85 PHE CB C 85 40.765 41.430 -0.665 1
1 878 . 1 1 1 A 85 85 PHE N N 85 128.049 123.913 4.136 1
1 879 . 1 1 1 A 86 86 ALA H H 86 8.192 9.291 -1.099 1
1 880 . 1 1 1 A 86 86 ALA HA H 86 4.239 4.255 -0.016 1
1 884 . 1 1 1 A 86 86 ALA C C 86 178.143 177.728 0.415 1
1 885 . 1 1 1 A 86 86 ALA CA C 86 54.524 54.353 0.171 1
1 886 . 1 1 1 A 86 86 ALA CB C 86 19.510 19.541 -0.031 1
1 887 . 1 1 1 A 86 86 ALA N N 86 120.669 122.740 -2.071 1
1 888 . 1 1 1 A 87 87 GLU H H 87 8.455 8.118 0.337 1
1 889 . 1 1 1 A 87 87 GLU HA H 87 4.765 4.722 0.043 1
1 893 . 1 1 1 A 87 87 GLU C C 87 176.472 176.759 -0.287 1
1 894 . 1 1 1 A 87 87 GLU CA C 87 54.353 55.211 -0.858 1
1 895 . 1 1 1 A 87 87 GLU CB C 87 32.624 32.566 0.058 1
1 897 . 1 1 1 A 87 87 GLU N N 87 114.204 116.512 -2.308 1
1 898 . 1 1 1 A 88 88 ARG H H 88 8.917 8.909 0.008 1
1 899 . 1 1 1 A 88 88 ARG HA H 88 3.961 3.990 -0.029 1
1 905 . 1 1 1 A 88 88 ARG C C 88 178.900 178.388 0.512 1
1 906 . 1 1 1 A 88 88 ARG CA C 88 59.548 59.454 0.094 1
1 907 . 1 1 1 A 88 88 ARG CB C 88 30.073 29.832 0.241 1
1 910 . 1 1 1 A 88 88 ARG N N 88 121.592 123.592 -2.000 1
1 911 . 1 1 1 A 89 89 ASN H H 89 8.845 8.050 0.795 1
1 912 . 1 1 1 A 89 89 ASN HA H 89 4.497 4.429 0.068 1
1 916 . 1 1 1 A 89 89 ASN C C 89 177.179 177.690 -0.511 1
1 917 . 1 1 1 A 89 89 ASN CA C 89 55.861 55.988 -0.127 1
1 918 . 1 1 1 A 89 89 ASN CB C 89 37.330 37.984 -0.654 1
1 919 . 1 1 1 A 89 89 ASN N N 89 116.555 118.643 -2.088 1
1 921 . 1 1 1 A 90 90 SER H H 90 7.513 7.925 -0.412 1
1 922 . 1 1 1 A 90 90 SER HA H 90 4.006 4.275 -0.269 1
1 925 . 1 1 1 A 90 90 SER C C 90 174.511 175.852 -1.341 1
1 926 . 1 1 1 A 90 90 SER CA C 90 61.395 62.298 -0.903 1
1 927 . 1 1 1 A 90 90 SER CB C 90 63.424 62.470 0.954 1
1 928 . 1 1 1 A 90 90 SER N N 90 116.007 115.903 0.104 1
1 929 . 1 1 1 A 91 91 VAL H H 91 7.653 7.643 0.010 1
1 930 . 1 1 1 A 91 91 VAL HA H 91 3.201 3.699 -0.498 1
1 938 . 1 1 1 A 91 91 VAL C C 91 176.991 177.327 -0.336 1
1 939 . 1 1 1 A 91 91 VAL CA C 91 66.851 65.135 1.716 1
1 940 . 1 1 1 A 91 91 VAL CB C 91 31.599 31.232 0.367 1
1 943 . 1 1 1 A 91 91 VAL N N 91 119.934 119.697 0.237 1
1 944 . 1 1 1 A 92 92 ASP H H 92 7.192 7.790 -0.598 1
1 945 . 1 1 1 A 92 92 ASP HA H 92 4.321 4.374 -0.053 1
1 947 . 1 1 1 A 92 92 ASP C C 92 178.585 178.151 0.434 1
1 948 . 1 1 1 A 92 92 ASP CA C 92 57.401 57.038 0.363 1
1 949 . 1 1 1 A 92 92 ASP CB C 92 40.078 41.158 -1.080 1
1 950 . 1 1 1 A 92 92 ASP N N 92 117.084 121.003 -3.919 1
1 951 . 1 1 1 A 93 93 ALA H H 93 6.946 7.785 -0.839 1
1 952 . 1 1 1 A 93 93 ALA HA H 93 4.186 4.194 -0.008 1
1 956 . 1 1 1 A 93 93 ALA C C 93 179.272 179.908 -0.636 1
1 957 . 1 1 1 A 93 93 ALA CA C 93 54.445 54.635 -0.190 1
1 958 . 1 1 1 A 93 93 ALA CB C 93 18.164 18.258 -0.094 1
1 959 . 1 1 1 A 93 93 ALA N N 93 121.045 120.878 0.167 1
1 960 . 1 1 1 A 94 94 ALA H H 94 8.033 7.798 0.235 1
1 961 . 1 1 1 A 94 94 ALA HA H 94 4.545 4.174 0.371 1
1 965 . 1 1 1 A 94 94 ALA C C 94 180.529 179.570 0.959 1
1 966 . 1 1 1 A 94 94 ALA CA C 94 55.518 55.152 0.366 1
1 967 . 1 1 1 A 94 94 ALA CB C 94 19.455 18.718 0.737 1
1 968 . 1 1 1 A 94 94 ALA N N 94 122.191 120.653 1.538 1
1 969 . 1 1 1 A 95 95 VAL H H 95 8.565 8.300 0.265 1
1 970 . 1 1 1 A 95 95 VAL HA H 95 3.741 3.951 -0.210 1
1 978 . 1 1 1 A 95 95 VAL C C 95 178.767 177.934 0.833 1
1 979 . 1 1 1 A 95 95 VAL CA C 95 65.820 64.831 0.989 1
1 980 . 1 1 1 A 95 95 VAL CB C 95 31.501 31.483 0.018 1
1 983 . 1 1 1 A 95 95 VAL N N 95 117.405 116.307 1.098 1
1 984 . 1 1 1 A 96 96 ALA H H 96 7.354 8.128 -0.774 1
1 985 . 1 1 1 A 96 96 ALA HA H 96 4.403 4.220 0.183 1
1 989 . 1 1 1 A 96 96 ALA C C 96 178.242 178.393 -0.151 1
1 990 . 1 1 1 A 96 96 ALA CA C 96 53.916 54.175 -0.259 1
1 991 . 1 1 1 A 96 96 ALA CB C 96 17.841 18.280 -0.439 1
1 992 . 1 1 1 A 96 96 ALA N N 96 122.769 123.810 -1.041 1
1 993 . 1 1 1 A 97 97 MET H H 97 7.980 7.921 0.059 1
1 994 . 1 1 1 A 97 97 MET HA H 97 4.471 4.777 -0.306 1
1 1002 . 1 1 1 A 97 97 MET C C 97 175.959 176.555 -0.596 1
1 1003 . 1 1 1 A 97 97 MET CA C 97 55.150 54.839 0.311 1
1 1004 . 1 1 1 A 97 97 MET CB C 97 31.663 32.660 -0.997 1
1 1007 . 1 1 1 A 97 97 MET N N 97 115.573 116.456 -0.883 1
1 1008 . 1 1 1 A 98 98 ASP H H 98 7.852 8.450 -0.598 1
1 1009 . 1 1 1 A 98 98 ASP HA H 98 4.422 4.442 -0.020 1
1 1012 . 1 1 1 A 98 98 ASP C C 98 175.976 176.910 -0.934 1
1 1013 . 1 1 1 A 98 98 ASP CA C 98 57.476 57.129 0.347 1
1 1014 . 1 1 1 A 98 98 ASP CB C 98 42.008 40.603 1.405 1
1 1015 . 1 1 1 A 98 98 ASP N N 98 121.576 120.927 0.649 1
1 1016 . 1 1 1 A 99 99 GLU H H 99 8.643 7.765 0.878 1
1 1017 . 1 1 1 A 99 99 GLU HA H 99 4.154 4.541 -0.387 1
1 1022 . 1 1 1 A 99 99 GLU C C 99 176.369 175.559 0.810 1
1 1023 . 1 1 1 A 99 99 GLU CA C 99 58.403 55.562 2.841 1
1 1024 . 1 1 1 A 99 99 GLU CB C 99 26.214 30.240 -4.026 1
1 1026 . 1 1 1 A 99 99 GLU N N 99 119.455 118.198 1.257 1
1 1027 . 1 1 1 A 100 100 THR H H 100 7.416 7.744 -0.328 1
1 1028 . 1 1 1 A 100 100 THR HA H 100 4.498 4.308 0.190 1
1 1033 . 1 1 1 A 100 100 THR C C 100 172.876 173.537 -0.661 1
1 1034 . 1 1 1 A 100 100 THR CA C 100 61.065 62.935 -1.870 1
1 1035 . 1 1 1 A 100 100 THR CB C 100 72.140 69.441 2.699 1
1 1037 . 1 1 1 A 100 100 THR N N 100 107.670 116.302 -8.632 1
1 1038 . 1 1 1 A 101 101 VAL H H 101 8.252 8.586 -0.334 1
1 1039 . 1 1 1 A 101 101 VAL HA H 101 4.638 4.941 -0.303 1
1 1047 . 1 1 1 A 101 101 VAL C C 101 176.138 174.210 1.928 1
1 1048 . 1 1 1 A 101 101 VAL CA C 101 62.299 59.627 2.672 1
1 1049 . 1 1 1 A 101 101 VAL CB C 101 32.215 34.412 -2.197 1
1 1052 . 1 1 1 A 101 101 VAL N N 101 118.227 125.125 -6.898 1
1 1053 . 1 1 1 A 102 102 PHE H H 102 9.300 9.704 -0.404 1
1 1054 . 1 1 1 A 102 102 PHE HA H 102 4.671 4.855 -0.184 1
1 1061 . 1 1 1 A 102 102 PHE C C 102 174.216 174.765 -0.549 1
1 1062 . 1 1 1 A 102 102 PHE CA C 102 56.205 57.318 -1.113 1
1 1063 . 1 1 1 A 102 102 PHE CB C 102 41.707 42.340 -0.633 1
1 1064 . 1 1 1 A 102 102 PHE N N 102 128.863 129.605 -0.742 1
1 1065 . 1 1 1 A 103 103 ARG H H 103 9.167 8.842 0.325 1
1 1066 . 1 1 1 A 103 103 ARG HA H 103 3.389 3.736 -0.347 1
1 1075 . 1 1 1 A 103 103 ARG C C 103 176.014 175.178 0.836 1
1 1076 . 1 1 1 A 103 103 ARG CA C 103 57.215 56.821 0.394 1
1 1077 . 1 1 1 A 103 103 ARG CB C 103 27.382 28.818 -1.436 1
1 1080 . 1 1 1 A 103 103 ARG N N 103 128.268 126.699 1.569 1
1 1082 . 1 1 1 A 104 104 GLY H H 104 8.005 8.426 -0.421 1
1 1083 . 1 1 1 A 104 104 GLY HA2 H 104 4.006 3.809 0.197 1
1 1084 . 1 1 1 A 104 104 GLY HA3 H 104 3.455 3.815 -0.360 1
1 1085 . 1 1 1 A 104 104 GLY C C 104 173.766 173.784 -0.018 1
1 1086 . 1 1 1 A 104 104 GLY CA C 104 45.598 45.323 0.275 1
1 1087 . 1 1 1 A 104 104 GLY N N 104 101.324 104.925 -3.601 1
1 1088 . 1 1 1 A 105 105 ARG H H 105 7.681 7.693 -0.012 1
1 1089 . 1 1 1 A 105 105 ARG HA H 105 4.735 4.917 -0.182 1
1 1097 . 1 1 1 A 105 105 ARG C C 105 174.543 174.847 -0.304 1
1 1098 . 1 1 1 A 105 105 ARG CA C 105 54.071 54.445 -0.374 1
1 1099 . 1 1 1 A 105 105 ARG CB C 105 33.159 33.181 -0.022 1
1 1102 . 1 1 1 A 105 105 ARG N N 105 119.837 117.484 2.353 1
1 1104 . 1 1 1 A 106 106 THR H H 106 8.604 8.579 0.025 1
1 1105 . 1 1 1 A 106 106 THR HA H 106 4.593 4.661 -0.068 1
1 1110 . 1 1 1 A 106 106 THR C C 106 175.643 174.541 1.102 1
1 1111 . 1 1 1 A 106 106 THR CA C 106 62.821 63.002 -0.181 1
1 1112 . 1 1 1 A 106 106 THR CB C 106 68.784 69.327 -0.543 1
1 1114 . 1 1 1 A 106 106 THR N N 106 118.251 117.524 0.727 1
1 1115 . 1 1 1 A 107 107 ILE H H 107 8.756 8.747 0.009 1
1 1116 . 1 1 1 A 107 107 ILE HA H 107 4.884 4.984 -0.100 1
1 1126 . 1 1 1 A 107 107 ILE C C 107 174.877 174.224 0.653 1
1 1127 . 1 1 1 A 107 107 ILE CA C 107 60.834 59.101 1.733 1
1 1128 . 1 1 1 A 107 107 ILE CB C 107 40.644 40.361 0.283 1
1 1132 . 1 1 1 A 107 107 ILE N N 107 123.422 123.840 -0.418 1
1 1133 . 1 1 1 A 108 108 LYS H H 108 7.412 8.293 -0.881 1
1 1134 . 1 1 1 A 108 108 LYS HA H 108 5.524 5.910 -0.386 1
1 1141 . 1 1 1 A 108 108 LYS C C 108 175.839 174.800 1.039 1
1 1142 . 1 1 1 A 108 108 LYS CA C 108 52.172 54.759 -2.587 1
1 1143 . 1 1 1 A 108 108 LYS CB C 108 33.947 35.955 -2.008 1
1 1147 . 1 1 1 A 108 108 LYS N N 108 121.402 121.937 -0.535 1
1 1148 . 1 1 1 A 109 109 VAL H H 109 9.467 8.755 0.712 1
1 1149 . 1 1 1 A 109 109 VAL HA H 109 5.410 5.884 -0.474 1
1 1157 . 1 1 1 A 109 109 VAL C C 109 174.514 174.819 -0.305 1
1 1158 . 1 1 1 A 109 109 VAL CA C 109 61.258 60.360 0.898 1
1 1159 . 1 1 1 A 109 109 VAL CB C 109 34.289 34.421 -0.132 1
1 1162 . 1 1 1 A 109 109 VAL N N 109 125.530 120.776 4.754 1
1 1163 . 1 1 1 A 110 110 LEU H H 110 9.081 8.752 0.329 1
1 1164 . 1 1 1 A 110 110 LEU HA H 110 5.109 5.079 0.030 1
1 1173 . 1 1 1 A 110 110 LEU CA C 110 51.660 51.286 0.374 1
1 1174 . 1 1 1 A 110 110 LEU CB C 110 46.037 44.894 1.143 1
1 1178 . 1 1 1 A 110 110 LEU N N 110 125.323 123.289 2.034 1
1 1179 . 1 1 1 A 111 111 PRO HA H 111 4.539 4.875 -0.336 1
1 1186 . 1 1 1 A 111 111 PRO C C 111 176.222 176.386 -0.164 1
1 1187 . 1 1 1 A 111 111 PRO CA C 111 63.390 62.773 0.617 1
1 1188 . 1 1 1 A 111 111 PRO CB C 111 31.697 31.991 -0.294 1
1 1191 . 1 1 1 A 112 112 LYS H H 112 8.121 8.609 -0.488 1
1 1192 . 1 1 1 A 112 112 LYS HA H 112 4.113 4.333 -0.220 1
1 1199 . 1 1 1 A 112 112 LYS C C 112 175.830 176.137 -0.307 1
1 1200 . 1 1 1 A 112 112 LYS CA C 112 58.405 55.556 2.849 1
1 1201 . 1 1 1 A 112 112 LYS CB C 112 33.746 31.609 2.137 1
1 1204 . 1 1 1 A 112 112 LYS N N 112 124.317 122.246 2.071 1
1 1205 . 1 1 1 A 113 113 ARG H H 113 8.228 8.729 -0.501 1
1 1206 . 1 1 1 A 113 113 ARG HA H 113 4.451 3.783 0.668 1
1 1211 . 1 1 1 A 113 113 ARG C C 113 175.758 174.967 0.791 1
1 1212 . 1 1 1 A 113 113 ARG CA C 113 55.468 56.815 -1.347 1
1 1213 . 1 1 1 A 113 113 ARG CB C 113 31.550 28.542 3.008 1
1 1215 . 1 1 1 A 113 113 ARG N N 113 121.228 122.881 -1.653 1
1 1216 . 1 1 1 A 114 114 THR H H 114 8.138 7.904 0.234 1
1 1217 . 1 1 1 A 114 114 THR HA H 114 4.264 4.745 -0.481 1
1 1222 . 1 1 1 A 114 114 THR C C 114 174.043 173.018 1.025 1
1 1223 . 1 1 1 A 114 114 THR CA C 114 62.229 61.761 0.468 1
1 1224 . 1 1 1 A 114 114 THR CB C 114 69.682 69.033 0.649 1
1 1226 . 1 1 1 A 114 114 THR N N 114 116.384 114.282 2.102 1
1 1227 . 1 1 1 A 115 115 ASN H H 115 8.406 8.434 -0.028 1
1 1228 . 1 1 1 A 115 115 ASN HA H 115 4.682 5.346 -0.664 1
1 1233 . 1 1 1 A 115 115 ASN C C 115 174.513 172.926 1.587 1
1 1234 . 1 1 1 A 115 115 ASN CA C 115 53.242 51.855 1.387 1
1 1235 . 1 1 1 A 115 115 ASN CB C 115 38.888 42.645 -3.757 1
1 1236 . 1 1 1 A 115 115 ASN N N 115 120.871 124.802 -3.931 1
1 1238 . 1 1 1 A 116 116 MET H H 116 8.138 8.538 -0.400 1
1 1239 . 1 1 1 A 116 116 MET CA C 116 53.400 52.425 0.975 1
1 1240 . 1 1 1 A 116 116 MET CB C 116 32.829 33.816 -0.987 1
1 1241 . 1 1 1 A 116 116 MET N N 116 121.611 120.541 1.070 1
1 1242 . 1 1 1 A 117 117 PRO HA H 117 4.428 4.540 -0.112 1
1 1245 . 1 1 1 A 117 117 PRO C C 117 175.935 176.145 -0.210 1
1 1246 . 1 1 1 A 117 117 PRO CA C 117 63.489 63.786 -0.297 1
1 1247 . 1 1 1 A 117 117 PRO CB C 117 32.105 32.216 -0.111 1
1 1248 . 1 1 1 A 118 118 GLY H H 118 8.411 7.370 1.041 1
1 1249 . 1 1 1 A 118 118 GLY HA2 H 118 3.927 4.093 -0.166 1
1 1250 . 1 1 1 A 118 118 GLY HA3 H 118 4.389 4.094 0.295 1
1 1251 . 1 1 1 A 118 118 GLY C C 118 174.117 172.586 1.531 1
1 1252 . 1 1 1 A 118 118 GLY CA C 118 45.470 45.223 0.247 1
1 1253 . 1 1 1 A 118 118 GLY N N 118 109.241 107.784 1.457 1
1 1254 . 1 1 1 A 119 119 ILE H H 119 7.825 8.343 -0.518 1
1 1255 . 1 1 1 A 119 119 ILE HA H 119 4.234 4.636 -0.402 1
1 1265 . 1 1 1 A 119 119 ILE C C 119 176.261 175.021 1.240 1
1 1266 . 1 1 1 A 119 119 ILE CA C 119 61.029 60.385 0.644 1
1 1267 . 1 1 1 A 119 119 ILE CB C 119 38.878 39.062 -0.184 1
1 1270 . 1 1 1 A 119 119 ILE N N 119 119.504 120.606 -1.102 1
1 1271 . 1 1 1 A 120 120 SER H H 120 8.397 8.772 -0.375 1
1 1272 . 1 1 1 A 120 120 SER HA H 120 4.534 5.178 -0.644 1
1 1274 . 1 1 1 A 120 120 SER C C 120 174.692 173.158 1.534 1
1 1275 . 1 1 1 A 120 120 SER CA C 120 58.150 57.684 0.466 1
1 1276 . 1 1 1 A 120 120 SER CB C 120 63.997 65.315 -1.318 1
1 1277 . 1 1 1 A 120 120 SER N N 120 119.359 121.043 -1.684 1
1 1278 . 1 1 1 A 121 121 SER H H 121 8.371 8.958 -0.587 1
1 1279 . 1 1 1 A 121 121 SER HA H 121 4.360 4.977 -0.617 1
1 1280 . 1 1 1 A 121 121 SER C C 121 174.809 173.915 0.894 1
1 1281 . 1 1 1 A 121 121 SER CA C 121 58.656 57.675 0.981 1
1 1282 . 1 1 1 A 121 121 SER CB C 121 63.795 66.513 -2.718 1
1 1283 . 1 1 1 A 121 121 SER N N 121 118.036 121.318 -3.282 1
1 1284 . 1 1 1 A 122 122 THR H H 122 8.100 8.630 -0.530 1
1 1285 . 1 1 1 A 122 122 THR C C 122 174.254 174.275 -0.021 1
1 1286 . 1 1 1 A 122 122 THR CA C 122 61.829 64.991 -3.162 1
1 1287 . 1 1 1 A 122 122 THR CB C 122 69.537 68.849 0.688 1
1 1288 . 1 1 1 A 122 122 THR N N 122 114.163 119.010 -4.847 1
1 1289 . 1 1 1 A 123 123 ASP H H 123 8.197 8.273 -0.076 1
1 1290 . 1 1 1 A 123 123 ASP HA H 123 4.641 5.123 -0.482 1
1 1292 . 1 1 1 A 123 123 ASP C C 123 174.975 174.322 0.653 1
1 1293 . 1 1 1 A 123 123 ASP CA C 123 54.542 52.868 1.674 1
1 1294 . 1 1 1 A 123 123 ASP CB C 123 41.144 44.159 -3.015 1
1 1295 . 1 1 1 A 123 123 ASP N N 123 122.772 119.299 3.473 1
1 8 . 2 1 1 A 2 2 ILE H H 2 8.420 8.377 0.043 1
1 9 . 2 1 1 A 2 2 ILE HA H 2 4.219 4.340 -0.121 1
1 11 . 2 1 1 A 2 2 ILE C C 2 175.424 175.638 -0.214 1
1 12 . 2 1 1 A 2 2 ILE CA C 2 61.022 60.392 0.630 1
1 13 . 2 1 1 A 2 2 ILE CB C 2 38.918 38.575 0.343 1
1 14 . 2 1 1 A 2 2 ILE N N 2 120.314 121.301 -0.987 1
1 15 . 2 1 1 A 3 3 ALA H H 3 8.374 8.494 -0.120 1
1 16 . 2 1 1 A 3 3 ALA CA C 3 50.509 50.281 0.228 1
1 17 . 2 1 1 A 3 3 ALA CB C 3 18.608 19.409 -0.801 1
1 18 . 2 1 1 A 3 3 ALA N N 3 129.874 126.904 2.970 1
1 19 . 2 1 1 A 4 4 PRO HA H 4 4.446 4.433 0.013 1
1 22 . 2 1 1 A 4 4 PRO C C 4 176.949 175.438 1.511 1
1 23 . 2 1 1 A 4 4 PRO CA C 4 63.456 63.236 0.220 1
1 24 . 2 1 1 A 4 4 PRO CB C 4 32.203 32.071 0.132 1
1 25 . 2 1 1 A 5 5 CYS H H 5 8.347 8.736 -0.389 1
1 26 . 2 1 1 A 5 5 CYS HA H 5 4.492 4.988 -0.496 1
1 28 . 2 1 1 A 5 5 CYS C C 5 174.805 172.747 2.058 1
1 29 . 2 1 1 A 5 5 CYS CA C 5 58.495 57.824 0.671 1
1 30 . 2 1 1 A 5 5 CYS CB C 5 27.957 32.001 -4.044 1
1 31 . 2 1 1 A 5 5 CYS N N 5 118.477 121.533 -3.056 1
1 32 . 2 1 1 A 6 6 MET H H 6 8.421 8.873 -0.452 1
1 33 . 2 1 1 A 6 6 MET HA H 6 4.534 5.006 -0.472 1
1 35 . 2 1 1 A 6 6 MET C C 6 176.132 174.232 1.900 1
1 36 . 2 1 1 A 6 6 MET CA C 6 55.629 54.679 0.950 1
1 37 . 2 1 1 A 6 6 MET CB C 6 33.048 36.261 -3.213 1
1 38 . 2 1 1 A 6 6 MET N N 6 122.952 123.481 -0.529 1
1 39 . 2 1 1 A 7 7 GLN H H 7 8.313 8.695 -0.382 1
1 40 . 2 1 1 A 7 7 GLN HA H 7 4.435 4.825 -0.390 1
1 42 . 2 1 1 A 7 7 GLN C C 7 176.128 175.464 0.664 1
1 43 . 2 1 1 A 7 7 GLN CA C 7 56.109 54.733 1.376 1
1 44 . 2 1 1 A 7 7 GLN CB C 7 29.591 30.623 -1.032 1
1 45 . 2 1 1 A 7 7 GLN N N 7 121.379 125.224 -3.845 1
1 46 . 2 1 1 A 8 8 THR H H 8 8.195 8.620 -0.425 1
1 47 . 2 1 1 A 8 8 THR HA H 8 4.406 4.850 -0.444 1
1 49 . 2 1 1 A 8 8 THR C C 8 174.739 173.535 1.204 1
1 50 . 2 1 1 A 8 8 THR CA C 8 61.856 61.053 0.803 1
1 51 . 2 1 1 A 8 8 THR CB C 8 69.854 69.148 0.706 1
1 52 . 2 1 1 A 8 8 THR N N 8 115.096 116.077 -0.981 1
1 53 . 2 1 1 A 9 9 THR H H 9 8.081 8.962 -0.881 1
1 54 . 2 1 1 A 9 9 THR HA H 9 4.335 4.762 -0.427 1
1 56 . 2 1 1 A 9 9 THR C C 9 174.407 173.437 0.970 1
1 57 . 2 1 1 A 9 9 THR CA C 9 61.896 61.881 0.015 1
1 58 . 2 1 1 A 9 9 THR CB C 9 69.811 68.610 1.201 1
1 59 . 2 1 1 A 9 9 THR N N 9 115.837 122.177 -6.340 1
1 60 . 2 1 1 A 10 10 HIS H H 10 8.477 8.632 -0.155 1
1 61 . 2 1 1 A 10 10 HIS HA H 10 4.788 5.437 -0.649 1
1 64 . 2 1 1 A 10 10 HIS C C 10 174.571 174.329 0.242 1
1 65 . 2 1 1 A 10 10 HIS CA C 10 55.477 54.146 1.331 1
1 66 . 2 1 1 A 10 10 HIS CB C 10 29.291 30.899 -1.608 1
1 67 . 2 1 1 A 10 10 HIS N N 10 120.606 123.438 -2.832 1
1 68 . 2 1 1 A 11 11 SER H H 11 8.306 8.773 -0.467 1
1 69 . 2 1 1 A 11 11 SER HA H 11 4.448 5.323 -0.875 1
1 71 . 2 1 1 A 11 11 SER C C 11 174.512 173.299 1.213 1
1 72 . 2 1 1 A 11 11 SER CA C 11 58.557 56.273 2.284 1
1 73 . 2 1 1 A 11 11 SER CB C 11 63.943 64.967 -1.024 1
1 74 . 2 1 1 A 11 11 SER N N 11 117.043 118.223 -1.180 1
1 75 . 2 1 1 A 12 12 LYS H H 12 8.402 8.658 -0.256 1
1 76 . 2 1 1 A 12 12 LYS HA H 12 4.359 4.723 -0.364 1
1 79 . 2 1 1 A 12 12 LYS C C 12 176.592 174.912 1.680 1
1 80 . 2 1 1 A 12 12 LYS CA C 12 56.634 55.277 1.357 1
1 81 . 2 1 1 A 12 12 LYS CB C 12 33.127 36.481 -3.354 1
1 82 . 2 1 1 A 12 12 LYS N N 12 123.023 123.173 -0.150 1
1 83 . 2 1 1 A 13 13 MET H H 13 8.343 8.864 -0.521 1
1 84 . 2 1 1 A 13 13 MET HA H 13 4.530 4.513 0.017 1
1 88 . 2 1 1 A 13 13 MET C C 13 176.373 175.792 0.581 1
1 89 . 2 1 1 A 13 13 MET CA C 13 55.680 54.888 0.792 1
1 90 . 2 1 1 A 13 13 MET CB C 13 32.925 31.916 1.009 1
1 91 . 2 1 1 A 13 13 MET N N 13 121.294 126.375 -5.081 1
1 92 . 2 1 1 A 14 14 THR H H 14 8.068 8.339 -0.271 1
1 93 . 2 1 1 A 14 14 THR HA H 14 4.333 3.984 0.349 1
1 97 . 2 1 1 A 14 14 THR C C 14 174.246 174.347 -0.101 1
1 98 . 2 1 1 A 14 14 THR CA C 14 61.770 66.092 -4.322 1
1 99 . 2 1 1 A 14 14 THR CB C 14 69.894 69.036 0.858 1
1 100 . 2 1 1 A 14 14 THR N N 14 115.254 120.283 -5.029 1
1 101 . 2 1 1 A 15 15 ALA H H 15 8.289 7.656 0.633 1
1 102 . 2 1 1 A 15 15 ALA HA H 15 4.344 4.001 0.343 1
1 106 . 2 1 1 A 15 15 ALA C C 15 178.080 176.609 1.471 1
1 107 . 2 1 1 A 15 15 ALA CA C 15 52.779 52.862 -0.083 1
1 108 . 2 1 1 A 15 15 ALA CB C 15 19.286 17.828 1.458 1
1 109 . 2 1 1 A 15 15 ALA N N 15 126.372 122.348 4.024 1
1 110 . 2 1 1 A 16 16 GLY H H 16 8.291 8.190 0.101 1
1 111 . 2 1 1 A 16 16 GLY HA2 H 16 3.913 4.316 -0.403 1
1 112 . 2 1 1 A 16 16 GLY C C 16 173.788 173.179 0.609 1
1 113 . 2 1 1 A 16 16 GLY CA C 16 45.298 45.289 0.009 1
1 114 . 2 1 1 A 16 16 GLY N N 16 108.095 108.887 -0.792 1
1 115 . 2 1 1 A 17 17 ALA H H 17 8.000 8.723 -0.723 1
1 116 . 2 1 1 A 17 17 ALA HA H 17 4.292 3.937 0.355 1
1 120 . 2 1 1 A 17 17 ALA C C 17 177.366 176.632 0.734 1
1 121 . 2 1 1 A 17 17 ALA CA C 17 52.518 52.580 -0.062 1
1 122 . 2 1 1 A 17 17 ALA CB C 17 19.577 17.497 2.080 1
1 123 . 2 1 1 A 17 17 ALA N N 17 123.370 121.649 1.721 1
1 124 . 2 1 1 A 18 18 TYR H H 18 8.135 8.350 -0.215 1
1 125 . 2 1 1 A 18 18 TYR HA H 18 4.640 4.697 -0.057 1
1 129 . 2 1 1 A 18 18 TYR C C 18 176.031 175.606 0.425 1
1 130 . 2 1 1 A 18 18 TYR CA C 18 57.973 59.450 -1.477 1
1 131 . 2 1 1 A 18 18 TYR CB C 18 38.661 40.521 -1.860 1
1 132 . 2 1 1 A 18 18 TYR N N 18 119.212 117.271 1.941 1
1 133 . 2 1 1 A 19 19 THR H H 19 7.912 7.844 0.068 1
1 134 . 2 1 1 A 19 19 THR HA H 19 4.267 4.209 0.058 1
1 139 . 2 1 1 A 19 19 THR C C 19 173.995 174.605 -0.610 1
1 140 . 2 1 1 A 19 19 THR CA C 19 61.848 63.969 -2.121 1
1 141 . 2 1 1 A 19 19 THR CB C 19 69.756 68.817 0.939 1
1 142 . 2 1 1 A 19 19 THR N N 19 115.764 114.374 1.390 1
1 143 . 2 1 1 A 20 20 GLU H H 20 8.077 8.850 -0.773 1
1 144 . 2 1 1 A 20 20 GLU HA H 20 4.301 4.535 -0.234 1
1 148 . 2 1 1 A 20 20 GLU C C 20 176.128 176.675 -0.547 1
1 149 . 2 1 1 A 20 20 GLU CA C 20 56.312 55.525 0.787 1
1 150 . 2 1 1 A 20 20 GLU CB C 20 30.423 30.791 -0.368 1
1 152 . 2 1 1 A 20 20 GLU N N 20 122.553 125.312 -2.759 1
1 153 . 2 1 1 A 21 21 GLY H H 21 7.966 8.238 -0.272 1
1 154 . 2 1 1 A 21 21 GLY HA2 H 21 3.903 3.903 0.000 1
1 155 . 2 1 1 A 21 21 GLY CA C 21 44.257 45.889 -1.632 1
1 156 . 2 1 1 A 21 21 GLY N N 21 109.544 108.341 1.203 1
1 157 . 2 1 1 A 22 22 PRO HA H 22 4.232 4.315 -0.083 1
1 164 . 2 1 1 A 22 22 PRO CA C 22 61.109 65.497 -4.388 1
1 165 . 2 1 1 A 22 22 PRO CB C 22 30.711 31.288 -0.577 1
1 168 . 2 1 1 A 23 23 PRO HA H 23 4.363 4.632 -0.269 1
1 174 . 2 1 1 A 23 23 PRO C C 23 176.567 176.772 -0.205 1
1 175 . 2 1 1 A 23 23 PRO CA C 23 62.733 62.753 -0.020 1
1 176 . 2 1 1 A 23 23 PRO CB C 23 32.048 32.006 0.042 1
1 179 . 2 1 1 A 24 24 GLN H H 24 8.286 8.390 -0.104 1
1 180 . 2 1 1 A 24 24 GLN HA H 24 4.479 4.671 -0.192 1
1 186 . 2 1 1 A 24 24 GLN CA C 24 53.763 54.209 -0.446 1
1 187 . 2 1 1 A 24 24 GLN CB C 24 28.800 29.137 -0.337 1
1 189 . 2 1 1 A 24 24 GLN N N 24 121.215 119.135 2.080 1
1 191 . 2 1 1 A 25 25 PRO HA H 25 4.389 4.875 -0.486 1
1 198 . 2 1 1 A 25 25 PRO C C 25 176.707 176.763 -0.056 1
1 199 . 2 1 1 A 25 25 PRO CA C 25 62.867 63.178 -0.311 1
1 200 . 2 1 1 A 25 25 PRO CB C 25 32.174 31.902 0.272 1
1 203 . 2 1 1 A 26 26 LEU H H 26 8.244 7.802 0.442 1
1 204 . 2 1 1 A 26 26 LEU HA H 26 4.405 4.456 -0.051 1
1 214 . 2 1 1 A 26 26 LEU C C 26 177.517 176.474 1.043 1
1 215 . 2 1 1 A 26 26 LEU CA C 26 54.643 53.591 1.052 1
1 216 . 2 1 1 A 26 26 LEU CB C 26 43.618 43.721 -0.103 1
1 220 . 2 1 1 A 26 26 LEU N N 26 122.745 119.555 3.190 1
1 221 . 2 1 1 A 27 27 SER H H 27 8.758 8.719 0.039 1
1 222 . 2 1 1 A 27 27 SER HA H 27 4.474 4.504 -0.030 1
1 225 . 2 1 1 A 27 27 SER C C 27 174.789 175.487 -0.698 1
1 226 . 2 1 1 A 27 27 SER CA C 27 57.461 59.023 -1.562 1
1 227 . 2 1 1 A 27 27 SER CB C 27 65.280 63.521 1.759 1
1 228 . 2 1 1 A 27 27 SER N N 27 117.967 116.821 1.146 1
1 229 . 2 1 1 A 28 28 ALA H H 28 8.841 9.007 -0.166 1
1 230 . 2 1 1 A 28 28 ALA HA H 28 4.037 3.971 0.066 1
1 234 . 2 1 1 A 28 28 ALA CA C 28 55.346 55.520 -0.174 1
1 235 . 2 1 1 A 28 28 ALA CB C 28 18.347 18.124 0.223 1
1 236 . 2 1 1 A 28 28 ALA N N 28 124.144 126.945 -2.801 1
1 237 . 2 1 1 A 29 29 GLU H H 29 8.565 8.076 0.489 1
1 238 . 2 1 1 A 29 29 GLU HA H 29 4.026 4.014 0.012 1
1 242 . 2 1 1 A 29 29 GLU C C 29 178.877 179.342 -0.465 1
1 243 . 2 1 1 A 29 29 GLU CA C 29 59.430 59.506 -0.076 1
1 244 . 2 1 1 A 29 29 GLU CB C 29 29.244 29.042 0.202 1
1 246 . 2 1 1 A 29 29 GLU N N 29 117.527 117.712 -0.185 1
1 247 . 2 1 1 A 30 30 GLU H H 30 7.823 8.339 -0.516 1
1 248 . 2 1 1 A 30 30 GLU HA H 30 4.054 4.106 -0.052 1
1 253 . 2 1 1 A 30 30 GLU C C 30 179.191 179.380 -0.189 1
1 254 . 2 1 1 A 30 30 GLU CA C 30 59.037 58.915 0.122 1
1 255 . 2 1 1 A 30 30 GLU CB C 30 30.102 29.426 0.676 1
1 257 . 2 1 1 A 30 30 GLU N N 30 120.773 121.514 -0.741 1
1 258 . 2 1 1 A 31 31 LYS H H 31 8.246 7.615 0.631 1
1 259 . 2 1 1 A 31 31 LYS HA H 31 3.844 4.077 -0.233 1
1 266 . 2 1 1 A 31 31 LYS C C 31 177.968 179.284 -1.316 1
1 267 . 2 1 1 A 31 31 LYS CA C 31 59.889 59.439 0.450 1
1 268 . 2 1 1 A 31 31 LYS CB C 31 32.350 32.191 0.159 1
1 272 . 2 1 1 A 31 31 LYS N N 31 119.315 119.693 -0.378 1
1 273 . 2 1 1 A 32 32 LYS H H 32 7.698 7.845 -0.147 1
1 274 . 2 1 1 A 32 32 LYS HA H 32 4.043 4.121 -0.078 1
1 282 . 2 1 1 A 32 32 LYS C C 32 178.848 179.313 -0.465 1
1 283 . 2 1 1 A 32 32 LYS CA C 32 59.479 59.731 -0.252 1
1 284 . 2 1 1 A 32 32 LYS CB C 32 32.459 31.922 0.537 1
1 288 . 2 1 1 A 32 32 LYS N N 32 118.195 119.637 -1.442 1
1 289 . 2 1 1 A 33 33 GLU H H 33 7.512 7.833 -0.321 1
1 290 . 2 1 1 A 33 33 GLU HA H 33 4.031 4.098 -0.067 1
1 295 . 2 1 1 A 33 33 GLU C C 33 178.989 179.533 -0.544 1
1 296 . 2 1 1 A 33 33 GLU CA C 33 59.157 59.082 0.075 1
1 297 . 2 1 1 A 33 33 GLU CB C 33 29.220 29.645 -0.425 1
1 299 . 2 1 1 A 33 33 GLU N N 33 118.459 120.038 -1.579 1
1 300 . 2 1 1 A 34 34 ILE H H 34 7.912 7.495 0.417 1
1 301 . 2 1 1 A 34 34 ILE HA H 34 3.503 3.843 -0.340 1
1 311 . 2 1 1 A 34 34 ILE C C 34 180.639 177.697 2.942 1
1 312 . 2 1 1 A 34 34 ILE CA C 34 65.305 63.969 1.336 1
1 313 . 2 1 1 A 34 34 ILE CB C 34 38.540 37.327 1.213 1
1 317 . 2 1 1 A 34 34 ILE N N 34 120.176 117.763 2.413 1
1 318 . 2 1 1 A 35 35 ASP H H 35 8.457 8.372 0.085 1
1 319 . 2 1 1 A 35 35 ASP HA H 35 4.145 4.250 -0.105 1
1 322 . 2 1 1 A 35 35 ASP C C 35 178.790 177.865 0.925 1
1 323 . 2 1 1 A 35 35 ASP CA C 35 58.322 57.798 0.524 1
1 324 . 2 1 1 A 35 35 ASP CB C 35 39.538 42.393 -2.855 1
1 325 . 2 1 1 A 35 35 ASP N N 35 123.589 121.275 2.314 1
1 326 . 2 1 1 A 36 36 LYS H H 36 7.573 7.560 0.013 1
1 327 . 2 1 1 A 36 36 LYS HA H 36 4.187 4.078 0.109 1
1 334 . 2 1 1 A 36 36 LYS C C 36 176.400 178.146 -1.746 1
1 335 . 2 1 1 A 36 36 LYS CA C 36 58.656 59.213 -0.557 1
1 336 . 2 1 1 A 36 36 LYS CB C 36 32.991 32.350 0.641 1
1 340 . 2 1 1 A 36 36 LYS N N 36 117.506 119.175 -1.669 1
1 341 . 2 1 1 A 37 37 ARG H H 37 7.397 7.798 -0.401 1
1 342 . 2 1 1 A 37 37 ARG HA H 37 4.658 4.641 0.017 1
1 348 . 2 1 1 A 37 37 ARG C C 37 174.361 175.625 -1.264 1
1 349 . 2 1 1 A 37 37 ARG CA C 37 55.793 56.058 -0.265 1
1 350 . 2 1 1 A 37 37 ARG CB C 37 31.260 31.064 0.196 1
1 353 . 2 1 1 A 37 37 ARG N N 37 115.182 114.499 0.683 1
1 354 . 2 1 1 A 38 38 SER H H 38 7.416 7.598 -0.182 1
1 355 . 2 1 1 A 38 38 SER HA H 38 6.346 4.868 1.478 1
1 358 . 2 1 1 A 38 38 SER C C 38 173.807 173.038 0.769 1
1 359 . 2 1 1 A 38 38 SER CA C 38 57.574 55.796 1.778 1
1 360 . 2 1 1 A 38 38 SER CB C 38 67.003 65.989 1.014 1
1 361 . 2 1 1 A 38 38 SER N N 38 112.872 115.992 -3.120 1
1 362 . 2 1 1 A 39 39 VAL H H 39 8.812 8.979 -0.167 1
1 363 . 2 1 1 A 39 39 VAL HA H 39 5.117 5.114 0.003 1
1 371 . 2 1 1 A 39 39 VAL C C 39 174.519 173.101 1.418 1
1 372 . 2 1 1 A 39 39 VAL CA C 39 59.085 59.063 0.022 1
1 373 . 2 1 1 A 39 39 VAL CB C 39 34.476 35.952 -1.476 1
1 376 . 2 1 1 A 39 39 VAL N N 39 111.961 117.824 -5.863 1
1 377 . 2 1 1 A 40 40 TYR H H 40 9.366 9.441 -0.075 1
1 378 . 2 1 1 A 40 40 TYR HA H 40 5.108 5.014 0.094 1
1 385 . 2 1 1 A 40 40 TYR C C 40 172.976 173.636 -0.660 1
1 386 . 2 1 1 A 40 40 TYR CA C 40 56.633 55.645 0.988 1
1 387 . 2 1 1 A 40 40 TYR CB C 40 41.058 41.371 -0.313 1
1 390 . 2 1 1 A 40 40 TYR N N 40 123.743 124.398 -0.655 1
1 391 . 2 1 1 A 41 41 VAL H H 41 8.734 9.064 -0.330 1
1 392 . 2 1 1 A 41 41 VAL HA H 41 4.876 4.650 0.226 1
1 400 . 2 1 1 A 41 41 VAL C C 41 174.651 174.803 -0.152 1
1 401 . 2 1 1 A 41 41 VAL CA C 41 59.798 60.758 -0.960 1
1 402 . 2 1 1 A 41 41 VAL CB C 41 33.329 32.770 0.559 1
1 405 . 2 1 1 A 41 41 VAL N N 41 127.436 127.042 0.394 1
1 406 . 2 1 1 A 42 42 GLY H H 42 9.669 8.860 0.809 1
1 407 . 2 1 1 A 42 42 GLY HA2 H 42 3.612 3.938 -0.326 1
1 408 . 2 1 1 A 42 42 GLY HA3 H 42 4.392 4.042 0.350 1
1 409 . 2 1 1 A 42 42 GLY C C 42 173.639 174.239 -0.600 1
1 410 . 2 1 1 A 42 42 GLY CA C 42 44.169 43.368 0.801 1
1 411 . 2 1 1 A 42 42 GLY N N 42 113.263 114.831 -1.568 1
1 412 . 2 1 1 A 43 43 ASN H H 43 8.412 9.059 -0.647 1
1 413 . 2 1 1 A 43 43 ASN HA H 43 4.510 4.415 0.095 1
1 418 . 2 1 1 A 43 43 ASN C C 43 174.364 175.067 -0.703 1
1 419 . 2 1 1 A 43 43 ASN CA C 43 53.557 54.357 -0.800 1
1 420 . 2 1 1 A 43 43 ASN CB C 43 37.283 38.185 -0.902 1
1 421 . 2 1 1 A 43 43 ASN N N 43 115.451 119.323 -3.872 1
1 423 . 2 1 1 A 44 44 VAL H H 44 7.083 7.812 -0.729 1
1 424 . 2 1 1 A 44 44 VAL HA H 44 3.975 4.054 -0.079 1
1 432 . 2 1 1 A 44 44 VAL C C 44 175.885 174.527 1.358 1
1 433 . 2 1 1 A 44 44 VAL CA C 44 61.614 62.439 -0.825 1
1 434 . 2 1 1 A 44 44 VAL CB C 44 32.914 32.991 -0.077 1
1 437 . 2 1 1 A 44 44 VAL N N 44 115.399 119.904 -4.505 1
1 438 . 2 1 1 A 45 45 ASP H H 45 8.305 8.551 -0.246 1
1 439 . 2 1 1 A 45 45 ASP HA H 45 4.467 4.986 -0.519 1
1 442 . 2 1 1 A 45 45 ASP C C 45 177.205 176.623 0.582 1
1 443 . 2 1 1 A 45 45 ASP CA C 45 54.613 53.699 0.914 1
1 444 . 2 1 1 A 45 45 ASP CB C 45 43.657 42.581 1.076 1
1 445 . 2 1 1 A 45 45 ASP N N 45 124.440 127.339 -2.899 1
1 446 . 2 1 1 A 46 46 TYR H H 46 8.715 8.970 -0.255 1
1 447 . 2 1 1 A 46 46 TYR HA H 46 4.483 4.278 0.205 1
1 454 . 2 1 1 A 46 46 TYR C C 46 175.453 178.576 -3.123 1
1 455 . 2 1 1 A 46 46 TYR CA C 46 59.464 60.023 -0.559 1
1 456 . 2 1 1 A 46 46 TYR CB C 46 38.753 37.437 1.316 1
1 458 . 2 1 1 A 46 46 TYR N N 46 125.588 125.921 -0.333 1
1 459 . 2 1 1 A 47 47 GLY H H 47 8.387 8.818 -0.431 1
1 460 . 2 1 1 A 47 47 GLY HA2 H 47 3.561 4.026 -0.465 1
1 461 . 2 1 1 A 47 47 GLY HA3 H 47 4.348 4.046 0.302 1
1 462 . 2 1 1 A 47 47 GLY C C 47 173.578 174.445 -0.867 1
1 463 . 2 1 1 A 47 47 GLY CA C 47 44.965 46.291 -1.326 1
1 464 . 2 1 1 A 47 47 GLY N N 47 106.974 108.227 -1.253 1
1 465 . 2 1 1 A 48 48 SER H H 48 7.417 7.976 -0.559 1
1 466 . 2 1 1 A 48 48 SER HA H 48 4.428 4.771 -0.343 1
1 468 . 2 1 1 A 48 48 SER C C 48 173.220 174.051 -0.831 1
1 469 . 2 1 1 A 48 48 SER CA C 48 59.892 59.048 0.844 1
1 470 . 2 1 1 A 48 48 SER CB C 48 64.519 64.334 0.185 1
1 471 . 2 1 1 A 48 48 SER N N 48 115.423 116.743 -1.320 1
1 472 . 2 1 1 A 49 49 THR H H 49 8.474 8.619 -0.145 1
1 473 . 2 1 1 A 49 49 THR HA H 49 4.660 4.880 -0.220 1
1 478 . 2 1 1 A 49 49 THR C C 49 175.940 176.027 -0.087 1
1 479 . 2 1 1 A 49 49 THR CA C 49 58.831 59.711 -0.880 1
1 480 . 2 1 1 A 49 49 THR CB C 49 72.585 72.587 -0.002 1
1 482 . 2 1 1 A 49 49 THR N N 49 112.103 115.320 -3.217 1
1 483 . 2 1 1 A 50 50 ALA H H 50 9.723 9.025 0.698 1
1 484 . 2 1 1 A 50 50 ALA HA H 50 3.923 3.998 -0.075 1
1 488 . 2 1 1 A 50 50 ALA C C 50 179.045 179.579 -0.534 1
1 489 . 2 1 1 A 50 50 ALA CA C 50 55.643 55.422 0.221 1
1 490 . 2 1 1 A 50 50 ALA CB C 50 18.259 18.026 0.233 1
1 491 . 2 1 1 A 50 50 ALA N N 50 123.988 124.175 -0.187 1
1 492 . 2 1 1 A 51 51 GLN H H 51 7.730 8.131 -0.401 1
1 493 . 2 1 1 A 51 51 GLN HA H 51 3.940 3.990 -0.050 1
1 500 . 2 1 1 A 51 51 GLN C C 51 178.215 177.915 0.300 1
1 501 . 2 1 1 A 51 51 GLN CA C 51 59.096 58.849 0.247 1
1 502 . 2 1 1 A 51 51 GLN CB C 51 28.508 28.331 0.177 1
1 504 . 2 1 1 A 51 51 GLN N N 51 116.375 118.100 -1.725 1
1 505 . 2 1 1 A 52 52 ASP H H 52 8.273 8.035 0.238 1
1 506 . 2 1 1 A 52 52 ASP HA H 52 4.587 4.469 0.118 1
1 507 . 2 1 1 A 52 52 ASP C C 52 179.837 178.972 0.865 1
1 508 . 2 1 1 A 52 52 ASP CA C 52 57.556 57.738 -0.182 1
1 509 . 2 1 1 A 52 52 ASP CB C 52 41.057 41.713 -0.656 1
1 510 . 2 1 1 A 52 52 ASP N N 52 120.755 120.249 0.506 1
1 511 . 2 1 1 A 53 53 LEU H H 53 7.855 8.364 -0.509 1
1 512 . 2 1 1 A 53 53 LEU HA H 53 3.933 4.023 -0.090 1
1 522 . 2 1 1 A 53 53 LEU C C 53 178.463 179.119 -0.656 1
1 523 . 2 1 1 A 53 53 LEU CA C 53 58.367 58.161 0.206 1
1 524 . 2 1 1 A 53 53 LEU CB C 53 42.646 40.914 1.732 1
1 528 . 2 1 1 A 53 53 LEU N N 53 122.035 119.562 2.473 1
1 529 . 2 1 1 A 54 54 GLU H H 54 8.804 9.029 -0.225 1
1 530 . 2 1 1 A 54 54 GLU HA H 54 3.745 4.042 -0.297 1
1 534 . 2 1 1 A 54 54 GLU C C 54 178.467 178.502 -0.035 1
1 535 . 2 1 1 A 54 54 GLU CA C 54 59.833 59.751 0.082 1
1 536 . 2 1 1 A 54 54 GLU CB C 54 29.238 29.404 -0.166 1
1 538 . 2 1 1 A 54 54 GLU N N 54 120.472 119.794 0.678 1
1 539 . 2 1 1 A 55 55 ALA H H 55 8.098 8.299 -0.201 1
1 540 . 2 1 1 A 55 55 ALA HA H 55 4.249 4.200 0.049 1
1 544 . 2 1 1 A 55 55 ALA C C 55 180.711 179.963 0.748 1
1 545 . 2 1 1 A 55 55 ALA CA C 55 55.077 54.948 0.129 1
1 546 . 2 1 1 A 55 55 ALA CB C 55 18.164 18.018 0.146 1
1 547 . 2 1 1 A 55 55 ALA N N 55 119.302 122.278 -2.976 1
1 548 . 2 1 1 A 56 56 HIS H H 56 7.927 7.606 0.321 1
1 549 . 2 1 1 A 56 56 HIS HA H 56 4.281 4.272 0.009 1
1 553 . 2 1 1 A 56 56 HIS C C 56 176.342 177.045 -0.703 1
1 554 . 2 1 1 A 56 56 HIS CA C 56 59.362 59.375 -0.013 1
1 555 . 2 1 1 A 56 56 HIS CB C 56 31.200 29.713 1.487 1
1 556 . 2 1 1 A 56 56 HIS N N 56 117.016 118.068 -1.052 1
1 557 . 2 1 1 A 57 57 PHE H H 57 7.811 8.149 -0.338 1
1 558 . 2 1 1 A 57 57 PHE HA H 57 4.554 4.385 0.169 1
1 565 . 2 1 1 A 57 57 PHE C C 57 177.301 178.016 -0.715 1
1 566 . 2 1 1 A 57 57 PHE CA C 57 59.480 61.646 -2.166 1
1 567 . 2 1 1 A 57 57 PHE CB C 57 40.432 39.030 1.402 1
1 571 . 2 1 1 A 57 57 PHE N N 57 111.423 115.827 -4.404 1
1 572 . 2 1 1 A 58 58 SER H H 58 8.126 8.409 -0.283 1
1 573 . 2 1 1 A 58 58 SER HA H 58 4.468 4.481 -0.013 1
1 575 . 2 1 1 A 58 58 SER C C 58 176.676 176.676 0.000 1
1 576 . 2 1 1 A 58 58 SER CA C 58 62.159 61.794 0.365 1
1 577 . 2 1 1 A 58 58 SER N N 58 118.439 116.765 1.674 1
1 578 . 2 1 1 A 59 59 SER H H 59 8.422 7.617 0.805 1
1 579 . 2 1 1 A 59 59 SER HA H 59 4.291 4.267 0.024 1
1 581 . 2 1 1 A 59 59 SER C C 59 175.955 176.081 -0.126 1
1 582 . 2 1 1 A 59 59 SER CA C 59 60.277 61.245 -0.968 1
1 583 . 2 1 1 A 59 59 SER CB C 59 62.444 62.959 -0.515 1
1 584 . 2 1 1 A 59 59 SER N N 59 116.618 118.699 -2.081 1
1 585 . 2 1 1 A 60 60 CYS H H 60 8.226 7.466 0.760 1
1 586 . 2 1 1 A 60 60 CYS HA H 60 4.067 4.453 -0.386 1
1 589 . 2 1 1 A 60 60 CYS C C 60 174.682 174.492 0.190 1
1 590 . 2 1 1 A 60 60 CYS CA C 60 60.683 61.117 -0.434 1
1 591 . 2 1 1 A 60 60 CYS CB C 60 28.894 28.371 0.523 1
1 592 . 2 1 1 A 60 60 CYS N N 60 118.900 119.421 -0.521 1
1 593 . 2 1 1 A 61 61 GLY H H 61 7.414 7.684 -0.270 1
1 594 . 2 1 1 A 61 61 GLY HA2 H 61 3.887 4.040 -0.153 1
1 595 . 2 1 1 A 61 61 GLY HA3 H 61 4.489 4.095 0.394 1
1 596 . 2 1 1 A 61 61 GLY C C 61 171.619 173.066 -1.447 1
1 597 . 2 1 1 A 61 61 GLY CA C 61 44.000 44.688 -0.688 1
1 598 . 2 1 1 A 61 61 GLY N N 61 106.320 107.870 -1.550 1
1 599 . 2 1 1 A 62 62 SER H H 62 8.182 8.671 -0.489 1
1 600 . 2 1 1 A 62 62 SER HA H 62 4.420 5.258 -0.838 1
1 603 . 2 1 1 A 62 62 SER C C 62 175.295 174.214 1.081 1
1 604 . 2 1 1 A 62 62 SER CA C 62 59.839 57.869 1.970 1
1 605 . 2 1 1 A 62 62 SER CB C 62 63.617 64.176 -0.559 1
1 606 . 2 1 1 A 62 62 SER N N 62 112.485 117.314 -4.829 1
1 607 . 2 1 1 A 63 63 ILE H H 63 8.857 9.092 -0.235 1
1 608 . 2 1 1 A 63 63 ILE HA H 63 4.007 4.165 -0.158 1
1 618 . 2 1 1 A 63 63 ILE C C 63 175.045 175.772 -0.727 1
1 619 . 2 1 1 A 63 63 ILE CA C 63 61.979 61.901 0.078 1
1 620 . 2 1 1 A 63 63 ILE CB C 63 41.048 37.892 3.156 1
1 624 . 2 1 1 A 63 63 ILE N N 63 127.966 127.077 0.889 1
1 625 . 2 1 1 A 64 64 ASN H H 64 8.897 9.280 -0.383 1
1 626 . 2 1 1 A 64 64 ASN HA H 64 4.667 4.904 -0.237 1
1 631 . 2 1 1 A 64 64 ASN C C 64 174.686 175.522 -0.836 1
1 632 . 2 1 1 A 64 64 ASN CA C 64 53.627 55.117 -1.490 1
1 633 . 2 1 1 A 64 64 ASN CB C 64 40.062 40.419 -0.357 1
1 634 . 2 1 1 A 64 64 ASN N N 64 124.997 126.203 -1.206 1
1 636 . 2 1 1 A 65 65 ARG H H 65 7.419 7.422 -0.003 1
1 637 . 2 1 1 A 65 65 ARG HA H 65 5.155 4.870 0.285 1
1 645 . 2 1 1 A 65 65 ARG C C 65 173.788 174.341 -0.553 1
1 646 . 2 1 1 A 65 65 ARG CA C 65 55.703 54.755 0.948 1
1 647 . 2 1 1 A 65 65 ARG CB C 65 35.408 35.166 0.242 1
1 650 . 2 1 1 A 65 65 ARG N N 65 116.737 116.581 0.156 1
1 652 . 2 1 1 A 66 66 ILE H H 66 8.681 8.658 0.023 1
1 653 . 2 1 1 A 66 66 ILE HA H 66 4.574 5.325 -0.751 1
1 663 . 2 1 1 A 66 66 ILE C C 66 173.717 174.423 -0.706 1
1 664 . 2 1 1 A 66 66 ILE CA C 66 61.049 59.037 2.012 1
1 665 . 2 1 1 A 66 66 ILE CB C 66 42.988 41.858 1.130 1
1 669 . 2 1 1 A 66 66 ILE N N 66 123.359 117.698 5.661 1
1 670 . 2 1 1 A 67 67 THR H H 67 8.861 8.683 0.178 1
1 671 . 2 1 1 A 67 67 THR HA H 67 5.378 5.052 0.326 1
1 676 . 2 1 1 A 67 67 THR C C 67 173.526 173.515 0.011 1
1 677 . 2 1 1 A 67 67 THR CA C 67 61.112 61.926 -0.814 1
1 678 . 2 1 1 A 67 67 THR CB C 67 70.857 70.493 0.364 1
1 680 . 2 1 1 A 67 67 THR N N 67 124.375 119.807 4.568 1
1 681 . 2 1 1 A 68 68 ILE H H 68 9.768 9.150 0.618 1
1 682 . 2 1 1 A 68 68 ILE HA H 68 4.333 4.749 -0.416 1
1 692 . 2 1 1 A 68 68 ILE C C 68 173.743 174.860 -1.117 1
1 693 . 2 1 1 A 68 68 ILE CA C 68 61.237 59.959 1.278 1
1 694 . 2 1 1 A 68 68 ILE CB C 68 40.908 40.249 0.659 1
1 698 . 2 1 1 A 68 68 ILE N N 68 127.340 128.687 -1.347 1
1 699 . 2 1 1 A 69 69 LEU H H 69 9.045 9.279 -0.234 1
1 700 . 2 1 1 A 69 69 LEU HA H 69 5.074 5.002 0.072 1
1 710 . 2 1 1 A 69 69 LEU C C 69 175.502 175.020 0.482 1
1 711 . 2 1 1 A 69 69 LEU CA C 69 55.186 52.875 2.311 1
1 712 . 2 1 1 A 69 69 LEU CB C 69 42.702 44.505 -1.803 1
1 716 . 2 1 1 A 69 69 LEU N N 69 128.686 125.171 3.515 1
1 717 . 2 1 1 A 70 70 CYS H H 70 8.767 8.740 0.027 1
1 718 . 2 1 1 A 70 70 CYS HA H 70 5.237 5.571 -0.334 1
1 720 . 2 1 1 A 70 70 CYS C C 70 173.558 172.389 1.169 1
1 721 . 2 1 1 A 70 70 CYS CA C 70 57.609 56.694 0.915 1
1 722 . 2 1 1 A 70 70 CYS CB C 70 29.830 28.480 1.350 1
1 723 . 2 1 1 A 70 70 CYS N N 70 120.856 121.474 -0.618 1
1 724 . 2 1 1 A 71 71 ASP H H 71 9.109 9.155 -0.046 1
1 725 . 2 1 1 A 71 71 ASP HA H 71 5.193 5.227 -0.034 1
1 728 . 2 1 1 A 71 71 ASP C C 71 175.440 175.734 -0.294 1
1 729 . 2 1 1 A 71 71 ASP CA C 71 53.705 52.608 1.097 1
1 730 . 2 1 1 A 71 71 ASP CB C 71 44.774 43.980 0.794 1
1 731 . 2 1 1 A 71 71 ASP N N 71 124.936 125.652 -0.716 1
1 732 . 2 1 1 A 72 72 LYS H H 72 8.262 8.729 -0.467 1
1 733 . 2 1 1 A 72 72 LYS HA H 72 4.553 4.915 -0.362 1
1 740 . 2 1 1 A 72 72 LYS C C 72 177.732 177.351 0.381 1
1 741 . 2 1 1 A 72 72 LYS CA C 72 55.608 55.765 -0.157 1
1 742 . 2 1 1 A 72 72 LYS CB C 72 32.469 33.017 -0.548 1
1 745 . 2 1 1 A 72 72 LYS N N 72 120.339 127.830 -7.491 1
1 746 . 2 1 1 A 73 73 PHE H H 73 8.663 8.014 0.649 1
1 747 . 2 1 1 A 73 73 PHE HA H 73 4.357 4.390 -0.033 1
1 752 . 2 1 1 A 73 73 PHE C C 73 177.148 176.694 0.454 1
1 753 . 2 1 1 A 73 73 PHE CA C 73 60.214 59.995 0.219 1
1 754 . 2 1 1 A 73 73 PHE CB C 73 39.157 37.700 1.457 1
1 756 . 2 1 1 A 73 73 PHE N N 73 121.961 119.290 2.671 1
1 757 . 2 1 1 A 74 74 SER H H 74 8.780 7.992 0.788 1
1 758 . 2 1 1 A 74 74 SER HA H 74 4.353 4.724 -0.371 1
1 760 . 2 1 1 A 74 74 SER C C 74 174.810 174.648 0.162 1
1 761 . 2 1 1 A 74 74 SER CA C 74 58.965 58.866 0.099 1
1 762 . 2 1 1 A 74 74 SER CB C 74 63.650 63.874 -0.224 1
1 763 . 2 1 1 A 74 74 SER N N 74 114.021 115.965 -1.944 1
1 764 . 2 1 1 A 75 75 GLY H H 75 8.004 8.497 -0.493 1
1 765 . 2 1 1 A 75 75 GLY HA2 H 75 3.635 3.985 -0.350 1
1 766 . 2 1 1 A 75 75 GLY HA3 H 75 4.221 3.988 0.233 1
1 767 . 2 1 1 A 75 75 GLY C C 75 173.254 174.113 -0.859 1
1 768 . 2 1 1 A 75 75 GLY CA C 75 45.162 45.248 -0.086 1
1 769 . 2 1 1 A 75 75 GLY N N 75 108.714 109.136 -0.422 1
1 770 . 2 1 1 A 76 76 HIS H H 76 7.670 8.115 -0.445 1
1 771 . 2 1 1 A 76 76 HIS HA H 76 5.020 4.774 0.246 1
1 775 . 2 1 1 A 76 76 HIS CA C 76 52.522 54.096 -1.574 1
1 776 . 2 1 1 A 76 76 HIS CB C 76 29.410 30.703 -1.293 1
1 777 . 2 1 1 A 76 76 HIS N N 76 118.164 119.590 -1.426 1
1 778 . 2 1 1 A 77 77 PRO HA H 77 4.551 4.731 -0.180 1
1 784 . 2 1 1 A 77 77 PRO C C 77 176.458 176.306 0.152 1
1 785 . 2 1 1 A 77 77 PRO CA C 77 63.263 63.020 0.243 1
1 786 . 2 1 1 A 77 77 PRO CB C 77 32.077 31.954 0.123 1
1 789 . 2 1 1 A 78 78 LYS H H 78 8.846 9.535 -0.689 1
1 790 . 2 1 1 A 78 78 LYS HA H 78 4.772 5.104 -0.332 1
1 796 . 2 1 1 A 78 78 LYS CA C 78 55.964 54.754 1.210 1
1 797 . 2 1 1 A 78 78 LYS CB C 78 35.816 35.526 0.290 1
1 799 . 2 1 1 A 78 78 LYS N N 78 124.197 123.402 0.795 1
1 800 . 2 1 1 A 79 79 GLY H H 79 8.352 8.679 -0.327 1
1 801 . 2 1 1 A 79 79 GLY HA2 H 79 3.871 4.095 -0.224 1
1 802 . 2 1 1 A 79 79 GLY HA3 H 79 5.451 4.113 1.338 1
1 803 . 2 1 1 A 79 79 GLY C C 79 173.400 172.269 1.131 1
1 804 . 2 1 1 A 79 79 GLY CA C 79 45.189 43.965 1.224 1
1 805 . 2 1 1 A 79 79 GLY N N 79 109.568 108.862 0.706 1
1 806 . 2 1 1 A 80 80 TYR H H 80 8.856 8.747 0.109 1
1 807 . 2 1 1 A 80 80 TYR HA H 80 4.940 5.317 -0.377 1
1 814 . 2 1 1 A 80 80 TYR C C 80 171.720 172.888 -1.168 1
1 815 . 2 1 1 A 80 80 TYR CA C 80 56.267 56.404 -0.137 1
1 816 . 2 1 1 A 80 80 TYR CB C 80 40.003 41.780 -1.777 1
1 818 . 2 1 1 A 80 80 TYR N N 80 120.052 117.659 2.393 1
1 819 . 2 1 1 A 81 81 ALA H H 81 9.215 8.764 0.451 1
1 820 . 2 1 1 A 81 81 ALA HA H 81 5.386 5.555 -0.169 1
1 824 . 2 1 1 A 81 81 ALA C C 81 175.357 175.281 0.076 1
1 825 . 2 1 1 A 81 81 ALA CA C 81 50.089 50.457 -0.368 1
1 826 . 2 1 1 A 81 81 ALA CB C 81 24.030 23.617 0.413 1
1 827 . 2 1 1 A 81 81 ALA N N 81 120.138 122.226 -2.088 1
1 828 . 2 1 1 A 82 82 TYR H H 82 8.974 9.399 -0.425 1
1 829 . 2 1 1 A 82 82 TYR HA H 82 5.885 5.316 0.569 1
1 836 . 2 1 1 A 82 82 TYR C C 82 176.232 174.345 1.887 1
1 837 . 2 1 1 A 82 82 TYR CA C 82 55.626 56.870 -1.244 1
1 838 . 2 1 1 A 82 82 TYR CB C 82 41.536 40.818 0.718 1
1 839 . 2 1 1 A 82 82 TYR N N 82 114.621 118.145 -3.524 1
1 840 . 2 1 1 A 83 83 ILE H H 83 8.644 8.834 -0.190 1
1 841 . 2 1 1 A 83 83 ILE HA H 83 4.275 4.360 -0.085 1
1 851 . 2 1 1 A 83 83 ILE C C 83 173.516 174.493 -0.977 1
1 852 . 2 1 1 A 83 83 ILE CA C 83 60.345 59.803 0.542 1
1 853 . 2 1 1 A 83 83 ILE CB C 83 39.535 38.222 1.313 1
1 857 . 2 1 1 A 83 83 ILE N N 83 122.447 124.313 -1.866 1
1 858 . 2 1 1 A 84 84 GLU H H 84 8.612 9.233 -0.621 1
1 859 . 2 1 1 A 84 84 GLU HA H 84 4.801 4.828 -0.027 1
1 862 . 2 1 1 A 84 84 GLU C C 84 176.111 175.468 0.643 1
1 863 . 2 1 1 A 84 84 GLU CA C 84 54.496 54.919 -0.423 1
1 864 . 2 1 1 A 84 84 GLU CB C 84 31.499 31.368 0.131 1
1 865 . 2 1 1 A 84 84 GLU N N 84 127.346 126.991 0.355 1
1 866 . 2 1 1 A 85 85 PHE H H 85 9.087 8.590 0.497 1
1 867 . 2 1 1 A 85 85 PHE HA H 85 4.817 4.996 -0.179 1
1 875 . 2 1 1 A 85 85 PHE C C 85 174.422 176.487 -2.065 1
1 876 . 2 1 1 A 85 85 PHE CA C 85 59.072 57.571 1.501 1
1 877 . 2 1 1 A 85 85 PHE CB C 85 40.765 41.516 -0.751 1
1 878 . 2 1 1 A 85 85 PHE N N 85 128.049 123.429 4.620 1
1 879 . 2 1 1 A 86 86 ALA H H 86 8.192 9.092 -0.900 1
1 880 . 2 1 1 A 86 86 ALA HA H 86 4.239 4.293 -0.054 1
1 884 . 2 1 1 A 86 86 ALA C C 86 178.143 177.528 0.615 1
1 885 . 2 1 1 A 86 86 ALA CA C 86 54.524 54.047 0.477 1
1 886 . 2 1 1 A 86 86 ALA CB C 86 19.510 19.911 -0.401 1
1 887 . 2 1 1 A 86 86 ALA N N 86 120.669 122.783 -2.114 1
1 888 . 2 1 1 A 87 87 GLU H H 87 8.455 7.943 0.512 1
1 889 . 2 1 1 A 87 87 GLU HA H 87 4.765 4.755 0.010 1
1 893 . 2 1 1 A 87 87 GLU C C 87 176.472 176.683 -0.211 1
1 894 . 2 1 1 A 87 87 GLU CA C 87 54.353 55.119 -0.766 1
1 895 . 2 1 1 A 87 87 GLU CB C 87 32.624 32.980 -0.356 1
1 897 . 2 1 1 A 87 87 GLU N N 87 114.204 116.707 -2.503 1
1 898 . 2 1 1 A 88 88 ARG H H 88 8.917 8.967 -0.050 1
1 899 . 2 1 1 A 88 88 ARG HA H 88 3.961 3.962 -0.001 1
1 905 . 2 1 1 A 88 88 ARG C C 88 178.900 178.391 0.509 1
1 906 . 2 1 1 A 88 88 ARG CA C 88 59.548 59.785 -0.237 1
1 907 . 2 1 1 A 88 88 ARG CB C 88 30.073 29.838 0.235 1
1 910 . 2 1 1 A 88 88 ARG N N 88 121.592 123.536 -1.944 1
1 911 . 2 1 1 A 89 89 ASN H H 89 8.845 8.060 0.785 1
1 912 . 2 1 1 A 89 89 ASN HA H 89 4.497 4.401 0.096 1
1 916 . 2 1 1 A 89 89 ASN C C 89 177.179 177.867 -0.688 1
1 917 . 2 1 1 A 89 89 ASN CA C 89 55.861 56.019 -0.158 1
1 918 . 2 1 1 A 89 89 ASN CB C 89 37.330 37.829 -0.499 1
1 919 . 2 1 1 A 89 89 ASN N N 89 116.555 118.524 -1.969 1
1 921 . 2 1 1 A 90 90 SER H H 90 7.513 7.962 -0.449 1
1 922 . 2 1 1 A 90 90 SER HA H 90 4.006 4.331 -0.325 1
1 925 . 2 1 1 A 90 90 SER C C 90 174.511 175.770 -1.259 1
1 926 . 2 1 1 A 90 90 SER CA C 90 61.395 62.172 -0.777 1
1 927 . 2 1 1 A 90 90 SER CB C 90 63.424 62.448 0.976 1
1 928 . 2 1 1 A 90 90 SER N N 90 116.007 117.105 -1.098 1
1 929 . 2 1 1 A 91 91 VAL H H 91 7.653 8.110 -0.457 1
1 930 . 2 1 1 A 91 91 VAL HA H 91 3.201 3.771 -0.570 1
1 938 . 2 1 1 A 91 91 VAL C C 91 176.991 177.737 -0.746 1
1 939 . 2 1 1 A 91 91 VAL CA C 91 66.851 65.121 1.730 1
1 940 . 2 1 1 A 91 91 VAL CB C 91 31.599 31.437 0.162 1
1 943 . 2 1 1 A 91 91 VAL N N 91 119.934 119.451 0.483 1
1 944 . 2 1 1 A 92 92 ASP H H 92 7.192 8.333 -1.141 1
1 945 . 2 1 1 A 92 92 ASP HA H 92 4.321 4.334 -0.013 1
1 947 . 2 1 1 A 92 92 ASP C C 92 178.585 178.618 -0.033 1
1 948 . 2 1 1 A 92 92 ASP CA C 92 57.401 57.330 0.071 1
1 949 . 2 1 1 A 92 92 ASP CB C 92 40.078 39.997 0.081 1
1 950 . 2 1 1 A 92 92 ASP N N 92 117.084 122.167 -5.083 1
1 951 . 2 1 1 A 93 93 ALA H H 93 6.946 7.941 -0.995 1
1 952 . 2 1 1 A 93 93 ALA HA H 93 4.186 4.187 -0.001 1
1 956 . 2 1 1 A 93 93 ALA C C 93 179.272 179.717 -0.445 1
1 957 . 2 1 1 A 93 93 ALA CA C 93 54.445 54.764 -0.319 1
1 958 . 2 1 1 A 93 93 ALA CB C 93 18.164 18.275 -0.111 1
1 959 . 2 1 1 A 93 93 ALA N N 93 121.045 122.399 -1.354 1
1 960 . 2 1 1 A 94 94 ALA H H 94 8.033 7.953 0.080 1
1 961 . 2 1 1 A 94 94 ALA HA H 94 4.545 4.143 0.402 1
1 965 . 2 1 1 A 94 94 ALA C C 94 180.529 179.799 0.730 1
1 966 . 2 1 1 A 94 94 ALA CA C 94 55.518 55.278 0.240 1
1 967 . 2 1 1 A 94 94 ALA CB C 94 19.455 18.818 0.637 1
1 968 . 2 1 1 A 94 94 ALA N N 94 122.191 121.037 1.154 1
1 969 . 2 1 1 A 95 95 VAL H H 95 8.565 8.383 0.182 1
1 970 . 2 1 1 A 95 95 VAL HA H 95 3.741 3.923 -0.182 1
1 978 . 2 1 1 A 95 95 VAL C C 95 178.767 177.964 0.803 1
1 979 . 2 1 1 A 95 95 VAL CA C 95 65.820 64.841 0.979 1
1 980 . 2 1 1 A 95 95 VAL CB C 95 31.501 31.453 0.048 1
1 983 . 2 1 1 A 95 95 VAL N N 95 117.405 116.677 0.728 1
1 984 . 2 1 1 A 96 96 ALA H H 96 7.354 8.097 -0.743 1
1 985 . 2 1 1 A 96 96 ALA HA H 96 4.403 4.194 0.209 1
1 989 . 2 1 1 A 96 96 ALA C C 96 178.242 178.451 -0.209 1
1 990 . 2 1 1 A 96 96 ALA CA C 96 53.916 54.299 -0.383 1
1 991 . 2 1 1 A 96 96 ALA CB C 96 17.841 18.255 -0.414 1
1 992 . 2 1 1 A 96 96 ALA N N 96 122.769 123.790 -1.021 1
1 993 . 2 1 1 A 97 97 MET H H 97 7.980 8.166 -0.186 1
1 994 . 2 1 1 A 97 97 MET HA H 97 4.471 5.010 -0.539 1
1 1002 . 2 1 1 A 97 97 MET C C 97 175.959 176.308 -0.349 1
1 1003 . 2 1 1 A 97 97 MET CA C 97 55.150 54.716 0.434 1
1 1004 . 2 1 1 A 97 97 MET CB C 97 31.663 32.019 -0.356 1
1 1007 . 2 1 1 A 97 97 MET N N 97 115.573 116.513 -0.940 1
1 1008 . 2 1 1 A 98 98 ASP H H 98 7.852 7.950 -0.098 1
1 1009 . 2 1 1 A 98 98 ASP HA H 98 4.422 4.308 0.114 1
1 1012 . 2 1 1 A 98 98 ASP C C 98 175.976 177.176 -1.200 1
1 1013 . 2 1 1 A 98 98 ASP CA C 98 57.476 57.467 0.009 1
1 1014 . 2 1 1 A 98 98 ASP CB C 98 42.008 41.242 0.766 1
1 1015 . 2 1 1 A 98 98 ASP N N 98 121.576 121.343 0.233 1
1 1016 . 2 1 1 A 99 99 GLU H H 99 8.643 7.857 0.786 1
1 1017 . 2 1 1 A 99 99 GLU HA H 99 4.154 4.786 -0.632 1
1 1022 . 2 1 1 A 99 99 GLU C C 99 176.369 175.361 1.008 1
1 1023 . 2 1 1 A 99 99 GLU CA C 99 58.403 55.177 3.226 1
1 1024 . 2 1 1 A 99 99 GLU CB C 99 26.214 30.485 -4.271 1
1 1026 . 2 1 1 A 99 99 GLU N N 99 119.455 118.088 1.367 1
1 1027 . 2 1 1 A 100 100 THR H H 100 7.416 7.441 -0.025 1
1 1028 . 2 1 1 A 100 100 THR HA H 100 4.498 4.479 0.019 1
1 1033 . 2 1 1 A 100 100 THR C C 100 172.876 174.086 -1.210 1
1 1034 . 2 1 1 A 100 100 THR CA C 100 61.065 61.780 -0.715 1
1 1035 . 2 1 1 A 100 100 THR CB C 100 72.140 70.032 2.108 1
1 1037 . 2 1 1 A 100 100 THR N N 100 107.670 116.633 -8.963 1
1 1038 . 2 1 1 A 101 101 VAL H H 101 8.252 8.524 -0.272 1
1 1039 . 2 1 1 A 101 101 VAL HA H 101 4.638 4.776 -0.138 1
1 1047 . 2 1 1 A 101 101 VAL C C 101 176.138 174.714 1.424 1
1 1048 . 2 1 1 A 101 101 VAL CA C 101 62.299 60.093 2.206 1
1 1049 . 2 1 1 A 101 101 VAL CB C 101 32.215 33.862 -1.647 1
1 1052 . 2 1 1 A 101 101 VAL N N 101 118.227 123.425 -5.198 1
1 1053 . 2 1 1 A 102 102 PHE H H 102 9.300 9.464 -0.164 1
1 1054 . 2 1 1 A 102 102 PHE HA H 102 4.671 4.785 -0.114 1
1 1061 . 2 1 1 A 102 102 PHE C C 102 174.216 174.713 -0.497 1
1 1062 . 2 1 1 A 102 102 PHE CA C 102 56.205 57.654 -1.449 1
1 1063 . 2 1 1 A 102 102 PHE CB C 102 41.707 42.113 -0.406 1
1 1064 . 2 1 1 A 102 102 PHE N N 102 128.863 128.860 0.003 1
1 1065 . 2 1 1 A 103 103 ARG H H 103 9.167 9.268 -0.101 1
1 1066 . 2 1 1 A 103 103 ARG HA H 103 3.389 3.829 -0.440 1
1 1075 . 2 1 1 A 103 103 ARG C C 103 176.014 176.399 -0.385 1
1 1076 . 2 1 1 A 103 103 ARG CA C 103 57.215 56.944 0.271 1
1 1077 . 2 1 1 A 103 103 ARG CB C 103 27.382 28.490 -1.108 1
1 1080 . 2 1 1 A 103 103 ARG N N 103 128.268 127.965 0.303 1
1 1082 . 2 1 1 A 104 104 GLY H H 104 8.005 8.565 -0.560 1
1 1083 . 2 1 1 A 104 104 GLY HA2 H 104 4.006 3.810 0.196 1
1 1084 . 2 1 1 A 104 104 GLY HA3 H 104 3.455 3.811 -0.356 1
1 1085 . 2 1 1 A 104 104 GLY C C 104 173.766 173.499 0.267 1
1 1086 . 2 1 1 A 104 104 GLY CA C 104 45.598 45.486 0.112 1
1 1087 . 2 1 1 A 104 104 GLY N N 104 101.324 103.861 -2.537 1
1 1088 . 2 1 1 A 105 105 ARG H H 105 7.681 7.669 0.012 1
1 1089 . 2 1 1 A 105 105 ARG HA H 105 4.735 4.953 -0.218 1
1 1097 . 2 1 1 A 105 105 ARG C C 105 174.543 174.851 -0.308 1
1 1098 . 2 1 1 A 105 105 ARG CA C 105 54.071 54.132 -0.061 1
1 1099 . 2 1 1 A 105 105 ARG CB C 105 33.159 33.550 -0.391 1
1 1102 . 2 1 1 A 105 105 ARG N N 105 119.837 116.382 3.455 1
1 1104 . 2 1 1 A 106 106 THR H H 106 8.604 8.626 -0.022 1
1 1105 . 2 1 1 A 106 106 THR HA H 106 4.593 4.809 -0.216 1
1 1110 . 2 1 1 A 106 106 THR C C 106 175.643 174.787 0.856 1
1 1111 . 2 1 1 A 106 106 THR CA C 106 62.821 62.541 0.280 1
1 1112 . 2 1 1 A 106 106 THR CB C 106 68.784 69.731 -0.947 1
1 1114 . 2 1 1 A 106 106 THR N N 106 118.251 117.149 1.102 1
1 1115 . 2 1 1 A 107 107 ILE H H 107 8.756 8.989 -0.233 1
1 1116 . 2 1 1 A 107 107 ILE HA H 107 4.884 4.998 -0.114 1
1 1126 . 2 1 1 A 107 107 ILE C C 107 174.877 174.067 0.810 1
1 1127 . 2 1 1 A 107 107 ILE CA C 107 60.834 59.070 1.764 1
1 1128 . 2 1 1 A 107 107 ILE CB C 107 40.644 40.335 0.309 1
1 1132 . 2 1 1 A 107 107 ILE N N 107 123.422 124.016 -0.594 1
1 1133 . 2 1 1 A 108 108 LYS H H 108 7.412 8.481 -1.069 1
1 1134 . 2 1 1 A 108 108 LYS HA H 108 5.524 5.733 -0.209 1
1 1141 . 2 1 1 A 108 108 LYS C C 108 175.839 174.669 1.170 1
1 1142 . 2 1 1 A 108 108 LYS CA C 108 52.172 54.695 -2.523 1
1 1143 . 2 1 1 A 108 108 LYS CB C 108 33.947 36.010 -2.063 1
1 1147 . 2 1 1 A 108 108 LYS N N 108 121.402 122.369 -0.967 1
1 1148 . 2 1 1 A 109 109 VAL H H 109 9.467 9.099 0.368 1
1 1149 . 2 1 1 A 109 109 VAL HA H 109 5.410 5.078 0.332 1
1 1157 . 2 1 1 A 109 109 VAL C C 109 174.514 174.916 -0.402 1
1 1158 . 2 1 1 A 109 109 VAL CA C 109 61.258 61.309 -0.051 1
1 1159 . 2 1 1 A 109 109 VAL CB C 109 34.289 33.534 0.755 1
1 1162 . 2 1 1 A 109 109 VAL N N 109 125.530 126.073 -0.543 1
1 1163 . 2 1 1 A 110 110 LEU H H 110 9.081 9.436 -0.355 1
1 1164 . 2 1 1 A 110 110 LEU HA H 110 5.109 4.859 0.250 1
1 1173 . 2 1 1 A 110 110 LEU CA C 110 51.660 51.822 -0.162 1
1 1174 . 2 1 1 A 110 110 LEU CB C 110 46.037 44.109 1.928 1
1 1178 . 2 1 1 A 110 110 LEU N N 110 125.323 127.740 -2.417 1
1 1179 . 2 1 1 A 111 111 PRO HA H 111 4.539 4.805 -0.266 1
1 1186 . 2 1 1 A 111 111 PRO C C 111 176.222 176.469 -0.247 1
1 1187 . 2 1 1 A 111 111 PRO CA C 111 63.390 62.806 0.584 1
1 1188 . 2 1 1 A 111 111 PRO CB C 111 31.697 32.278 -0.581 1
1 1191 . 2 1 1 A 112 112 LYS H H 112 8.121 8.672 -0.551 1
1 1192 . 2 1 1 A 112 112 LYS HA H 112 4.113 4.637 -0.524 1
1 1199 . 2 1 1 A 112 112 LYS C C 112 175.830 176.217 -0.387 1
1 1200 . 2 1 1 A 112 112 LYS CA C 112 58.405 56.255 2.150 1
1 1201 . 2 1 1 A 112 112 LYS CB C 112 33.746 32.999 0.747 1
1 1204 . 2 1 1 A 112 112 LYS N N 112 124.317 122.262 2.055 1
1 1205 . 2 1 1 A 113 113 ARG H H 113 8.228 8.483 -0.255 1
1 1206 . 2 1 1 A 113 113 ARG HA H 113 4.451 4.923 -0.472 1
1 1211 . 2 1 1 A 113 113 ARG C C 113 175.758 174.830 0.928 1
1 1212 . 2 1 1 A 113 113 ARG CA C 113 55.468 54.621 0.847 1
1 1213 . 2 1 1 A 113 113 ARG CB C 113 31.550 33.655 -2.105 1
1 1215 . 2 1 1 A 113 113 ARG N N 113 121.228 124.602 -3.374 1
1 1216 . 2 1 1 A 114 114 THR H H 114 8.138 8.576 -0.438 1
1 1217 . 2 1 1 A 114 114 THR HA H 114 4.264 3.992 0.272 1
1 1222 . 2 1 1 A 114 114 THR C C 114 174.043 174.458 -0.415 1
1 1223 . 2 1 1 A 114 114 THR CA C 114 62.229 63.372 -1.143 1
1 1224 . 2 1 1 A 114 114 THR CB C 114 69.682 66.277 3.405 1
1 1226 . 2 1 1 A 114 114 THR N N 114 116.384 111.069 5.315 1
1 1227 . 2 1 1 A 115 115 ASN H H 115 8.406 7.897 0.509 1
1 1228 . 2 1 1 A 115 115 ASN HA H 115 4.682 4.843 -0.161 1
1 1233 . 2 1 1 A 115 115 ASN C C 115 174.513 175.697 -1.184 1
1 1234 . 2 1 1 A 115 115 ASN CA C 115 53.242 53.110 0.132 1
1 1235 . 2 1 1 A 115 115 ASN CB C 115 38.888 38.934 -0.046 1
1 1236 . 2 1 1 A 115 115 ASN N N 115 120.871 118.004 2.867 1
1 1238 . 2 1 1 A 116 116 MET H H 116 8.138 7.616 0.522 1
1 1239 . 2 1 1 A 116 116 MET CA C 116 53.400 54.703 -1.303 1
1 1240 . 2 1 1 A 116 116 MET CB C 116 32.829 33.044 -0.215 1
1 1241 . 2 1 1 A 116 116 MET N N 116 121.611 120.970 0.641 1
1 1242 . 2 1 1 A 117 117 PRO HA H 117 4.428 4.841 -0.413 1
1 1245 . 2 1 1 A 117 117 PRO C C 117 175.935 177.488 -1.553 1
1 1246 . 2 1 1 A 117 117 PRO CA C 117 63.489 63.250 0.239 1
1 1247 . 2 1 1 A 117 117 PRO CB C 117 32.105 32.049 0.056 1
1 1248 . 2 1 1 A 118 118 GLY H H 118 8.411 9.229 -0.818 1
1 1249 . 2 1 1 A 118 118 GLY HA2 H 118 3.927 4.113 -0.186 1
1 1250 . 2 1 1 A 118 118 GLY HA3 H 118 4.389 4.121 0.268 1
1 1251 . 2 1 1 A 118 118 GLY C C 118 174.117 173.291 0.826 1
1 1252 . 2 1 1 A 118 118 GLY CA C 118 45.470 44.177 1.293 1
1 1253 . 2 1 1 A 118 118 GLY N N 118 109.241 107.683 1.558 1
1 1254 . 2 1 1 A 119 119 ILE H H 119 7.825 8.393 -0.568 1
1 1255 . 2 1 1 A 119 119 ILE HA H 119 4.234 4.309 -0.075 1
1 1265 . 2 1 1 A 119 119 ILE C C 119 176.261 175.079 1.182 1
1 1266 . 2 1 1 A 119 119 ILE CA C 119 61.029 60.582 0.447 1
1 1267 . 2 1 1 A 119 119 ILE CB C 119 38.878 37.617 1.261 1
1 1270 . 2 1 1 A 119 119 ILE N N 119 119.504 118.033 1.471 1
1 1271 . 2 1 1 A 120 120 SER H H 120 8.397 8.233 0.164 1
1 1272 . 2 1 1 A 120 120 SER HA H 120 4.534 4.908 -0.374 1
1 1274 . 2 1 1 A 120 120 SER C C 120 174.692 172.514 2.178 1
1 1275 . 2 1 1 A 120 120 SER CA C 120 58.150 57.599 0.551 1
1 1276 . 2 1 1 A 120 120 SER CB C 120 63.997 64.424 -0.427 1
1 1277 . 2 1 1 A 120 120 SER N N 120 119.359 123.613 -4.254 1
1 1278 . 2 1 1 A 121 121 SER H H 121 8.371 8.622 -0.251 1
1 1279 . 2 1 1 A 121 121 SER HA H 121 4.360 4.862 -0.502 1
1 1280 . 2 1 1 A 121 121 SER C C 121 174.809 173.326 1.483 1
1 1281 . 2 1 1 A 121 121 SER CA C 121 58.656 57.623 1.033 1
1 1282 . 2 1 1 A 121 121 SER CB C 121 63.795 64.388 -0.593 1
1 1283 . 2 1 1 A 121 121 SER N N 121 118.036 122.096 -4.060 1
1 1284 . 2 1 1 A 122 122 THR H H 122 8.100 9.000 -0.900 1
1 1285 . 2 1 1 A 122 122 THR C C 122 174.254 173.346 0.908 1
1 1286 . 2 1 1 A 122 122 THR CA C 122 61.829 61.281 0.548 1
1 1287 . 2 1 1 A 122 122 THR CB C 122 69.537 70.058 -0.521 1
1 1288 . 2 1 1 A 122 122 THR N N 122 114.163 123.390 -9.227 1
1 1289 . 2 1 1 A 123 123 ASP H H 123 8.197 7.626 0.571 1
1 1290 . 2 1 1 A 123 123 ASP HA H 123 4.641 5.063 -0.422 1
1 1292 . 2 1 1 A 123 123 ASP C C 123 174.975 173.779 1.196 1
1 1293 . 2 1 1 A 123 123 ASP CA C 123 54.542 53.603 0.939 1
1 1294 . 2 1 1 A 123 123 ASP CB C 123 41.144 44.081 -2.937 1
1 1295 . 2 1 1 A 123 123 ASP N N 123 122.772 121.387 1.385 1
1 8 . 3 1 1 A 2 2 ILE H H 2 8.420 8.836 -0.416 1
1 9 . 3 1 1 A 2 2 ILE HA H 2 4.219 4.616 -0.397 1
1 11 . 3 1 1 A 2 2 ILE C C 2 175.424 174.137 1.287 1
1 12 . 3 1 1 A 2 2 ILE CA C 2 61.022 60.528 0.494 1
1 13 . 3 1 1 A 2 2 ILE CB C 2 38.918 39.046 -0.128 1
1 14 . 3 1 1 A 2 2 ILE N N 2 120.314 125.772 -5.458 1
1 15 . 3 1 1 A 3 3 ALA H H 3 8.374 8.767 -0.393 1
1 16 . 3 1 1 A 3 3 ALA CA C 3 50.509 49.174 1.335 1
1 17 . 3 1 1 A 3 3 ALA CB C 3 18.608 20.164 -1.556 1
1 18 . 3 1 1 A 3 3 ALA N N 3 129.874 132.709 -2.835 1
1 19 . 3 1 1 A 4 4 PRO HA H 4 4.446 4.554 -0.108 1
1 22 . 3 1 1 A 4 4 PRO C C 4 176.949 176.156 0.793 1
1 23 . 3 1 1 A 4 4 PRO CA C 4 63.456 62.534 0.922 1
1 24 . 3 1 1 A 4 4 PRO CB C 4 32.203 32.660 -0.457 1
1 25 . 3 1 1 A 5 5 CYS H H 5 8.347 8.290 0.057 1
1 26 . 3 1 1 A 5 5 CYS HA H 5 4.492 4.984 -0.492 1
1 28 . 3 1 1 A 5 5 CYS C C 5 174.805 173.969 0.836 1
1 29 . 3 1 1 A 5 5 CYS CA C 5 58.495 57.782 0.713 1
1 30 . 3 1 1 A 5 5 CYS CB C 5 27.957 27.781 0.176 1
1 31 . 3 1 1 A 5 5 CYS N N 5 118.477 118.868 -0.391 1
1 32 . 3 1 1 A 6 6 MET H H 6 8.421 8.608 -0.187 1
1 33 . 3 1 1 A 6 6 MET HA H 6 4.534 4.664 -0.130 1
1 35 . 3 1 1 A 6 6 MET C C 6 176.132 175.684 0.448 1
1 36 . 3 1 1 A 6 6 MET CA C 6 55.629 55.055 0.574 1
1 37 . 3 1 1 A 6 6 MET CB C 6 33.048 33.698 -0.650 1
1 38 . 3 1 1 A 6 6 MET N N 6 122.952 122.580 0.372 1
1 39 . 3 1 1 A 7 7 GLN H H 7 8.313 8.920 -0.607 1
1 40 . 3 1 1 A 7 7 GLN HA H 7 4.435 4.979 -0.544 1
1 42 . 3 1 1 A 7 7 GLN C C 7 176.128 173.757 2.371 1
1 43 . 3 1 1 A 7 7 GLN CA C 7 56.109 54.670 1.439 1
1 44 . 3 1 1 A 7 7 GLN CB C 7 29.591 31.548 -1.957 1
1 45 . 3 1 1 A 7 7 GLN N N 7 121.379 117.799 3.580 1
1 46 . 3 1 1 A 8 8 THR H H 8 8.195 9.016 -0.821 1
1 47 . 3 1 1 A 8 8 THR HA H 8 4.406 4.649 -0.243 1
1 49 . 3 1 1 A 8 8 THR C C 8 174.739 173.314 1.425 1
1 50 . 3 1 1 A 8 8 THR CA C 8 61.856 60.337 1.519 1
1 51 . 3 1 1 A 8 8 THR CB C 8 69.854 68.455 1.399 1
1 52 . 3 1 1 A 8 8 THR N N 8 115.096 120.929 -5.833 1
1 53 . 3 1 1 A 9 9 THR H H 9 8.081 8.190 -0.109 1
1 54 . 3 1 1 A 9 9 THR HA H 9 4.335 5.130 -0.795 1
1 56 . 3 1 1 A 9 9 THR C C 9 174.407 173.554 0.853 1
1 57 . 3 1 1 A 9 9 THR CA C 9 61.896 60.594 1.302 1
1 58 . 3 1 1 A 9 9 THR CB C 9 69.811 70.206 -0.395 1
1 59 . 3 1 1 A 9 9 THR N N 9 115.837 118.876 -3.039 1
1 60 . 3 1 1 A 10 10 HIS H H 10 8.477 8.992 -0.515 1
1 61 . 3 1 1 A 10 10 HIS HA H 10 4.788 4.865 -0.077 1
1 64 . 3 1 1 A 10 10 HIS C C 10 174.571 174.527 0.044 1
1 65 . 3 1 1 A 10 10 HIS CA C 10 55.477 54.847 0.630 1
1 66 . 3 1 1 A 10 10 HIS CB C 10 29.291 33.514 -4.223 1
1 67 . 3 1 1 A 10 10 HIS N N 10 120.606 123.755 -3.149 1
1 68 . 3 1 1 A 11 11 SER H H 11 8.306 8.920 -0.614 1
1 69 . 3 1 1 A 11 11 SER HA H 11 4.448 4.570 -0.122 1
1 71 . 3 1 1 A 11 11 SER C C 11 174.512 173.768 0.744 1
1 72 . 3 1 1 A 11 11 SER CA C 11 58.557 58.841 -0.284 1
1 73 . 3 1 1 A 11 11 SER CB C 11 63.943 63.066 0.877 1
1 74 . 3 1 1 A 11 11 SER N N 11 117.043 120.139 -3.096 1
1 75 . 3 1 1 A 12 12 LYS H H 12 8.402 8.644 -0.242 1
1 76 . 3 1 1 A 12 12 LYS HA H 12 4.359 4.390 -0.031 1
1 79 . 3 1 1 A 12 12 LYS C C 12 176.592 176.705 -0.113 1
1 80 . 3 1 1 A 12 12 LYS CA C 12 56.634 56.128 0.506 1
1 81 . 3 1 1 A 12 12 LYS CB C 12 33.127 32.620 0.507 1
1 82 . 3 1 1 A 12 12 LYS N N 12 123.023 125.854 -2.831 1
1 83 . 3 1 1 A 13 13 MET H H 13 8.343 8.836 -0.493 1
1 84 . 3 1 1 A 13 13 MET HA H 13 4.530 4.052 0.478 1
1 88 . 3 1 1 A 13 13 MET C C 13 176.373 174.974 1.399 1
1 89 . 3 1 1 A 13 13 MET CA C 13 55.680 56.214 -0.534 1
1 90 . 3 1 1 A 13 13 MET CB C 13 32.925 31.283 1.642 1
1 91 . 3 1 1 A 13 13 MET N N 13 121.294 121.546 -0.252 1
1 92 . 3 1 1 A 14 14 THR H H 14 8.068 8.076 -0.008 1
1 93 . 3 1 1 A 14 14 THR HA H 14 4.333 5.076 -0.743 1
1 97 . 3 1 1 A 14 14 THR C C 14 174.246 171.964 2.282 1
1 98 . 3 1 1 A 14 14 THR CA C 14 61.770 61.002 0.768 1
1 99 . 3 1 1 A 14 14 THR CB C 14 69.894 71.480 -1.586 1
1 100 . 3 1 1 A 14 14 THR N N 14 115.254 116.789 -1.535 1
1 101 . 3 1 1 A 15 15 ALA H H 15 8.289 9.077 -0.788 1
1 102 . 3 1 1 A 15 15 ALA HA H 15 4.344 4.944 -0.600 1
1 106 . 3 1 1 A 15 15 ALA C C 15 178.080 176.260 1.820 1
1 107 . 3 1 1 A 15 15 ALA CA C 15 52.779 51.815 0.964 1
1 108 . 3 1 1 A 15 15 ALA CB C 15 19.286 23.106 -3.820 1
1 109 . 3 1 1 A 15 15 ALA N N 15 126.372 128.570 -2.198 1
1 110 . 3 1 1 A 16 16 GLY H H 16 8.291 8.508 -0.217 1
1 111 . 3 1 1 A 16 16 GLY HA2 H 16 3.913 4.424 -0.511 1
1 112 . 3 1 1 A 16 16 GLY C C 16 173.788 171.915 1.873 1
1 113 . 3 1 1 A 16 16 GLY CA C 16 45.298 46.334 -1.036 1
1 114 . 3 1 1 A 16 16 GLY N N 16 108.095 105.959 2.136 1
1 115 . 3 1 1 A 17 17 ALA H H 17 8.000 8.434 -0.434 1
1 116 . 3 1 1 A 17 17 ALA HA H 17 4.292 4.943 -0.651 1
1 120 . 3 1 1 A 17 17 ALA C C 17 177.366 175.195 2.171 1
1 121 . 3 1 1 A 17 17 ALA CA C 17 52.518 51.562 0.956 1
1 122 . 3 1 1 A 17 17 ALA CB C 17 19.577 22.532 -2.955 1
1 123 . 3 1 1 A 17 17 ALA N N 17 123.370 122.679 0.691 1
1 124 . 3 1 1 A 18 18 TYR H H 18 8.135 8.484 -0.349 1
1 125 . 3 1 1 A 18 18 TYR HA H 18 4.640 5.851 -1.211 1
1 129 . 3 1 1 A 18 18 TYR C C 18 176.031 174.200 1.831 1
1 130 . 3 1 1 A 18 18 TYR CA C 18 57.973 55.201 2.772 1
1 131 . 3 1 1 A 18 18 TYR CB C 18 38.661 42.137 -3.476 1
1 132 . 3 1 1 A 18 18 TYR N N 18 119.212 116.586 2.626 1
1 133 . 3 1 1 A 19 19 THR H H 19 7.912 8.607 -0.695 1
1 134 . 3 1 1 A 19 19 THR HA H 19 4.267 4.759 -0.492 1
1 139 . 3 1 1 A 19 19 THR C C 19 173.995 174.676 -0.681 1
1 140 . 3 1 1 A 19 19 THR CA C 19 61.848 60.986 0.862 1
1 141 . 3 1 1 A 19 19 THR CB C 19 69.756 72.147 -2.391 1
1 142 . 3 1 1 A 19 19 THR N N 19 115.764 114.507 1.257 1
1 143 . 3 1 1 A 20 20 GLU H H 20 8.077 8.994 -0.917 1
1 144 . 3 1 1 A 20 20 GLU HA H 20 4.301 4.100 0.201 1
1 148 . 3 1 1 A 20 20 GLU C C 20 176.128 177.304 -1.176 1
1 149 . 3 1 1 A 20 20 GLU CA C 20 56.312 57.336 -1.024 1
1 150 . 3 1 1 A 20 20 GLU CB C 20 30.423 29.977 0.446 1
1 152 . 3 1 1 A 20 20 GLU N N 20 122.553 125.450 -2.897 1
1 153 . 3 1 1 A 21 21 GLY H H 21 7.966 8.108 -0.142 1
1 154 . 3 1 1 A 21 21 GLY HA2 H 21 3.903 3.972 -0.069 1
1 155 . 3 1 1 A 21 21 GLY CA C 21 44.257 46.438 -2.181 1
1 156 . 3 1 1 A 21 21 GLY N N 21 109.544 108.572 0.972 1
1 157 . 3 1 1 A 22 22 PRO HA H 22 4.232 4.315 -0.083 1
1 164 . 3 1 1 A 22 22 PRO CA C 22 61.109 65.302 -4.193 1
1 165 . 3 1 1 A 22 22 PRO CB C 22 30.711 31.340 -0.629 1
1 168 . 3 1 1 A 23 23 PRO HA H 23 4.363 4.436 -0.073 1
1 174 . 3 1 1 A 23 23 PRO C C 23 176.567 177.345 -0.778 1
1 175 . 3 1 1 A 23 23 PRO CA C 23 62.733 63.128 -0.395 1
1 176 . 3 1 1 A 23 23 PRO CB C 23 32.048 31.946 0.102 1
1 179 . 3 1 1 A 24 24 GLN H H 24 8.286 8.464 -0.178 1
1 180 . 3 1 1 A 24 24 GLN HA H 24 4.479 4.582 -0.103 1
1 186 . 3 1 1 A 24 24 GLN CA C 24 53.763 54.161 -0.398 1
1 187 . 3 1 1 A 24 24 GLN CB C 24 28.800 28.264 0.536 1
1 189 . 3 1 1 A 24 24 GLN N N 24 121.215 121.857 -0.642 1
1 191 . 3 1 1 A 25 25 PRO HA H 25 4.389 4.612 -0.223 1
1 198 . 3 1 1 A 25 25 PRO C C 25 176.707 176.944 -0.237 1
1 199 . 3 1 1 A 25 25 PRO CA C 25 62.867 62.745 0.122 1
1 200 . 3 1 1 A 25 25 PRO CB C 25 32.174 31.901 0.273 1
1 203 . 3 1 1 A 26 26 LEU H H 26 8.244 8.298 -0.054 1
1 204 . 3 1 1 A 26 26 LEU HA H 26 4.405 4.493 -0.088 1
1 214 . 3 1 1 A 26 26 LEU C C 26 177.517 176.703 0.814 1
1 215 . 3 1 1 A 26 26 LEU CA C 26 54.643 53.539 1.104 1
1 216 . 3 1 1 A 26 26 LEU CB C 26 43.618 43.804 -0.186 1
1 220 . 3 1 1 A 26 26 LEU N N 26 122.745 119.469 3.276 1
1 221 . 3 1 1 A 27 27 SER H H 27 8.758 8.319 0.439 1
1 222 . 3 1 1 A 27 27 SER HA H 27 4.474 4.474 0.000 1
1 225 . 3 1 1 A 27 27 SER C C 27 174.789 175.829 -1.040 1
1 226 . 3 1 1 A 27 27 SER CA C 27 57.461 58.605 -1.144 1
1 227 . 3 1 1 A 27 27 SER CB C 27 65.280 63.752 1.528 1
1 228 . 3 1 1 A 27 27 SER N N 27 117.967 116.208 1.759 1
1 229 . 3 1 1 A 28 28 ALA H H 28 8.841 9.004 -0.163 1
1 230 . 3 1 1 A 28 28 ALA HA H 28 4.037 3.921 0.116 1
1 234 . 3 1 1 A 28 28 ALA CA C 28 55.346 55.349 -0.003 1
1 235 . 3 1 1 A 28 28 ALA CB C 28 18.347 18.348 -0.001 1
1 236 . 3 1 1 A 28 28 ALA N N 28 124.144 130.103 -5.959 1
1 237 . 3 1 1 A 29 29 GLU H H 29 8.565 7.491 1.074 1
1 238 . 3 1 1 A 29 29 GLU HA H 29 4.026 4.146 -0.120 1
1 242 . 3 1 1 A 29 29 GLU C C 29 178.877 179.240 -0.363 1
1 243 . 3 1 1 A 29 29 GLU CA C 29 59.430 58.805 0.625 1
1 244 . 3 1 1 A 29 29 GLU CB C 29 29.244 29.433 -0.189 1
1 246 . 3 1 1 A 29 29 GLU N N 29 117.527 118.731 -1.204 1
1 247 . 3 1 1 A 30 30 GLU H H 30 7.823 8.332 -0.509 1
1 248 . 3 1 1 A 30 30 GLU HA H 30 4.054 4.097 -0.043 1
1 253 . 3 1 1 A 30 30 GLU C C 30 179.191 179.058 0.133 1
1 254 . 3 1 1 A 30 30 GLU CA C 30 59.037 58.989 0.048 1
1 255 . 3 1 1 A 30 30 GLU CB C 30 30.102 29.334 0.768 1
1 257 . 3 1 1 A 30 30 GLU N N 30 120.773 119.374 1.399 1
1 258 . 3 1 1 A 31 31 LYS H H 31 8.246 7.720 0.526 1
1 259 . 3 1 1 A 31 31 LYS HA H 31 3.844 4.124 -0.280 1
1 266 . 3 1 1 A 31 31 LYS C C 31 177.968 179.678 -1.710 1
1 267 . 3 1 1 A 31 31 LYS CA C 31 59.889 59.640 0.249 1
1 268 . 3 1 1 A 31 31 LYS CB C 31 32.350 32.298 0.052 1
1 272 . 3 1 1 A 31 31 LYS N N 31 119.315 120.137 -0.822 1
1 273 . 3 1 1 A 32 32 LYS H H 32 7.698 7.759 -0.061 1
1 274 . 3 1 1 A 32 32 LYS HA H 32 4.043 3.988 0.055 1
1 282 . 3 1 1 A 32 32 LYS C C 32 178.848 179.683 -0.835 1
1 283 . 3 1 1 A 32 32 LYS CA C 32 59.479 60.018 -0.539 1
1 284 . 3 1 1 A 32 32 LYS CB C 32 32.459 32.137 0.322 1
1 288 . 3 1 1 A 32 32 LYS N N 32 118.195 119.510 -1.315 1
1 289 . 3 1 1 A 33 33 GLU H H 33 7.512 7.786 -0.274 1
1 290 . 3 1 1 A 33 33 GLU HA H 33 4.031 4.104 -0.073 1
1 295 . 3 1 1 A 33 33 GLU C C 33 178.989 179.567 -0.578 1
1 296 . 3 1 1 A 33 33 GLU CA C 33 59.157 59.104 0.053 1
1 297 . 3 1 1 A 33 33 GLU CB C 33 29.220 29.691 -0.471 1
1 299 . 3 1 1 A 33 33 GLU N N 33 118.459 119.772 -1.313 1
1 300 . 3 1 1 A 34 34 ILE H H 34 7.912 7.817 0.095 1
1 301 . 3 1 1 A 34 34 ILE HA H 34 3.503 3.881 -0.378 1
1 311 . 3 1 1 A 34 34 ILE C C 34 180.639 177.815 2.824 1
1 312 . 3 1 1 A 34 34 ILE CA C 34 65.305 64.046 1.259 1
1 313 . 3 1 1 A 34 34 ILE CB C 34 38.540 37.493 1.047 1
1 317 . 3 1 1 A 34 34 ILE N N 34 120.176 117.840 2.336 1
1 318 . 3 1 1 A 35 35 ASP H H 35 8.457 8.503 -0.046 1
1 319 . 3 1 1 A 35 35 ASP HA H 35 4.145 4.325 -0.180 1
1 322 . 3 1 1 A 35 35 ASP C C 35 178.790 179.247 -0.457 1
1 323 . 3 1 1 A 35 35 ASP CA C 35 58.322 57.908 0.414 1
1 324 . 3 1 1 A 35 35 ASP CB C 35 39.538 40.864 -1.326 1
1 325 . 3 1 1 A 35 35 ASP N N 35 123.589 121.604 1.985 1
1 326 . 3 1 1 A 36 36 LYS H H 36 7.573 8.100 -0.527 1
1 327 . 3 1 1 A 36 36 LYS HA H 36 4.187 4.195 -0.008 1
1 334 . 3 1 1 A 36 36 LYS C C 36 176.400 177.757 -1.357 1
1 335 . 3 1 1 A 36 36 LYS CA C 36 58.656 58.791 -0.135 1
1 336 . 3 1 1 A 36 36 LYS CB C 36 32.991 32.306 0.685 1
1 340 . 3 1 1 A 36 36 LYS N N 36 117.506 119.202 -1.696 1
1 341 . 3 1 1 A 37 37 ARG H H 37 7.397 7.295 0.102 1
1 342 . 3 1 1 A 37 37 ARG HA H 37 4.658 4.610 0.048 1
1 348 . 3 1 1 A 37 37 ARG C C 37 174.361 175.872 -1.511 1
1 349 . 3 1 1 A 37 37 ARG CA C 37 55.793 55.374 0.419 1
1 350 . 3 1 1 A 37 37 ARG CB C 37 31.260 30.550 0.710 1
1 353 . 3 1 1 A 37 37 ARG N N 37 115.182 117.671 -2.489 1
1 354 . 3 1 1 A 38 38 SER H H 38 7.416 7.649 -0.233 1
1 355 . 3 1 1 A 38 38 SER HA H 38 6.346 5.118 1.228 1
1 358 . 3 1 1 A 38 38 SER C C 38 173.807 173.670 0.137 1
1 359 . 3 1 1 A 38 38 SER CA C 38 57.574 56.547 1.027 1
1 360 . 3 1 1 A 38 38 SER CB C 38 67.003 65.644 1.359 1
1 361 . 3 1 1 A 38 38 SER N N 38 112.872 113.730 -0.858 1
1 362 . 3 1 1 A 39 39 VAL H H 39 8.812 8.904 -0.092 1
1 363 . 3 1 1 A 39 39 VAL HA H 39 5.117 5.246 -0.129 1
1 371 . 3 1 1 A 39 39 VAL C C 39 174.519 173.284 1.235 1
1 372 . 3 1 1 A 39 39 VAL CA C 39 59.085 60.431 -1.346 1
1 373 . 3 1 1 A 39 39 VAL CB C 39 34.476 35.976 -1.500 1
1 376 . 3 1 1 A 39 39 VAL N N 39 111.961 121.644 -9.683 1
1 377 . 3 1 1 A 40 40 TYR H H 40 9.366 9.701 -0.335 1
1 378 . 3 1 1 A 40 40 TYR HA H 40 5.108 4.641 0.467 1
1 385 . 3 1 1 A 40 40 TYR C C 40 172.976 173.728 -0.752 1
1 386 . 3 1 1 A 40 40 TYR CA C 40 56.633 55.827 0.806 1
1 387 . 3 1 1 A 40 40 TYR CB C 40 41.058 41.095 -0.037 1
1 390 . 3 1 1 A 40 40 TYR N N 40 123.743 127.056 -3.313 1
1 391 . 3 1 1 A 41 41 VAL H H 41 8.734 9.059 -0.325 1
1 392 . 3 1 1 A 41 41 VAL HA H 41 4.876 4.405 0.471 1
1 400 . 3 1 1 A 41 41 VAL C C 41 174.651 174.688 -0.037 1
1 401 . 3 1 1 A 41 41 VAL CA C 41 59.798 60.508 -0.710 1
1 402 . 3 1 1 A 41 41 VAL CB C 41 33.329 33.060 0.269 1
1 405 . 3 1 1 A 41 41 VAL N N 41 127.436 126.842 0.594 1
1 406 . 3 1 1 A 42 42 GLY H H 42 9.669 8.700 0.969 1
1 407 . 3 1 1 A 42 42 GLY HA2 H 42 3.612 3.943 -0.331 1
1 408 . 3 1 1 A 42 42 GLY HA3 H 42 4.392 4.041 0.351 1
1 409 . 3 1 1 A 42 42 GLY C C 42 173.639 174.259 -0.620 1
1 410 . 3 1 1 A 42 42 GLY CA C 42 44.169 43.370 0.799 1
1 411 . 3 1 1 A 42 42 GLY N N 42 113.263 115.148 -1.885 1
1 412 . 3 1 1 A 43 43 ASN H H 43 8.412 8.973 -0.561 1
1 413 . 3 1 1 A 43 43 ASN HA H 43 4.510 4.339 0.171 1
1 418 . 3 1 1 A 43 43 ASN C C 43 174.364 174.980 -0.616 1
1 419 . 3 1 1 A 43 43 ASN CA C 43 53.557 54.234 -0.677 1
1 420 . 3 1 1 A 43 43 ASN CB C 43 37.283 38.112 -0.829 1
1 421 . 3 1 1 A 43 43 ASN N N 43 115.451 119.306 -3.855 1
1 423 . 3 1 1 A 44 44 VAL H H 44 7.083 7.424 -0.341 1
1 424 . 3 1 1 A 44 44 VAL HA H 44 3.975 4.122 -0.147 1
1 432 . 3 1 1 A 44 44 VAL C C 44 175.885 174.201 1.684 1
1 433 . 3 1 1 A 44 44 VAL CA C 44 61.614 62.196 -0.582 1
1 434 . 3 1 1 A 44 44 VAL CB C 44 32.914 32.181 0.733 1
1 437 . 3 1 1 A 44 44 VAL N N 44 115.399 119.737 -4.338 1
1 438 . 3 1 1 A 45 45 ASP H H 45 8.305 8.748 -0.443 1
1 439 . 3 1 1 A 45 45 ASP HA H 45 4.467 5.197 -0.730 1
1 442 . 3 1 1 A 45 45 ASP C C 45 177.205 175.191 2.014 1
1 443 . 3 1 1 A 45 45 ASP CA C 45 54.613 52.589 2.024 1
1 444 . 3 1 1 A 45 45 ASP CB C 45 43.657 43.882 -0.225 1
1 445 . 3 1 1 A 45 45 ASP N N 45 124.440 130.005 -5.565 1
1 446 . 3 1 1 A 46 46 TYR H H 46 8.715 8.664 0.051 1
1 447 . 3 1 1 A 46 46 TYR HA H 46 4.483 4.087 0.396 1
1 454 . 3 1 1 A 46 46 TYR C C 46 175.453 176.643 -1.190 1
1 455 . 3 1 1 A 46 46 TYR CA C 46 59.464 60.085 -0.621 1
1 456 . 3 1 1 A 46 46 TYR CB C 46 38.753 38.083 0.670 1
1 458 . 3 1 1 A 46 46 TYR N N 46 125.588 123.622 1.966 1
1 459 . 3 1 1 A 47 47 GLY H H 47 8.387 8.784 -0.397 1
1 460 . 3 1 1 A 47 47 GLY HA2 H 47 3.561 4.095 -0.534 1
1 461 . 3 1 1 A 47 47 GLY HA3 H 47 4.348 4.101 0.247 1
1 462 . 3 1 1 A 47 47 GLY C C 47 173.578 174.626 -1.048 1
1 463 . 3 1 1 A 47 47 GLY CA C 47 44.965 45.486 -0.521 1
1 464 . 3 1 1 A 47 47 GLY N N 47 106.974 113.705 -6.731 1
1 465 . 3 1 1 A 48 48 SER H H 48 7.417 7.873 -0.456 1
1 466 . 3 1 1 A 48 48 SER HA H 48 4.428 4.723 -0.295 1
1 468 . 3 1 1 A 48 48 SER C C 48 173.220 174.866 -1.646 1
1 469 . 3 1 1 A 48 48 SER CA C 48 59.892 58.461 1.431 1
1 470 . 3 1 1 A 48 48 SER CB C 48 64.519 64.956 -0.437 1
1 471 . 3 1 1 A 48 48 SER N N 48 115.423 117.063 -1.640 1
1 472 . 3 1 1 A 49 49 THR H H 49 8.474 9.242 -0.768 1
1 473 . 3 1 1 A 49 49 THR HA H 49 4.660 4.896 -0.236 1
1 478 . 3 1 1 A 49 49 THR C C 49 175.940 175.919 0.021 1
1 479 . 3 1 1 A 49 49 THR CA C 49 58.831 59.679 -0.848 1
1 480 . 3 1 1 A 49 49 THR CB C 49 72.585 72.231 0.354 1
1 482 . 3 1 1 A 49 49 THR N N 49 112.103 114.713 -2.610 1
1 483 . 3 1 1 A 50 50 ALA H H 50 9.723 8.991 0.732 1
1 484 . 3 1 1 A 50 50 ALA HA H 50 3.923 3.959 -0.036 1
1 488 . 3 1 1 A 50 50 ALA C C 50 179.045 179.566 -0.521 1
1 489 . 3 1 1 A 50 50 ALA CA C 50 55.643 55.189 0.454 1
1 490 . 3 1 1 A 50 50 ALA CB C 50 18.259 17.930 0.329 1
1 491 . 3 1 1 A 50 50 ALA N N 50 123.988 123.945 0.043 1
1 492 . 3 1 1 A 51 51 GLN H H 51 7.730 8.106 -0.376 1
1 493 . 3 1 1 A 51 51 GLN HA H 51 3.940 4.090 -0.150 1
1 500 . 3 1 1 A 51 51 GLN C C 51 178.215 177.927 0.288 1
1 501 . 3 1 1 A 51 51 GLN CA C 51 59.096 58.714 0.382 1
1 502 . 3 1 1 A 51 51 GLN CB C 51 28.508 28.384 0.124 1
1 504 . 3 1 1 A 51 51 GLN N N 51 116.375 118.104 -1.729 1
1 505 . 3 1 1 A 52 52 ASP H H 52 8.273 7.658 0.615 1
1 506 . 3 1 1 A 52 52 ASP HA H 52 4.587 4.510 0.077 1
1 507 . 3 1 1 A 52 52 ASP C C 52 179.837 179.113 0.724 1
1 508 . 3 1 1 A 52 52 ASP CA C 52 57.556 57.386 0.170 1
1 509 . 3 1 1 A 52 52 ASP CB C 52 41.057 41.003 0.054 1
1 510 . 3 1 1 A 52 52 ASP N N 52 120.755 120.055 0.700 1
1 511 . 3 1 1 A 53 53 LEU H H 53 7.855 8.288 -0.433 1
1 512 . 3 1 1 A 53 53 LEU HA H 53 3.933 4.246 -0.313 1
1 522 . 3 1 1 A 53 53 LEU C C 53 178.463 179.295 -0.832 1
1 523 . 3 1 1 A 53 53 LEU CA C 53 58.367 58.175 0.192 1
1 524 . 3 1 1 A 53 53 LEU CB C 53 42.646 40.994 1.652 1
1 528 . 3 1 1 A 53 53 LEU N N 53 122.035 121.514 0.521 1
1 529 . 3 1 1 A 54 54 GLU H H 54 8.804 8.657 0.147 1
1 530 . 3 1 1 A 54 54 GLU HA H 54 3.745 4.036 -0.291 1
1 534 . 3 1 1 A 54 54 GLU C C 54 178.467 178.854 -0.387 1
1 535 . 3 1 1 A 54 54 GLU CA C 54 59.833 59.188 0.645 1
1 536 . 3 1 1 A 54 54 GLU CB C 54 29.238 29.629 -0.391 1
1 538 . 3 1 1 A 54 54 GLU N N 54 120.472 118.180 2.292 1
1 539 . 3 1 1 A 55 55 ALA H H 55 8.098 7.975 0.123 1
1 540 . 3 1 1 A 55 55 ALA HA H 55 4.249 4.225 0.024 1
1 544 . 3 1 1 A 55 55 ALA C C 55 180.711 180.096 0.615 1
1 545 . 3 1 1 A 55 55 ALA CA C 55 55.077 55.135 -0.058 1
1 546 . 3 1 1 A 55 55 ALA CB C 55 18.164 18.847 -0.683 1
1 547 . 3 1 1 A 55 55 ALA N N 55 119.302 122.329 -3.027 1
1 548 . 3 1 1 A 56 56 HIS H H 56 7.927 7.886 0.041 1
1 549 . 3 1 1 A 56 56 HIS HA H 56 4.281 4.329 -0.048 1
1 553 . 3 1 1 A 56 56 HIS C C 56 176.342 177.213 -0.871 1
1 554 . 3 1 1 A 56 56 HIS CA C 56 59.362 59.413 -0.051 1
1 555 . 3 1 1 A 56 56 HIS CB C 56 31.200 29.904 1.296 1
1 556 . 3 1 1 A 56 56 HIS N N 56 117.016 118.157 -1.141 1
1 557 . 3 1 1 A 57 57 PHE H H 57 7.811 8.379 -0.568 1
1 558 . 3 1 1 A 57 57 PHE HA H 57 4.554 4.462 0.092 1
1 565 . 3 1 1 A 57 57 PHE C C 57 177.301 178.215 -0.914 1
1 566 . 3 1 1 A 57 57 PHE CA C 57 59.480 61.761 -2.281 1
1 567 . 3 1 1 A 57 57 PHE CB C 57 40.432 38.941 1.491 1
1 571 . 3 1 1 A 57 57 PHE N N 57 111.423 116.270 -4.847 1
1 572 . 3 1 1 A 58 58 SER H H 58 8.126 8.579 -0.453 1
1 573 . 3 1 1 A 58 58 SER HA H 58 4.468 4.687 -0.219 1
1 575 . 3 1 1 A 58 58 SER C C 58 176.676 176.584 0.092 1
1 576 . 3 1 1 A 58 58 SER CA C 58 62.159 61.940 0.219 1
1 577 . 3 1 1 A 58 58 SER N N 58 118.439 116.905 1.534 1
1 578 . 3 1 1 A 59 59 SER H H 59 8.422 7.654 0.768 1
1 579 . 3 1 1 A 59 59 SER HA H 59 4.291 4.235 0.056 1
1 581 . 3 1 1 A 59 59 SER C C 59 175.955 175.466 0.489 1
1 582 . 3 1 1 A 59 59 SER CA C 59 60.277 61.291 -1.014 1
1 583 . 3 1 1 A 59 59 SER CB C 59 62.444 62.946 -0.502 1
1 584 . 3 1 1 A 59 59 SER N N 59 116.618 118.198 -1.580 1
1 585 . 3 1 1 A 60 60 CYS H H 60 8.226 7.775 0.451 1
1 586 . 3 1 1 A 60 60 CYS HA H 60 4.067 4.433 -0.366 1
1 589 . 3 1 1 A 60 60 CYS C C 60 174.682 174.484 0.198 1
1 590 . 3 1 1 A 60 60 CYS CA C 60 60.683 59.619 1.064 1
1 591 . 3 1 1 A 60 60 CYS CB C 60 28.894 28.389 0.505 1
1 592 . 3 1 1 A 60 60 CYS N N 60 118.900 117.571 1.329 1
1 593 . 3 1 1 A 61 61 GLY H H 61 7.414 7.310 0.104 1
1 594 . 3 1 1 A 61 61 GLY HA2 H 61 3.887 4.030 -0.143 1
1 595 . 3 1 1 A 61 61 GLY HA3 H 61 4.489 4.098 0.391 1
1 596 . 3 1 1 A 61 61 GLY C C 61 171.619 172.582 -0.963 1
1 597 . 3 1 1 A 61 61 GLY CA C 61 44.000 44.618 -0.618 1
1 598 . 3 1 1 A 61 61 GLY N N 61 106.320 109.085 -2.765 1
1 599 . 3 1 1 A 62 62 SER H H 62 8.182 7.969 0.213 1
1 600 . 3 1 1 A 62 62 SER HA H 62 4.420 5.322 -0.902 1
1 603 . 3 1 1 A 62 62 SER C C 62 175.295 174.029 1.266 1
1 604 . 3 1 1 A 62 62 SER CA C 62 59.839 58.291 1.548 1
1 605 . 3 1 1 A 62 62 SER CB C 62 63.617 64.538 -0.921 1
1 606 . 3 1 1 A 62 62 SER N N 62 112.485 117.444 -4.959 1
1 607 . 3 1 1 A 63 63 ILE H H 63 8.857 9.091 -0.234 1
1 608 . 3 1 1 A 63 63 ILE HA H 63 4.007 4.073 -0.066 1
1 618 . 3 1 1 A 63 63 ILE C C 63 175.045 175.762 -0.717 1
1 619 . 3 1 1 A 63 63 ILE CA C 63 61.979 61.298 0.681 1
1 620 . 3 1 1 A 63 63 ILE CB C 63 41.048 37.810 3.238 1
1 624 . 3 1 1 A 63 63 ILE N N 63 127.966 126.614 1.352 1
1 625 . 3 1 1 A 64 64 ASN H H 64 8.897 9.085 -0.188 1
1 626 . 3 1 1 A 64 64 ASN HA H 64 4.667 4.847 -0.180 1
1 631 . 3 1 1 A 64 64 ASN C C 64 174.686 175.539 -0.853 1
1 632 . 3 1 1 A 64 64 ASN CA C 64 53.627 55.280 -1.653 1
1 633 . 3 1 1 A 64 64 ASN CB C 64 40.062 40.425 -0.363 1
1 634 . 3 1 1 A 64 64 ASN N N 64 124.997 126.186 -1.189 1
1 636 . 3 1 1 A 65 65 ARG H H 65 7.419 7.387 0.032 1
1 637 . 3 1 1 A 65 65 ARG HA H 65 5.155 4.871 0.284 1
1 645 . 3 1 1 A 65 65 ARG C C 65 173.788 174.281 -0.493 1
1 646 . 3 1 1 A 65 65 ARG CA C 65 55.703 54.844 0.859 1
1 647 . 3 1 1 A 65 65 ARG CB C 65 35.408 35.087 0.321 1
1 650 . 3 1 1 A 65 65 ARG N N 65 116.737 116.533 0.204 1
1 652 . 3 1 1 A 66 66 ILE H H 66 8.681 8.598 0.083 1
1 653 . 3 1 1 A 66 66 ILE HA H 66 4.574 5.205 -0.631 1
1 663 . 3 1 1 A 66 66 ILE C C 66 173.717 174.222 -0.505 1
1 664 . 3 1 1 A 66 66 ILE CA C 66 61.049 59.021 2.028 1
1 665 . 3 1 1 A 66 66 ILE CB C 66 42.988 42.134 0.854 1
1 669 . 3 1 1 A 66 66 ILE N N 66 123.359 117.112 6.247 1
1 670 . 3 1 1 A 67 67 THR H H 67 8.861 8.691 0.170 1
1 671 . 3 1 1 A 67 67 THR HA H 67 5.378 4.927 0.451 1
1 676 . 3 1 1 A 67 67 THR C C 67 173.526 173.277 0.249 1
1 677 . 3 1 1 A 67 67 THR CA C 67 61.112 61.673 -0.561 1
1 678 . 3 1 1 A 67 67 THR CB C 67 70.857 70.061 0.796 1
1 680 . 3 1 1 A 67 67 THR N N 67 124.375 118.895 5.480 1
1 681 . 3 1 1 A 68 68 ILE H H 68 9.768 9.109 0.659 1
1 682 . 3 1 1 A 68 68 ILE HA H 68 4.333 4.686 -0.353 1
1 692 . 3 1 1 A 68 68 ILE C C 68 173.743 174.833 -1.090 1
1 693 . 3 1 1 A 68 68 ILE CA C 68 61.237 59.955 1.282 1
1 694 . 3 1 1 A 68 68 ILE CB C 68 40.908 40.318 0.590 1
1 698 . 3 1 1 A 68 68 ILE N N 68 127.340 128.502 -1.162 1
1 699 . 3 1 1 A 69 69 LEU H H 69 9.045 9.151 -0.106 1
1 700 . 3 1 1 A 69 69 LEU HA H 69 5.074 5.021 0.053 1
1 710 . 3 1 1 A 69 69 LEU C C 69 175.502 175.111 0.391 1
1 711 . 3 1 1 A 69 69 LEU CA C 69 55.186 52.931 2.255 1
1 712 . 3 1 1 A 69 69 LEU CB C 69 42.702 44.453 -1.751 1
1 716 . 3 1 1 A 69 69 LEU N N 69 128.686 125.270 3.416 1
1 717 . 3 1 1 A 70 70 CYS H H 70 8.767 8.827 -0.060 1
1 718 . 3 1 1 A 70 70 CYS HA H 70 5.237 5.689 -0.452 1
1 720 . 3 1 1 A 70 70 CYS C C 70 173.558 172.169 1.389 1
1 721 . 3 1 1 A 70 70 CYS CA C 70 57.609 56.722 0.887 1
1 722 . 3 1 1 A 70 70 CYS CB C 70 29.830 29.178 0.652 1
1 723 . 3 1 1 A 70 70 CYS N N 70 120.856 121.610 -0.754 1
1 724 . 3 1 1 A 71 71 ASP H H 71 9.109 9.059 0.050 1
1 725 . 3 1 1 A 71 71 ASP HA H 71 5.193 5.126 0.067 1
1 728 . 3 1 1 A 71 71 ASP C C 71 175.440 175.645 -0.205 1
1 729 . 3 1 1 A 71 71 ASP CA C 71 53.705 52.693 1.012 1
1 730 . 3 1 1 A 71 71 ASP CB C 71 44.774 43.947 0.827 1
1 731 . 3 1 1 A 71 71 ASP N N 71 124.936 124.978 -0.042 1
1 732 . 3 1 1 A 72 72 LYS H H 72 8.262 8.782 -0.520 1
1 733 . 3 1 1 A 72 72 LYS HA H 72 4.553 4.957 -0.404 1
1 740 . 3 1 1 A 72 72 LYS C C 72 177.732 177.511 0.221 1
1 741 . 3 1 1 A 72 72 LYS CA C 72 55.608 55.779 -0.171 1
1 742 . 3 1 1 A 72 72 LYS CB C 72 32.469 33.503 -1.034 1
1 745 . 3 1 1 A 72 72 LYS N N 72 120.339 127.775 -7.436 1
1 746 . 3 1 1 A 73 73 PHE H H 73 8.663 8.155 0.508 1
1 747 . 3 1 1 A 73 73 PHE HA H 73 4.357 4.415 -0.058 1
1 752 . 3 1 1 A 73 73 PHE C C 73 177.148 176.301 0.847 1
1 753 . 3 1 1 A 73 73 PHE CA C 73 60.214 59.602 0.612 1
1 754 . 3 1 1 A 73 73 PHE CB C 73 39.157 37.495 1.662 1
1 756 . 3 1 1 A 73 73 PHE N N 73 121.961 119.062 2.899 1
1 757 . 3 1 1 A 74 74 SER H H 74 8.780 7.897 0.883 1
1 758 . 3 1 1 A 74 74 SER HA H 74 4.353 4.803 -0.450 1
1 760 . 3 1 1 A 74 74 SER C C 74 174.810 174.782 0.028 1
1 761 . 3 1 1 A 74 74 SER CA C 74 58.965 58.194 0.771 1
1 762 . 3 1 1 A 74 74 SER CB C 74 63.650 63.705 -0.055 1
1 763 . 3 1 1 A 74 74 SER N N 74 114.021 115.086 -1.065 1
1 764 . 3 1 1 A 75 75 GLY H H 75 8.004 8.503 -0.499 1
1 765 . 3 1 1 A 75 75 GLY HA2 H 75 3.635 4.071 -0.436 1
1 766 . 3 1 1 A 75 75 GLY HA3 H 75 4.221 4.131 0.090 1
1 767 . 3 1 1 A 75 75 GLY C C 75 173.254 174.618 -1.364 1
1 768 . 3 1 1 A 75 75 GLY CA C 75 45.162 45.441 -0.279 1
1 769 . 3 1 1 A 75 75 GLY N N 75 108.714 109.552 -0.838 1
1 770 . 3 1 1 A 76 76 HIS H H 76 7.670 8.034 -0.364 1
1 771 . 3 1 1 A 76 76 HIS HA H 76 5.020 4.771 0.249 1
1 775 . 3 1 1 A 76 76 HIS CA C 76 52.522 54.498 -1.976 1
1 776 . 3 1 1 A 76 76 HIS CB C 76 29.410 30.267 -0.857 1
1 777 . 3 1 1 A 76 76 HIS N N 76 118.164 119.217 -1.053 1
1 778 . 3 1 1 A 77 77 PRO HA H 77 4.551 5.029 -0.478 1
1 784 . 3 1 1 A 77 77 PRO C C 77 176.458 176.205 0.253 1
1 785 . 3 1 1 A 77 77 PRO CA C 77 63.263 62.511 0.752 1
1 786 . 3 1 1 A 77 77 PRO CB C 77 32.077 31.975 0.102 1
1 789 . 3 1 1 A 78 78 LYS H H 78 8.846 9.288 -0.442 1
1 790 . 3 1 1 A 78 78 LYS HA H 78 4.772 5.137 -0.365 1
1 796 . 3 1 1 A 78 78 LYS CA C 78 55.964 54.449 1.515 1
1 797 . 3 1 1 A 78 78 LYS CB C 78 35.816 35.941 -0.125 1
1 799 . 3 1 1 A 78 78 LYS N N 78 124.197 122.907 1.290 1
1 800 . 3 1 1 A 79 79 GLY H H 79 8.352 8.425 -0.073 1
1 801 . 3 1 1 A 79 79 GLY HA2 H 79 3.871 4.260 -0.389 1
1 802 . 3 1 1 A 79 79 GLY HA3 H 79 5.451 4.328 1.123 1
1 803 . 3 1 1 A 79 79 GLY C C 79 173.400 172.181 1.219 1
1 804 . 3 1 1 A 79 79 GLY CA C 79 45.189 44.803 0.386 1
1 805 . 3 1 1 A 79 79 GLY N N 79 109.568 108.281 1.287 1
1 806 . 3 1 1 A 80 80 TYR H H 80 8.856 8.940 -0.084 1
1 807 . 3 1 1 A 80 80 TYR HA H 80 4.940 5.376 -0.436 1
1 814 . 3 1 1 A 80 80 TYR C C 80 171.720 172.536 -0.816 1
1 815 . 3 1 1 A 80 80 TYR CA C 80 56.267 56.209 0.058 1
1 816 . 3 1 1 A 80 80 TYR CB C 80 40.003 41.997 -1.994 1
1 818 . 3 1 1 A 80 80 TYR N N 80 120.052 116.474 3.578 1
1 819 . 3 1 1 A 81 81 ALA H H 81 9.215 8.844 0.371 1
1 820 . 3 1 1 A 81 81 ALA HA H 81 5.386 5.500 -0.114 1
1 824 . 3 1 1 A 81 81 ALA C C 81 175.357 175.266 0.091 1
1 825 . 3 1 1 A 81 81 ALA CA C 81 50.089 50.334 -0.245 1
1 826 . 3 1 1 A 81 81 ALA CB C 81 24.030 23.378 0.652 1
1 827 . 3 1 1 A 81 81 ALA N N 81 120.138 122.207 -2.069 1
1 828 . 3 1 1 A 82 82 TYR H H 82 8.974 9.193 -0.219 1
1 829 . 3 1 1 A 82 82 TYR HA H 82 5.885 5.594 0.291 1
1 836 . 3 1 1 A 82 82 TYR C C 82 176.232 174.320 1.912 1
1 837 . 3 1 1 A 82 82 TYR CA C 82 55.626 56.778 -1.152 1
1 838 . 3 1 1 A 82 82 TYR CB C 82 41.536 41.178 0.358 1
1 839 . 3 1 1 A 82 82 TYR N N 82 114.621 118.134 -3.513 1
1 840 . 3 1 1 A 83 83 ILE H H 83 8.644 8.858 -0.214 1
1 841 . 3 1 1 A 83 83 ILE HA H 83 4.275 4.367 -0.092 1
1 851 . 3 1 1 A 83 83 ILE C C 83 173.516 174.655 -1.139 1
1 852 . 3 1 1 A 83 83 ILE CA C 83 60.345 59.834 0.511 1
1 853 . 3 1 1 A 83 83 ILE CB C 83 39.535 38.277 1.258 1
1 857 . 3 1 1 A 83 83 ILE N N 83 122.447 124.144 -1.697 1
1 858 . 3 1 1 A 84 84 GLU H H 84 8.612 9.077 -0.465 1
1 859 . 3 1 1 A 84 84 GLU HA H 84 4.801 4.907 -0.106 1
1 862 . 3 1 1 A 84 84 GLU C C 84 176.111 175.534 0.577 1
1 863 . 3 1 1 A 84 84 GLU CA C 84 54.496 55.038 -0.542 1
1 864 . 3 1 1 A 84 84 GLU CB C 84 31.499 31.373 0.126 1
1 865 . 3 1 1 A 84 84 GLU N N 84 127.346 127.461 -0.115 1
1 866 . 3 1 1 A 85 85 PHE H H 85 9.087 8.961 0.126 1
1 867 . 3 1 1 A 85 85 PHE HA H 85 4.817 4.964 -0.147 1
1 875 . 3 1 1 A 85 85 PHE C C 85 174.422 177.020 -2.598 1
1 876 . 3 1 1 A 85 85 PHE CA C 85 59.072 57.791 1.281 1
1 877 . 3 1 1 A 85 85 PHE CB C 85 40.765 41.492 -0.727 1
1 878 . 3 1 1 A 85 85 PHE N N 85 128.049 124.040 4.009 1
1 879 . 3 1 1 A 86 86 ALA H H 86 8.192 9.351 -1.159 1
1 880 . 3 1 1 A 86 86 ALA HA H 86 4.239 4.270 -0.031 1
1 884 . 3 1 1 A 86 86 ALA C C 86 178.143 177.279 0.864 1
1 885 . 3 1 1 A 86 86 ALA CA C 86 54.524 54.710 -0.186 1
1 886 . 3 1 1 A 86 86 ALA CB C 86 19.510 19.440 0.070 1
1 887 . 3 1 1 A 86 86 ALA N N 86 120.669 123.393 -2.724 1
1 888 . 3 1 1 A 87 87 GLU H H 87 8.455 8.252 0.203 1
1 889 . 3 1 1 A 87 87 GLU HA H 87 4.765 4.747 0.018 1
1 893 . 3 1 1 A 87 87 GLU C C 87 176.472 177.204 -0.732 1
1 894 . 3 1 1 A 87 87 GLU CA C 87 54.353 55.211 -0.858 1
1 895 . 3 1 1 A 87 87 GLU CB C 87 32.624 32.519 0.105 1
1 897 . 3 1 1 A 87 87 GLU N N 87 114.204 116.747 -2.543 1
1 898 . 3 1 1 A 88 88 ARG H H 88 8.917 9.047 -0.130 1
1 899 . 3 1 1 A 88 88 ARG HA H 88 3.961 4.003 -0.042 1
1 905 . 3 1 1 A 88 88 ARG C C 88 178.900 177.679 1.221 1
1 906 . 3 1 1 A 88 88 ARG CA C 88 59.548 59.683 -0.135 1
1 907 . 3 1 1 A 88 88 ARG CB C 88 30.073 29.721 0.352 1
1 910 . 3 1 1 A 88 88 ARG N N 88 121.592 123.494 -1.902 1
1 911 . 3 1 1 A 89 89 ASN H H 89 8.845 8.490 0.355 1
1 912 . 3 1 1 A 89 89 ASN HA H 89 4.497 4.443 0.054 1
1 916 . 3 1 1 A 89 89 ASN C C 89 177.179 177.436 -0.257 1
1 917 . 3 1 1 A 89 89 ASN CA C 89 55.861 55.535 0.326 1
1 918 . 3 1 1 A 89 89 ASN CB C 89 37.330 37.191 0.139 1
1 919 . 3 1 1 A 89 89 ASN N N 89 116.555 117.022 -0.467 1
1 921 . 3 1 1 A 90 90 SER H H 90 7.513 7.848 -0.335 1
1 922 . 3 1 1 A 90 90 SER HA H 90 4.006 4.363 -0.357 1
1 925 . 3 1 1 A 90 90 SER C C 90 174.511 175.891 -1.380 1
1 926 . 3 1 1 A 90 90 SER CA C 90 61.395 62.272 -0.877 1
1 927 . 3 1 1 A 90 90 SER CB C 90 63.424 62.692 0.732 1
1 928 . 3 1 1 A 90 90 SER N N 90 116.007 117.189 -1.182 1
1 929 . 3 1 1 A 91 91 VAL H H 91 7.653 7.596 0.057 1
1 930 . 3 1 1 A 91 91 VAL HA H 91 3.201 3.648 -0.447 1
1 938 . 3 1 1 A 91 91 VAL C C 91 176.991 177.295 -0.304 1
1 939 . 3 1 1 A 91 91 VAL CA C 91 66.851 65.123 1.728 1
1 940 . 3 1 1 A 91 91 VAL CB C 91 31.599 31.284 0.315 1
1 943 . 3 1 1 A 91 91 VAL N N 91 119.934 119.678 0.256 1
1 944 . 3 1 1 A 92 92 ASP H H 92 7.192 7.901 -0.709 1
1 945 . 3 1 1 A 92 92 ASP HA H 92 4.321 4.376 -0.055 1
1 947 . 3 1 1 A 92 92 ASP C C 92 178.585 177.886 0.699 1
1 948 . 3 1 1 A 92 92 ASP CA C 92 57.401 57.262 0.139 1
1 949 . 3 1 1 A 92 92 ASP CB C 92 40.078 41.833 -1.755 1
1 950 . 3 1 1 A 92 92 ASP N N 92 117.084 121.082 -3.998 1
1 951 . 3 1 1 A 93 93 ALA H H 93 6.946 7.679 -0.733 1
1 952 . 3 1 1 A 93 93 ALA HA H 93 4.186 4.166 0.020 1
1 956 . 3 1 1 A 93 93 ALA C C 93 179.272 179.790 -0.518 1
1 957 . 3 1 1 A 93 93 ALA CA C 93 54.445 54.714 -0.269 1
1 958 . 3 1 1 A 93 93 ALA CB C 93 18.164 18.206 -0.042 1
1 959 . 3 1 1 A 93 93 ALA N N 93 121.045 120.910 0.135 1
1 960 . 3 1 1 A 94 94 ALA H H 94 8.033 7.843 0.190 1
1 961 . 3 1 1 A 94 94 ALA HA H 94 4.545 4.062 0.483 1
1 965 . 3 1 1 A 94 94 ALA C C 94 180.529 179.588 0.941 1
1 966 . 3 1 1 A 94 94 ALA CA C 94 55.518 55.114 0.404 1
1 967 . 3 1 1 A 94 94 ALA CB C 94 19.455 18.637 0.818 1
1 968 . 3 1 1 A 94 94 ALA N N 94 122.191 121.001 1.190 1
1 969 . 3 1 1 A 95 95 VAL H H 95 8.565 8.108 0.457 1
1 970 . 3 1 1 A 95 95 VAL HA H 95 3.741 3.931 -0.190 1
1 978 . 3 1 1 A 95 95 VAL C C 95 178.767 177.615 1.152 1
1 979 . 3 1 1 A 95 95 VAL CA C 95 65.820 64.802 1.018 1
1 980 . 3 1 1 A 95 95 VAL CB C 95 31.501 31.443 0.058 1
1 983 . 3 1 1 A 95 95 VAL N N 95 117.405 116.800 0.605 1
1 984 . 3 1 1 A 96 96 ALA H H 96 7.354 7.800 -0.446 1
1 985 . 3 1 1 A 96 96 ALA HA H 96 4.403 4.200 0.203 1
1 989 . 3 1 1 A 96 96 ALA C C 96 178.242 177.860 0.382 1
1 990 . 3 1 1 A 96 96 ALA CA C 96 53.916 53.863 0.053 1
1 991 . 3 1 1 A 96 96 ALA CB C 96 17.841 18.323 -0.482 1
1 992 . 3 1 1 A 96 96 ALA N N 96 122.769 123.713 -0.944 1
1 993 . 3 1 1 A 97 97 MET H H 97 7.980 7.723 0.257 1
1 994 . 3 1 1 A 97 97 MET HA H 97 4.471 4.600 -0.129 1
1 1002 . 3 1 1 A 97 97 MET C C 97 175.959 177.116 -1.157 1
1 1003 . 3 1 1 A 97 97 MET CA C 97 55.150 54.569 0.581 1
1 1004 . 3 1 1 A 97 97 MET CB C 97 31.663 32.793 -1.130 1
1 1007 . 3 1 1 A 97 97 MET N N 97 115.573 116.905 -1.332 1
1 1008 . 3 1 1 A 98 98 ASP H H 98 7.852 8.207 -0.355 1
1 1009 . 3 1 1 A 98 98 ASP HA H 98 4.422 4.428 -0.006 1
1 1012 . 3 1 1 A 98 98 ASP C C 98 175.976 177.290 -1.314 1
1 1013 . 3 1 1 A 98 98 ASP CA C 98 57.476 57.202 0.274 1
1 1014 . 3 1 1 A 98 98 ASP CB C 98 42.008 40.666 1.342 1
1 1015 . 3 1 1 A 98 98 ASP N N 98 121.576 119.226 2.350 1
1 1016 . 3 1 1 A 99 99 GLU H H 99 8.643 8.145 0.498 1
1 1017 . 3 1 1 A 99 99 GLU HA H 99 4.154 4.595 -0.441 1
1 1022 . 3 1 1 A 99 99 GLU C C 99 176.369 175.329 1.040 1
1 1023 . 3 1 1 A 99 99 GLU CA C 99 58.403 55.684 2.719 1
1 1024 . 3 1 1 A 99 99 GLU CB C 99 26.214 30.015 -3.801 1
1 1026 . 3 1 1 A 99 99 GLU N N 99 119.455 117.080 2.375 1
1 1027 . 3 1 1 A 100 100 THR H H 100 7.416 7.682 -0.266 1
1 1028 . 3 1 1 A 100 100 THR HA H 100 4.498 4.874 -0.376 1
1 1033 . 3 1 1 A 100 100 THR C C 100 172.876 173.323 -0.447 1
1 1034 . 3 1 1 A 100 100 THR CA C 100 61.065 60.889 0.176 1
1 1035 . 3 1 1 A 100 100 THR CB C 100 72.140 71.200 0.940 1
1 1037 . 3 1 1 A 100 100 THR N N 100 107.670 112.553 -4.883 1
1 1038 . 3 1 1 A 101 101 VAL H H 101 8.252 8.531 -0.279 1
1 1039 . 3 1 1 A 101 101 VAL HA H 101 4.638 5.019 -0.381 1
1 1047 . 3 1 1 A 101 101 VAL C C 101 176.138 173.410 2.728 1
1 1048 . 3 1 1 A 101 101 VAL CA C 101 62.299 59.493 2.806 1
1 1049 . 3 1 1 A 101 101 VAL CB C 101 32.215 34.352 -2.137 1
1 1052 . 3 1 1 A 101 101 VAL N N 101 118.227 121.099 -2.872 1
1 1053 . 3 1 1 A 102 102 PHE H H 102 9.300 9.551 -0.251 1
1 1054 . 3 1 1 A 102 102 PHE HA H 102 4.671 4.696 -0.025 1
1 1061 . 3 1 1 A 102 102 PHE C C 102 174.216 174.851 -0.635 1
1 1062 . 3 1 1 A 102 102 PHE CA C 102 56.205 57.369 -1.164 1
1 1063 . 3 1 1 A 102 102 PHE CB C 102 41.707 41.005 0.702 1
1 1064 . 3 1 1 A 102 102 PHE N N 102 128.863 130.128 -1.265 1
1 1065 . 3 1 1 A 103 103 ARG H H 103 9.167 9.242 -0.075 1
1 1066 . 3 1 1 A 103 103 ARG HA H 103 3.389 3.833 -0.444 1
1 1075 . 3 1 1 A 103 103 ARG C C 103 176.014 176.138 -0.124 1
1 1076 . 3 1 1 A 103 103 ARG CA C 103 57.215 56.933 0.282 1
1 1077 . 3 1 1 A 103 103 ARG CB C 103 27.382 27.924 -0.542 1
1 1080 . 3 1 1 A 103 103 ARG N N 103 128.268 127.454 0.814 1
1 1082 . 3 1 1 A 104 104 GLY H H 104 8.005 8.355 -0.350 1
1 1083 . 3 1 1 A 104 104 GLY HA2 H 104 4.006 3.910 0.096 1
1 1084 . 3 1 1 A 104 104 GLY HA3 H 104 3.455 3.910 -0.455 1
1 1085 . 3 1 1 A 104 104 GLY C C 104 173.766 173.642 0.124 1
1 1086 . 3 1 1 A 104 104 GLY CA C 104 45.598 45.112 0.486 1
1 1087 . 3 1 1 A 104 104 GLY N N 104 101.324 105.380 -4.056 1
1 1088 . 3 1 1 A 105 105 ARG H H 105 7.681 7.939 -0.258 1
1 1089 . 3 1 1 A 105 105 ARG HA H 105 4.735 4.953 -0.218 1
1 1097 . 3 1 1 A 105 105 ARG C C 105 174.543 174.909 -0.366 1
1 1098 . 3 1 1 A 105 105 ARG CA C 105 54.071 54.263 -0.192 1
1 1099 . 3 1 1 A 105 105 ARG CB C 105 33.159 33.277 -0.118 1
1 1102 . 3 1 1 A 105 105 ARG N N 105 119.837 116.342 3.495 1
1 1104 . 3 1 1 A 106 106 THR H H 106 8.604 8.648 -0.044 1
1 1105 . 3 1 1 A 106 106 THR HA H 106 4.593 4.613 -0.020 1
1 1110 . 3 1 1 A 106 106 THR C C 106 175.643 174.333 1.310 1
1 1111 . 3 1 1 A 106 106 THR CA C 106 62.821 63.337 -0.516 1
1 1112 . 3 1 1 A 106 106 THR CB C 106 68.784 69.035 -0.251 1
1 1114 . 3 1 1 A 106 106 THR N N 106 118.251 117.652 0.599 1
1 1115 . 3 1 1 A 107 107 ILE H H 107 8.756 8.526 0.230 1
1 1116 . 3 1 1 A 107 107 ILE HA H 107 4.884 5.007 -0.123 1
1 1126 . 3 1 1 A 107 107 ILE C C 107 174.877 174.066 0.811 1
1 1127 . 3 1 1 A 107 107 ILE CA C 107 60.834 59.013 1.821 1
1 1128 . 3 1 1 A 107 107 ILE CB C 107 40.644 40.394 0.250 1
1 1132 . 3 1 1 A 107 107 ILE N N 107 123.422 123.513 -0.091 1
1 1133 . 3 1 1 A 108 108 LYS H H 108 7.412 8.225 -0.813 1
1 1134 . 3 1 1 A 108 108 LYS HA H 108 5.524 5.937 -0.413 1
1 1141 . 3 1 1 A 108 108 LYS C C 108 175.839 174.732 1.107 1
1 1142 . 3 1 1 A 108 108 LYS CA C 108 52.172 54.801 -2.629 1
1 1143 . 3 1 1 A 108 108 LYS CB C 108 33.947 36.271 -2.324 1
1 1147 . 3 1 1 A 108 108 LYS N N 108 121.402 121.994 -0.592 1
1 1148 . 3 1 1 A 109 109 VAL H H 109 9.467 8.697 0.770 1
1 1149 . 3 1 1 A 109 109 VAL HA H 109 5.410 5.695 -0.285 1
1 1157 . 3 1 1 A 109 109 VAL C C 109 174.514 174.562 -0.048 1
1 1158 . 3 1 1 A 109 109 VAL CA C 109 61.258 60.021 1.237 1
1 1159 . 3 1 1 A 109 109 VAL CB C 109 34.289 34.735 -0.446 1
1 1162 . 3 1 1 A 109 109 VAL N N 109 125.530 120.470 5.060 1
1 1163 . 3 1 1 A 110 110 LEU H H 110 9.081 9.036 0.045 1
1 1164 . 3 1 1 A 110 110 LEU HA H 110 5.109 4.933 0.176 1
1 1173 . 3 1 1 A 110 110 LEU CA C 110 51.660 51.164 0.496 1
1 1174 . 3 1 1 A 110 110 LEU CB C 110 46.037 45.443 0.594 1
1 1178 . 3 1 1 A 110 110 LEU N N 110 125.323 125.853 -0.530 1
1 1179 . 3 1 1 A 111 111 PRO HA H 111 4.539 4.913 -0.374 1
1 1186 . 3 1 1 A 111 111 PRO C C 111 176.222 176.402 -0.180 1
1 1187 . 3 1 1 A 111 111 PRO CA C 111 63.390 62.471 0.919 1
1 1188 . 3 1 1 A 111 111 PRO CB C 111 31.697 32.693 -0.996 1
1 1191 . 3 1 1 A 112 112 LYS H H 112 8.121 8.860 -0.739 1
1 1192 . 3 1 1 A 112 112 LYS HA H 112 4.113 4.442 -0.329 1
1 1199 . 3 1 1 A 112 112 LYS C C 112 175.830 176.486 -0.656 1
1 1200 . 3 1 1 A 112 112 LYS CA C 112 58.405 55.606 2.799 1
1 1201 . 3 1 1 A 112 112 LYS CB C 112 33.746 31.009 2.737 1
1 1204 . 3 1 1 A 112 112 LYS N N 112 124.317 122.623 1.694 1
1 1205 . 3 1 1 A 113 113 ARG H H 113 8.228 8.400 -0.172 1
1 1206 . 3 1 1 A 113 113 ARG HA H 113 4.451 4.639 -0.188 1
1 1211 . 3 1 1 A 113 113 ARG C C 113 175.758 176.418 -0.660 1
1 1212 . 3 1 1 A 113 113 ARG CA C 113 55.468 55.456 0.012 1
1 1213 . 3 1 1 A 113 113 ARG CB C 113 31.550 30.991 0.559 1
1 1215 . 3 1 1 A 113 113 ARG N N 113 121.228 121.390 -0.162 1
1 1216 . 3 1 1 A 114 114 THR H H 114 8.138 7.881 0.257 1
1 1217 . 3 1 1 A 114 114 THR HA H 114 4.264 4.413 -0.149 1
1 1222 . 3 1 1 A 114 114 THR C C 114 174.043 174.338 -0.295 1
1 1223 . 3 1 1 A 114 114 THR CA C 114 62.229 62.328 -0.099 1
1 1224 . 3 1 1 A 114 114 THR CB C 114 69.682 68.680 1.002 1
1 1226 . 3 1 1 A 114 114 THR N N 114 116.384 115.791 0.593 1
1 1227 . 3 1 1 A 115 115 ASN H H 115 8.406 8.178 0.228 1
1 1228 . 3 1 1 A 115 115 ASN HA H 115 4.682 4.644 0.038 1
1 1233 . 3 1 1 A 115 115 ASN C C 115 174.513 176.537 -2.024 1
1 1234 . 3 1 1 A 115 115 ASN CA C 115 53.242 55.399 -2.157 1
1 1235 . 3 1 1 A 115 115 ASN CB C 115 38.888 38.128 0.760 1
1 1236 . 3 1 1 A 115 115 ASN N N 115 120.871 118.687 2.184 1
1 1238 . 3 1 1 A 116 116 MET H H 116 8.138 8.542 -0.404 1
1 1239 . 3 1 1 A 116 116 MET CA C 116 53.400 58.757 -5.357 1
1 1240 . 3 1 1 A 116 116 MET CB C 116 32.829 32.842 -0.013 1
1 1241 . 3 1 1 A 116 116 MET N N 116 121.611 117.374 4.237 1
1 1242 . 3 1 1 A 117 117 PRO HA H 117 4.428 4.735 -0.307 1
1 1245 . 3 1 1 A 117 117 PRO C C 117 175.935 176.215 -0.280 1
1 1246 . 3 1 1 A 117 117 PRO CA C 117 63.489 63.045 0.444 1
1 1247 . 3 1 1 A 117 117 PRO CB C 117 32.105 30.995 1.110 1
1 1248 . 3 1 1 A 118 118 GLY H H 118 8.411 7.613 0.798 1
1 1249 . 3 1 1 A 118 118 GLY HA2 H 118 3.927 4.214 -0.287 1
1 1250 . 3 1 1 A 118 118 GLY HA3 H 118 4.389 4.221 0.168 1
1 1251 . 3 1 1 A 118 118 GLY C C 118 174.117 173.495 0.622 1
1 1252 . 3 1 1 A 118 118 GLY CA C 118 45.470 45.208 0.262 1
1 1253 . 3 1 1 A 118 118 GLY N N 118 109.241 110.065 -0.824 1
1 1254 . 3 1 1 A 119 119 ILE H H 119 7.825 8.621 -0.796 1
1 1255 . 3 1 1 A 119 119 ILE HA H 119 4.234 4.120 0.114 1
1 1265 . 3 1 1 A 119 119 ILE C C 119 176.261 176.681 -0.420 1
1 1266 . 3 1 1 A 119 119 ILE CA C 119 61.029 62.531 -1.502 1
1 1267 . 3 1 1 A 119 119 ILE CB C 119 38.878 38.419 0.459 1
1 1270 . 3 1 1 A 119 119 ILE N N 119 119.504 121.120 -1.616 1
1 1271 . 3 1 1 A 120 120 SER H H 120 8.397 8.300 0.097 1
1 1272 . 3 1 1 A 120 120 SER HA H 120 4.534 4.344 0.190 1
1 1274 . 3 1 1 A 120 120 SER C C 120 174.692 172.577 2.115 1
1 1275 . 3 1 1 A 120 120 SER CA C 120 58.150 60.349 -2.199 1
1 1276 . 3 1 1 A 120 120 SER CB C 120 63.997 62.999 0.998 1
1 1277 . 3 1 1 A 120 120 SER N N 120 119.359 117.257 2.102 1
1 1278 . 3 1 1 A 121 121 SER H H 121 8.371 7.577 0.794 1
1 1279 . 3 1 1 A 121 121 SER HA H 121 4.360 4.608 -0.248 1
1 1280 . 3 1 1 A 121 121 SER C C 121 174.809 172.105 2.704 1
1 1281 . 3 1 1 A 121 121 SER CA C 121 58.656 56.727 1.929 1
1 1282 . 3 1 1 A 121 121 SER CB C 121 63.795 64.608 -0.813 1
1 1283 . 3 1 1 A 121 121 SER N N 121 118.036 116.216 1.820 1
1 1284 . 3 1 1 A 122 122 THR H H 122 8.100 8.682 -0.582 1
1 1285 . 3 1 1 A 122 122 THR C C 122 174.254 173.477 0.777 1
1 1286 . 3 1 1 A 122 122 THR CA C 122 61.829 60.867 0.962 1
1 1287 . 3 1 1 A 122 122 THR CB C 122 69.537 71.665 -2.128 1
1 1288 . 3 1 1 A 122 122 THR N N 122 114.163 116.560 -2.397 1
1 1289 . 3 1 1 A 123 123 ASP H H 123 8.197 9.082 -0.885 1
1 1290 . 3 1 1 A 123 123 ASP HA H 123 4.641 4.497 0.144 1
1 1292 . 3 1 1 A 123 123 ASP C C 123 174.975 174.468 0.507 1
1 1293 . 3 1 1 A 123 123 ASP CA C 123 54.542 55.803 -1.261 1
1 1294 . 3 1 1 A 123 123 ASP CB C 123 41.144 40.617 0.527 1
1 1295 . 3 1 1 A 123 123 ASP N N 123 122.772 128.441 -5.669 1
1 8 . 4 1 1 A 2 2 ILE H H 2 8.420 7.918 0.502 1
1 9 . 4 1 1 A 2 2 ILE HA H 2 4.219 4.158 0.061 1
1 11 . 4 1 1 A 2 2 ILE C C 2 175.424 175.621 -0.197 1
1 12 . 4 1 1 A 2 2 ILE CA C 2 61.022 60.979 0.043 1
1 13 . 4 1 1 A 2 2 ILE CB C 2 38.918 38.173 0.745 1
1 14 . 4 1 1 A 2 2 ILE N N 2 120.314 118.357 1.957 1
1 15 . 4 1 1 A 3 3 ALA H H 3 8.374 8.466 -0.092 1
1 16 . 4 1 1 A 3 3 ALA CA C 3 50.509 50.488 0.021 1
1 17 . 4 1 1 A 3 3 ALA CB C 3 18.608 19.372 -0.764 1
1 18 . 4 1 1 A 3 3 ALA N N 3 129.874 129.815 0.059 1
1 19 . 4 1 1 A 4 4 PRO HA H 4 4.446 4.438 0.008 1
1 22 . 4 1 1 A 4 4 PRO C C 4 176.949 176.300 0.649 1
1 23 . 4 1 1 A 4 4 PRO CA C 4 63.456 63.164 0.292 1
1 24 . 4 1 1 A 4 4 PRO CB C 4 32.203 31.813 0.390 1
1 25 . 4 1 1 A 5 5 CYS H H 5 8.347 8.615 -0.268 1
1 26 . 4 1 1 A 5 5 CYS HA H 5 4.492 4.928 -0.436 1
1 28 . 4 1 1 A 5 5 CYS C C 5 174.805 173.636 1.169 1
1 29 . 4 1 1 A 5 5 CYS CA C 5 58.495 57.857 0.638 1
1 30 . 4 1 1 A 5 5 CYS CB C 5 27.957 28.292 -0.335 1
1 31 . 4 1 1 A 5 5 CYS N N 5 118.477 123.924 -5.447 1
1 32 . 4 1 1 A 6 6 MET H H 6 8.421 9.025 -0.604 1
1 33 . 4 1 1 A 6 6 MET HA H 6 4.534 4.552 -0.018 1
1 35 . 4 1 1 A 6 6 MET C C 6 176.132 175.101 1.031 1
1 36 . 4 1 1 A 6 6 MET CA C 6 55.629 54.908 0.721 1
1 37 . 4 1 1 A 6 6 MET CB C 6 33.048 31.507 1.541 1
1 38 . 4 1 1 A 6 6 MET N N 6 122.952 126.172 -3.220 1
1 39 . 4 1 1 A 7 7 GLN H H 7 8.313 7.946 0.367 1
1 40 . 4 1 1 A 7 7 GLN HA H 7 4.435 4.641 -0.206 1
1 42 . 4 1 1 A 7 7 GLN C C 7 176.128 173.837 2.291 1
1 43 . 4 1 1 A 7 7 GLN CA C 7 56.109 56.214 -0.105 1
1 44 . 4 1 1 A 7 7 GLN CB C 7 29.591 30.311 -0.720 1
1 45 . 4 1 1 A 7 7 GLN N N 7 121.379 124.833 -3.454 1
1 46 . 4 1 1 A 8 8 THR H H 8 8.195 8.975 -0.780 1
1 47 . 4 1 1 A 8 8 THR HA H 8 4.406 4.750 -0.344 1
1 49 . 4 1 1 A 8 8 THR C C 8 174.739 174.158 0.581 1
1 50 . 4 1 1 A 8 8 THR CA C 8 61.856 61.528 0.328 1
1 51 . 4 1 1 A 8 8 THR CB C 8 69.854 70.435 -0.581 1
1 52 . 4 1 1 A 8 8 THR N N 8 115.096 121.253 -6.157 1
1 53 . 4 1 1 A 9 9 THR H H 9 8.081 8.844 -0.763 1
1 54 . 4 1 1 A 9 9 THR HA H 9 4.335 4.130 0.205 1
1 56 . 4 1 1 A 9 9 THR C C 9 174.407 173.942 0.465 1
1 57 . 4 1 1 A 9 9 THR CA C 9 61.896 63.852 -1.956 1
1 58 . 4 1 1 A 9 9 THR CB C 9 69.811 68.626 1.185 1
1 59 . 4 1 1 A 9 9 THR N N 9 115.837 121.778 -5.941 1
1 60 . 4 1 1 A 10 10 HIS H H 10 8.477 8.710 -0.233 1
1 61 . 4 1 1 A 10 10 HIS HA H 10 4.788 5.060 -0.272 1
1 64 . 4 1 1 A 10 10 HIS C C 10 174.571 174.272 0.299 1
1 65 . 4 1 1 A 10 10 HIS CA C 10 55.477 54.539 0.938 1
1 66 . 4 1 1 A 10 10 HIS CB C 10 29.291 30.378 -1.087 1
1 67 . 4 1 1 A 10 10 HIS N N 10 120.606 127.256 -6.650 1
1 68 . 4 1 1 A 11 11 SER H H 11 8.306 8.816 -0.510 1
1 69 . 4 1 1 A 11 11 SER HA H 11 4.448 5.017 -0.569 1
1 71 . 4 1 1 A 11 11 SER C C 11 174.512 173.613 0.899 1
1 72 . 4 1 1 A 11 11 SER CA C 11 58.557 56.857 1.700 1
1 73 . 4 1 1 A 11 11 SER CB C 11 63.943 64.281 -0.338 1
1 74 . 4 1 1 A 11 11 SER N N 11 117.043 118.632 -1.589 1
1 75 . 4 1 1 A 12 12 LYS H H 12 8.402 8.806 -0.404 1
1 76 . 4 1 1 A 12 12 LYS HA H 12 4.359 4.484 -0.125 1
1 79 . 4 1 1 A 12 12 LYS C C 12 176.592 175.064 1.528 1
1 80 . 4 1 1 A 12 12 LYS CA C 12 56.634 55.584 1.050 1
1 81 . 4 1 1 A 12 12 LYS CB C 12 33.127 30.893 2.234 1
1 82 . 4 1 1 A 12 12 LYS N N 12 123.023 125.765 -2.742 1
1 83 . 4 1 1 A 13 13 MET H H 13 8.343 8.886 -0.543 1
1 84 . 4 1 1 A 13 13 MET HA H 13 4.530 4.937 -0.407 1
1 88 . 4 1 1 A 13 13 MET C C 13 176.373 174.564 1.809 1
1 89 . 4 1 1 A 13 13 MET CA C 13 55.680 53.882 1.798 1
1 90 . 4 1 1 A 13 13 MET CB C 13 32.925 32.864 0.061 1
1 91 . 4 1 1 A 13 13 MET N N 13 121.294 124.242 -2.948 1
1 92 . 4 1 1 A 14 14 THR H H 14 8.068 8.668 -0.600 1
1 93 . 4 1 1 A 14 14 THR HA H 14 4.333 4.715 -0.382 1
1 97 . 4 1 1 A 14 14 THR C C 14 174.246 174.686 -0.440 1
1 98 . 4 1 1 A 14 14 THR CA C 14 61.770 61.690 0.080 1
1 99 . 4 1 1 A 14 14 THR CB C 14 69.894 70.428 -0.534 1
1 100 . 4 1 1 A 14 14 THR N N 14 115.254 119.756 -4.502 1
1 101 . 4 1 1 A 15 15 ALA H H 15 8.289 8.602 -0.313 1
1 102 . 4 1 1 A 15 15 ALA HA H 15 4.344 4.193 0.151 1
1 106 . 4 1 1 A 15 15 ALA C C 15 178.080 177.201 0.879 1
1 107 . 4 1 1 A 15 15 ALA CA C 15 52.779 52.816 -0.037 1
1 108 . 4 1 1 A 15 15 ALA CB C 15 19.286 19.346 -0.060 1
1 109 . 4 1 1 A 15 15 ALA N N 15 126.372 129.276 -2.904 1
1 110 . 4 1 1 A 16 16 GLY H H 16 8.291 7.720 0.571 1
1 111 . 4 1 1 A 16 16 GLY HA2 H 16 3.913 4.133 -0.220 1
1 112 . 4 1 1 A 16 16 GLY C C 16 173.788 172.232 1.556 1
1 113 . 4 1 1 A 16 16 GLY CA C 16 45.298 45.168 0.130 1
1 114 . 4 1 1 A 16 16 GLY N N 16 108.095 105.423 2.672 1
1 115 . 4 1 1 A 17 17 ALA H H 17 8.000 8.152 -0.152 1
1 116 . 4 1 1 A 17 17 ALA HA H 17 4.292 4.708 -0.416 1
1 120 . 4 1 1 A 17 17 ALA C C 17 177.366 177.188 0.178 1
1 121 . 4 1 1 A 17 17 ALA CA C 17 52.518 51.911 0.607 1
1 122 . 4 1 1 A 17 17 ALA CB C 17 19.577 19.660 -0.083 1
1 123 . 4 1 1 A 17 17 ALA N N 17 123.370 124.405 -1.035 1
1 124 . 4 1 1 A 18 18 TYR H H 18 8.135 8.645 -0.510 1
1 125 . 4 1 1 A 18 18 TYR HA H 18 4.640 4.093 0.547 1
1 129 . 4 1 1 A 18 18 TYR C C 18 176.031 175.427 0.604 1
1 130 . 4 1 1 A 18 18 TYR CA C 18 57.973 62.164 -4.191 1
1 131 . 4 1 1 A 18 18 TYR CB C 18 38.661 38.917 -0.256 1
1 132 . 4 1 1 A 18 18 TYR N N 18 119.212 123.283 -4.071 1
1 133 . 4 1 1 A 19 19 THR H H 19 7.912 8.047 -0.135 1
1 134 . 4 1 1 A 19 19 THR HA H 19 4.267 4.607 -0.340 1
1 139 . 4 1 1 A 19 19 THR C C 19 173.995 174.601 -0.606 1
1 140 . 4 1 1 A 19 19 THR CA C 19 61.848 61.056 0.792 1
1 141 . 4 1 1 A 19 19 THR CB C 19 69.756 69.236 0.520 1
1 142 . 4 1 1 A 19 19 THR N N 19 115.764 112.679 3.085 1
1 143 . 4 1 1 A 20 20 GLU H H 20 8.077 8.867 -0.790 1
1 144 . 4 1 1 A 20 20 GLU HA H 20 4.301 4.480 -0.179 1
1 148 . 4 1 1 A 20 20 GLU C C 20 176.128 177.519 -1.391 1
1 149 . 4 1 1 A 20 20 GLU CA C 20 56.312 56.669 -0.357 1
1 150 . 4 1 1 A 20 20 GLU CB C 20 30.423 30.731 -0.308 1
1 152 . 4 1 1 A 20 20 GLU N N 20 122.553 128.743 -6.190 1
1 153 . 4 1 1 A 21 21 GLY H H 21 7.966 8.000 -0.034 1
1 154 . 4 1 1 A 21 21 GLY HA2 H 21 3.903 4.063 -0.160 1
1 155 . 4 1 1 A 21 21 GLY CA C 21 44.257 44.759 -0.502 1
1 156 . 4 1 1 A 21 21 GLY N N 21 109.544 108.526 1.018 1
1 157 . 4 1 1 A 22 22 PRO HA H 22 4.232 4.309 -0.077 1
1 164 . 4 1 1 A 22 22 PRO CA C 22 61.109 65.175 -4.066 1
1 165 . 4 1 1 A 22 22 PRO CB C 22 30.711 31.881 -1.170 1
1 168 . 4 1 1 A 23 23 PRO HA H 23 4.363 4.689 -0.326 1
1 174 . 4 1 1 A 23 23 PRO C C 23 176.567 175.404 1.163 1
1 175 . 4 1 1 A 23 23 PRO CA C 23 62.733 62.502 0.231 1
1 176 . 4 1 1 A 23 23 PRO CB C 23 32.048 32.948 -0.900 1
1 179 . 4 1 1 A 24 24 GLN H H 24 8.286 8.337 -0.051 1
1 180 . 4 1 1 A 24 24 GLN HA H 24 4.479 4.830 -0.351 1
1 186 . 4 1 1 A 24 24 GLN CA C 24 53.763 51.946 1.817 1
1 187 . 4 1 1 A 24 24 GLN CB C 24 28.800 30.260 -1.460 1
1 189 . 4 1 1 A 24 24 GLN N N 24 121.215 119.121 2.094 1
1 191 . 4 1 1 A 25 25 PRO HA H 25 4.389 4.853 -0.464 1
1 198 . 4 1 1 A 25 25 PRO C C 25 176.707 176.097 0.610 1
1 199 . 4 1 1 A 25 25 PRO CA C 25 62.867 62.469 0.398 1
1 200 . 4 1 1 A 25 25 PRO CB C 25 32.174 31.445 0.729 1
1 203 . 4 1 1 A 26 26 LEU H H 26 8.244 8.687 -0.443 1
1 204 . 4 1 1 A 26 26 LEU HA H 26 4.405 4.741 -0.336 1
1 214 . 4 1 1 A 26 26 LEU C C 26 177.517 175.438 2.079 1
1 215 . 4 1 1 A 26 26 LEU CA C 26 54.643 53.204 1.439 1
1 216 . 4 1 1 A 26 26 LEU CB C 26 43.618 46.224 -2.606 1
1 220 . 4 1 1 A 26 26 LEU N N 26 122.745 125.170 -2.425 1
1 221 . 4 1 1 A 27 27 SER H H 27 8.758 8.692 0.066 1
1 222 . 4 1 1 A 27 27 SER HA H 27 4.474 4.690 -0.216 1
1 225 . 4 1 1 A 27 27 SER C C 27 174.789 175.523 -0.734 1
1 226 . 4 1 1 A 27 27 SER CA C 27 57.461 57.962 -0.501 1
1 227 . 4 1 1 A 27 27 SER CB C 27 65.280 63.924 1.356 1
1 228 . 4 1 1 A 27 27 SER N N 27 117.967 118.272 -0.305 1
1 229 . 4 1 1 A 28 28 ALA H H 28 8.841 8.970 -0.129 1
1 230 . 4 1 1 A 28 28 ALA HA H 28 4.037 4.004 0.033 1
1 234 . 4 1 1 A 28 28 ALA CA C 28 55.346 55.396 -0.050 1
1 235 . 4 1 1 A 28 28 ALA CB C 28 18.347 18.209 0.138 1
1 236 . 4 1 1 A 28 28 ALA N N 28 124.144 128.705 -4.561 1
1 237 . 4 1 1 A 29 29 GLU H H 29 8.565 7.983 0.582 1
1 238 . 4 1 1 A 29 29 GLU HA H 29 4.026 3.991 0.035 1
1 242 . 4 1 1 A 29 29 GLU C C 29 178.877 179.555 -0.678 1
1 243 . 4 1 1 A 29 29 GLU CA C 29 59.430 59.434 -0.004 1
1 244 . 4 1 1 A 29 29 GLU CB C 29 29.244 29.192 0.052 1
1 246 . 4 1 1 A 29 29 GLU N N 29 117.527 117.754 -0.227 1
1 247 . 4 1 1 A 30 30 GLU H H 30 7.823 8.287 -0.464 1
1 248 . 4 1 1 A 30 30 GLU HA H 30 4.054 4.019 0.035 1
1 253 . 4 1 1 A 30 30 GLU C C 30 179.191 179.475 -0.284 1
1 254 . 4 1 1 A 30 30 GLU CA C 30 59.037 59.271 -0.234 1
1 255 . 4 1 1 A 30 30 GLU CB C 30 30.102 29.110 0.992 1
1 257 . 4 1 1 A 30 30 GLU N N 30 120.773 120.689 0.084 1
1 258 . 4 1 1 A 31 31 LYS H H 31 8.246 7.457 0.789 1
1 259 . 4 1 1 A 31 31 LYS HA H 31 3.844 4.072 -0.228 1
1 266 . 4 1 1 A 31 31 LYS C C 31 177.968 179.411 -1.443 1
1 267 . 4 1 1 A 31 31 LYS CA C 31 59.889 59.382 0.507 1
1 268 . 4 1 1 A 31 31 LYS CB C 31 32.350 32.029 0.321 1
1 272 . 4 1 1 A 31 31 LYS N N 31 119.315 119.698 -0.383 1
1 273 . 4 1 1 A 32 32 LYS H H 32 7.698 7.435 0.263 1
1 274 . 4 1 1 A 32 32 LYS HA H 32 4.043 4.113 -0.070 1
1 282 . 4 1 1 A 32 32 LYS C C 32 178.848 179.403 -0.555 1
1 283 . 4 1 1 A 32 32 LYS CA C 32 59.479 59.772 -0.293 1
1 284 . 4 1 1 A 32 32 LYS CB C 32 32.459 31.978 0.481 1
1 288 . 4 1 1 A 32 32 LYS N N 32 118.195 119.780 -1.585 1
1 289 . 4 1 1 A 33 33 GLU H H 33 7.512 7.871 -0.359 1
1 290 . 4 1 1 A 33 33 GLU HA H 33 4.031 4.093 -0.062 1
1 295 . 4 1 1 A 33 33 GLU C C 33 178.989 179.411 -0.422 1
1 296 . 4 1 1 A 33 33 GLU CA C 33 59.157 58.953 0.204 1
1 297 . 4 1 1 A 33 33 GLU CB C 33 29.220 29.596 -0.376 1
1 299 . 4 1 1 A 33 33 GLU N N 33 118.459 120.330 -1.871 1
1 300 . 4 1 1 A 34 34 ILE H H 34 7.912 7.718 0.194 1
1 301 . 4 1 1 A 34 34 ILE HA H 34 3.503 3.857 -0.354 1
1 311 . 4 1 1 A 34 34 ILE C C 34 180.639 177.755 2.884 1
1 312 . 4 1 1 A 34 34 ILE CA C 34 65.305 63.959 1.346 1
1 313 . 4 1 1 A 34 34 ILE CB C 34 38.540 37.379 1.161 1
1 317 . 4 1 1 A 34 34 ILE N N 34 120.176 118.001 2.175 1
1 318 . 4 1 1 A 35 35 ASP H H 35 8.457 8.364 0.093 1
1 319 . 4 1 1 A 35 35 ASP HA H 35 4.145 4.469 -0.324 1
1 322 . 4 1 1 A 35 35 ASP C C 35 178.790 178.455 0.335 1
1 323 . 4 1 1 A 35 35 ASP CA C 35 58.322 57.867 0.455 1
1 324 . 4 1 1 A 35 35 ASP CB C 35 39.538 40.881 -1.343 1
1 325 . 4 1 1 A 35 35 ASP N N 35 123.589 121.538 2.051 1
1 326 . 4 1 1 A 36 36 LYS H H 36 7.573 7.898 -0.325 1
1 327 . 4 1 1 A 36 36 LYS HA H 36 4.187 4.131 0.056 1
1 334 . 4 1 1 A 36 36 LYS C C 36 176.400 178.089 -1.689 1
1 335 . 4 1 1 A 36 36 LYS CA C 36 58.656 59.393 -0.737 1
1 336 . 4 1 1 A 36 36 LYS CB C 36 32.991 32.274 0.717 1
1 340 . 4 1 1 A 36 36 LYS N N 36 117.506 119.424 -1.918 1
1 341 . 4 1 1 A 37 37 ARG H H 37 7.397 7.327 0.070 1
1 342 . 4 1 1 A 37 37 ARG HA H 37 4.658 4.584 0.074 1
1 348 . 4 1 1 A 37 37 ARG C C 37 174.361 175.746 -1.385 1
1 349 . 4 1 1 A 37 37 ARG CA C 37 55.793 55.202 0.591 1
1 350 . 4 1 1 A 37 37 ARG CB C 37 31.260 30.006 1.254 1
1 353 . 4 1 1 A 37 37 ARG N N 37 115.182 116.877 -1.695 1
1 354 . 4 1 1 A 38 38 SER H H 38 7.416 7.636 -0.220 1
1 355 . 4 1 1 A 38 38 SER HA H 38 6.346 5.164 1.182 1
1 358 . 4 1 1 A 38 38 SER C C 38 173.807 173.824 -0.017 1
1 359 . 4 1 1 A 38 38 SER CA C 38 57.574 58.380 -0.806 1
1 360 . 4 1 1 A 38 38 SER CB C 38 67.003 64.546 2.457 1
1 361 . 4 1 1 A 38 38 SER N N 38 112.872 118.182 -5.310 1
1 362 . 4 1 1 A 39 39 VAL H H 39 8.812 9.057 -0.245 1
1 363 . 4 1 1 A 39 39 VAL HA H 39 5.117 5.214 -0.097 1
1 371 . 4 1 1 A 39 39 VAL C C 39 174.519 173.366 1.153 1
1 372 . 4 1 1 A 39 39 VAL CA C 39 59.085 58.943 0.142 1
1 373 . 4 1 1 A 39 39 VAL CB C 39 34.476 35.496 -1.020 1
1 376 . 4 1 1 A 39 39 VAL N N 39 111.961 118.883 -6.922 1
1 377 . 4 1 1 A 40 40 TYR H H 40 9.366 9.475 -0.109 1
1 378 . 4 1 1 A 40 40 TYR HA H 40 5.108 5.536 -0.428 1
1 385 . 4 1 1 A 40 40 TYR C C 40 172.976 173.792 -0.816 1
1 386 . 4 1 1 A 40 40 TYR CA C 40 56.633 55.878 0.755 1
1 387 . 4 1 1 A 40 40 TYR CB C 40 41.058 41.351 -0.293 1
1 390 . 4 1 1 A 40 40 TYR N N 40 123.743 124.924 -1.181 1
1 391 . 4 1 1 A 41 41 VAL H H 41 8.734 9.060 -0.326 1
1 392 . 4 1 1 A 41 41 VAL HA H 41 4.876 4.443 0.433 1
1 400 . 4 1 1 A 41 41 VAL C C 41 174.651 174.880 -0.229 1
1 401 . 4 1 1 A 41 41 VAL CA C 41 59.798 60.663 -0.865 1
1 402 . 4 1 1 A 41 41 VAL CB C 41 33.329 32.351 0.978 1
1 405 . 4 1 1 A 41 41 VAL N N 41 127.436 127.373 0.063 1
1 406 . 4 1 1 A 42 42 GLY H H 42 9.669 8.777 0.892 1
1 407 . 4 1 1 A 42 42 GLY HA2 H 42 3.612 3.962 -0.350 1
1 408 . 4 1 1 A 42 42 GLY HA3 H 42 4.392 4.100 0.292 1
1 409 . 4 1 1 A 42 42 GLY C C 42 173.639 174.238 -0.599 1
1 410 . 4 1 1 A 42 42 GLY CA C 42 44.169 43.362 0.807 1
1 411 . 4 1 1 A 42 42 GLY N N 42 113.263 115.331 -2.068 1
1 412 . 4 1 1 A 43 43 ASN H H 43 8.412 9.055 -0.643 1
1 413 . 4 1 1 A 43 43 ASN HA H 43 4.510 4.948 -0.438 1
1 418 . 4 1 1 A 43 43 ASN C C 43 174.364 175.704 -1.340 1
1 419 . 4 1 1 A 43 43 ASN CA C 43 53.557 54.215 -0.658 1
1 420 . 4 1 1 A 43 43 ASN CB C 43 37.283 38.480 -1.197 1
1 421 . 4 1 1 A 43 43 ASN N N 43 115.451 119.035 -3.584 1
1 423 . 4 1 1 A 44 44 VAL H H 44 7.083 7.270 -0.187 1
1 424 . 4 1 1 A 44 44 VAL HA H 44 3.975 4.179 -0.204 1
1 432 . 4 1 1 A 44 44 VAL C C 44 175.885 175.959 -0.074 1
1 433 . 4 1 1 A 44 44 VAL CA C 44 61.614 62.724 -1.110 1
1 434 . 4 1 1 A 44 44 VAL CB C 44 32.914 31.895 1.019 1
1 437 . 4 1 1 A 44 44 VAL N N 44 115.399 118.221 -2.822 1
1 438 . 4 1 1 A 45 45 ASP H H 45 8.305 7.682 0.623 1
1 439 . 4 1 1 A 45 45 ASP HA H 45 4.467 4.511 -0.044 1
1 442 . 4 1 1 A 45 45 ASP C C 45 177.205 176.555 0.650 1
1 443 . 4 1 1 A 45 45 ASP CA C 45 54.613 55.518 -0.905 1
1 444 . 4 1 1 A 45 45 ASP CB C 45 43.657 40.827 2.830 1
1 445 . 4 1 1 A 45 45 ASP N N 45 124.440 123.278 1.162 1
1 446 . 4 1 1 A 46 46 TYR H H 46 8.715 9.167 -0.452 1
1 447 . 4 1 1 A 46 46 TYR HA H 46 4.483 4.555 -0.072 1
1 454 . 4 1 1 A 46 46 TYR C C 46 175.453 176.161 -0.708 1
1 455 . 4 1 1 A 46 46 TYR CA C 46 59.464 59.555 -0.091 1
1 456 . 4 1 1 A 46 46 TYR CB C 46 38.753 37.243 1.510 1
1 458 . 4 1 1 A 46 46 TYR N N 46 125.588 123.070 2.518 1
1 459 . 4 1 1 A 47 47 GLY H H 47 8.387 8.861 -0.474 1
1 460 . 4 1 1 A 47 47 GLY HA2 H 47 3.561 4.094 -0.533 1
1 461 . 4 1 1 A 47 47 GLY HA3 H 47 4.348 4.096 0.252 1
1 462 . 4 1 1 A 47 47 GLY C C 47 173.578 173.913 -0.335 1
1 463 . 4 1 1 A 47 47 GLY CA C 47 44.965 45.470 -0.505 1
1 464 . 4 1 1 A 47 47 GLY N N 47 106.974 112.758 -5.784 1
1 465 . 4 1 1 A 48 48 SER H H 48 7.417 8.092 -0.675 1
1 466 . 4 1 1 A 48 48 SER HA H 48 4.428 4.640 -0.212 1
1 468 . 4 1 1 A 48 48 SER C C 48 173.220 174.820 -1.600 1
1 469 . 4 1 1 A 48 48 SER CA C 48 59.892 59.690 0.202 1
1 470 . 4 1 1 A 48 48 SER CB C 48 64.519 63.770 0.749 1
1 471 . 4 1 1 A 48 48 SER N N 48 115.423 117.784 -2.361 1
1 472 . 4 1 1 A 49 49 THR H H 49 8.474 8.481 -0.007 1
1 473 . 4 1 1 A 49 49 THR HA H 49 4.660 4.780 -0.120 1
1 478 . 4 1 1 A 49 49 THR C C 49 175.940 175.726 0.214 1
1 479 . 4 1 1 A 49 49 THR CA C 49 58.831 59.992 -1.161 1
1 480 . 4 1 1 A 49 49 THR CB C 49 72.585 71.984 0.601 1
1 482 . 4 1 1 A 49 49 THR N N 49 112.103 117.662 -5.559 1
1 483 . 4 1 1 A 50 50 ALA H H 50 9.723 9.112 0.611 1
1 484 . 4 1 1 A 50 50 ALA HA H 50 3.923 4.014 -0.091 1
1 488 . 4 1 1 A 50 50 ALA C C 50 179.045 179.982 -0.937 1
1 489 . 4 1 1 A 50 50 ALA CA C 50 55.643 55.440 0.203 1
1 490 . 4 1 1 A 50 50 ALA CB C 50 18.259 18.118 0.141 1
1 491 . 4 1 1 A 50 50 ALA N N 50 123.988 124.467 -0.479 1
1 492 . 4 1 1 A 51 51 GLN H H 51 7.730 8.225 -0.495 1
1 493 . 4 1 1 A 51 51 GLN HA H 51 3.940 4.042 -0.102 1
1 500 . 4 1 1 A 51 51 GLN C C 51 178.215 177.802 0.413 1
1 501 . 4 1 1 A 51 51 GLN CA C 51 59.096 58.599 0.497 1
1 502 . 4 1 1 A 51 51 GLN CB C 51 28.508 28.951 -0.443 1
1 504 . 4 1 1 A 51 51 GLN N N 51 116.375 116.669 -0.294 1
1 505 . 4 1 1 A 52 52 ASP H H 52 8.273 8.129 0.144 1
1 506 . 4 1 1 A 52 52 ASP HA H 52 4.587 4.481 0.106 1
1 507 . 4 1 1 A 52 52 ASP C C 52 179.837 179.013 0.824 1
1 508 . 4 1 1 A 52 52 ASP CA C 52 57.556 57.178 0.378 1
1 509 . 4 1 1 A 52 52 ASP CB C 52 41.057 41.098 -0.041 1
1 510 . 4 1 1 A 52 52 ASP N N 52 120.755 120.331 0.424 1
1 511 . 4 1 1 A 53 53 LEU H H 53 7.855 8.294 -0.439 1
1 512 . 4 1 1 A 53 53 LEU HA H 53 3.933 4.157 -0.224 1
1 522 . 4 1 1 A 53 53 LEU C C 53 178.463 179.208 -0.745 1
1 523 . 4 1 1 A 53 53 LEU CA C 53 58.367 58.192 0.175 1
1 524 . 4 1 1 A 53 53 LEU CB C 53 42.646 40.936 1.710 1
1 528 . 4 1 1 A 53 53 LEU N N 53 122.035 119.727 2.308 1
1 529 . 4 1 1 A 54 54 GLU H H 54 8.804 8.860 -0.056 1
1 530 . 4 1 1 A 54 54 GLU HA H 54 3.745 4.050 -0.305 1
1 534 . 4 1 1 A 54 54 GLU C C 54 178.467 178.587 -0.120 1
1 535 . 4 1 1 A 54 54 GLU CA C 54 59.833 59.744 0.089 1
1 536 . 4 1 1 A 54 54 GLU CB C 54 29.238 29.390 -0.152 1
1 538 . 4 1 1 A 54 54 GLU N N 54 120.472 119.889 0.583 1
1 539 . 4 1 1 A 55 55 ALA H H 55 8.098 8.231 -0.133 1
1 540 . 4 1 1 A 55 55 ALA HA H 55 4.249 4.187 0.062 1
1 544 . 4 1 1 A 55 55 ALA C C 55 180.711 179.754 0.957 1
1 545 . 4 1 1 A 55 55 ALA CA C 55 55.077 54.920 0.157 1
1 546 . 4 1 1 A 55 55 ALA CB C 55 18.164 18.156 0.008 1
1 547 . 4 1 1 A 55 55 ALA N N 55 119.302 122.381 -3.079 1
1 548 . 4 1 1 A 56 56 HIS H H 56 7.927 7.876 0.051 1
1 549 . 4 1 1 A 56 56 HIS HA H 56 4.281 4.289 -0.008 1
1 553 . 4 1 1 A 56 56 HIS C C 56 176.342 177.126 -0.784 1
1 554 . 4 1 1 A 56 56 HIS CA C 56 59.362 59.309 0.053 1
1 555 . 4 1 1 A 56 56 HIS CB C 56 31.200 29.709 1.491 1
1 556 . 4 1 1 A 56 56 HIS N N 56 117.016 118.157 -1.141 1
1 557 . 4 1 1 A 57 57 PHE H H 57 7.811 8.163 -0.352 1
1 558 . 4 1 1 A 57 57 PHE HA H 57 4.554 4.482 0.072 1
1 565 . 4 1 1 A 57 57 PHE C C 57 177.301 177.933 -0.632 1
1 566 . 4 1 1 A 57 57 PHE CA C 57 59.480 61.724 -2.244 1
1 567 . 4 1 1 A 57 57 PHE CB C 57 40.432 38.871 1.561 1
1 571 . 4 1 1 A 57 57 PHE N N 57 111.423 115.541 -4.118 1
1 572 . 4 1 1 A 58 58 SER H H 58 8.126 8.333 -0.207 1
1 573 . 4 1 1 A 58 58 SER HA H 58 4.468 4.510 -0.042 1
1 575 . 4 1 1 A 58 58 SER C C 58 176.676 177.305 -0.629 1
1 576 . 4 1 1 A 58 58 SER CA C 58 62.159 61.291 0.868 1
1 577 . 4 1 1 A 58 58 SER N N 58 118.439 116.363 2.076 1
1 578 . 4 1 1 A 59 59 SER H H 59 8.422 7.802 0.620 1
1 579 . 4 1 1 A 59 59 SER HA H 59 4.291 4.297 -0.006 1
1 581 . 4 1 1 A 59 59 SER C C 59 175.955 175.206 0.749 1
1 582 . 4 1 1 A 59 59 SER CA C 59 60.277 61.296 -1.019 1
1 583 . 4 1 1 A 59 59 SER CB C 59 62.444 63.018 -0.574 1
1 584 . 4 1 1 A 59 59 SER N N 59 116.618 116.399 0.219 1
1 585 . 4 1 1 A 60 60 CYS H H 60 8.226 8.066 0.160 1
1 586 . 4 1 1 A 60 60 CYS HA H 60 4.067 4.541 -0.474 1
1 589 . 4 1 1 A 60 60 CYS C C 60 174.682 174.313 0.369 1
1 590 . 4 1 1 A 60 60 CYS CA C 60 60.683 59.587 1.096 1
1 591 . 4 1 1 A 60 60 CYS CB C 60 28.894 28.474 0.420 1
1 592 . 4 1 1 A 60 60 CYS N N 60 118.900 117.579 1.321 1
1 593 . 4 1 1 A 61 61 GLY H H 61 7.414 7.262 0.152 1
1 594 . 4 1 1 A 61 61 GLY HA2 H 61 3.887 4.134 -0.247 1
1 595 . 4 1 1 A 61 61 GLY HA3 H 61 4.489 4.146 0.343 1
1 596 . 4 1 1 A 61 61 GLY C C 61 171.619 172.525 -0.906 1
1 597 . 4 1 1 A 61 61 GLY CA C 61 44.000 45.240 -1.240 1
1 598 . 4 1 1 A 61 61 GLY N N 61 106.320 109.100 -2.780 1
1 599 . 4 1 1 A 62 62 SER H H 62 8.182 8.599 -0.417 1
1 600 . 4 1 1 A 62 62 SER HA H 62 4.420 5.311 -0.891 1
1 603 . 4 1 1 A 62 62 SER C C 62 175.295 174.099 1.196 1
1 604 . 4 1 1 A 62 62 SER CA C 62 59.839 58.184 1.655 1
1 605 . 4 1 1 A 62 62 SER CB C 62 63.617 64.169 -0.552 1
1 606 . 4 1 1 A 62 62 SER N N 62 112.485 117.449 -4.964 1
1 607 . 4 1 1 A 63 63 ILE H H 63 8.857 9.132 -0.275 1
1 608 . 4 1 1 A 63 63 ILE HA H 63 4.007 4.116 -0.109 1
1 618 . 4 1 1 A 63 63 ILE C C 63 175.045 175.635 -0.590 1
1 619 . 4 1 1 A 63 63 ILE CA C 63 61.979 61.316 0.663 1
1 620 . 4 1 1 A 63 63 ILE CB C 63 41.048 37.925 3.123 1
1 624 . 4 1 1 A 63 63 ILE N N 63 127.966 127.382 0.584 1
1 625 . 4 1 1 A 64 64 ASN H H 64 8.897 9.259 -0.362 1
1 626 . 4 1 1 A 64 64 ASN HA H 64 4.667 4.980 -0.313 1
1 631 . 4 1 1 A 64 64 ASN C C 64 174.686 175.388 -0.702 1
1 632 . 4 1 1 A 64 64 ASN CA C 64 53.627 54.927 -1.300 1
1 633 . 4 1 1 A 64 64 ASN CB C 64 40.062 40.522 -0.460 1
1 634 . 4 1 1 A 64 64 ASN N N 64 124.997 125.903 -0.906 1
1 636 . 4 1 1 A 65 65 ARG H H 65 7.419 7.212 0.207 1
1 637 . 4 1 1 A 65 65 ARG HA H 65 5.155 4.926 0.229 1
1 645 . 4 1 1 A 65 65 ARG C C 65 173.788 174.243 -0.455 1
1 646 . 4 1 1 A 65 65 ARG CA C 65 55.703 54.866 0.837 1
1 647 . 4 1 1 A 65 65 ARG CB C 65 35.408 35.040 0.368 1
1 650 . 4 1 1 A 65 65 ARG N N 65 116.737 116.496 0.241 1
1 652 . 4 1 1 A 66 66 ILE H H 66 8.681 8.662 0.019 1
1 653 . 4 1 1 A 66 66 ILE HA H 66 4.574 5.251 -0.677 1
1 663 . 4 1 1 A 66 66 ILE C C 66 173.717 174.276 -0.559 1
1 664 . 4 1 1 A 66 66 ILE CA C 66 61.049 59.118 1.931 1
1 665 . 4 1 1 A 66 66 ILE CB C 66 42.988 42.296 0.692 1
1 669 . 4 1 1 A 66 66 ILE N N 66 123.359 117.152 6.207 1
1 670 . 4 1 1 A 67 67 THR H H 67 8.861 8.629 0.232 1
1 671 . 4 1 1 A 67 67 THR HA H 67 5.378 5.159 0.219 1
1 676 . 4 1 1 A 67 67 THR C C 67 173.526 173.383 0.143 1
1 677 . 4 1 1 A 67 67 THR CA C 67 61.112 61.721 -0.609 1
1 678 . 4 1 1 A 67 67 THR CB C 67 70.857 70.564 0.293 1
1 680 . 4 1 1 A 67 67 THR N N 67 124.375 118.658 5.717 1
1 681 . 4 1 1 A 68 68 ILE H H 68 9.768 9.191 0.577 1
1 682 . 4 1 1 A 68 68 ILE HA H 68 4.333 4.597 -0.264 1
1 692 . 4 1 1 A 68 68 ILE C C 68 173.743 174.964 -1.221 1
1 693 . 4 1 1 A 68 68 ILE CA C 68 61.237 59.862 1.375 1
1 694 . 4 1 1 A 68 68 ILE CB C 68 40.908 40.616 0.292 1
1 698 . 4 1 1 A 68 68 ILE N N 68 127.340 128.699 -1.359 1
1 699 . 4 1 1 A 69 69 LEU H H 69 9.045 9.050 -0.005 1
1 700 . 4 1 1 A 69 69 LEU HA H 69 5.074 5.060 0.014 1
1 710 . 4 1 1 A 69 69 LEU C C 69 175.502 175.277 0.225 1
1 711 . 4 1 1 A 69 69 LEU CA C 69 55.186 52.790 2.396 1
1 712 . 4 1 1 A 69 69 LEU CB C 69 42.702 44.719 -2.017 1
1 716 . 4 1 1 A 69 69 LEU N N 69 128.686 124.808 3.878 1
1 717 . 4 1 1 A 70 70 CYS H H 70 8.767 8.731 0.036 1
1 718 . 4 1 1 A 70 70 CYS HA H 70 5.237 5.881 -0.644 1
1 720 . 4 1 1 A 70 70 CYS C C 70 173.558 173.317 0.241 1
1 721 . 4 1 1 A 70 70 CYS CA C 70 57.609 56.686 0.923 1
1 722 . 4 1 1 A 70 70 CYS CB C 70 29.830 28.719 1.111 1
1 723 . 4 1 1 A 70 70 CYS N N 70 120.856 120.484 0.372 1
1 724 . 4 1 1 A 71 71 ASP H H 71 9.109 9.015 0.094 1
1 725 . 4 1 1 A 71 71 ASP HA H 71 5.193 5.578 -0.385 1
1 728 . 4 1 1 A 71 71 ASP C C 71 175.440 176.567 -1.127 1
1 729 . 4 1 1 A 71 71 ASP CA C 71 53.705 52.438 1.267 1
1 730 . 4 1 1 A 71 71 ASP CB C 71 44.774 42.929 1.845 1
1 731 . 4 1 1 A 71 71 ASP N N 71 124.936 123.995 0.941 1
1 732 . 4 1 1 A 72 72 LYS H H 72 8.262 8.979 -0.717 1
1 733 . 4 1 1 A 72 72 LYS HA H 72 4.553 4.507 0.046 1
1 740 . 4 1 1 A 72 72 LYS C C 72 177.732 177.208 0.524 1
1 741 . 4 1 1 A 72 72 LYS CA C 72 55.608 56.512 -0.904 1
1 742 . 4 1 1 A 72 72 LYS CB C 72 32.469 32.327 0.142 1
1 745 . 4 1 1 A 72 72 LYS N N 72 120.339 122.768 -2.429 1
1 746 . 4 1 1 A 73 73 PHE H H 73 8.663 7.990 0.673 1
1 747 . 4 1 1 A 73 73 PHE HA H 73 4.357 4.508 -0.151 1
1 752 . 4 1 1 A 73 73 PHE C C 73 177.148 176.814 0.334 1
1 753 . 4 1 1 A 73 73 PHE CA C 73 60.214 60.774 -0.560 1
1 754 . 4 1 1 A 73 73 PHE CB C 73 39.157 38.032 1.125 1
1 756 . 4 1 1 A 73 73 PHE N N 73 121.961 119.061 2.900 1
1 757 . 4 1 1 A 74 74 SER H H 74 8.780 7.845 0.935 1
1 758 . 4 1 1 A 74 74 SER HA H 74 4.353 4.669 -0.316 1
1 760 . 4 1 1 A 74 74 SER C C 74 174.810 174.774 0.036 1
1 761 . 4 1 1 A 74 74 SER CA C 74 58.965 58.434 0.531 1
1 762 . 4 1 1 A 74 74 SER CB C 74 63.650 63.712 -0.062 1
1 763 . 4 1 1 A 74 74 SER N N 74 114.021 112.798 1.223 1
1 764 . 4 1 1 A 75 75 GLY H H 75 8.004 8.347 -0.343 1
1 765 . 4 1 1 A 75 75 GLY HA2 H 75 3.635 3.857 -0.222 1
1 766 . 4 1 1 A 75 75 GLY HA3 H 75 4.221 3.895 0.326 1
1 767 . 4 1 1 A 75 75 GLY C C 75 173.254 174.004 -0.750 1
1 768 . 4 1 1 A 75 75 GLY CA C 75 45.162 45.534 -0.372 1
1 769 . 4 1 1 A 75 75 GLY N N 75 108.714 110.113 -1.399 1
1 770 . 4 1 1 A 76 76 HIS H H 76 7.670 7.887 -0.217 1
1 771 . 4 1 1 A 76 76 HIS HA H 76 5.020 4.772 0.248 1
1 775 . 4 1 1 A 76 76 HIS CA C 76 52.522 54.140 -1.618 1
1 776 . 4 1 1 A 76 76 HIS CB C 76 29.410 30.540 -1.130 1
1 777 . 4 1 1 A 76 76 HIS N N 76 118.164 119.258 -1.094 1
1 778 . 4 1 1 A 77 77 PRO HA H 77 4.551 5.045 -0.494 1
1 784 . 4 1 1 A 77 77 PRO C C 77 176.458 176.472 -0.014 1
1 785 . 4 1 1 A 77 77 PRO CA C 77 63.263 62.815 0.448 1
1 786 . 4 1 1 A 77 77 PRO CB C 77 32.077 32.100 -0.023 1
1 789 . 4 1 1 A 78 78 LYS H H 78 8.846 9.105 -0.259 1
1 790 . 4 1 1 A 78 78 LYS HA H 78 4.772 5.531 -0.759 1
1 796 . 4 1 1 A 78 78 LYS CA C 78 55.964 55.038 0.926 1
1 797 . 4 1 1 A 78 78 LYS CB C 78 35.816 34.831 0.985 1
1 799 . 4 1 1 A 78 78 LYS N N 78 124.197 122.676 1.521 1
1 800 . 4 1 1 A 79 79 GLY H H 79 8.352 9.280 -0.928 1
1 801 . 4 1 1 A 79 79 GLY HA2 H 79 3.871 4.114 -0.243 1
1 802 . 4 1 1 A 79 79 GLY HA3 H 79 5.451 4.168 1.283 1
1 803 . 4 1 1 A 79 79 GLY C C 79 173.400 172.255 1.145 1
1 804 . 4 1 1 A 79 79 GLY CA C 79 45.189 44.112 1.077 1
1 805 . 4 1 1 A 79 79 GLY N N 79 109.568 109.218 0.350 1
1 806 . 4 1 1 A 80 80 TYR H H 80 8.856 8.579 0.277 1
1 807 . 4 1 1 A 80 80 TYR HA H 80 4.940 5.285 -0.345 1
1 814 . 4 1 1 A 80 80 TYR C C 80 171.720 172.453 -0.733 1
1 815 . 4 1 1 A 80 80 TYR CA C 80 56.267 56.272 -0.005 1
1 816 . 4 1 1 A 80 80 TYR CB C 80 40.003 41.733 -1.730 1
1 818 . 4 1 1 A 80 80 TYR N N 80 120.052 118.365 1.687 1
1 819 . 4 1 1 A 81 81 ALA H H 81 9.215 8.612 0.603 1
1 820 . 4 1 1 A 81 81 ALA HA H 81 5.386 5.164 0.222 1
1 824 . 4 1 1 A 81 81 ALA C C 81 175.357 175.132 0.225 1
1 825 . 4 1 1 A 81 81 ALA CA C 81 50.089 50.183 -0.094 1
1 826 . 4 1 1 A 81 81 ALA CB C 81 24.030 23.488 0.542 1
1 827 . 4 1 1 A 81 81 ALA N N 81 120.138 122.025 -1.887 1
1 828 . 4 1 1 A 82 82 TYR H H 82 8.974 8.771 0.203 1
1 829 . 4 1 1 A 82 82 TYR HA H 82 5.885 5.623 0.262 1
1 836 . 4 1 1 A 82 82 TYR C C 82 176.232 174.448 1.784 1
1 837 . 4 1 1 A 82 82 TYR CA C 82 55.626 56.871 -1.245 1
1 838 . 4 1 1 A 82 82 TYR CB C 82 41.536 41.145 0.391 1
1 839 . 4 1 1 A 82 82 TYR N N 82 114.621 118.184 -3.563 1
1 840 . 4 1 1 A 83 83 ILE H H 83 8.644 8.617 0.027 1
1 841 . 4 1 1 A 83 83 ILE HA H 83 4.275 4.651 -0.376 1
1 851 . 4 1 1 A 83 83 ILE C C 83 173.516 174.604 -1.088 1
1 852 . 4 1 1 A 83 83 ILE CA C 83 60.345 59.677 0.668 1
1 853 . 4 1 1 A 83 83 ILE CB C 83 39.535 39.155 0.380 1
1 857 . 4 1 1 A 83 83 ILE N N 83 122.447 123.867 -1.420 1
1 858 . 4 1 1 A 84 84 GLU H H 84 8.612 9.041 -0.429 1
1 859 . 4 1 1 A 84 84 GLU HA H 84 4.801 5.103 -0.302 1
1 862 . 4 1 1 A 84 84 GLU C C 84 176.111 175.519 0.592 1
1 863 . 4 1 1 A 84 84 GLU CA C 84 54.496 54.688 -0.192 1
1 864 . 4 1 1 A 84 84 GLU CB C 84 31.499 31.471 0.028 1
1 865 . 4 1 1 A 84 84 GLU N N 84 127.346 126.544 0.802 1
1 866 . 4 1 1 A 85 85 PHE H H 85 9.087 9.218 -0.131 1
1 867 . 4 1 1 A 85 85 PHE HA H 85 4.817 5.168 -0.351 1
1 875 . 4 1 1 A 85 85 PHE C C 85 174.422 176.738 -2.316 1
1 876 . 4 1 1 A 85 85 PHE CA C 85 59.072 57.643 1.429 1
1 877 . 4 1 1 A 85 85 PHE CB C 85 40.765 41.462 -0.697 1
1 878 . 4 1 1 A 85 85 PHE N N 85 128.049 123.387 4.662 1
1 879 . 4 1 1 A 86 86 ALA H H 86 8.192 9.348 -1.156 1
1 880 . 4 1 1 A 86 86 ALA HA H 86 4.239 4.285 -0.046 1
1 884 . 4 1 1 A 86 86 ALA C C 86 178.143 177.690 0.453 1
1 885 . 4 1 1 A 86 86 ALA CA C 86 54.524 54.244 0.280 1
1 886 . 4 1 1 A 86 86 ALA CB C 86 19.510 19.665 -0.155 1
1 887 . 4 1 1 A 86 86 ALA N N 86 120.669 122.844 -2.175 1
1 888 . 4 1 1 A 87 87 GLU H H 87 8.455 7.833 0.622 1
1 889 . 4 1 1 A 87 87 GLU HA H 87 4.765 4.759 0.006 1
1 893 . 4 1 1 A 87 87 GLU C C 87 176.472 176.721 -0.249 1
1 894 . 4 1 1 A 87 87 GLU CA C 87 54.353 55.103 -0.750 1
1 895 . 4 1 1 A 87 87 GLU CB C 87 32.624 31.307 1.317 1
1 897 . 4 1 1 A 87 87 GLU N N 87 114.204 114.707 -0.503 1
1 898 . 4 1 1 A 88 88 ARG H H 88 8.917 8.999 -0.082 1
1 899 . 4 1 1 A 88 88 ARG HA H 88 3.961 3.909 0.052 1
1 905 . 4 1 1 A 88 88 ARG C C 88 178.900 177.837 1.063 1
1 906 . 4 1 1 A 88 88 ARG CA C 88 59.548 59.800 -0.252 1
1 907 . 4 1 1 A 88 88 ARG CB C 88 30.073 29.992 0.081 1
1 910 . 4 1 1 A 88 88 ARG N N 88 121.592 122.358 -0.766 1
1 911 . 4 1 1 A 89 89 ASN H H 89 8.845 8.063 0.782 1
1 912 . 4 1 1 A 89 89 ASN HA H 89 4.497 4.460 0.037 1
1 916 . 4 1 1 A 89 89 ASN C C 89 177.179 178.221 -1.042 1
1 917 . 4 1 1 A 89 89 ASN CA C 89 55.861 55.546 0.315 1
1 918 . 4 1 1 A 89 89 ASN CB C 89 37.330 38.375 -1.045 1
1 919 . 4 1 1 A 89 89 ASN N N 89 116.555 118.064 -1.509 1
1 921 . 4 1 1 A 90 90 SER H H 90 7.513 8.003 -0.490 1
1 922 . 4 1 1 A 90 90 SER HA H 90 4.006 4.014 -0.008 1
1 925 . 4 1 1 A 90 90 SER C C 90 174.511 175.742 -1.231 1
1 926 . 4 1 1 A 90 90 SER CA C 90 61.395 62.213 -0.818 1
1 927 . 4 1 1 A 90 90 SER CB C 90 63.424 62.547 0.877 1
1 928 . 4 1 1 A 90 90 SER N N 90 116.007 118.436 -2.429 1
1 929 . 4 1 1 A 91 91 VAL H H 91 7.653 7.519 0.134 1
1 930 . 4 1 1 A 91 91 VAL HA H 91 3.201 3.571 -0.370 1
1 938 . 4 1 1 A 91 91 VAL C C 91 176.991 177.815 -0.824 1
1 939 . 4 1 1 A 91 91 VAL CA C 91 66.851 65.362 1.489 1
1 940 . 4 1 1 A 91 91 VAL CB C 91 31.599 31.570 0.029 1
1 943 . 4 1 1 A 91 91 VAL N N 91 119.934 119.436 0.498 1
1 944 . 4 1 1 A 92 92 ASP H H 92 7.192 7.862 -0.670 1
1 945 . 4 1 1 A 92 92 ASP HA H 92 4.321 4.307 0.014 1
1 947 . 4 1 1 A 92 92 ASP C C 92 178.585 178.581 0.004 1
1 948 . 4 1 1 A 92 92 ASP CA C 92 57.401 57.178 0.223 1
1 949 . 4 1 1 A 92 92 ASP CB C 92 40.078 39.991 0.087 1
1 950 . 4 1 1 A 92 92 ASP N N 92 117.084 122.390 -5.306 1
1 951 . 4 1 1 A 93 93 ALA H H 93 6.946 7.817 -0.871 1
1 952 . 4 1 1 A 93 93 ALA HA H 93 4.186 4.188 -0.002 1
1 956 . 4 1 1 A 93 93 ALA C C 93 179.272 179.837 -0.565 1
1 957 . 4 1 1 A 93 93 ALA CA C 93 54.445 54.745 -0.300 1
1 958 . 4 1 1 A 93 93 ALA CB C 93 18.164 18.210 -0.046 1
1 959 . 4 1 1 A 93 93 ALA N N 93 121.045 122.616 -1.571 1
1 960 . 4 1 1 A 94 94 ALA H H 94 8.033 8.001 0.032 1
1 961 . 4 1 1 A 94 94 ALA HA H 94 4.545 4.194 0.351 1
1 965 . 4 1 1 A 94 94 ALA C C 94 180.529 179.723 0.806 1
1 966 . 4 1 1 A 94 94 ALA CA C 94 55.518 55.181 0.337 1
1 967 . 4 1 1 A 94 94 ALA CB C 94 19.455 18.514 0.941 1
1 968 . 4 1 1 A 94 94 ALA N N 94 122.191 120.969 1.222 1
1 969 . 4 1 1 A 95 95 VAL H H 95 8.565 8.394 0.171 1
1 970 . 4 1 1 A 95 95 VAL HA H 95 3.741 3.880 -0.139 1
1 978 . 4 1 1 A 95 95 VAL C C 95 178.767 177.946 0.821 1
1 979 . 4 1 1 A 95 95 VAL CA C 95 65.820 64.811 1.009 1
1 980 . 4 1 1 A 95 95 VAL CB C 95 31.501 31.451 0.050 1
1 983 . 4 1 1 A 95 95 VAL N N 95 117.405 116.690 0.715 1
1 984 . 4 1 1 A 96 96 ALA H H 96 7.354 8.015 -0.661 1
1 985 . 4 1 1 A 96 96 ALA HA H 96 4.403 4.215 0.188 1
1 989 . 4 1 1 A 96 96 ALA C C 96 178.242 178.292 -0.050 1
1 990 . 4 1 1 A 96 96 ALA CA C 96 53.916 54.071 -0.155 1
1 991 . 4 1 1 A 96 96 ALA CB C 96 17.841 18.281 -0.440 1
1 992 . 4 1 1 A 96 96 ALA N N 96 122.769 123.790 -1.021 1
1 993 . 4 1 1 A 97 97 MET H H 97 7.980 8.106 -0.126 1
1 994 . 4 1 1 A 97 97 MET HA H 97 4.471 4.842 -0.371 1
1 1002 . 4 1 1 A 97 97 MET C C 97 175.959 176.481 -0.522 1
1 1003 . 4 1 1 A 97 97 MET CA C 97 55.150 54.671 0.479 1
1 1004 . 4 1 1 A 97 97 MET CB C 97 31.663 32.567 -0.904 1
1 1007 . 4 1 1 A 97 97 MET N N 97 115.573 116.348 -0.775 1
1 1008 . 4 1 1 A 98 98 ASP H H 98 7.852 8.390 -0.538 1
1 1009 . 4 1 1 A 98 98 ASP HA H 98 4.422 4.458 -0.036 1
1 1012 . 4 1 1 A 98 98 ASP C C 98 175.976 176.604 -0.628 1
1 1013 . 4 1 1 A 98 98 ASP CA C 98 57.476 57.208 0.268 1
1 1014 . 4 1 1 A 98 98 ASP CB C 98 42.008 40.525 1.483 1
1 1015 . 4 1 1 A 98 98 ASP N N 98 121.576 120.329 1.247 1
1 1016 . 4 1 1 A 99 99 GLU H H 99 8.643 7.880 0.763 1
1 1017 . 4 1 1 A 99 99 GLU HA H 99 4.154 4.746 -0.592 1
1 1022 . 4 1 1 A 99 99 GLU C C 99 176.369 175.035 1.334 1
1 1023 . 4 1 1 A 99 99 GLU CA C 99 58.403 55.347 3.056 1
1 1024 . 4 1 1 A 99 99 GLU CB C 99 26.214 30.795 -4.581 1
1 1026 . 4 1 1 A 99 99 GLU N N 99 119.455 118.819 0.636 1
1 1027 . 4 1 1 A 100 100 THR H H 100 7.416 8.449 -1.033 1
1 1028 . 4 1 1 A 100 100 THR HA H 100 4.498 5.149 -0.651 1
1 1033 . 4 1 1 A 100 100 THR C C 100 172.876 171.958 0.918 1
1 1034 . 4 1 1 A 100 100 THR CA C 100 61.065 60.165 0.900 1
1 1035 . 4 1 1 A 100 100 THR CB C 100 72.140 72.791 -0.651 1
1 1037 . 4 1 1 A 100 100 THR N N 100 107.670 117.907 -10.237 1
1 1038 . 4 1 1 A 101 101 VAL H H 101 8.252 8.941 -0.689 1
1 1039 . 4 1 1 A 101 101 VAL HA H 101 4.638 5.036 -0.398 1
1 1047 . 4 1 1 A 101 101 VAL C C 101 176.138 174.097 2.041 1
1 1048 . 4 1 1 A 101 101 VAL CA C 101 62.299 60.122 2.177 1
1 1049 . 4 1 1 A 101 101 VAL CB C 101 32.215 33.966 -1.751 1
1 1052 . 4 1 1 A 101 101 VAL N N 101 118.227 121.510 -3.283 1
1 1053 . 4 1 1 A 102 102 PHE H H 102 9.300 9.677 -0.377 1
1 1054 . 4 1 1 A 102 102 PHE HA H 102 4.671 4.729 -0.058 1
1 1061 . 4 1 1 A 102 102 PHE C C 102 174.216 175.618 -1.402 1
1 1062 . 4 1 1 A 102 102 PHE CA C 102 56.205 57.404 -1.199 1
1 1063 . 4 1 1 A 102 102 PHE CB C 102 41.707 41.002 0.705 1
1 1064 . 4 1 1 A 102 102 PHE N N 102 128.863 130.390 -1.527 1
1 1065 . 4 1 1 A 103 103 ARG H H 103 9.167 8.304 0.863 1
1 1066 . 4 1 1 A 103 103 ARG HA H 103 3.389 3.873 -0.484 1
1 1075 . 4 1 1 A 103 103 ARG C C 103 176.014 176.363 -0.349 1
1 1076 . 4 1 1 A 103 103 ARG CA C 103 57.215 56.823 0.392 1
1 1077 . 4 1 1 A 103 103 ARG CB C 103 27.382 27.756 -0.374 1
1 1080 . 4 1 1 A 103 103 ARG N N 103 128.268 125.750 2.518 1
1 1082 . 4 1 1 A 104 104 GLY H H 104 8.005 8.299 -0.294 1
1 1083 . 4 1 1 A 104 104 GLY HA2 H 104 4.006 3.963 0.043 1
1 1084 . 4 1 1 A 104 104 GLY HA3 H 104 3.455 3.963 -0.508 1
1 1085 . 4 1 1 A 104 104 GLY C C 104 173.766 173.617 0.149 1
1 1086 . 4 1 1 A 104 104 GLY CA C 104 45.598 45.044 0.554 1
1 1087 . 4 1 1 A 104 104 GLY N N 104 101.324 109.068 -7.744 1
1 1088 . 4 1 1 A 105 105 ARG H H 105 7.681 8.104 -0.423 1
1 1089 . 4 1 1 A 105 105 ARG HA H 105 4.735 4.751 -0.016 1
1 1097 . 4 1 1 A 105 105 ARG C C 105 174.543 175.350 -0.807 1
1 1098 . 4 1 1 A 105 105 ARG CA C 105 54.071 54.417 -0.346 1
1 1099 . 4 1 1 A 105 105 ARG CB C 105 33.159 32.789 0.370 1
1 1102 . 4 1 1 A 105 105 ARG N N 105 119.837 120.368 -0.531 1
1 1104 . 4 1 1 A 106 106 THR H H 106 8.604 8.721 -0.117 1
1 1105 . 4 1 1 A 106 106 THR HA H 106 4.593 4.839 -0.246 1
1 1110 . 4 1 1 A 106 106 THR C C 106 175.643 174.350 1.293 1
1 1111 . 4 1 1 A 106 106 THR CA C 106 62.821 63.278 -0.457 1
1 1112 . 4 1 1 A 106 106 THR CB C 106 68.784 69.076 -0.292 1
1 1114 . 4 1 1 A 106 106 THR N N 106 118.251 116.581 1.670 1
1 1115 . 4 1 1 A 107 107 ILE H H 107 8.756 9.220 -0.464 1
1 1116 . 4 1 1 A 107 107 ILE HA H 107 4.884 5.017 -0.133 1
1 1126 . 4 1 1 A 107 107 ILE C C 107 174.877 174.352 0.525 1
1 1127 . 4 1 1 A 107 107 ILE CA C 107 60.834 59.112 1.722 1
1 1128 . 4 1 1 A 107 107 ILE CB C 107 40.644 40.309 0.335 1
1 1132 . 4 1 1 A 107 107 ILE N N 107 123.422 123.708 -0.286 1
1 1133 . 4 1 1 A 108 108 LYS H H 108 7.412 8.298 -0.886 1
1 1134 . 4 1 1 A 108 108 LYS HA H 108 5.524 5.910 -0.386 1
1 1141 . 4 1 1 A 108 108 LYS C C 108 175.839 174.901 0.938 1
1 1142 . 4 1 1 A 108 108 LYS CA C 108 52.172 54.855 -2.683 1
1 1143 . 4 1 1 A 108 108 LYS CB C 108 33.947 35.959 -2.012 1
1 1147 . 4 1 1 A 108 108 LYS N N 108 121.402 121.762 -0.360 1
1 1148 . 4 1 1 A 109 109 VAL H H 109 9.467 8.498 0.969 1
1 1149 . 4 1 1 A 109 109 VAL HA H 109 5.410 5.644 -0.234 1
1 1157 . 4 1 1 A 109 109 VAL C C 109 174.514 174.852 -0.338 1
1 1158 . 4 1 1 A 109 109 VAL CA C 109 61.258 60.196 1.062 1
1 1159 . 4 1 1 A 109 109 VAL CB C 109 34.289 34.841 -0.552 1
1 1162 . 4 1 1 A 109 109 VAL N N 109 125.530 120.731 4.799 1
1 1163 . 4 1 1 A 110 110 LEU H H 110 9.081 8.829 0.252 1
1 1164 . 4 1 1 A 110 110 LEU HA H 110 5.109 5.053 0.056 1
1 1173 . 4 1 1 A 110 110 LEU CA C 110 51.660 51.226 0.434 1
1 1174 . 4 1 1 A 110 110 LEU CB C 110 46.037 44.898 1.139 1
1 1178 . 4 1 1 A 110 110 LEU N N 110 125.323 123.028 2.295 1
1 1179 . 4 1 1 A 111 111 PRO HA H 111 4.539 4.954 -0.415 1
1 1186 . 4 1 1 A 111 111 PRO C C 111 176.222 176.447 -0.225 1
1 1187 . 4 1 1 A 111 111 PRO CA C 111 63.390 62.427 0.963 1
1 1188 . 4 1 1 A 111 111 PRO CB C 111 31.697 32.425 -0.728 1
1 1191 . 4 1 1 A 112 112 LYS H H 112 8.121 8.595 -0.474 1
1 1192 . 4 1 1 A 112 112 LYS HA H 112 4.113 4.605 -0.492 1
1 1199 . 4 1 1 A 112 112 LYS C C 112 175.830 175.540 0.290 1
1 1200 . 4 1 1 A 112 112 LYS CA C 112 58.405 55.909 2.496 1
1 1201 . 4 1 1 A 112 112 LYS CB C 112 33.746 33.341 0.405 1
1 1204 . 4 1 1 A 112 112 LYS N N 112 124.317 121.631 2.686 1
1 1205 . 4 1 1 A 113 113 ARG H H 113 8.228 8.797 -0.569 1
1 1206 . 4 1 1 A 113 113 ARG HA H 113 4.451 4.733 -0.282 1
1 1211 . 4 1 1 A 113 113 ARG C C 113 175.758 176.165 -0.407 1
1 1212 . 4 1 1 A 113 113 ARG CA C 113 55.468 55.365 0.103 1
1 1213 . 4 1 1 A 113 113 ARG CB C 113 31.550 31.835 -0.285 1
1 1215 . 4 1 1 A 113 113 ARG N N 113 121.228 128.845 -7.617 1
1 1216 . 4 1 1 A 114 114 THR H H 114 8.138 8.527 -0.389 1
1 1217 . 4 1 1 A 114 114 THR HA H 114 4.264 4.869 -0.605 1
1 1222 . 4 1 1 A 114 114 THR C C 114 174.043 174.161 -0.118 1
1 1223 . 4 1 1 A 114 114 THR CA C 114 62.229 62.428 -0.199 1
1 1224 . 4 1 1 A 114 114 THR CB C 114 69.682 69.958 -0.276 1
1 1226 . 4 1 1 A 114 114 THR N N 114 116.384 120.106 -3.722 1
1 1227 . 4 1 1 A 115 115 ASN H H 115 8.406 8.717 -0.311 1
1 1228 . 4 1 1 A 115 115 ASN HA H 115 4.682 5.042 -0.360 1
1 1233 . 4 1 1 A 115 115 ASN C C 115 174.513 172.922 1.591 1
1 1234 . 4 1 1 A 115 115 ASN CA C 115 53.242 52.698 0.544 1
1 1235 . 4 1 1 A 115 115 ASN CB C 115 38.888 42.267 -3.379 1
1 1236 . 4 1 1 A 115 115 ASN N N 115 120.871 122.743 -1.872 1
1 1238 . 4 1 1 A 116 116 MET H H 116 8.138 8.730 -0.592 1
1 1239 . 4 1 1 A 116 116 MET CA C 116 53.400 52.032 1.368 1
1 1240 . 4 1 1 A 116 116 MET CB C 116 32.829 34.040 -1.211 1
1 1241 . 4 1 1 A 116 116 MET N N 116 121.611 125.095 -3.484 1
1 1242 . 4 1 1 A 117 117 PRO HA H 117 4.428 4.473 -0.045 1
1 1245 . 4 1 1 A 117 117 PRO C C 117 175.935 176.781 -0.846 1
1 1246 . 4 1 1 A 117 117 PRO CA C 117 63.489 63.684 -0.195 1
1 1247 . 4 1 1 A 117 117 PRO CB C 117 32.105 32.167 -0.062 1
1 1248 . 4 1 1 A 118 118 GLY H H 118 8.411 7.834 0.577 1
1 1249 . 4 1 1 A 118 118 GLY HA2 H 118 3.927 4.053 -0.126 1
1 1250 . 4 1 1 A 118 118 GLY HA3 H 118 4.389 4.053 0.336 1
1 1251 . 4 1 1 A 118 118 GLY C C 118 174.117 173.356 0.761 1
1 1252 . 4 1 1 A 118 118 GLY CA C 118 45.470 44.910 0.560 1
1 1253 . 4 1 1 A 118 118 GLY N N 118 109.241 108.624 0.617 1
1 1254 . 4 1 1 A 119 119 ILE H H 119 7.825 8.349 -0.524 1
1 1255 . 4 1 1 A 119 119 ILE HA H 119 4.234 4.671 -0.437 1
1 1265 . 4 1 1 A 119 119 ILE C C 119 176.261 176.421 -0.160 1
1 1266 . 4 1 1 A 119 119 ILE CA C 119 61.029 59.980 1.049 1
1 1267 . 4 1 1 A 119 119 ILE CB C 119 38.878 38.980 -0.102 1
1 1270 . 4 1 1 A 119 119 ILE N N 119 119.504 123.525 -4.021 1
1 1271 . 4 1 1 A 120 120 SER H H 120 8.397 8.700 -0.303 1
1 1272 . 4 1 1 A 120 120 SER HA H 120 4.534 4.674 -0.140 1
1 1274 . 4 1 1 A 120 120 SER C C 120 174.692 173.609 1.083 1
1 1275 . 4 1 1 A 120 120 SER CA C 120 58.150 57.377 0.773 1
1 1276 . 4 1 1 A 120 120 SER CB C 120 63.997 64.229 -0.232 1
1 1277 . 4 1 1 A 120 120 SER N N 120 119.359 122.409 -3.050 1
1 1278 . 4 1 1 A 121 121 SER H H 121 8.371 8.166 0.205 1
1 1279 . 4 1 1 A 121 121 SER HA H 121 4.360 4.294 0.066 1
1 1280 . 4 1 1 A 121 121 SER C C 121 174.809 174.845 -0.036 1
1 1281 . 4 1 1 A 121 121 SER CA C 121 58.656 59.038 -0.382 1
1 1282 . 4 1 1 A 121 121 SER CB C 121 63.795 61.911 1.884 1
1 1283 . 4 1 1 A 121 121 SER N N 121 118.036 114.371 3.665 1
1 1284 . 4 1 1 A 122 122 THR H H 122 8.100 8.320 -0.220 1
1 1285 . 4 1 1 A 122 122 THR C C 122 174.254 174.462 -0.208 1
1 1286 . 4 1 1 A 122 122 THR CA C 122 61.829 64.394 -2.565 1
1 1287 . 4 1 1 A 122 122 THR CB C 122 69.537 68.931 0.606 1
1 1288 . 4 1 1 A 122 122 THR N N 122 114.163 118.694 -4.531 1
1 1289 . 4 1 1 A 123 123 ASP H H 123 8.197 7.631 0.566 1
1 1290 . 4 1 1 A 123 123 ASP HA H 123 4.641 5.005 -0.364 1
1 1292 . 4 1 1 A 123 123 ASP C C 123 174.975 173.851 1.124 1
1 1293 . 4 1 1 A 123 123 ASP CA C 123 54.542 53.278 1.264 1
1 1294 . 4 1 1 A 123 123 ASP CB C 123 41.144 43.780 -2.636 1
1 1295 . 4 1 1 A 123 123 ASP N N 123 122.772 117.818 4.954 1
1 8 . 5 1 1 A 2 2 ILE H H 2 8.420 8.703 -0.283 1
1 9 . 5 1 1 A 2 2 ILE HA H 2 4.219 4.846 -0.627 1
1 11 . 5 1 1 A 2 2 ILE C C 2 175.424 174.285 1.139 1
1 12 . 5 1 1 A 2 2 ILE CA C 2 61.022 59.319 1.703 1
1 13 . 5 1 1 A 2 2 ILE CB C 2 38.918 39.414 -0.496 1
1 14 . 5 1 1 A 2 2 ILE N N 2 120.314 120.309 0.005 1
1 15 . 5 1 1 A 3 3 ALA H H 3 8.374 8.881 -0.507 1
1 16 . 5 1 1 A 3 3 ALA CA C 3 50.509 48.570 1.939 1
1 17 . 5 1 1 A 3 3 ALA CB C 3 18.608 21.521 -2.913 1
1 18 . 5 1 1 A 3 3 ALA N N 3 129.874 125.950 3.924 1
1 19 . 5 1 1 A 4 4 PRO HA H 4 4.446 4.764 -0.318 1
1 22 . 5 1 1 A 4 4 PRO C C 4 176.949 175.903 1.046 1
1 23 . 5 1 1 A 4 4 PRO CA C 4 63.456 62.451 1.005 1
1 24 . 5 1 1 A 4 4 PRO CB C 4 32.203 31.222 0.981 1
1 25 . 5 1 1 A 5 5 CYS H H 5 8.347 8.711 -0.364 1
1 26 . 5 1 1 A 5 5 CYS HA H 5 4.492 4.836 -0.344 1
1 28 . 5 1 1 A 5 5 CYS C C 5 174.805 174.702 0.103 1
1 29 . 5 1 1 A 5 5 CYS CA C 5 58.495 58.132 0.363 1
1 30 . 5 1 1 A 5 5 CYS CB C 5 27.957 28.311 -0.354 1
1 31 . 5 1 1 A 5 5 CYS N N 5 118.477 124.158 -5.681 1
1 32 . 5 1 1 A 6 6 MET H H 6 8.421 8.569 -0.148 1
1 33 . 5 1 1 A 6 6 MET HA H 6 4.534 4.411 0.123 1
1 35 . 5 1 1 A 6 6 MET C C 6 176.132 175.909 0.223 1
1 36 . 5 1 1 A 6 6 MET CA C 6 55.629 58.000 -2.371 1
1 37 . 5 1 1 A 6 6 MET CB C 6 33.048 33.135 -0.087 1
1 38 . 5 1 1 A 6 6 MET N N 6 122.952 124.014 -1.062 1
1 39 . 5 1 1 A 7 7 GLN H H 7 8.313 7.898 0.415 1
1 40 . 5 1 1 A 7 7 GLN HA H 7 4.435 3.874 0.561 1
1 42 . 5 1 1 A 7 7 GLN C C 7 176.128 174.669 1.459 1
1 43 . 5 1 1 A 7 7 GLN CA C 7 56.109 56.713 -0.604 1
1 44 . 5 1 1 A 7 7 GLN CB C 7 29.591 26.808 2.783 1
1 45 . 5 1 1 A 7 7 GLN N N 7 121.379 115.853 5.526 1
1 46 . 5 1 1 A 8 8 THR H H 8 8.195 7.753 0.442 1
1 47 . 5 1 1 A 8 8 THR HA H 8 4.406 4.641 -0.235 1
1 49 . 5 1 1 A 8 8 THR C C 8 174.739 173.091 1.648 1
1 50 . 5 1 1 A 8 8 THR CA C 8 61.856 61.692 0.164 1
1 51 . 5 1 1 A 8 8 THR CB C 8 69.854 69.809 0.045 1
1 52 . 5 1 1 A 8 8 THR N N 8 115.096 113.862 1.234 1
1 53 . 5 1 1 A 9 9 THR H H 9 8.081 8.431 -0.350 1
1 54 . 5 1 1 A 9 9 THR HA H 9 4.335 5.019 -0.684 1
1 56 . 5 1 1 A 9 9 THR C C 9 174.407 172.888 1.519 1
1 57 . 5 1 1 A 9 9 THR CA C 9 61.896 60.452 1.444 1
1 58 . 5 1 1 A 9 9 THR CB C 9 69.811 71.604 -1.793 1
1 59 . 5 1 1 A 9 9 THR N N 9 115.837 114.932 0.905 1
1 60 . 5 1 1 A 10 10 HIS H H 10 8.477 8.708 -0.231 1
1 61 . 5 1 1 A 10 10 HIS HA H 10 4.788 5.009 -0.221 1
1 64 . 5 1 1 A 10 10 HIS C C 10 174.571 174.711 -0.140 1
1 65 . 5 1 1 A 10 10 HIS CA C 10 55.477 54.942 0.535 1
1 66 . 5 1 1 A 10 10 HIS CB C 10 29.291 33.221 -3.930 1
1 67 . 5 1 1 A 10 10 HIS N N 10 120.606 119.114 1.492 1
1 68 . 5 1 1 A 11 11 SER H H 11 8.306 8.565 -0.259 1
1 69 . 5 1 1 A 11 11 SER HA H 11 4.448 4.547 -0.099 1
1 71 . 5 1 1 A 11 11 SER C C 11 174.512 174.150 0.362 1
1 72 . 5 1 1 A 11 11 SER CA C 11 58.557 59.189 -0.632 1
1 73 . 5 1 1 A 11 11 SER CB C 11 63.943 64.601 -0.658 1
1 74 . 5 1 1 A 11 11 SER N N 11 117.043 116.279 0.764 1
1 75 . 5 1 1 A 12 12 LYS H H 12 8.402 8.179 0.223 1
1 76 . 5 1 1 A 12 12 LYS HA H 12 4.359 4.209 0.150 1
1 79 . 5 1 1 A 12 12 LYS C C 12 176.592 175.655 0.937 1
1 80 . 5 1 1 A 12 12 LYS CA C 12 56.634 58.260 -1.626 1
1 81 . 5 1 1 A 12 12 LYS CB C 12 33.127 31.006 2.121 1
1 82 . 5 1 1 A 12 12 LYS N N 12 123.023 118.236 4.787 1
1 83 . 5 1 1 A 13 13 MET H H 13 8.343 8.177 0.166 1
1 84 . 5 1 1 A 13 13 MET HA H 13 4.530 5.202 -0.672 1
1 88 . 5 1 1 A 13 13 MET C C 13 176.373 175.170 1.203 1
1 89 . 5 1 1 A 13 13 MET CA C 13 55.680 53.505 2.175 1
1 90 . 5 1 1 A 13 13 MET CB C 13 32.925 34.526 -1.601 1
1 91 . 5 1 1 A 13 13 MET N N 13 121.294 118.519 2.775 1
1 92 . 5 1 1 A 14 14 THR H H 14 8.068 8.574 -0.506 1
1 93 . 5 1 1 A 14 14 THR HA H 14 4.333 5.076 -0.743 1
1 97 . 5 1 1 A 14 14 THR C C 14 174.246 173.049 1.197 1
1 98 . 5 1 1 A 14 14 THR CA C 14 61.770 60.907 0.863 1
1 99 . 5 1 1 A 14 14 THR CB C 14 69.894 71.912 -2.018 1
1 100 . 5 1 1 A 14 14 THR N N 14 115.254 114.041 1.213 1
1 101 . 5 1 1 A 15 15 ALA H H 15 8.289 8.882 -0.593 1
1 102 . 5 1 1 A 15 15 ALA HA H 15 4.344 5.024 -0.680 1
1 106 . 5 1 1 A 15 15 ALA C C 15 178.080 176.885 1.195 1
1 107 . 5 1 1 A 15 15 ALA CA C 15 52.779 51.240 1.539 1
1 108 . 5 1 1 A 15 15 ALA CB C 15 19.286 21.114 -1.828 1
1 109 . 5 1 1 A 15 15 ALA N N 15 126.372 128.224 -1.852 1
1 110 . 5 1 1 A 16 16 GLY H H 16 8.291 8.443 -0.152 1
1 111 . 5 1 1 A 16 16 GLY HA2 H 16 3.913 4.148 -0.235 1
1 112 . 5 1 1 A 16 16 GLY C C 16 173.788 173.522 0.266 1
1 113 . 5 1 1 A 16 16 GLY CA C 16 45.298 45.807 -0.509 1
1 114 . 5 1 1 A 16 16 GLY N N 16 108.095 106.452 1.643 1
1 115 . 5 1 1 A 17 17 ALA H H 17 8.000 7.786 0.214 1
1 116 . 5 1 1 A 17 17 ALA HA H 17 4.292 4.553 -0.261 1
1 120 . 5 1 1 A 17 17 ALA C C 17 177.366 177.042 0.324 1
1 121 . 5 1 1 A 17 17 ALA CA C 17 52.518 50.959 1.559 1
1 122 . 5 1 1 A 17 17 ALA CB C 17 19.577 20.235 -0.658 1
1 123 . 5 1 1 A 17 17 ALA N N 17 123.370 123.517 -0.147 1
1 124 . 5 1 1 A 18 18 TYR H H 18 8.135 8.781 -0.646 1
1 125 . 5 1 1 A 18 18 TYR HA H 18 4.640 4.489 0.151 1
1 129 . 5 1 1 A 18 18 TYR C C 18 176.031 174.870 1.161 1
1 130 . 5 1 1 A 18 18 TYR CA C 18 57.973 60.208 -2.235 1
1 131 . 5 1 1 A 18 18 TYR CB C 18 38.661 39.815 -1.154 1
1 132 . 5 1 1 A 18 18 TYR N N 18 119.212 124.903 -5.691 1
1 133 . 5 1 1 A 19 19 THR H H 19 7.912 7.773 0.139 1
1 134 . 5 1 1 A 19 19 THR HA H 19 4.267 4.656 -0.389 1
1 139 . 5 1 1 A 19 19 THR C C 19 173.995 173.613 0.382 1
1 140 . 5 1 1 A 19 19 THR CA C 19 61.848 59.539 2.309 1
1 141 . 5 1 1 A 19 19 THR CB C 19 69.756 70.832 -1.076 1
1 142 . 5 1 1 A 19 19 THR N N 19 115.764 112.493 3.271 1
1 143 . 5 1 1 A 20 20 GLU H H 20 8.077 8.858 -0.781 1
1 144 . 5 1 1 A 20 20 GLU HA H 20 4.301 4.583 -0.282 1
1 148 . 5 1 1 A 20 20 GLU C C 20 176.128 177.198 -1.070 1
1 149 . 5 1 1 A 20 20 GLU CA C 20 56.312 56.290 0.022 1
1 150 . 5 1 1 A 20 20 GLU CB C 20 30.423 31.117 -0.694 1
1 152 . 5 1 1 A 20 20 GLU N N 20 122.553 122.543 0.010 1
1 153 . 5 1 1 A 21 21 GLY H H 21 7.966 8.021 -0.055 1
1 154 . 5 1 1 A 21 21 GLY HA2 H 21 3.903 4.011 -0.108 1
1 155 . 5 1 1 A 21 21 GLY CA C 21 44.257 44.843 -0.586 1
1 156 . 5 1 1 A 21 21 GLY N N 21 109.544 109.222 0.322 1
1 157 . 5 1 1 A 22 22 PRO HA H 22 4.232 4.386 -0.154 1
1 164 . 5 1 1 A 22 22 PRO CA C 22 61.109 65.038 -3.929 1
1 165 . 5 1 1 A 22 22 PRO CB C 22 30.711 31.757 -1.046 1
1 168 . 5 1 1 A 23 23 PRO HA H 23 4.363 4.464 -0.101 1
1 174 . 5 1 1 A 23 23 PRO C C 23 176.567 177.149 -0.582 1
1 175 . 5 1 1 A 23 23 PRO CA C 23 62.733 63.235 -0.502 1
1 176 . 5 1 1 A 23 23 PRO CB C 23 32.048 31.845 0.203 1
1 179 . 5 1 1 A 24 24 GLN H H 24 8.286 8.373 -0.087 1
1 180 . 5 1 1 A 24 24 GLN HA H 24 4.479 4.402 0.077 1
1 186 . 5 1 1 A 24 24 GLN CA C 24 53.763 54.389 -0.626 1
1 187 . 5 1 1 A 24 24 GLN CB C 24 28.800 28.389 0.411 1
1 189 . 5 1 1 A 24 24 GLN N N 24 121.215 121.779 -0.564 1
1 191 . 5 1 1 A 25 25 PRO HA H 25 4.389 4.647 -0.258 1
1 198 . 5 1 1 A 25 25 PRO C C 25 176.707 176.947 -0.240 1
1 199 . 5 1 1 A 25 25 PRO CA C 25 62.867 62.702 0.165 1
1 200 . 5 1 1 A 25 25 PRO CB C 25 32.174 32.014 0.160 1
1 203 . 5 1 1 A 26 26 LEU H H 26 8.244 8.277 -0.033 1
1 204 . 5 1 1 A 26 26 LEU HA H 26 4.405 4.485 -0.080 1
1 214 . 5 1 1 A 26 26 LEU C C 26 177.517 176.586 0.931 1
1 215 . 5 1 1 A 26 26 LEU CA C 26 54.643 53.494 1.149 1
1 216 . 5 1 1 A 26 26 LEU CB C 26 43.618 43.774 -0.156 1
1 220 . 5 1 1 A 26 26 LEU N N 26 122.745 119.414 3.331 1
1 221 . 5 1 1 A 27 27 SER H H 27 8.758 8.381 0.377 1
1 222 . 5 1 1 A 27 27 SER HA H 27 4.474 4.561 -0.087 1
1 225 . 5 1 1 A 27 27 SER C C 27 174.789 175.621 -0.832 1
1 226 . 5 1 1 A 27 27 SER CA C 27 57.461 58.550 -1.089 1
1 227 . 5 1 1 A 27 27 SER CB C 27 65.280 63.528 1.752 1
1 228 . 5 1 1 A 27 27 SER N N 27 117.967 116.240 1.727 1
1 229 . 5 1 1 A 28 28 ALA H H 28 8.841 8.941 -0.100 1
1 230 . 5 1 1 A 28 28 ALA HA H 28 4.037 4.003 0.034 1
1 234 . 5 1 1 A 28 28 ALA CA C 28 55.346 55.526 -0.180 1
1 235 . 5 1 1 A 28 28 ALA CB C 28 18.347 18.091 0.256 1
1 236 . 5 1 1 A 28 28 ALA N N 28 124.144 128.889 -4.745 1
1 237 . 5 1 1 A 29 29 GLU H H 29 8.565 8.121 0.444 1
1 238 . 5 1 1 A 29 29 GLU HA H 29 4.026 4.034 -0.008 1
1 242 . 5 1 1 A 29 29 GLU C C 29 178.877 179.457 -0.580 1
1 243 . 5 1 1 A 29 29 GLU CA C 29 59.430 59.414 0.016 1
1 244 . 5 1 1 A 29 29 GLU CB C 29 29.244 29.117 0.127 1
1 246 . 5 1 1 A 29 29 GLU N N 29 117.527 117.682 -0.155 1
1 247 . 5 1 1 A 30 30 GLU H H 30 7.823 8.257 -0.434 1
1 248 . 5 1 1 A 30 30 GLU HA H 30 4.054 4.101 -0.047 1
1 253 . 5 1 1 A 30 30 GLU C C 30 179.191 178.806 0.385 1
1 254 . 5 1 1 A 30 30 GLU CA C 30 59.037 58.923 0.114 1
1 255 . 5 1 1 A 30 30 GLU CB C 30 30.102 29.461 0.641 1
1 257 . 5 1 1 A 30 30 GLU N N 30 120.773 121.640 -0.867 1
1 258 . 5 1 1 A 31 31 LYS H H 31 8.246 7.848 0.398 1
1 259 . 5 1 1 A 31 31 LYS HA H 31 3.844 4.106 -0.262 1
1 266 . 5 1 1 A 31 31 LYS C C 31 177.968 179.758 -1.790 1
1 267 . 5 1 1 A 31 31 LYS CA C 31 59.889 59.489 0.400 1
1 268 . 5 1 1 A 31 31 LYS CB C 31 32.350 32.356 -0.006 1
1 272 . 5 1 1 A 31 31 LYS N N 31 119.315 119.756 -0.441 1
1 273 . 5 1 1 A 32 32 LYS H H 32 7.698 8.036 -0.338 1
1 274 . 5 1 1 A 32 32 LYS HA H 32 4.043 3.964 0.079 1
1 282 . 5 1 1 A 32 32 LYS C C 32 178.848 179.765 -0.917 1
1 283 . 5 1 1 A 32 32 LYS CA C 32 59.479 59.826 -0.347 1
1 284 . 5 1 1 A 32 32 LYS CB C 32 32.459 32.056 0.403 1
1 288 . 5 1 1 A 32 32 LYS N N 32 118.195 119.456 -1.261 1
1 289 . 5 1 1 A 33 33 GLU H H 33 7.512 7.579 -0.067 1
1 290 . 5 1 1 A 33 33 GLU HA H 33 4.031 4.101 -0.070 1
1 295 . 5 1 1 A 33 33 GLU C C 33 178.989 179.617 -0.628 1
1 296 . 5 1 1 A 33 33 GLU CA C 33 59.157 58.798 0.359 1
1 297 . 5 1 1 A 33 33 GLU CB C 33 29.220 29.959 -0.739 1
1 299 . 5 1 1 A 33 33 GLU N N 33 118.459 120.082 -1.623 1
1 300 . 5 1 1 A 34 34 ILE H H 34 7.912 7.807 0.105 1
1 301 . 5 1 1 A 34 34 ILE HA H 34 3.503 3.843 -0.340 1
1 311 . 5 1 1 A 34 34 ILE C C 34 180.639 177.797 2.842 1
1 312 . 5 1 1 A 34 34 ILE CA C 34 65.305 64.121 1.184 1
1 313 . 5 1 1 A 34 34 ILE CB C 34 38.540 37.471 1.069 1
1 317 . 5 1 1 A 34 34 ILE N N 34 120.176 118.008 2.168 1
1 318 . 5 1 1 A 35 35 ASP H H 35 8.457 8.733 -0.276 1
1 319 . 5 1 1 A 35 35 ASP HA H 35 4.145 4.438 -0.293 1
1 322 . 5 1 1 A 35 35 ASP C C 35 178.790 178.386 0.404 1
1 323 . 5 1 1 A 35 35 ASP CA C 35 58.322 57.523 0.799 1
1 324 . 5 1 1 A 35 35 ASP CB C 35 39.538 40.042 -0.504 1
1 325 . 5 1 1 A 35 35 ASP N N 35 123.589 122.029 1.560 1
1 326 . 5 1 1 A 36 36 LYS H H 36 7.573 7.659 -0.086 1
1 327 . 5 1 1 A 36 36 LYS HA H 36 4.187 4.298 -0.111 1
1 334 . 5 1 1 A 36 36 LYS C C 36 176.400 177.981 -1.581 1
1 335 . 5 1 1 A 36 36 LYS CA C 36 58.656 58.444 0.212 1
1 336 . 5 1 1 A 36 36 LYS CB C 36 32.991 32.156 0.835 1
1 340 . 5 1 1 A 36 36 LYS N N 36 117.506 118.887 -1.381 1
1 341 . 5 1 1 A 37 37 ARG H H 37 7.397 7.546 -0.149 1
1 342 . 5 1 1 A 37 37 ARG HA H 37 4.658 4.496 0.162 1
1 348 . 5 1 1 A 37 37 ARG C C 37 174.361 175.568 -1.207 1
1 349 . 5 1 1 A 37 37 ARG CA C 37 55.793 55.728 0.065 1
1 350 . 5 1 1 A 37 37 ARG CB C 37 31.260 31.104 0.156 1
1 353 . 5 1 1 A 37 37 ARG N N 37 115.182 117.274 -2.092 1
1 354 . 5 1 1 A 38 38 SER H H 38 7.416 7.573 -0.157 1
1 355 . 5 1 1 A 38 38 SER HA H 38 6.346 5.127 1.219 1
1 358 . 5 1 1 A 38 38 SER C C 38 173.807 172.969 0.838 1
1 359 . 5 1 1 A 38 38 SER CA C 38 57.574 56.039 1.535 1
1 360 . 5 1 1 A 38 38 SER CB C 38 67.003 66.269 0.734 1
1 361 . 5 1 1 A 38 38 SER N N 38 112.872 116.063 -3.191 1
1 362 . 5 1 1 A 39 39 VAL H H 39 8.812 8.782 0.030 1
1 363 . 5 1 1 A 39 39 VAL HA H 39 5.117 5.081 0.036 1
1 371 . 5 1 1 A 39 39 VAL C C 39 174.519 172.973 1.546 1
1 372 . 5 1 1 A 39 39 VAL CA C 39 59.085 58.986 0.099 1
1 373 . 5 1 1 A 39 39 VAL CB C 39 34.476 35.557 -1.081 1
1 376 . 5 1 1 A 39 39 VAL N N 39 111.961 117.979 -6.018 1
1 377 . 5 1 1 A 40 40 TYR H H 40 9.366 9.199 0.167 1
1 378 . 5 1 1 A 40 40 TYR HA H 40 5.108 4.443 0.665 1
1 385 . 5 1 1 A 40 40 TYR C C 40 172.976 173.541 -0.565 1
1 386 . 5 1 1 A 40 40 TYR CA C 40 56.633 55.009 1.624 1
1 387 . 5 1 1 A 40 40 TYR CB C 40 41.058 40.797 0.261 1
1 390 . 5 1 1 A 40 40 TYR N N 40 123.743 124.423 -0.680 1
1 391 . 5 1 1 A 41 41 VAL H H 41 8.734 9.125 -0.391 1
1 392 . 5 1 1 A 41 41 VAL HA H 41 4.876 4.730 0.146 1
1 400 . 5 1 1 A 41 41 VAL C C 41 174.651 174.983 -0.332 1
1 401 . 5 1 1 A 41 41 VAL CA C 41 59.798 60.757 -0.959 1
1 402 . 5 1 1 A 41 41 VAL CB C 41 33.329 32.555 0.774 1
1 405 . 5 1 1 A 41 41 VAL N N 41 127.436 127.772 -0.336 1
1 406 . 5 1 1 A 42 42 GLY H H 42 9.669 8.836 0.833 1
1 407 . 5 1 1 A 42 42 GLY HA2 H 42 3.612 3.986 -0.374 1
1 408 . 5 1 1 A 42 42 GLY HA3 H 42 4.392 4.087 0.305 1
1 409 . 5 1 1 A 42 42 GLY C C 42 173.639 174.436 -0.797 1
1 410 . 5 1 1 A 42 42 GLY CA C 42 44.169 43.568 0.601 1
1 411 . 5 1 1 A 42 42 GLY N N 42 113.263 115.431 -2.168 1
1 412 . 5 1 1 A 43 43 ASN H H 43 8.412 9.137 -0.725 1
1 413 . 5 1 1 A 43 43 ASN HA H 43 4.510 4.445 0.065 1
1 418 . 5 1 1 A 43 43 ASN C C 43 174.364 175.276 -0.912 1
1 419 . 5 1 1 A 43 43 ASN CA C 43 53.557 54.390 -0.833 1
1 420 . 5 1 1 A 43 43 ASN CB C 43 37.283 38.330 -1.047 1
1 421 . 5 1 1 A 43 43 ASN N N 43 115.451 119.328 -3.877 1
1 423 . 5 1 1 A 44 44 VAL H H 44 7.083 7.909 -0.826 1
1 424 . 5 1 1 A 44 44 VAL HA H 44 3.975 4.223 -0.248 1
1 432 . 5 1 1 A 44 44 VAL C C 44 175.885 174.766 1.119 1
1 433 . 5 1 1 A 44 44 VAL CA C 44 61.614 62.514 -0.900 1
1 434 . 5 1 1 A 44 44 VAL CB C 44 32.914 32.041 0.873 1
1 437 . 5 1 1 A 44 44 VAL N N 44 115.399 119.884 -4.485 1
1 438 . 5 1 1 A 45 45 ASP H H 45 8.305 8.759 -0.454 1
1 439 . 5 1 1 A 45 45 ASP HA H 45 4.467 5.183 -0.716 1
1 442 . 5 1 1 A 45 45 ASP C C 45 177.205 175.758 1.447 1
1 443 . 5 1 1 A 45 45 ASP CA C 45 54.613 52.524 2.089 1
1 444 . 5 1 1 A 45 45 ASP CB C 45 43.657 41.633 2.024 1
1 445 . 5 1 1 A 45 45 ASP N N 45 124.440 129.134 -4.694 1
1 446 . 5 1 1 A 46 46 TYR H H 46 8.715 8.753 -0.038 1
1 447 . 5 1 1 A 46 46 TYR HA H 46 4.483 4.364 0.119 1
1 454 . 5 1 1 A 46 46 TYR C C 46 175.453 176.582 -1.129 1
1 455 . 5 1 1 A 46 46 TYR CA C 46 59.464 58.633 0.831 1
1 456 . 5 1 1 A 46 46 TYR CB C 46 38.753 38.251 0.502 1
1 458 . 5 1 1 A 46 46 TYR N N 46 125.588 121.354 4.234 1
1 459 . 5 1 1 A 47 47 GLY H H 47 8.387 8.067 0.320 1
1 460 . 5 1 1 A 47 47 GLY HA2 H 47 3.561 4.058 -0.497 1
1 461 . 5 1 1 A 47 47 GLY HA3 H 47 4.348 4.065 0.283 1
1 462 . 5 1 1 A 47 47 GLY C C 47 173.578 174.737 -1.159 1
1 463 . 5 1 1 A 47 47 GLY CA C 47 44.965 45.493 -0.528 1
1 464 . 5 1 1 A 47 47 GLY N N 47 106.974 113.479 -6.505 1
1 465 . 5 1 1 A 48 48 SER H H 48 7.417 7.813 -0.396 1
1 466 . 5 1 1 A 48 48 SER HA H 48 4.428 4.603 -0.175 1
1 468 . 5 1 1 A 48 48 SER C C 48 173.220 175.058 -1.838 1
1 469 . 5 1 1 A 48 48 SER CA C 48 59.892 59.348 0.544 1
1 470 . 5 1 1 A 48 48 SER CB C 48 64.519 64.167 0.352 1
1 471 . 5 1 1 A 48 48 SER N N 48 115.423 117.274 -1.851 1
1 472 . 5 1 1 A 49 49 THR H H 49 8.474 8.544 -0.070 1
1 473 . 5 1 1 A 49 49 THR HA H 49 4.660 4.834 -0.174 1
1 478 . 5 1 1 A 49 49 THR C C 49 175.940 175.848 0.092 1
1 479 . 5 1 1 A 49 49 THR CA C 49 58.831 59.818 -0.987 1
1 480 . 5 1 1 A 49 49 THR CB C 49 72.585 72.505 0.080 1
1 482 . 5 1 1 A 49 49 THR N N 49 112.103 116.055 -3.952 1
1 483 . 5 1 1 A 50 50 ALA H H 50 9.723 9.072 0.651 1
1 484 . 5 1 1 A 50 50 ALA HA H 50 3.923 4.034 -0.111 1
1 488 . 5 1 1 A 50 50 ALA C C 50 179.045 179.750 -0.705 1
1 489 . 5 1 1 A 50 50 ALA CA C 50 55.643 55.502 0.141 1
1 490 . 5 1 1 A 50 50 ALA CB C 50 18.259 18.197 0.062 1
1 491 . 5 1 1 A 50 50 ALA N N 50 123.988 124.098 -0.110 1
1 492 . 5 1 1 A 51 51 GLN H H 51 7.730 8.301 -0.571 1
1 493 . 5 1 1 A 51 51 GLN HA H 51 3.940 4.112 -0.172 1
1 500 . 5 1 1 A 51 51 GLN C C 51 178.215 178.495 -0.280 1
1 501 . 5 1 1 A 51 51 GLN CA C 51 59.096 58.840 0.256 1
1 502 . 5 1 1 A 51 51 GLN CB C 51 28.508 28.495 0.013 1
1 504 . 5 1 1 A 51 51 GLN N N 51 116.375 117.618 -1.243 1
1 505 . 5 1 1 A 52 52 ASP H H 52 8.273 8.310 -0.037 1
1 506 . 5 1 1 A 52 52 ASP HA H 52 4.587 4.495 0.092 1
1 507 . 5 1 1 A 52 52 ASP C C 52 179.837 178.784 1.053 1
1 508 . 5 1 1 A 52 52 ASP CA C 52 57.556 57.407 0.149 1
1 509 . 5 1 1 A 52 52 ASP CB C 52 41.057 41.637 -0.580 1
1 510 . 5 1 1 A 52 52 ASP N N 52 120.755 119.170 1.585 1
1 511 . 5 1 1 A 53 53 LEU H H 53 7.855 8.129 -0.274 1
1 512 . 5 1 1 A 53 53 LEU HA H 53 3.933 4.081 -0.148 1
1 522 . 5 1 1 A 53 53 LEU C C 53 178.463 179.255 -0.792 1
1 523 . 5 1 1 A 53 53 LEU CA C 53 58.367 58.092 0.275 1
1 524 . 5 1 1 A 53 53 LEU CB C 53 42.646 41.380 1.266 1
1 528 . 5 1 1 A 53 53 LEU N N 53 122.035 119.799 2.236 1
1 529 . 5 1 1 A 54 54 GLU H H 54 8.804 8.960 -0.156 1
1 530 . 5 1 1 A 54 54 GLU HA H 54 3.745 4.009 -0.264 1
1 534 . 5 1 1 A 54 54 GLU C C 54 178.467 178.559 -0.092 1
1 535 . 5 1 1 A 54 54 GLU CA C 54 59.833 59.751 0.082 1
1 536 . 5 1 1 A 54 54 GLU CB C 54 29.238 29.490 -0.252 1
1 538 . 5 1 1 A 54 54 GLU N N 54 120.472 119.919 0.553 1
1 539 . 5 1 1 A 55 55 ALA H H 55 8.098 8.373 -0.275 1
1 540 . 5 1 1 A 55 55 ALA HA H 55 4.249 4.213 0.036 1
1 544 . 5 1 1 A 55 55 ALA C C 55 180.711 180.041 0.670 1
1 545 . 5 1 1 A 55 55 ALA CA C 55 55.077 55.031 0.046 1
1 546 . 5 1 1 A 55 55 ALA CB C 55 18.164 18.486 -0.322 1
1 547 . 5 1 1 A 55 55 ALA N N 55 119.302 122.404 -3.102 1
1 548 . 5 1 1 A 56 56 HIS H H 56 7.927 7.659 0.268 1
1 549 . 5 1 1 A 56 56 HIS HA H 56 4.281 4.304 -0.023 1
1 553 . 5 1 1 A 56 56 HIS C C 56 176.342 177.115 -0.773 1
1 554 . 5 1 1 A 56 56 HIS CA C 56 59.362 59.209 0.153 1
1 555 . 5 1 1 A 56 56 HIS CB C 56 31.200 29.707 1.493 1
1 556 . 5 1 1 A 56 56 HIS N N 56 117.016 118.176 -1.160 1
1 557 . 5 1 1 A 57 57 PHE H H 57 7.811 8.144 -0.333 1
1 558 . 5 1 1 A 57 57 PHE HA H 57 4.554 4.385 0.169 1
1 565 . 5 1 1 A 57 57 PHE C C 57 177.301 177.941 -0.640 1
1 566 . 5 1 1 A 57 57 PHE CA C 57 59.480 61.704 -2.224 1
1 567 . 5 1 1 A 57 57 PHE CB C 57 40.432 38.890 1.542 1
1 571 . 5 1 1 A 57 57 PHE N N 57 111.423 115.465 -4.042 1
1 572 . 5 1 1 A 58 58 SER H H 58 8.126 8.415 -0.289 1
1 573 . 5 1 1 A 58 58 SER HA H 58 4.468 4.626 -0.158 1
1 575 . 5 1 1 A 58 58 SER C C 58 176.676 177.165 -0.489 1
1 576 . 5 1 1 A 58 58 SER CA C 58 62.159 61.157 1.002 1
1 577 . 5 1 1 A 58 58 SER N N 58 118.439 116.348 2.091 1
1 578 . 5 1 1 A 59 59 SER H H 59 8.422 7.697 0.725 1
1 579 . 5 1 1 A 59 59 SER HA H 59 4.291 4.282 0.009 1
1 581 . 5 1 1 A 59 59 SER C C 59 175.955 175.083 0.872 1
1 582 . 5 1 1 A 59 59 SER CA C 59 60.277 61.352 -1.075 1
1 583 . 5 1 1 A 59 59 SER CB C 59 62.444 63.008 -0.564 1
1 584 . 5 1 1 A 59 59 SER N N 59 116.618 116.660 -0.042 1
1 585 . 5 1 1 A 60 60 CYS H H 60 8.226 7.929 0.297 1
1 586 . 5 1 1 A 60 60 CYS HA H 60 4.067 4.480 -0.413 1
1 589 . 5 1 1 A 60 60 CYS C C 60 174.682 174.297 0.385 1
1 590 . 5 1 1 A 60 60 CYS CA C 60 60.683 59.641 1.042 1
1 591 . 5 1 1 A 60 60 CYS CB C 60 28.894 28.421 0.473 1
1 592 . 5 1 1 A 60 60 CYS N N 60 118.900 117.424 1.476 1
1 593 . 5 1 1 A 61 61 GLY H H 61 7.414 7.305 0.109 1
1 594 . 5 1 1 A 61 61 GLY HA2 H 61 3.887 4.031 -0.144 1
1 595 . 5 1 1 A 61 61 GLY HA3 H 61 4.489 4.105 0.384 1
1 596 . 5 1 1 A 61 61 GLY C C 61 171.619 171.754 -0.135 1
1 597 . 5 1 1 A 61 61 GLY CA C 61 44.000 44.721 -0.721 1
1 598 . 5 1 1 A 61 61 GLY N N 61 106.320 108.947 -2.627 1
1 599 . 5 1 1 A 62 62 SER H H 62 8.182 8.370 -0.188 1
1 600 . 5 1 1 A 62 62 SER HA H 62 4.420 5.087 -0.667 1
1 603 . 5 1 1 A 62 62 SER C C 62 175.295 173.729 1.566 1
1 604 . 5 1 1 A 62 62 SER CA C 62 59.839 57.026 2.813 1
1 605 . 5 1 1 A 62 62 SER CB C 62 63.617 64.411 -0.794 1
1 606 . 5 1 1 A 62 62 SER N N 62 112.485 115.432 -2.947 1
1 607 . 5 1 1 A 63 63 ILE H H 63 8.857 9.075 -0.218 1
1 608 . 5 1 1 A 63 63 ILE HA H 63 4.007 4.069 -0.062 1
1 618 . 5 1 1 A 63 63 ILE C C 63 175.045 176.052 -1.007 1
1 619 . 5 1 1 A 63 63 ILE CA C 63 61.979 61.641 0.338 1
1 620 . 5 1 1 A 63 63 ILE CB C 63 41.048 38.037 3.011 1
1 624 . 5 1 1 A 63 63 ILE N N 63 127.966 128.361 -0.395 1
1 625 . 5 1 1 A 64 64 ASN H H 64 8.897 9.594 -0.697 1
1 626 . 5 1 1 A 64 64 ASN HA H 64 4.667 4.820 -0.153 1
1 631 . 5 1 1 A 64 64 ASN C C 64 174.686 174.484 0.202 1
1 632 . 5 1 1 A 64 64 ASN CA C 64 53.627 54.619 -0.992 1
1 633 . 5 1 1 A 64 64 ASN CB C 64 40.062 40.327 -0.265 1
1 634 . 5 1 1 A 64 64 ASN N N 64 124.997 125.826 -0.829 1
1 636 . 5 1 1 A 65 65 ARG H H 65 7.419 7.869 -0.450 1
1 637 . 5 1 1 A 65 65 ARG HA H 65 5.155 4.915 0.240 1
1 645 . 5 1 1 A 65 65 ARG C C 65 173.788 174.232 -0.444 1
1 646 . 5 1 1 A 65 65 ARG CA C 65 55.703 54.853 0.850 1
1 647 . 5 1 1 A 65 65 ARG CB C 65 35.408 35.162 0.246 1
1 650 . 5 1 1 A 65 65 ARG N N 65 116.737 115.951 0.786 1
1 652 . 5 1 1 A 66 66 ILE H H 66 8.681 8.659 0.022 1
1 653 . 5 1 1 A 66 66 ILE HA H 66 4.574 5.395 -0.821 1
1 663 . 5 1 1 A 66 66 ILE C C 66 173.717 174.671 -0.954 1
1 664 . 5 1 1 A 66 66 ILE CA C 66 61.049 58.988 2.061 1
1 665 . 5 1 1 A 66 66 ILE CB C 66 42.988 42.363 0.625 1
1 669 . 5 1 1 A 66 66 ILE N N 66 123.359 117.172 6.187 1
1 670 . 5 1 1 A 67 67 THR H H 67 8.861 9.266 -0.405 1
1 671 . 5 1 1 A 67 67 THR HA H 67 5.378 5.352 0.026 1
1 676 . 5 1 1 A 67 67 THR C C 67 173.526 173.680 -0.154 1
1 677 . 5 1 1 A 67 67 THR CA C 67 61.112 60.026 1.086 1
1 678 . 5 1 1 A 67 67 THR CB C 67 70.857 71.354 -0.497 1
1 680 . 5 1 1 A 67 67 THR N N 67 124.375 116.185 8.190 1
1 681 . 5 1 1 A 68 68 ILE H H 68 9.768 8.839 0.929 1
1 682 . 5 1 1 A 68 68 ILE HA H 68 4.333 4.658 -0.325 1
1 692 . 5 1 1 A 68 68 ILE C C 68 173.743 174.703 -0.960 1
1 693 . 5 1 1 A 68 68 ILE CA C 68 61.237 60.335 0.902 1
1 694 . 5 1 1 A 68 68 ILE CB C 68 40.908 40.138 0.770 1
1 698 . 5 1 1 A 68 68 ILE N N 68 127.340 124.797 2.543 1
1 699 . 5 1 1 A 69 69 LEU H H 69 9.045 9.310 -0.265 1
1 700 . 5 1 1 A 69 69 LEU HA H 69 5.074 5.101 -0.027 1
1 710 . 5 1 1 A 69 69 LEU C C 69 175.502 175.053 0.449 1
1 711 . 5 1 1 A 69 69 LEU CA C 69 55.186 53.080 2.106 1
1 712 . 5 1 1 A 69 69 LEU CB C 69 42.702 44.343 -1.641 1
1 716 . 5 1 1 A 69 69 LEU N N 69 128.686 125.265 3.421 1
1 717 . 5 1 1 A 70 70 CYS H H 70 8.767 8.953 -0.186 1
1 718 . 5 1 1 A 70 70 CYS HA H 70 5.237 5.704 -0.467 1
1 720 . 5 1 1 A 70 70 CYS C C 70 173.558 173.234 0.324 1
1 721 . 5 1 1 A 70 70 CYS CA C 70 57.609 56.441 1.168 1
1 722 . 5 1 1 A 70 70 CYS CB C 70 29.830 30.556 -0.726 1
1 723 . 5 1 1 A 70 70 CYS N N 70 120.856 121.761 -0.905 1
1 724 . 5 1 1 A 71 71 ASP H H 71 9.109 9.098 0.011 1
1 725 . 5 1 1 A 71 71 ASP HA H 71 5.193 5.618 -0.425 1
1 728 . 5 1 1 A 71 71 ASP C C 71 175.440 175.421 0.019 1
1 729 . 5 1 1 A 71 71 ASP CA C 71 53.705 52.281 1.424 1
1 730 . 5 1 1 A 71 71 ASP CB C 71 44.774 43.973 0.801 1
1 731 . 5 1 1 A 71 71 ASP N N 71 124.936 123.085 1.851 1
1 732 . 5 1 1 A 72 72 LYS H H 72 8.262 8.593 -0.331 1
1 733 . 5 1 1 A 72 72 LYS HA H 72 4.553 4.485 0.068 1
1 740 . 5 1 1 A 72 72 LYS C C 72 177.732 177.583 0.149 1
1 741 . 5 1 1 A 72 72 LYS CA C 72 55.608 55.682 -0.074 1
1 742 . 5 1 1 A 72 72 LYS CB C 72 32.469 33.813 -1.344 1
1 745 . 5 1 1 A 72 72 LYS N N 72 120.339 123.896 -3.557 1
1 746 . 5 1 1 A 73 73 PHE H H 73 8.663 8.261 0.402 1
1 747 . 5 1 1 A 73 73 PHE HA H 73 4.357 4.383 -0.026 1
1 752 . 5 1 1 A 73 73 PHE C C 73 177.148 177.151 -0.003 1
1 753 . 5 1 1 A 73 73 PHE CA C 73 60.214 60.225 -0.011 1
1 754 . 5 1 1 A 73 73 PHE CB C 73 39.157 37.805 1.352 1
1 756 . 5 1 1 A 73 73 PHE N N 73 121.961 119.646 2.315 1
1 757 . 5 1 1 A 74 74 SER H H 74 8.780 7.232 1.548 1
1 758 . 5 1 1 A 74 74 SER HA H 74 4.353 4.578 -0.225 1
1 760 . 5 1 1 A 74 74 SER C C 74 174.810 174.743 0.067 1
1 761 . 5 1 1 A 74 74 SER CA C 74 58.965 58.256 0.709 1
1 762 . 5 1 1 A 74 74 SER CB C 74 63.650 63.396 0.254 1
1 763 . 5 1 1 A 74 74 SER N N 74 114.021 114.406 -0.385 1
1 764 . 5 1 1 A 75 75 GLY H H 75 8.004 8.059 -0.055 1
1 765 . 5 1 1 A 75 75 GLY HA2 H 75 3.635 3.982 -0.347 1
1 766 . 5 1 1 A 75 75 GLY HA3 H 75 4.221 3.999 0.222 1
1 767 . 5 1 1 A 75 75 GLY C C 75 173.254 174.459 -1.205 1
1 768 . 5 1 1 A 75 75 GLY CA C 75 45.162 45.394 -0.232 1
1 769 . 5 1 1 A 75 75 GLY N N 75 108.714 109.424 -0.710 1
1 770 . 5 1 1 A 76 76 HIS H H 76 7.670 7.930 -0.260 1
1 771 . 5 1 1 A 76 76 HIS HA H 76 5.020 4.647 0.373 1
1 775 . 5 1 1 A 76 76 HIS CA C 76 52.522 53.936 -1.414 1
1 776 . 5 1 1 A 76 76 HIS CB C 76 29.410 30.601 -1.191 1
1 777 . 5 1 1 A 76 76 HIS N N 76 118.164 119.082 -0.918 1
1 778 . 5 1 1 A 77 77 PRO HA H 77 4.551 5.368 -0.817 1
1 784 . 5 1 1 A 77 77 PRO C C 77 176.458 176.186 0.272 1
1 785 . 5 1 1 A 77 77 PRO CA C 77 63.263 62.466 0.797 1
1 786 . 5 1 1 A 77 77 PRO CB C 77 32.077 31.363 0.714 1
1 789 . 5 1 1 A 78 78 LYS H H 78 8.846 8.919 -0.073 1
1 790 . 5 1 1 A 78 78 LYS HA H 78 4.772 4.987 -0.215 1
1 796 . 5 1 1 A 78 78 LYS CA C 78 55.964 54.995 0.969 1
1 797 . 5 1 1 A 78 78 LYS CB C 78 35.816 34.791 1.025 1
1 799 . 5 1 1 A 78 78 LYS N N 78 124.197 122.717 1.480 1
1 800 . 5 1 1 A 79 79 GLY H H 79 8.352 8.806 -0.454 1
1 801 . 5 1 1 A 79 79 GLY HA2 H 79 3.871 4.129 -0.258 1
1 802 . 5 1 1 A 79 79 GLY HA3 H 79 5.451 4.243 1.208 1
1 803 . 5 1 1 A 79 79 GLY C C 79 173.400 172.347 1.053 1
1 804 . 5 1 1 A 79 79 GLY CA C 79 45.189 44.195 0.994 1
1 805 . 5 1 1 A 79 79 GLY N N 79 109.568 109.980 -0.412 1
1 806 . 5 1 1 A 80 80 TYR H H 80 8.856 8.373 0.483 1
1 807 . 5 1 1 A 80 80 TYR HA H 80 4.940 5.434 -0.494 1
1 814 . 5 1 1 A 80 80 TYR C C 80 171.720 172.980 -1.260 1
1 815 . 5 1 1 A 80 80 TYR CA C 80 56.267 56.493 -0.226 1
1 816 . 5 1 1 A 80 80 TYR CB C 80 40.003 41.949 -1.946 1
1 818 . 5 1 1 A 80 80 TYR N N 80 120.052 118.443 1.609 1
1 819 . 5 1 1 A 81 81 ALA H H 81 9.215 8.960 0.255 1
1 820 . 5 1 1 A 81 81 ALA HA H 81 5.386 5.494 -0.108 1
1 824 . 5 1 1 A 81 81 ALA C C 81 175.357 175.617 -0.260 1
1 825 . 5 1 1 A 81 81 ALA CA C 81 50.089 50.642 -0.553 1
1 826 . 5 1 1 A 81 81 ALA CB C 81 24.030 23.544 0.486 1
1 827 . 5 1 1 A 81 81 ALA N N 81 120.138 122.173 -2.035 1
1 828 . 5 1 1 A 82 82 TYR H H 82 8.974 8.962 0.012 1
1 829 . 5 1 1 A 82 82 TYR HA H 82 5.885 5.665 0.220 1
1 836 . 5 1 1 A 82 82 TYR C C 82 176.232 174.494 1.738 1
1 837 . 5 1 1 A 82 82 TYR CA C 82 55.626 56.411 -0.785 1
1 838 . 5 1 1 A 82 82 TYR CB C 82 41.536 40.955 0.581 1
1 839 . 5 1 1 A 82 82 TYR N N 82 114.621 118.477 -3.856 1
1 840 . 5 1 1 A 83 83 ILE H H 83 8.644 8.605 0.039 1
1 841 . 5 1 1 A 83 83 ILE HA H 83 4.275 4.308 -0.033 1
1 851 . 5 1 1 A 83 83 ILE C C 83 173.516 174.490 -0.974 1
1 852 . 5 1 1 A 83 83 ILE CA C 83 60.345 59.882 0.463 1
1 853 . 5 1 1 A 83 83 ILE CB C 83 39.535 38.049 1.486 1
1 857 . 5 1 1 A 83 83 ILE N N 83 122.447 124.162 -1.715 1
1 858 . 5 1 1 A 84 84 GLU H H 84 8.612 9.237 -0.625 1
1 859 . 5 1 1 A 84 84 GLU HA H 84 4.801 4.813 -0.012 1
1 862 . 5 1 1 A 84 84 GLU C C 84 176.111 175.748 0.363 1
1 863 . 5 1 1 A 84 84 GLU CA C 84 54.496 55.095 -0.599 1
1 864 . 5 1 1 A 84 84 GLU CB C 84 31.499 31.107 0.392 1
1 865 . 5 1 1 A 84 84 GLU N N 84 127.346 126.961 0.385 1
1 866 . 5 1 1 A 85 85 PHE H H 85 9.087 9.406 -0.319 1
1 867 . 5 1 1 A 85 85 PHE HA H 85 4.817 4.870 -0.053 1
1 875 . 5 1 1 A 85 85 PHE C C 85 174.422 176.615 -2.193 1
1 876 . 5 1 1 A 85 85 PHE CA C 85 59.072 57.570 1.502 1
1 877 . 5 1 1 A 85 85 PHE CB C 85 40.765 41.254 -0.489 1
1 878 . 5 1 1 A 85 85 PHE N N 85 128.049 123.357 4.692 1
1 879 . 5 1 1 A 86 86 ALA H H 86 8.192 9.222 -1.030 1
1 880 . 5 1 1 A 86 86 ALA HA H 86 4.239 4.336 -0.097 1
1 884 . 5 1 1 A 86 86 ALA C C 86 178.143 177.629 0.514 1
1 885 . 5 1 1 A 86 86 ALA CA C 86 54.524 54.168 0.356 1
1 886 . 5 1 1 A 86 86 ALA CB C 86 19.510 20.025 -0.515 1
1 887 . 5 1 1 A 86 86 ALA N N 86 120.669 122.791 -2.122 1
1 888 . 5 1 1 A 87 87 GLU H H 87 8.455 7.958 0.497 1
1 889 . 5 1 1 A 87 87 GLU HA H 87 4.765 4.725 0.040 1
1 893 . 5 1 1 A 87 87 GLU C C 87 176.472 176.479 -0.007 1
1 894 . 5 1 1 A 87 87 GLU CA C 87 54.353 54.825 -0.472 1
1 895 . 5 1 1 A 87 87 GLU CB C 87 32.624 31.408 1.216 1
1 897 . 5 1 1 A 87 87 GLU N N 87 114.204 117.503 -3.299 1
1 898 . 5 1 1 A 88 88 ARG H H 88 8.917 9.036 -0.119 1
1 899 . 5 1 1 A 88 88 ARG HA H 88 3.961 4.033 -0.072 1
1 905 . 5 1 1 A 88 88 ARG C C 88 178.900 178.002 0.898 1
1 906 . 5 1 1 A 88 88 ARG CA C 88 59.548 58.655 0.893 1
1 907 . 5 1 1 A 88 88 ARG CB C 88 30.073 29.976 0.097 1
1 910 . 5 1 1 A 88 88 ARG N N 88 121.592 124.872 -3.280 1
1 911 . 5 1 1 A 89 89 ASN H H 89 8.845 8.511 0.334 1
1 912 . 5 1 1 A 89 89 ASN HA H 89 4.497 4.458 0.039 1
1 916 . 5 1 1 A 89 89 ASN C C 89 177.179 177.233 -0.054 1
1 917 . 5 1 1 A 89 89 ASN CA C 89 55.861 55.413 0.448 1
1 918 . 5 1 1 A 89 89 ASN CB C 89 37.330 37.072 0.258 1
1 919 . 5 1 1 A 89 89 ASN N N 89 116.555 115.724 0.831 1
1 921 . 5 1 1 A 90 90 SER H H 90 7.513 7.947 -0.434 1
1 922 . 5 1 1 A 90 90 SER HA H 90 4.006 4.094 -0.088 1
1 925 . 5 1 1 A 90 90 SER C C 90 174.511 175.833 -1.322 1
1 926 . 5 1 1 A 90 90 SER CA C 90 61.395 62.224 -0.829 1
1 927 . 5 1 1 A 90 90 SER CB C 90 63.424 62.548 0.876 1
1 928 . 5 1 1 A 90 90 SER N N 90 116.007 117.106 -1.099 1
1 929 . 5 1 1 A 91 91 VAL H H 91 7.653 7.563 0.090 1
1 930 . 5 1 1 A 91 91 VAL HA H 91 3.201 3.705 -0.504 1
1 938 . 5 1 1 A 91 91 VAL C C 91 176.991 177.662 -0.671 1
1 939 . 5 1 1 A 91 91 VAL CA C 91 66.851 65.406 1.445 1
1 940 . 5 1 1 A 91 91 VAL CB C 91 31.599 31.618 -0.019 1
1 943 . 5 1 1 A 91 91 VAL N N 91 119.934 119.197 0.737 1
1 944 . 5 1 1 A 92 92 ASP H H 92 7.192 7.985 -0.793 1
1 945 . 5 1 1 A 92 92 ASP HA H 92 4.321 4.310 0.011 1
1 947 . 5 1 1 A 92 92 ASP C C 92 178.585 178.000 0.585 1
1 948 . 5 1 1 A 92 92 ASP CA C 92 57.401 57.729 -0.328 1
1 949 . 5 1 1 A 92 92 ASP CB C 92 40.078 42.169 -2.091 1
1 950 . 5 1 1 A 92 92 ASP N N 92 117.084 121.749 -4.665 1
1 951 . 5 1 1 A 93 93 ALA H H 93 6.946 7.757 -0.811 1
1 952 . 5 1 1 A 93 93 ALA HA H 93 4.186 4.175 0.011 1
1 956 . 5 1 1 A 93 93 ALA C C 93 179.272 179.953 -0.681 1
1 957 . 5 1 1 A 93 93 ALA CA C 93 54.445 54.712 -0.267 1
1 958 . 5 1 1 A 93 93 ALA CB C 93 18.164 18.230 -0.066 1
1 959 . 5 1 1 A 93 93 ALA N N 93 121.045 120.749 0.296 1
1 960 . 5 1 1 A 94 94 ALA H H 94 8.033 7.867 0.166 1
1 961 . 5 1 1 A 94 94 ALA HA H 94 4.545 4.148 0.397 1
1 965 . 5 1 1 A 94 94 ALA C C 94 180.529 179.776 0.753 1
1 966 . 5 1 1 A 94 94 ALA CA C 94 55.518 55.180 0.338 1
1 967 . 5 1 1 A 94 94 ALA CB C 94 19.455 18.691 0.764 1
1 968 . 5 1 1 A 94 94 ALA N N 94 122.191 120.957 1.234 1
1 969 . 5 1 1 A 95 95 VAL H H 95 8.565 8.588 -0.023 1
1 970 . 5 1 1 A 95 95 VAL HA H 95 3.741 3.872 -0.131 1
1 978 . 5 1 1 A 95 95 VAL C C 95 178.767 177.711 1.056 1
1 979 . 5 1 1 A 95 95 VAL CA C 95 65.820 64.816 1.004 1
1 980 . 5 1 1 A 95 95 VAL CB C 95 31.501 31.457 0.044 1
1 983 . 5 1 1 A 95 95 VAL N N 95 117.405 116.664 0.741 1
1 984 . 5 1 1 A 96 96 ALA H H 96 7.354 8.046 -0.692 1
1 985 . 5 1 1 A 96 96 ALA HA H 96 4.403 4.234 0.169 1
1 989 . 5 1 1 A 96 96 ALA C C 96 178.242 178.257 -0.015 1
1 990 . 5 1 1 A 96 96 ALA CA C 96 53.916 53.969 -0.053 1
1 991 . 5 1 1 A 96 96 ALA CB C 96 17.841 18.284 -0.443 1
1 992 . 5 1 1 A 96 96 ALA N N 96 122.769 123.592 -0.823 1
1 993 . 5 1 1 A 97 97 MET H H 97 7.980 8.213 -0.233 1
1 994 . 5 1 1 A 97 97 MET HA H 97 4.471 4.649 -0.178 1
1 1002 . 5 1 1 A 97 97 MET C C 97 175.959 176.916 -0.957 1
1 1003 . 5 1 1 A 97 97 MET CA C 97 55.150 54.578 0.572 1
1 1004 . 5 1 1 A 97 97 MET CB C 97 31.663 32.421 -0.758 1
1 1007 . 5 1 1 A 97 97 MET N N 97 115.573 115.706 -0.133 1
1 1008 . 5 1 1 A 98 98 ASP H H 98 7.852 8.417 -0.565 1
1 1009 . 5 1 1 A 98 98 ASP HA H 98 4.422 4.449 -0.027 1
1 1012 . 5 1 1 A 98 98 ASP C C 98 175.976 176.550 -0.574 1
1 1013 . 5 1 1 A 98 98 ASP CA C 98 57.476 54.893 2.583 1
1 1014 . 5 1 1 A 98 98 ASP CB C 98 42.008 39.112 2.896 1
1 1015 . 5 1 1 A 98 98 ASP N N 98 121.576 120.195 1.381 1
1 1016 . 5 1 1 A 99 99 GLU H H 99 8.643 8.737 -0.094 1
1 1017 . 5 1 1 A 99 99 GLU HA H 99 4.154 4.639 -0.485 1
1 1022 . 5 1 1 A 99 99 GLU C C 99 176.369 175.526 0.843 1
1 1023 . 5 1 1 A 99 99 GLU CA C 99 58.403 56.511 1.892 1
1 1024 . 5 1 1 A 99 99 GLU CB C 99 26.214 32.734 -6.520 1
1 1026 . 5 1 1 A 99 99 GLU N N 99 119.455 119.642 -0.187 1
1 1027 . 5 1 1 A 100 100 THR H H 100 7.416 7.552 -0.136 1
1 1028 . 5 1 1 A 100 100 THR HA H 100 4.498 4.526 -0.028 1
1 1033 . 5 1 1 A 100 100 THR C C 100 172.876 173.605 -0.729 1
1 1034 . 5 1 1 A 100 100 THR CA C 100 61.065 60.705 0.360 1
1 1035 . 5 1 1 A 100 100 THR CB C 100 72.140 70.992 1.148 1
1 1037 . 5 1 1 A 100 100 THR N N 100 107.670 111.778 -4.108 1
1 1038 . 5 1 1 A 101 101 VAL H H 101 8.252 8.474 -0.222 1
1 1039 . 5 1 1 A 101 101 VAL HA H 101 4.638 5.073 -0.435 1
1 1047 . 5 1 1 A 101 101 VAL C C 101 176.138 173.959 2.179 1
1 1048 . 5 1 1 A 101 101 VAL CA C 101 62.299 59.632 2.667 1
1 1049 . 5 1 1 A 101 101 VAL CB C 101 32.215 34.303 -2.088 1
1 1052 . 5 1 1 A 101 101 VAL N N 101 118.227 121.566 -3.339 1
1 1053 . 5 1 1 A 102 102 PHE H H 102 9.300 9.536 -0.236 1
1 1054 . 5 1 1 A 102 102 PHE HA H 102 4.671 4.839 -0.168 1
1 1061 . 5 1 1 A 102 102 PHE C C 102 174.216 174.889 -0.673 1
1 1062 . 5 1 1 A 102 102 PHE CA C 102 56.205 57.221 -1.016 1
1 1063 . 5 1 1 A 102 102 PHE CB C 102 41.707 41.889 -0.182 1
1 1064 . 5 1 1 A 102 102 PHE N N 102 128.863 129.578 -0.715 1
1 1065 . 5 1 1 A 103 103 ARG H H 103 9.167 8.856 0.311 1
1 1066 . 5 1 1 A 103 103 ARG HA H 103 3.389 3.733 -0.344 1
1 1075 . 5 1 1 A 103 103 ARG C C 103 176.014 175.296 0.718 1
1 1076 . 5 1 1 A 103 103 ARG CA C 103 57.215 56.804 0.411 1
1 1077 . 5 1 1 A 103 103 ARG CB C 103 27.382 28.724 -1.342 1
1 1080 . 5 1 1 A 103 103 ARG N N 103 128.268 126.675 1.593 1
1 1082 . 5 1 1 A 104 104 GLY H H 104 8.005 8.561 -0.556 1
1 1083 . 5 1 1 A 104 104 GLY HA2 H 104 4.006 3.801 0.205 1
1 1084 . 5 1 1 A 104 104 GLY HA3 H 104 3.455 3.807 -0.352 1
1 1085 . 5 1 1 A 104 104 GLY C C 104 173.766 173.551 0.215 1
1 1086 . 5 1 1 A 104 104 GLY CA C 104 45.598 45.362 0.236 1
1 1087 . 5 1 1 A 104 104 GLY N N 104 101.324 104.811 -3.487 1
1 1088 . 5 1 1 A 105 105 ARG H H 105 7.681 7.655 0.026 1
1 1089 . 5 1 1 A 105 105 ARG HA H 105 4.735 4.897 -0.162 1
1 1097 . 5 1 1 A 105 105 ARG C C 105 174.543 174.621 -0.078 1
1 1098 . 5 1 1 A 105 105 ARG CA C 105 54.071 54.033 0.038 1
1 1099 . 5 1 1 A 105 105 ARG CB C 105 33.159 33.601 -0.442 1
1 1102 . 5 1 1 A 105 105 ARG N N 105 119.837 115.649 4.188 1
1 1104 . 5 1 1 A 106 106 THR H H 106 8.604 8.679 -0.075 1
1 1105 . 5 1 1 A 106 106 THR HA H 106 4.593 4.682 -0.089 1
1 1110 . 5 1 1 A 106 106 THR C C 106 175.643 174.437 1.206 1
1 1111 . 5 1 1 A 106 106 THR CA C 106 62.821 63.450 -0.629 1
1 1112 . 5 1 1 A 106 106 THR CB C 106 68.784 68.879 -0.095 1
1 1114 . 5 1 1 A 106 106 THR N N 106 118.251 117.483 0.768 1
1 1115 . 5 1 1 A 107 107 ILE H H 107 8.756 8.663 0.093 1
1 1116 . 5 1 1 A 107 107 ILE HA H 107 4.884 5.003 -0.119 1
1 1126 . 5 1 1 A 107 107 ILE C C 107 174.877 174.085 0.792 1
1 1127 . 5 1 1 A 107 107 ILE CA C 107 60.834 59.166 1.668 1
1 1128 . 5 1 1 A 107 107 ILE CB C 107 40.644 40.440 0.204 1
1 1132 . 5 1 1 A 107 107 ILE N N 107 123.422 123.668 -0.246 1
1 1133 . 5 1 1 A 108 108 LYS H H 108 7.412 8.336 -0.924 1
1 1134 . 5 1 1 A 108 108 LYS HA H 108 5.524 5.230 0.294 1
1 1141 . 5 1 1 A 108 108 LYS C C 108 175.839 174.995 0.844 1
1 1142 . 5 1 1 A 108 108 LYS CA C 108 52.172 54.734 -2.562 1
1 1143 . 5 1 1 A 108 108 LYS CB C 108 33.947 36.026 -2.079 1
1 1147 . 5 1 1 A 108 108 LYS N N 108 121.402 122.421 -1.019 1
1 1148 . 5 1 1 A 109 109 VAL H H 109 9.467 9.007 0.460 1
1 1149 . 5 1 1 A 109 109 VAL HA H 109 5.410 5.499 -0.089 1
1 1157 . 5 1 1 A 109 109 VAL C C 109 174.514 175.136 -0.622 1
1 1158 . 5 1 1 A 109 109 VAL CA C 109 61.258 61.407 -0.149 1
1 1159 . 5 1 1 A 109 109 VAL CB C 109 34.289 34.515 -0.226 1
1 1162 . 5 1 1 A 109 109 VAL N N 109 125.530 126.195 -0.665 1
1 1163 . 5 1 1 A 110 110 LEU H H 110 9.081 9.041 0.040 1
1 1164 . 5 1 1 A 110 110 LEU HA H 110 5.109 5.126 -0.017 1
1 1173 . 5 1 1 A 110 110 LEU CA C 110 51.660 51.065 0.595 1
1 1174 . 5 1 1 A 110 110 LEU CB C 110 46.037 44.863 1.174 1
1 1178 . 5 1 1 A 110 110 LEU N N 110 125.323 124.132 1.191 1
1 1179 . 5 1 1 A 111 111 PRO HA H 111 4.539 4.605 -0.066 1
1 1186 . 5 1 1 A 111 111 PRO C C 111 176.222 176.200 0.022 1
1 1187 . 5 1 1 A 111 111 PRO CA C 111 63.390 62.932 0.458 1
1 1188 . 5 1 1 A 111 111 PRO CB C 111 31.697 32.336 -0.639 1
1 1191 . 5 1 1 A 112 112 LYS H H 112 8.121 8.852 -0.731 1
1 1192 . 5 1 1 A 112 112 LYS HA H 112 4.113 4.679 -0.566 1
1 1199 . 5 1 1 A 112 112 LYS C C 112 175.830 175.732 0.098 1
1 1200 . 5 1 1 A 112 112 LYS CA C 112 58.405 56.093 2.312 1
1 1201 . 5 1 1 A 112 112 LYS CB C 112 33.746 33.700 0.046 1
1 1204 . 5 1 1 A 112 112 LYS N N 112 124.317 122.158 2.159 1
1 1205 . 5 1 1 A 113 113 ARG H H 113 8.228 8.731 -0.503 1
1 1206 . 5 1 1 A 113 113 ARG HA H 113 4.451 4.966 -0.515 1
1 1211 . 5 1 1 A 113 113 ARG C C 113 175.758 174.476 1.282 1
1 1212 . 5 1 1 A 113 113 ARG CA C 113 55.468 54.064 1.404 1
1 1213 . 5 1 1 A 113 113 ARG CB C 113 31.550 33.623 -2.073 1
1 1215 . 5 1 1 A 113 113 ARG N N 113 121.228 125.500 -4.272 1
1 1216 . 5 1 1 A 114 114 THR H H 114 8.138 8.814 -0.676 1
1 1217 . 5 1 1 A 114 114 THR HA H 114 4.264 4.768 -0.504 1
1 1222 . 5 1 1 A 114 114 THR C C 114 174.043 173.209 0.834 1
1 1223 . 5 1 1 A 114 114 THR CA C 114 62.229 60.476 1.753 1
1 1224 . 5 1 1 A 114 114 THR CB C 114 69.682 70.519 -0.837 1
1 1226 . 5 1 1 A 114 114 THR N N 114 116.384 116.694 -0.310 1
1 1227 . 5 1 1 A 115 115 ASN H H 115 8.406 8.913 -0.507 1
1 1228 . 5 1 1 A 115 115 ASN HA H 115 4.682 4.788 -0.106 1
1 1233 . 5 1 1 A 115 115 ASN C C 115 174.513 174.532 -0.019 1
1 1234 . 5 1 1 A 115 115 ASN CA C 115 53.242 52.529 0.713 1
1 1235 . 5 1 1 A 115 115 ASN CB C 115 38.888 37.850 1.038 1
1 1236 . 5 1 1 A 115 115 ASN N N 115 120.871 128.197 -7.326 1
1 1238 . 5 1 1 A 116 116 MET H H 116 8.138 8.443 -0.305 1
1 1239 . 5 1 1 A 116 116 MET CA C 116 53.400 56.229 -2.829 1
1 1240 . 5 1 1 A 116 116 MET CB C 116 32.829 34.937 -2.108 1
1 1241 . 5 1 1 A 116 116 MET N N 116 121.611 124.437 -2.826 1
1 1242 . 5 1 1 A 117 117 PRO HA H 117 4.428 4.563 -0.135 1
1 1245 . 5 1 1 A 117 117 PRO C C 117 175.935 176.579 -0.644 1
1 1246 . 5 1 1 A 117 117 PRO CA C 117 63.489 63.758 -0.269 1
1 1247 . 5 1 1 A 117 117 PRO CB C 117 32.105 32.091 0.014 1
1 1248 . 5 1 1 A 118 118 GLY H H 118 8.411 8.222 0.189 1
1 1249 . 5 1 1 A 118 118 GLY HA2 H 118 3.927 3.938 -0.011 1
1 1250 . 5 1 1 A 118 118 GLY HA3 H 118 4.389 3.938 0.451 1
1 1251 . 5 1 1 A 118 118 GLY C C 118 174.117 173.321 0.796 1
1 1252 . 5 1 1 A 118 118 GLY CA C 118 45.470 45.134 0.336 1
1 1253 . 5 1 1 A 118 118 GLY N N 118 109.241 108.591 0.650 1
1 1254 . 5 1 1 A 119 119 ILE H H 119 7.825 7.774 0.051 1
1 1255 . 5 1 1 A 119 119 ILE HA H 119 4.234 3.894 0.340 1
1 1265 . 5 1 1 A 119 119 ILE C C 119 176.261 175.838 0.423 1
1 1266 . 5 1 1 A 119 119 ILE CA C 119 61.029 61.947 -0.918 1
1 1267 . 5 1 1 A 119 119 ILE CB C 119 38.878 36.459 2.419 1
1 1270 . 5 1 1 A 119 119 ILE N N 119 119.504 115.444 4.060 1
1 1271 . 5 1 1 A 120 120 SER H H 120 8.397 8.487 -0.090 1
1 1272 . 5 1 1 A 120 120 SER HA H 120 4.534 4.499 0.035 1
1 1274 . 5 1 1 A 120 120 SER C C 120 174.692 174.959 -0.267 1
1 1275 . 5 1 1 A 120 120 SER CA C 120 58.150 59.603 -1.453 1
1 1276 . 5 1 1 A 120 120 SER CB C 120 63.997 63.837 0.160 1
1 1277 . 5 1 1 A 120 120 SER N N 120 119.359 123.264 -3.905 1
1 1278 . 5 1 1 A 121 121 SER H H 121 8.371 7.970 0.401 1
1 1279 . 5 1 1 A 121 121 SER HA H 121 4.360 4.446 -0.086 1
1 1280 . 5 1 1 A 121 121 SER C C 121 174.809 173.852 0.957 1
1 1281 . 5 1 1 A 121 121 SER CA C 121 58.656 60.888 -2.232 1
1 1282 . 5 1 1 A 121 121 SER CB C 121 63.795 62.053 1.742 1
1 1283 . 5 1 1 A 121 121 SER N N 121 118.036 115.053 2.983 1
1 1284 . 5 1 1 A 122 122 THR H H 122 8.100 8.405 -0.305 1
1 1285 . 5 1 1 A 122 122 THR C C 122 174.254 172.633 1.621 1
1 1286 . 5 1 1 A 122 122 THR CA C 122 61.829 60.717 1.112 1
1 1287 . 5 1 1 A 122 122 THR CB C 122 69.537 69.676 -0.139 1
1 1288 . 5 1 1 A 122 122 THR N N 122 114.163 114.130 0.033 1
1 1289 . 5 1 1 A 123 123 ASP H H 123 8.197 9.022 -0.825 1
1 1290 . 5 1 1 A 123 123 ASP HA H 123 4.641 4.771 -0.130 1
1 1292 . 5 1 1 A 123 123 ASP C C 123 174.975 176.540 -1.565 1
1 1293 . 5 1 1 A 123 123 ASP CA C 123 54.542 53.265 1.277 1
1 1294 . 5 1 1 A 123 123 ASP CB C 123 41.144 40.629 0.515 1
1 1295 . 5 1 1 A 123 123 ASP N N 123 122.772 128.583 -5.811 1
1 8 . 6 1 1 A 2 2 ILE H H 2 8.420 8.374 0.046 1
1 9 . 6 1 1 A 2 2 ILE HA H 2 4.219 4.675 -0.456 1
1 11 . 6 1 1 A 2 2 ILE C C 2 175.424 175.296 0.128 1
1 12 . 6 1 1 A 2 2 ILE CA C 2 61.022 60.431 0.591 1
1 13 . 6 1 1 A 2 2 ILE CB C 2 38.918 38.464 0.454 1
1 14 . 6 1 1 A 2 2 ILE N N 2 120.314 120.367 -0.053 1
1 15 . 6 1 1 A 3 3 ALA H H 3 8.374 8.721 -0.347 1
1 16 . 6 1 1 A 3 3 ALA CA C 3 50.509 49.684 0.825 1
1 17 . 6 1 1 A 3 3 ALA CB C 3 18.608 19.259 -0.651 1
1 18 . 6 1 1 A 3 3 ALA N N 3 129.874 128.487 1.387 1
1 19 . 6 1 1 A 4 4 PRO HA H 4 4.446 4.559 -0.113 1
1 22 . 6 1 1 A 4 4 PRO C C 4 176.949 177.030 -0.081 1
1 23 . 6 1 1 A 4 4 PRO CA C 4 63.456 63.535 -0.079 1
1 24 . 6 1 1 A 4 4 PRO CB C 4 32.203 32.466 -0.263 1
1 25 . 6 1 1 A 5 5 CYS H H 5 8.347 7.994 0.353 1
1 26 . 6 1 1 A 5 5 CYS HA H 5 4.492 4.142 0.350 1
1 28 . 6 1 1 A 5 5 CYS C C 5 174.805 173.529 1.276 1
1 29 . 6 1 1 A 5 5 CYS CA C 5 58.495 60.038 -1.543 1
1 30 . 6 1 1 A 5 5 CYS CB C 5 27.957 26.200 1.757 1
1 31 . 6 1 1 A 5 5 CYS N N 5 118.477 118.076 0.401 1
1 32 . 6 1 1 A 6 6 MET H H 6 8.421 8.470 -0.049 1
1 33 . 6 1 1 A 6 6 MET HA H 6 4.534 5.052 -0.518 1
1 35 . 6 1 1 A 6 6 MET C C 6 176.132 175.042 1.090 1
1 36 . 6 1 1 A 6 6 MET CA C 6 55.629 54.108 1.521 1
1 37 . 6 1 1 A 6 6 MET CB C 6 33.048 35.500 -2.452 1
1 38 . 6 1 1 A 6 6 MET N N 6 122.952 122.956 -0.004 1
1 39 . 6 1 1 A 7 7 GLN H H 7 8.313 8.682 -0.369 1
1 40 . 6 1 1 A 7 7 GLN HA H 7 4.435 4.519 -0.084 1
1 42 . 6 1 1 A 7 7 GLN C C 7 176.128 176.617 -0.489 1
1 43 . 6 1 1 A 7 7 GLN CA C 7 56.109 55.408 0.701 1
1 44 . 6 1 1 A 7 7 GLN CB C 7 29.591 28.288 1.303 1
1 45 . 6 1 1 A 7 7 GLN N N 7 121.379 124.486 -3.107 1
1 46 . 6 1 1 A 8 8 THR H H 8 8.195 7.836 0.359 1
1 47 . 6 1 1 A 8 8 THR HA H 8 4.406 4.336 0.070 1
1 49 . 6 1 1 A 8 8 THR C C 8 174.739 175.116 -0.377 1
1 50 . 6 1 1 A 8 8 THR CA C 8 61.856 62.781 -0.925 1
1 51 . 6 1 1 A 8 8 THR CB C 8 69.854 69.194 0.660 1
1 52 . 6 1 1 A 8 8 THR N N 8 115.096 115.316 -0.220 1
1 53 . 6 1 1 A 9 9 THR H H 9 8.081 7.501 0.580 1
1 54 . 6 1 1 A 9 9 THR HA H 9 4.335 4.392 -0.057 1
1 56 . 6 1 1 A 9 9 THR C C 9 174.407 173.915 0.492 1
1 57 . 6 1 1 A 9 9 THR CA C 9 61.896 62.197 -0.301 1
1 58 . 6 1 1 A 9 9 THR CB C 9 69.811 69.350 0.461 1
1 59 . 6 1 1 A 9 9 THR N N 9 115.837 118.138 -2.301 1
1 60 . 6 1 1 A 10 10 HIS H H 10 8.477 8.704 -0.227 1
1 61 . 6 1 1 A 10 10 HIS HA H 10 4.788 5.117 -0.329 1
1 64 . 6 1 1 A 10 10 HIS C C 10 174.571 174.737 -0.166 1
1 65 . 6 1 1 A 10 10 HIS CA C 10 55.477 54.642 0.835 1
1 66 . 6 1 1 A 10 10 HIS CB C 10 29.291 32.862 -3.571 1
1 67 . 6 1 1 A 10 10 HIS N N 10 120.606 128.362 -7.756 1
1 68 . 6 1 1 A 11 11 SER H H 11 8.306 8.643 -0.337 1
1 69 . 6 1 1 A 11 11 SER HA H 11 4.448 4.366 0.082 1
1 71 . 6 1 1 A 11 11 SER C C 11 174.512 174.087 0.425 1
1 72 . 6 1 1 A 11 11 SER CA C 11 58.557 59.313 -0.756 1
1 73 . 6 1 1 A 11 11 SER CB C 11 63.943 63.987 -0.044 1
1 74 . 6 1 1 A 11 11 SER N N 11 117.043 122.990 -5.947 1
1 75 . 6 1 1 A 12 12 LYS H H 12 8.402 7.943 0.459 1
1 76 . 6 1 1 A 12 12 LYS HA H 12 4.359 3.858 0.501 1
1 79 . 6 1 1 A 12 12 LYS C C 12 176.592 175.335 1.257 1
1 80 . 6 1 1 A 12 12 LYS CA C 12 56.634 56.966 -0.332 1
1 81 . 6 1 1 A 12 12 LYS CB C 12 33.127 31.452 1.675 1
1 82 . 6 1 1 A 12 12 LYS N N 12 123.023 120.402 2.621 1
1 83 . 6 1 1 A 13 13 MET H H 13 8.343 8.348 -0.005 1
1 84 . 6 1 1 A 13 13 MET HA H 13 4.530 4.316 0.214 1
1 88 . 6 1 1 A 13 13 MET C C 13 176.373 176.019 0.354 1
1 89 . 6 1 1 A 13 13 MET CA C 13 55.680 56.395 -0.715 1
1 90 . 6 1 1 A 13 13 MET CB C 13 32.925 30.962 1.963 1
1 91 . 6 1 1 A 13 13 MET N N 13 121.294 115.330 5.964 1
1 92 . 6 1 1 A 14 14 THR H H 14 8.068 8.134 -0.066 1
1 93 . 6 1 1 A 14 14 THR HA H 14 4.333 4.144 0.189 1
1 97 . 6 1 1 A 14 14 THR C C 14 174.246 174.509 -0.263 1
1 98 . 6 1 1 A 14 14 THR CA C 14 61.770 65.542 -3.772 1
1 99 . 6 1 1 A 14 14 THR CB C 14 69.894 69.387 0.507 1
1 100 . 6 1 1 A 14 14 THR N N 14 115.254 111.625 3.629 1
1 101 . 6 1 1 A 15 15 ALA H H 15 8.289 7.936 0.353 1
1 102 . 6 1 1 A 15 15 ALA HA H 15 4.344 4.186 0.158 1
1 106 . 6 1 1 A 15 15 ALA C C 15 178.080 176.952 1.128 1
1 107 . 6 1 1 A 15 15 ALA CA C 15 52.779 53.135 -0.356 1
1 108 . 6 1 1 A 15 15 ALA CB C 15 19.286 18.277 1.009 1
1 109 . 6 1 1 A 15 15 ALA N N 15 126.372 124.006 2.366 1
1 110 . 6 1 1 A 16 16 GLY H H 16 8.291 8.444 -0.153 1
1 111 . 6 1 1 A 16 16 GLY HA2 H 16 3.913 4.176 -0.263 1
1 112 . 6 1 1 A 16 16 GLY C C 16 173.788 174.578 -0.790 1
1 113 . 6 1 1 A 16 16 GLY CA C 16 45.298 45.797 -0.499 1
1 114 . 6 1 1 A 16 16 GLY N N 16 108.095 108.648 -0.553 1
1 115 . 6 1 1 A 17 17 ALA H H 17 8.000 8.826 -0.826 1
1 116 . 6 1 1 A 17 17 ALA HA H 17 4.292 4.183 0.109 1
1 120 . 6 1 1 A 17 17 ALA C C 17 177.366 176.764 0.602 1
1 121 . 6 1 1 A 17 17 ALA CA C 17 52.518 54.784 -2.266 1
1 122 . 6 1 1 A 17 17 ALA CB C 17 19.577 19.142 0.435 1
1 123 . 6 1 1 A 17 17 ALA N N 17 123.370 123.381 -0.011 1
1 124 . 6 1 1 A 18 18 TYR H H 18 8.135 7.591 0.544 1
1 125 . 6 1 1 A 18 18 TYR HA H 18 4.640 4.786 -0.146 1
1 129 . 6 1 1 A 18 18 TYR C C 18 176.031 173.316 2.715 1
1 130 . 6 1 1 A 18 18 TYR CA C 18 57.973 58.212 -0.239 1
1 131 . 6 1 1 A 18 18 TYR CB C 18 38.661 41.245 -2.584 1
1 132 . 6 1 1 A 18 18 TYR N N 18 119.212 114.910 4.302 1
1 133 . 6 1 1 A 19 19 THR H H 19 7.912 8.102 -0.190 1
1 134 . 6 1 1 A 19 19 THR HA H 19 4.267 4.039 0.228 1
1 139 . 6 1 1 A 19 19 THR C C 19 173.995 173.890 0.105 1
1 140 . 6 1 1 A 19 19 THR CA C 19 61.848 61.110 0.738 1
1 141 . 6 1 1 A 19 19 THR CB C 19 69.756 71.442 -1.686 1
1 142 . 6 1 1 A 19 19 THR N N 19 115.764 120.614 -4.850 1
1 143 . 6 1 1 A 20 20 GLU H H 20 8.077 9.155 -1.078 1
1 144 . 6 1 1 A 20 20 GLU HA H 20 4.301 3.938 0.363 1
1 148 . 6 1 1 A 20 20 GLU C C 20 176.128 176.767 -0.639 1
1 149 . 6 1 1 A 20 20 GLU CA C 20 56.312 57.545 -1.233 1
1 150 . 6 1 1 A 20 20 GLU CB C 20 30.423 27.670 2.753 1
1 152 . 6 1 1 A 20 20 GLU N N 20 122.553 127.303 -4.750 1
1 153 . 6 1 1 A 21 21 GLY H H 21 7.966 8.086 -0.120 1
1 154 . 6 1 1 A 21 21 GLY HA2 H 21 3.903 3.890 0.013 1
1 155 . 6 1 1 A 21 21 GLY CA C 21 44.257 45.909 -1.652 1
1 156 . 6 1 1 A 21 21 GLY N N 21 109.544 105.923 3.621 1
1 157 . 6 1 1 A 22 22 PRO HA H 22 4.232 4.451 -0.219 1
1 164 . 6 1 1 A 22 22 PRO CA C 22 61.109 64.619 -3.510 1
1 165 . 6 1 1 A 22 22 PRO CB C 22 30.711 31.890 -1.179 1
1 168 . 6 1 1 A 23 23 PRO HA H 23 4.363 4.541 -0.178 1
1 174 . 6 1 1 A 23 23 PRO C C 23 176.567 176.695 -0.128 1
1 175 . 6 1 1 A 23 23 PRO CA C 23 62.733 62.460 0.273 1
1 176 . 6 1 1 A 23 23 PRO CB C 23 32.048 32.446 -0.398 1
1 179 . 6 1 1 A 24 24 GLN H H 24 8.286 8.388 -0.102 1
1 180 . 6 1 1 A 24 24 GLN HA H 24 4.479 4.436 0.043 1
1 186 . 6 1 1 A 24 24 GLN CA C 24 53.763 54.498 -0.735 1
1 187 . 6 1 1 A 24 24 GLN CB C 24 28.800 28.223 0.577 1
1 189 . 6 1 1 A 24 24 GLN N N 24 121.215 120.323 0.892 1
1 191 . 6 1 1 A 25 25 PRO HA H 25 4.389 5.344 -0.955 1
1 198 . 6 1 1 A 25 25 PRO C C 25 176.707 176.535 0.172 1
1 199 . 6 1 1 A 25 25 PRO CA C 25 62.867 62.094 0.773 1
1 200 . 6 1 1 A 25 25 PRO CB C 25 32.174 32.012 0.162 1
1 203 . 6 1 1 A 26 26 LEU H H 26 8.244 8.289 -0.045 1
1 204 . 6 1 1 A 26 26 LEU HA H 26 4.405 5.094 -0.689 1
1 214 . 6 1 1 A 26 26 LEU C C 26 177.517 175.369 2.148 1
1 215 . 6 1 1 A 26 26 LEU CA C 26 54.643 52.477 2.166 1
1 216 . 6 1 1 A 26 26 LEU CB C 26 43.618 45.976 -2.358 1
1 220 . 6 1 1 A 26 26 LEU N N 26 122.745 118.809 3.936 1
1 221 . 6 1 1 A 27 27 SER H H 27 8.758 8.694 0.064 1
1 222 . 6 1 1 A 27 27 SER HA H 27 4.474 4.598 -0.124 1
1 225 . 6 1 1 A 27 27 SER C C 27 174.789 175.448 -0.659 1
1 226 . 6 1 1 A 27 27 SER CA C 27 57.461 58.557 -1.096 1
1 227 . 6 1 1 A 27 27 SER CB C 27 65.280 63.718 1.562 1
1 228 . 6 1 1 A 27 27 SER N N 27 117.967 117.256 0.711 1
1 229 . 6 1 1 A 28 28 ALA H H 28 8.841 8.958 -0.117 1
1 230 . 6 1 1 A 28 28 ALA HA H 28 4.037 3.921 0.116 1
1 234 . 6 1 1 A 28 28 ALA CA C 28 55.346 55.290 0.056 1
1 235 . 6 1 1 A 28 28 ALA CB C 28 18.347 18.322 0.025 1
1 236 . 6 1 1 A 28 28 ALA N N 28 124.144 129.333 -5.189 1
1 237 . 6 1 1 A 29 29 GLU H H 29 8.565 7.751 0.814 1
1 238 . 6 1 1 A 29 29 GLU HA H 29 4.026 4.025 0.001 1
1 242 . 6 1 1 A 29 29 GLU C C 29 178.877 179.323 -0.446 1
1 243 . 6 1 1 A 29 29 GLU CA C 29 59.430 59.455 -0.025 1
1 244 . 6 1 1 A 29 29 GLU CB C 29 29.244 29.152 0.092 1
1 246 . 6 1 1 A 29 29 GLU N N 29 117.527 118.249 -0.722 1
1 247 . 6 1 1 A 30 30 GLU H H 30 7.823 8.170 -0.347 1
1 248 . 6 1 1 A 30 30 GLU HA H 30 4.054 4.086 -0.032 1
1 253 . 6 1 1 A 30 30 GLU C C 30 179.191 178.943 0.248 1
1 254 . 6 1 1 A 30 30 GLU CA C 30 59.037 58.906 0.131 1
1 255 . 6 1 1 A 30 30 GLU CB C 30 30.102 29.557 0.545 1
1 257 . 6 1 1 A 30 30 GLU N N 30 120.773 121.048 -0.275 1
1 258 . 6 1 1 A 31 31 LYS H H 31 8.246 7.632 0.614 1
1 259 . 6 1 1 A 31 31 LYS HA H 31 3.844 4.072 -0.228 1
1 266 . 6 1 1 A 31 31 LYS C C 31 177.968 179.762 -1.794 1
1 267 . 6 1 1 A 31 31 LYS CA C 31 59.889 59.531 0.358 1
1 268 . 6 1 1 A 31 31 LYS CB C 31 32.350 32.123 0.227 1
1 272 . 6 1 1 A 31 31 LYS N N 31 119.315 119.925 -0.610 1
1 273 . 6 1 1 A 32 32 LYS H H 32 7.698 8.252 -0.554 1
1 274 . 6 1 1 A 32 32 LYS HA H 32 4.043 3.925 0.118 1
1 282 . 6 1 1 A 32 32 LYS C C 32 178.848 179.781 -0.933 1
1 283 . 6 1 1 A 32 32 LYS CA C 32 59.479 60.112 -0.633 1
1 284 . 6 1 1 A 32 32 LYS CB C 32 32.459 32.148 0.311 1
1 288 . 6 1 1 A 32 32 LYS N N 32 118.195 119.723 -1.528 1
1 289 . 6 1 1 A 33 33 GLU H H 33 7.512 7.666 -0.154 1
1 290 . 6 1 1 A 33 33 GLU HA H 33 4.031 4.068 -0.037 1
1 295 . 6 1 1 A 33 33 GLU C C 33 178.989 179.425 -0.436 1
1 296 . 6 1 1 A 33 33 GLU CA C 33 59.157 58.921 0.236 1
1 297 . 6 1 1 A 33 33 GLU CB C 33 29.220 29.611 -0.391 1
1 299 . 6 1 1 A 33 33 GLU N N 33 118.459 119.731 -1.272 1
1 300 . 6 1 1 A 34 34 ILE H H 34 7.912 7.692 0.220 1
1 301 . 6 1 1 A 34 34 ILE HA H 34 3.503 3.846 -0.343 1
1 311 . 6 1 1 A 34 34 ILE C C 34 180.639 177.718 2.921 1
1 312 . 6 1 1 A 34 34 ILE CA C 34 65.305 64.014 1.291 1
1 313 . 6 1 1 A 34 34 ILE CB C 34 38.540 37.468 1.072 1
1 317 . 6 1 1 A 34 34 ILE N N 34 120.176 117.652 2.524 1
1 318 . 6 1 1 A 35 35 ASP H H 35 8.457 8.507 -0.050 1
1 319 . 6 1 1 A 35 35 ASP HA H 35 4.145 5.015 -0.870 1
1 322 . 6 1 1 A 35 35 ASP C C 35 178.790 178.838 -0.048 1
1 323 . 6 1 1 A 35 35 ASP CA C 35 58.322 57.165 1.157 1
1 324 . 6 1 1 A 35 35 ASP CB C 35 39.538 40.449 -0.911 1
1 325 . 6 1 1 A 35 35 ASP N N 35 123.589 122.023 1.566 1
1 326 . 6 1 1 A 36 36 LYS H H 36 7.573 7.646 -0.073 1
1 327 . 6 1 1 A 36 36 LYS HA H 36 4.187 4.079 0.108 1
1 334 . 6 1 1 A 36 36 LYS C C 36 176.400 178.284 -1.884 1
1 335 . 6 1 1 A 36 36 LYS CA C 36 58.656 59.165 -0.509 1
1 336 . 6 1 1 A 36 36 LYS CB C 36 32.991 31.846 1.145 1
1 340 . 6 1 1 A 36 36 LYS N N 36 117.506 119.407 -1.901 1
1 341 . 6 1 1 A 37 37 ARG H H 37 7.397 7.182 0.215 1
1 342 . 6 1 1 A 37 37 ARG HA H 37 4.658 4.511 0.147 1
1 348 . 6 1 1 A 37 37 ARG C C 37 174.361 175.824 -1.463 1
1 349 . 6 1 1 A 37 37 ARG CA C 37 55.793 55.538 0.255 1
1 350 . 6 1 1 A 37 37 ARG CB C 37 31.260 30.550 0.710 1
1 353 . 6 1 1 A 37 37 ARG N N 37 115.182 117.223 -2.041 1
1 354 . 6 1 1 A 38 38 SER H H 38 7.416 7.395 0.021 1
1 355 . 6 1 1 A 38 38 SER HA H 38 6.346 5.239 1.107 1
1 358 . 6 1 1 A 38 38 SER C C 38 173.807 173.668 0.139 1
1 359 . 6 1 1 A 38 38 SER CA C 38 57.574 57.456 0.118 1
1 360 . 6 1 1 A 38 38 SER CB C 38 67.003 65.907 1.096 1
1 361 . 6 1 1 A 38 38 SER N N 38 112.872 117.840 -4.968 1
1 362 . 6 1 1 A 39 39 VAL H H 39 8.812 8.819 -0.007 1
1 363 . 6 1 1 A 39 39 VAL HA H 39 5.117 5.152 -0.035 1
1 371 . 6 1 1 A 39 39 VAL C C 39 174.519 173.238 1.281 1
1 372 . 6 1 1 A 39 39 VAL CA C 39 59.085 59.078 0.007 1
1 373 . 6 1 1 A 39 39 VAL CB C 39 34.476 35.480 -1.004 1
1 376 . 6 1 1 A 39 39 VAL N N 39 111.961 116.481 -4.520 1
1 377 . 6 1 1 A 40 40 TYR H H 40 9.366 9.615 -0.249 1
1 378 . 6 1 1 A 40 40 TYR HA H 40 5.108 5.617 -0.509 1
1 385 . 6 1 1 A 40 40 TYR C C 40 172.976 173.852 -0.876 1
1 386 . 6 1 1 A 40 40 TYR CA C 40 56.633 55.862 0.771 1
1 387 . 6 1 1 A 40 40 TYR CB C 40 41.058 41.453 -0.395 1
1 390 . 6 1 1 A 40 40 TYR N N 40 123.743 124.769 -1.026 1
1 391 . 6 1 1 A 41 41 VAL H H 41 8.734 9.277 -0.543 1
1 392 . 6 1 1 A 41 41 VAL HA H 41 4.876 4.438 0.438 1
1 400 . 6 1 1 A 41 41 VAL C C 41 174.651 175.042 -0.391 1
1 401 . 6 1 1 A 41 41 VAL CA C 41 59.798 60.658 -0.860 1
1 402 . 6 1 1 A 41 41 VAL CB C 41 33.329 32.604 0.725 1
1 405 . 6 1 1 A 41 41 VAL N N 41 127.436 127.393 0.043 1
1 406 . 6 1 1 A 42 42 GLY H H 42 9.669 8.737 0.932 1
1 407 . 6 1 1 A 42 42 GLY HA2 H 42 3.612 3.918 -0.306 1
1 408 . 6 1 1 A 42 42 GLY HA3 H 42 4.392 4.022 0.370 1
1 409 . 6 1 1 A 42 42 GLY C C 42 173.639 174.561 -0.922 1
1 410 . 6 1 1 A 42 42 GLY CA C 42 44.169 43.762 0.407 1
1 411 . 6 1 1 A 42 42 GLY N N 42 113.263 115.044 -1.781 1
1 412 . 6 1 1 A 43 43 ASN H H 43 8.412 9.030 -0.618 1
1 413 . 6 1 1 A 43 43 ASN HA H 43 4.510 4.628 -0.118 1
1 418 . 6 1 1 A 43 43 ASN C C 43 174.364 174.718 -0.354 1
1 419 . 6 1 1 A 43 43 ASN CA C 43 53.557 54.628 -1.071 1
1 420 . 6 1 1 A 43 43 ASN CB C 43 37.283 38.270 -0.987 1
1 421 . 6 1 1 A 43 43 ASN N N 43 115.451 118.827 -3.376 1
1 423 . 6 1 1 A 44 44 VAL H H 44 7.083 7.775 -0.692 1
1 424 . 6 1 1 A 44 44 VAL HA H 44 3.975 4.229 -0.254 1
1 432 . 6 1 1 A 44 44 VAL C C 44 175.885 175.124 0.761 1
1 433 . 6 1 1 A 44 44 VAL CA C 44 61.614 62.135 -0.521 1
1 434 . 6 1 1 A 44 44 VAL CB C 44 32.914 31.510 1.404 1
1 437 . 6 1 1 A 44 44 VAL N N 44 115.399 121.439 -6.040 1
1 438 . 6 1 1 A 45 45 ASP H H 45 8.305 8.739 -0.434 1
1 439 . 6 1 1 A 45 45 ASP HA H 45 4.467 4.807 -0.340 1
1 442 . 6 1 1 A 45 45 ASP C C 45 177.205 177.417 -0.212 1
1 443 . 6 1 1 A 45 45 ASP CA C 45 54.613 54.215 0.398 1
1 444 . 6 1 1 A 45 45 ASP CB C 45 43.657 42.066 1.591 1
1 445 . 6 1 1 A 45 45 ASP N N 45 124.440 130.317 -5.877 1
1 446 . 6 1 1 A 46 46 TYR H H 46 8.715 9.043 -0.328 1
1 447 . 6 1 1 A 46 46 TYR HA H 46 4.483 4.099 0.384 1
1 454 . 6 1 1 A 46 46 TYR C C 46 175.453 177.995 -2.542 1
1 455 . 6 1 1 A 46 46 TYR CA C 46 59.464 61.460 -1.996 1
1 456 . 6 1 1 A 46 46 TYR CB C 46 38.753 39.200 -0.447 1
1 458 . 6 1 1 A 46 46 TYR N N 46 125.588 123.567 2.021 1
1 459 . 6 1 1 A 47 47 GLY H H 47 8.387 8.319 0.068 1
1 460 . 6 1 1 A 47 47 GLY HA2 H 47 3.561 3.956 -0.395 1
1 461 . 6 1 1 A 47 47 GLY HA3 H 47 4.348 4.017 0.331 1
1 462 . 6 1 1 A 47 47 GLY C C 47 173.578 174.193 -0.615 1
1 463 . 6 1 1 A 47 47 GLY CA C 47 44.965 45.449 -0.484 1
1 464 . 6 1 1 A 47 47 GLY N N 47 106.974 106.089 0.885 1
1 465 . 6 1 1 A 48 48 SER H H 48 7.417 8.127 -0.710 1
1 466 . 6 1 1 A 48 48 SER HA H 48 4.428 4.476 -0.048 1
1 468 . 6 1 1 A 48 48 SER C C 48 173.220 174.528 -1.308 1
1 469 . 6 1 1 A 48 48 SER CA C 48 59.892 59.403 0.489 1
1 470 . 6 1 1 A 48 48 SER CB C 48 64.519 63.867 0.652 1
1 471 . 6 1 1 A 48 48 SER N N 48 115.423 116.246 -0.823 1
1 472 . 6 1 1 A 49 49 THR H H 49 8.474 8.584 -0.110 1
1 473 . 6 1 1 A 49 49 THR HA H 49 4.660 4.676 -0.016 1
1 478 . 6 1 1 A 49 49 THR C C 49 175.940 175.620 0.320 1
1 479 . 6 1 1 A 49 49 THR CA C 49 58.831 60.349 -1.518 1
1 480 . 6 1 1 A 49 49 THR CB C 49 72.585 71.415 1.170 1
1 482 . 6 1 1 A 49 49 THR N N 49 112.103 115.929 -3.826 1
1 483 . 6 1 1 A 50 50 ALA H H 50 9.723 9.097 0.626 1
1 484 . 6 1 1 A 50 50 ALA HA H 50 3.923 3.993 -0.070 1
1 488 . 6 1 1 A 50 50 ALA C C 50 179.045 179.762 -0.717 1
1 489 . 6 1 1 A 50 50 ALA CA C 50 55.643 55.395 0.248 1
1 490 . 6 1 1 A 50 50 ALA CB C 50 18.259 18.022 0.237 1
1 491 . 6 1 1 A 50 50 ALA N N 50 123.988 125.010 -1.022 1
1 492 . 6 1 1 A 51 51 GLN H H 51 7.730 8.111 -0.381 1
1 493 . 6 1 1 A 51 51 GLN HA H 51 3.940 4.001 -0.061 1
1 500 . 6 1 1 A 51 51 GLN C C 51 178.215 177.893 0.322 1
1 501 . 6 1 1 A 51 51 GLN CA C 51 59.096 58.596 0.500 1
1 502 . 6 1 1 A 51 51 GLN CB C 51 28.508 28.376 0.132 1
1 504 . 6 1 1 A 51 51 GLN N N 51 116.375 118.088 -1.713 1
1 505 . 6 1 1 A 52 52 ASP H H 52 8.273 8.162 0.111 1
1 506 . 6 1 1 A 52 52 ASP HA H 52 4.587 4.416 0.171 1
1 507 . 6 1 1 A 52 52 ASP C C 52 179.837 178.432 1.405 1
1 508 . 6 1 1 A 52 52 ASP CA C 52 57.556 57.474 0.082 1
1 509 . 6 1 1 A 52 52 ASP CB C 52 41.057 42.196 -1.139 1
1 510 . 6 1 1 A 52 52 ASP N N 52 120.755 119.998 0.757 1
1 511 . 6 1 1 A 53 53 LEU H H 53 7.855 7.726 0.129 1
1 512 . 6 1 1 A 53 53 LEU HA H 53 3.933 4.391 -0.458 1
1 522 . 6 1 1 A 53 53 LEU C C 53 178.463 178.311 0.152 1
1 523 . 6 1 1 A 53 53 LEU CA C 53 58.367 58.058 0.309 1
1 524 . 6 1 1 A 53 53 LEU CB C 53 42.646 41.704 0.942 1
1 528 . 6 1 1 A 53 53 LEU N N 53 122.035 120.545 1.490 1
1 529 . 6 1 1 A 54 54 GLU H H 54 8.804 9.194 -0.390 1
1 530 . 6 1 1 A 54 54 GLU HA H 54 3.745 4.005 -0.260 1
1 534 . 6 1 1 A 54 54 GLU C C 54 178.467 178.499 -0.032 1
1 535 . 6 1 1 A 54 54 GLU CA C 54 59.833 59.825 0.008 1
1 536 . 6 1 1 A 54 54 GLU CB C 54 29.238 29.593 -0.355 1
1 538 . 6 1 1 A 54 54 GLU N N 54 120.472 119.296 1.176 1
1 539 . 6 1 1 A 55 55 ALA H H 55 8.098 8.054 0.044 1
1 540 . 6 1 1 A 55 55 ALA HA H 55 4.249 4.191 0.058 1
1 544 . 6 1 1 A 55 55 ALA C C 55 180.711 179.876 0.835 1
1 545 . 6 1 1 A 55 55 ALA CA C 55 55.077 54.925 0.152 1
1 546 . 6 1 1 A 55 55 ALA CB C 55 18.164 17.914 0.250 1
1 547 . 6 1 1 A 55 55 ALA N N 55 119.302 122.276 -2.974 1
1 548 . 6 1 1 A 56 56 HIS H H 56 7.927 7.616 0.311 1
1 549 . 6 1 1 A 56 56 HIS HA H 56 4.281 4.293 -0.012 1
1 553 . 6 1 1 A 56 56 HIS C C 56 176.342 177.041 -0.699 1
1 554 . 6 1 1 A 56 56 HIS CA C 56 59.362 59.269 0.093 1
1 555 . 6 1 1 A 56 56 HIS CB C 56 31.200 29.739 1.461 1
1 556 . 6 1 1 A 56 56 HIS N N 56 117.016 118.164 -1.148 1
1 557 . 6 1 1 A 57 57 PHE H H 57 7.811 7.964 -0.153 1
1 558 . 6 1 1 A 57 57 PHE HA H 57 4.554 4.447 0.107 1
1 565 . 6 1 1 A 57 57 PHE C C 57 177.301 178.051 -0.750 1
1 566 . 6 1 1 A 57 57 PHE CA C 57 59.480 61.822 -2.342 1
1 567 . 6 1 1 A 57 57 PHE CB C 57 40.432 38.968 1.464 1
1 571 . 6 1 1 A 57 57 PHE N N 57 111.423 115.671 -4.248 1
1 572 . 6 1 1 A 58 58 SER H H 58 8.126 8.562 -0.436 1
1 573 . 6 1 1 A 58 58 SER HA H 58 4.468 4.298 0.170 1
1 575 . 6 1 1 A 58 58 SER C C 58 176.676 177.401 -0.725 1
1 576 . 6 1 1 A 58 58 SER CA C 58 62.159 61.664 0.495 1
1 577 . 6 1 1 A 58 58 SER N N 58 118.439 116.099 2.340 1
1 578 . 6 1 1 A 59 59 SER H H 59 8.422 7.661 0.761 1
1 579 . 6 1 1 A 59 59 SER HA H 59 4.291 4.282 0.009 1
1 581 . 6 1 1 A 59 59 SER C C 59 175.955 175.034 0.921 1
1 582 . 6 1 1 A 59 59 SER CA C 59 60.277 61.305 -1.028 1
1 583 . 6 1 1 A 59 59 SER CB C 59 62.444 63.060 -0.616 1
1 584 . 6 1 1 A 59 59 SER N N 59 116.618 116.303 0.315 1
1 585 . 6 1 1 A 60 60 CYS H H 60 8.226 8.092 0.134 1
1 586 . 6 1 1 A 60 60 CYS HA H 60 4.067 4.451 -0.384 1
1 589 . 6 1 1 A 60 60 CYS C C 60 174.682 174.412 0.270 1
1 590 . 6 1 1 A 60 60 CYS CA C 60 60.683 59.779 0.904 1
1 591 . 6 1 1 A 60 60 CYS CB C 60 28.894 28.327 0.567 1
1 592 . 6 1 1 A 60 60 CYS N N 60 118.900 117.663 1.237 1
1 593 . 6 1 1 A 61 61 GLY H H 61 7.414 7.197 0.217 1
1 594 . 6 1 1 A 61 61 GLY HA2 H 61 3.887 3.989 -0.102 1
1 595 . 6 1 1 A 61 61 GLY HA3 H 61 4.489 4.072 0.417 1
1 596 . 6 1 1 A 61 61 GLY C C 61 171.619 172.123 -0.504 1
1 597 . 6 1 1 A 61 61 GLY CA C 61 44.000 45.051 -1.051 1
1 598 . 6 1 1 A 61 61 GLY N N 61 106.320 108.631 -2.311 1
1 599 . 6 1 1 A 62 62 SER H H 62 8.182 8.514 -0.332 1
1 600 . 6 1 1 A 62 62 SER HA H 62 4.420 5.135 -0.715 1
1 603 . 6 1 1 A 62 62 SER C C 62 175.295 174.286 1.009 1
1 604 . 6 1 1 A 62 62 SER CA C 62 59.839 58.520 1.319 1
1 605 . 6 1 1 A 62 62 SER CB C 62 63.617 63.925 -0.308 1
1 606 . 6 1 1 A 62 62 SER N N 62 112.485 117.225 -4.740 1
1 607 . 6 1 1 A 63 63 ILE H H 63 8.857 9.069 -0.212 1
1 608 . 6 1 1 A 63 63 ILE HA H 63 4.007 4.130 -0.123 1
1 618 . 6 1 1 A 63 63 ILE C C 63 175.045 175.716 -0.671 1
1 619 . 6 1 1 A 63 63 ILE CA C 63 61.979 61.842 0.137 1
1 620 . 6 1 1 A 63 63 ILE CB C 63 41.048 37.955 3.093 1
1 624 . 6 1 1 A 63 63 ILE N N 63 127.966 127.151 0.815 1
1 625 . 6 1 1 A 64 64 ASN H H 64 8.897 9.265 -0.368 1
1 626 . 6 1 1 A 64 64 ASN HA H 64 4.667 5.008 -0.341 1
1 631 . 6 1 1 A 64 64 ASN C C 64 174.686 175.404 -0.718 1
1 632 . 6 1 1 A 64 64 ASN CA C 64 53.627 54.822 -1.195 1
1 633 . 6 1 1 A 64 64 ASN CB C 64 40.062 40.615 -0.553 1
1 634 . 6 1 1 A 64 64 ASN N N 64 124.997 126.140 -1.143 1
1 636 . 6 1 1 A 65 65 ARG H H 65 7.419 7.366 0.053 1
1 637 . 6 1 1 A 65 65 ARG HA H 65 5.155 4.889 0.266 1
1 645 . 6 1 1 A 65 65 ARG C C 65 173.788 174.328 -0.540 1
1 646 . 6 1 1 A 65 65 ARG CA C 65 55.703 54.802 0.901 1
1 647 . 6 1 1 A 65 65 ARG CB C 65 35.408 35.228 0.180 1
1 650 . 6 1 1 A 65 65 ARG N N 65 116.737 116.590 0.147 1
1 652 . 6 1 1 A 66 66 ILE H H 66 8.681 8.664 0.017 1
1 653 . 6 1 1 A 66 66 ILE HA H 66 4.574 5.127 -0.553 1
1 663 . 6 1 1 A 66 66 ILE C C 66 173.717 174.359 -0.642 1
1 664 . 6 1 1 A 66 66 ILE CA C 66 61.049 59.130 1.919 1
1 665 . 6 1 1 A 66 66 ILE CB C 66 42.988 42.022 0.966 1
1 669 . 6 1 1 A 66 66 ILE N N 66 123.359 117.414 5.945 1
1 670 . 6 1 1 A 67 67 THR H H 67 8.861 9.105 -0.244 1
1 671 . 6 1 1 A 67 67 THR HA H 67 5.378 5.007 0.371 1
1 676 . 6 1 1 A 67 67 THR C C 67 173.526 173.422 0.104 1
1 677 . 6 1 1 A 67 67 THR CA C 67 61.112 61.974 -0.862 1
1 678 . 6 1 1 A 67 67 THR CB C 67 70.857 70.787 0.070 1
1 680 . 6 1 1 A 67 67 THR N N 67 124.375 119.390 4.985 1
1 681 . 6 1 1 A 68 68 ILE H H 68 9.768 9.159 0.609 1
1 682 . 6 1 1 A 68 68 ILE HA H 68 4.333 4.756 -0.423 1
1 692 . 6 1 1 A 68 68 ILE C C 68 173.743 174.746 -1.003 1
1 693 . 6 1 1 A 68 68 ILE CA C 68 61.237 59.696 1.541 1
1 694 . 6 1 1 A 68 68 ILE CB C 68 40.908 39.754 1.154 1
1 698 . 6 1 1 A 68 68 ILE N N 68 127.340 128.777 -1.437 1
1 699 . 6 1 1 A 69 69 LEU H H 69 9.045 9.097 -0.052 1
1 700 . 6 1 1 A 69 69 LEU HA H 69 5.074 5.008 0.066 1
1 710 . 6 1 1 A 69 69 LEU C C 69 175.502 175.023 0.479 1
1 711 . 6 1 1 A 69 69 LEU CA C 69 55.186 52.970 2.216 1
1 712 . 6 1 1 A 69 69 LEU CB C 69 42.702 44.410 -1.708 1
1 716 . 6 1 1 A 69 69 LEU N N 69 128.686 125.099 3.587 1
1 717 . 6 1 1 A 70 70 CYS H H 70 8.767 8.891 -0.124 1
1 718 . 6 1 1 A 70 70 CYS HA H 70 5.237 5.719 -0.482 1
1 720 . 6 1 1 A 70 70 CYS C C 70 173.558 173.075 0.483 1
1 721 . 6 1 1 A 70 70 CYS CA C 70 57.609 56.217 1.392 1
1 722 . 6 1 1 A 70 70 CYS CB C 70 29.830 30.230 -0.400 1
1 723 . 6 1 1 A 70 70 CYS N N 70 120.856 121.786 -0.930 1
1 724 . 6 1 1 A 71 71 ASP H H 71 9.109 8.998 0.111 1
1 725 . 6 1 1 A 71 71 ASP HA H 71 5.193 5.298 -0.105 1
1 728 . 6 1 1 A 71 71 ASP C C 71 175.440 175.425 0.015 1
1 729 . 6 1 1 A 71 71 ASP CA C 71 53.705 51.773 1.932 1
1 730 . 6 1 1 A 71 71 ASP CB C 71 44.774 44.561 0.213 1
1 731 . 6 1 1 A 71 71 ASP N N 71 124.936 122.571 2.365 1
1 732 . 6 1 1 A 72 72 LYS H H 72 8.262 8.764 -0.502 1
1 733 . 6 1 1 A 72 72 LYS HA H 72 4.553 4.693 -0.140 1
1 740 . 6 1 1 A 72 72 LYS C C 72 177.732 176.807 0.925 1
1 741 . 6 1 1 A 72 72 LYS CA C 72 55.608 55.737 -0.129 1
1 742 . 6 1 1 A 72 72 LYS CB C 72 32.469 32.717 -0.248 1
1 745 . 6 1 1 A 72 72 LYS N N 72 120.339 117.869 2.470 1
1 746 . 6 1 1 A 73 73 PHE H H 73 8.663 7.626 1.037 1
1 747 . 6 1 1 A 73 73 PHE HA H 73 4.357 4.376 -0.019 1
1 752 . 6 1 1 A 73 73 PHE C C 73 177.148 175.989 1.159 1
1 753 . 6 1 1 A 73 73 PHE CA C 73 60.214 59.627 0.587 1
1 754 . 6 1 1 A 73 73 PHE CB C 73 39.157 37.779 1.378 1
1 756 . 6 1 1 A 73 73 PHE N N 73 121.961 120.192 1.769 1
1 757 . 6 1 1 A 74 74 SER H H 74 8.780 7.765 1.015 1
1 758 . 6 1 1 A 74 74 SER HA H 74 4.353 4.535 -0.182 1
1 760 . 6 1 1 A 74 74 SER C C 74 174.810 175.589 -0.779 1
1 761 . 6 1 1 A 74 74 SER CA C 74 58.965 58.696 0.269 1
1 762 . 6 1 1 A 74 74 SER CB C 74 63.650 63.403 0.247 1
1 763 . 6 1 1 A 74 74 SER N N 74 114.021 111.409 2.612 1
1 764 . 6 1 1 A 75 75 GLY H H 75 8.004 8.287 -0.283 1
1 765 . 6 1 1 A 75 75 GLY HA2 H 75 3.635 3.800 -0.165 1
1 766 . 6 1 1 A 75 75 GLY HA3 H 75 4.221 3.893 0.328 1
1 767 . 6 1 1 A 75 75 GLY C C 75 173.254 174.028 -0.774 1
1 768 . 6 1 1 A 75 75 GLY CA C 75 45.162 45.156 0.006 1
1 769 . 6 1 1 A 75 75 GLY N N 75 108.714 110.460 -1.746 1
1 770 . 6 1 1 A 76 76 HIS H H 76 7.670 7.878 -0.208 1
1 771 . 6 1 1 A 76 76 HIS HA H 76 5.020 4.679 0.341 1
1 775 . 6 1 1 A 76 76 HIS CA C 76 52.522 54.052 -1.530 1
1 776 . 6 1 1 A 76 76 HIS CB C 76 29.410 30.694 -1.284 1
1 777 . 6 1 1 A 76 76 HIS N N 76 118.164 119.193 -1.029 1
1 778 . 6 1 1 A 77 77 PRO HA H 77 4.551 5.062 -0.511 1
1 784 . 6 1 1 A 77 77 PRO C C 77 176.458 176.034 0.424 1
1 785 . 6 1 1 A 77 77 PRO CA C 77 63.263 62.904 0.359 1
1 786 . 6 1 1 A 77 77 PRO CB C 77 32.077 31.464 0.613 1
1 789 . 6 1 1 A 78 78 LYS H H 78 8.846 8.949 -0.103 1
1 790 . 6 1 1 A 78 78 LYS HA H 78 4.772 5.092 -0.320 1
1 796 . 6 1 1 A 78 78 LYS CA C 78 55.964 54.501 1.463 1
1 797 . 6 1 1 A 78 78 LYS CB C 78 35.816 36.039 -0.223 1
1 799 . 6 1 1 A 78 78 LYS N N 78 124.197 122.811 1.386 1
1 800 . 6 1 1 A 79 79 GLY H H 79 8.352 8.609 -0.257 1
1 801 . 6 1 1 A 79 79 GLY HA2 H 79 3.871 4.078 -0.207 1
1 802 . 6 1 1 A 79 79 GLY HA3 H 79 5.451 4.200 1.251 1
1 803 . 6 1 1 A 79 79 GLY C C 79 173.400 172.250 1.150 1
1 804 . 6 1 1 A 79 79 GLY CA C 79 45.189 44.166 1.023 1
1 805 . 6 1 1 A 79 79 GLY N N 79 109.568 109.883 -0.315 1
1 806 . 6 1 1 A 80 80 TYR H H 80 8.856 8.277 0.579 1
1 807 . 6 1 1 A 80 80 TYR HA H 80 4.940 5.262 -0.322 1
1 814 . 6 1 1 A 80 80 TYR C C 80 171.720 172.904 -1.184 1
1 815 . 6 1 1 A 80 80 TYR CA C 80 56.267 56.425 -0.158 1
1 816 . 6 1 1 A 80 80 TYR CB C 80 40.003 41.724 -1.721 1
1 818 . 6 1 1 A 80 80 TYR N N 80 120.052 118.738 1.314 1
1 819 . 6 1 1 A 81 81 ALA H H 81 9.215 8.834 0.381 1
1 820 . 6 1 1 A 81 81 ALA HA H 81 5.386 5.247 0.139 1
1 824 . 6 1 1 A 81 81 ALA C C 81 175.357 175.615 -0.258 1
1 825 . 6 1 1 A 81 81 ALA CA C 81 50.089 50.409 -0.320 1
1 826 . 6 1 1 A 81 81 ALA CB C 81 24.030 23.526 0.504 1
1 827 . 6 1 1 A 81 81 ALA N N 81 120.138 121.750 -1.612 1
1 828 . 6 1 1 A 82 82 TYR H H 82 8.974 9.009 -0.035 1
1 829 . 6 1 1 A 82 82 TYR HA H 82 5.885 5.747 0.138 1
1 836 . 6 1 1 A 82 82 TYR C C 82 176.232 174.566 1.666 1
1 837 . 6 1 1 A 82 82 TYR CA C 82 55.626 56.436 -0.810 1
1 838 . 6 1 1 A 82 82 TYR CB C 82 41.536 40.930 0.606 1
1 839 . 6 1 1 A 82 82 TYR N N 82 114.621 118.548 -3.927 1
1 840 . 6 1 1 A 83 83 ILE H H 83 8.644 8.953 -0.309 1
1 841 . 6 1 1 A 83 83 ILE HA H 83 4.275 4.462 -0.187 1
1 851 . 6 1 1 A 83 83 ILE C C 83 173.516 174.607 -1.091 1
1 852 . 6 1 1 A 83 83 ILE CA C 83 60.345 59.994 0.351 1
1 853 . 6 1 1 A 83 83 ILE CB C 83 39.535 39.046 0.489 1
1 857 . 6 1 1 A 83 83 ILE N N 83 122.447 123.863 -1.416 1
1 858 . 6 1 1 A 84 84 GLU H H 84 8.612 8.966 -0.354 1
1 859 . 6 1 1 A 84 84 GLU HA H 84 4.801 4.711 0.090 1
1 862 . 6 1 1 A 84 84 GLU C C 84 176.111 175.582 0.529 1
1 863 . 6 1 1 A 84 84 GLU CA C 84 54.496 55.535 -1.039 1
1 864 . 6 1 1 A 84 84 GLU CB C 84 31.499 30.662 0.837 1
1 865 . 6 1 1 A 84 84 GLU N N 84 127.346 126.995 0.351 1
1 866 . 6 1 1 A 85 85 PHE H H 85 9.087 9.075 0.012 1
1 867 . 6 1 1 A 85 85 PHE HA H 85 4.817 5.130 -0.313 1
1 875 . 6 1 1 A 85 85 PHE C C 85 174.422 176.432 -2.010 1
1 876 . 6 1 1 A 85 85 PHE CA C 85 59.072 57.407 1.665 1
1 877 . 6 1 1 A 85 85 PHE CB C 85 40.765 41.688 -0.923 1
1 878 . 6 1 1 A 85 85 PHE N N 85 128.049 123.295 4.754 1
1 879 . 6 1 1 A 86 86 ALA H H 86 8.192 9.316 -1.124 1
1 880 . 6 1 1 A 86 86 ALA HA H 86 4.239 4.437 -0.198 1
1 884 . 6 1 1 A 86 86 ALA C C 86 178.143 177.477 0.666 1
1 885 . 6 1 1 A 86 86 ALA CA C 86 54.524 53.752 0.772 1
1 886 . 6 1 1 A 86 86 ALA CB C 86 19.510 19.672 -0.162 1
1 887 . 6 1 1 A 86 86 ALA N N 86 120.669 122.790 -2.121 1
1 888 . 6 1 1 A 87 87 GLU H H 87 8.455 7.860 0.595 1
1 889 . 6 1 1 A 87 87 GLU HA H 87 4.765 4.827 -0.062 1
1 893 . 6 1 1 A 87 87 GLU C C 87 176.472 176.708 -0.236 1
1 894 . 6 1 1 A 87 87 GLU CA C 87 54.353 55.078 -0.725 1
1 895 . 6 1 1 A 87 87 GLU CB C 87 32.624 32.783 -0.159 1
1 897 . 6 1 1 A 87 87 GLU N N 87 114.204 116.956 -2.752 1
1 898 . 6 1 1 A 88 88 ARG H H 88 8.917 9.048 -0.131 1
1 899 . 6 1 1 A 88 88 ARG HA H 88 3.961 3.999 -0.038 1
1 905 . 6 1 1 A 88 88 ARG C C 88 178.900 178.373 0.527 1
1 906 . 6 1 1 A 88 88 ARG CA C 88 59.548 59.670 -0.122 1
1 907 . 6 1 1 A 88 88 ARG CB C 88 30.073 29.840 0.233 1
1 910 . 6 1 1 A 88 88 ARG N N 88 121.592 123.958 -2.366 1
1 911 . 6 1 1 A 89 89 ASN H H 89 8.845 8.039 0.806 1
1 912 . 6 1 1 A 89 89 ASN HA H 89 4.497 4.413 0.084 1
1 916 . 6 1 1 A 89 89 ASN C C 89 177.179 177.694 -0.515 1
1 917 . 6 1 1 A 89 89 ASN CA C 89 55.861 55.925 -0.064 1
1 918 . 6 1 1 A 89 89 ASN CB C 89 37.330 37.873 -0.543 1
1 919 . 6 1 1 A 89 89 ASN N N 89 116.555 118.457 -1.902 1
1 921 . 6 1 1 A 90 90 SER H H 90 7.513 8.003 -0.490 1
1 922 . 6 1 1 A 90 90 SER HA H 90 4.006 4.196 -0.190 1
1 925 . 6 1 1 A 90 90 SER C C 90 174.511 175.895 -1.384 1
1 926 . 6 1 1 A 90 90 SER CA C 90 61.395 62.253 -0.858 1
1 927 . 6 1 1 A 90 90 SER CB C 90 63.424 62.610 0.814 1
1 928 . 6 1 1 A 90 90 SER N N 90 116.007 117.068 -1.061 1
1 929 . 6 1 1 A 91 91 VAL H H 91 7.653 7.792 -0.139 1
1 930 . 6 1 1 A 91 91 VAL HA H 91 3.201 3.695 -0.494 1
1 938 . 6 1 1 A 91 91 VAL C C 91 176.991 177.843 -0.852 1
1 939 . 6 1 1 A 91 91 VAL CA C 91 66.851 65.464 1.387 1
1 940 . 6 1 1 A 91 91 VAL CB C 91 31.599 31.576 0.023 1
1 943 . 6 1 1 A 91 91 VAL N N 91 119.934 119.222 0.712 1
1 944 . 6 1 1 A 92 92 ASP H H 92 7.192 7.974 -0.782 1
1 945 . 6 1 1 A 92 92 ASP HA H 92 4.321 4.322 -0.001 1
1 947 . 6 1 1 A 92 92 ASP C C 92 178.585 178.522 0.063 1
1 948 . 6 1 1 A 92 92 ASP CA C 92 57.401 57.319 0.082 1
1 949 . 6 1 1 A 92 92 ASP CB C 92 40.078 39.994 0.084 1
1 950 . 6 1 1 A 92 92 ASP N N 92 117.084 122.441 -5.357 1
1 951 . 6 1 1 A 93 93 ALA H H 93 6.946 7.769 -0.823 1
1 952 . 6 1 1 A 93 93 ALA HA H 93 4.186 4.194 -0.008 1
1 956 . 6 1 1 A 93 93 ALA C C 93 179.272 179.891 -0.619 1
1 957 . 6 1 1 A 93 93 ALA CA C 93 54.445 54.740 -0.295 1
1 958 . 6 1 1 A 93 93 ALA CB C 93 18.164 18.245 -0.081 1
1 959 . 6 1 1 A 93 93 ALA N N 93 121.045 122.552 -1.507 1
1 960 . 6 1 1 A 94 94 ALA H H 94 8.033 8.016 0.017 1
1 961 . 6 1 1 A 94 94 ALA HA H 94 4.545 4.251 0.294 1
1 965 . 6 1 1 A 94 94 ALA C C 94 180.529 179.618 0.911 1
1 966 . 6 1 1 A 94 94 ALA CA C 94 55.518 55.243 0.275 1
1 967 . 6 1 1 A 94 94 ALA CB C 94 19.455 18.633 0.822 1
1 968 . 6 1 1 A 94 94 ALA N N 94 122.191 121.031 1.160 1
1 969 . 6 1 1 A 95 95 VAL H H 95 8.565 8.595 -0.030 1
1 970 . 6 1 1 A 95 95 VAL HA H 95 3.741 3.935 -0.194 1
1 978 . 6 1 1 A 95 95 VAL C C 95 178.767 177.953 0.814 1
1 979 . 6 1 1 A 95 95 VAL CA C 95 65.820 64.695 1.125 1
1 980 . 6 1 1 A 95 95 VAL CB C 95 31.501 31.470 0.031 1
1 983 . 6 1 1 A 95 95 VAL N N 95 117.405 116.319 1.086 1
1 984 . 6 1 1 A 96 96 ALA H H 96 7.354 7.431 -0.077 1
1 985 . 6 1 1 A 96 96 ALA HA H 96 4.403 4.211 0.192 1
1 989 . 6 1 1 A 96 96 ALA C C 96 178.242 177.997 0.245 1
1 990 . 6 1 1 A 96 96 ALA CA C 96 53.916 53.994 -0.078 1
1 991 . 6 1 1 A 96 96 ALA CB C 96 17.841 18.370 -0.529 1
1 992 . 6 1 1 A 96 96 ALA N N 96 122.769 123.740 -0.971 1
1 993 . 6 1 1 A 97 97 MET H H 97 7.980 7.877 0.103 1
1 994 . 6 1 1 A 97 97 MET HA H 97 4.471 4.632 -0.161 1
1 1002 . 6 1 1 A 97 97 MET C C 97 175.959 177.142 -1.183 1
1 1003 . 6 1 1 A 97 97 MET CA C 97 55.150 54.501 0.649 1
1 1004 . 6 1 1 A 97 97 MET CB C 97 31.663 32.836 -1.173 1
1 1007 . 6 1 1 A 97 97 MET N N 97 115.573 117.003 -1.430 1
1 1008 . 6 1 1 A 98 98 ASP H H 98 7.852 8.233 -0.381 1
1 1009 . 6 1 1 A 98 98 ASP HA H 98 4.422 4.459 -0.037 1
1 1012 . 6 1 1 A 98 98 ASP C C 98 175.976 176.345 -0.369 1
1 1013 . 6 1 1 A 98 98 ASP CA C 98 57.476 57.229 0.247 1
1 1014 . 6 1 1 A 98 98 ASP CB C 98 42.008 40.680 1.328 1
1 1015 . 6 1 1 A 98 98 ASP N N 98 121.576 119.153 2.423 1
1 1016 . 6 1 1 A 99 99 GLU H H 99 8.643 7.845 0.798 1
1 1017 . 6 1 1 A 99 99 GLU HA H 99 4.154 4.992 -0.838 1
1 1022 . 6 1 1 A 99 99 GLU C C 99 176.369 175.386 0.983 1
1 1023 . 6 1 1 A 99 99 GLU CA C 99 58.403 55.162 3.241 1
1 1024 . 6 1 1 A 99 99 GLU CB C 99 26.214 30.935 -4.721 1
1 1026 . 6 1 1 A 99 99 GLU N N 99 119.455 118.776 0.679 1
1 1027 . 6 1 1 A 100 100 THR H H 100 7.416 8.813 -1.397 1
1 1028 . 6 1 1 A 100 100 THR HA H 100 4.498 4.914 -0.416 1
1 1033 . 6 1 1 A 100 100 THR C C 100 172.876 171.668 1.208 1
1 1034 . 6 1 1 A 100 100 THR CA C 100 61.065 60.022 1.043 1
1 1035 . 6 1 1 A 100 100 THR CB C 100 72.140 70.980 1.160 1
1 1037 . 6 1 1 A 100 100 THR N N 100 107.670 120.687 -13.017 1
1 1038 . 6 1 1 A 101 101 VAL H H 101 8.252 8.874 -0.622 1
1 1039 . 6 1 1 A 101 101 VAL HA H 101 4.638 5.119 -0.481 1
1 1047 . 6 1 1 A 101 101 VAL C C 101 176.138 174.145 1.993 1
1 1048 . 6 1 1 A 101 101 VAL CA C 101 62.299 60.071 2.228 1
1 1049 . 6 1 1 A 101 101 VAL CB C 101 32.215 34.237 -2.022 1
1 1052 . 6 1 1 A 101 101 VAL N N 101 118.227 122.463 -4.236 1
1 1053 . 6 1 1 A 102 102 PHE H H 102 9.300 9.500 -0.200 1
1 1054 . 6 1 1 A 102 102 PHE HA H 102 4.671 4.823 -0.152 1
1 1061 . 6 1 1 A 102 102 PHE C C 102 174.216 174.872 -0.656 1
1 1062 . 6 1 1 A 102 102 PHE CA C 102 56.205 57.236 -1.031 1
1 1063 . 6 1 1 A 102 102 PHE CB C 102 41.707 41.585 0.122 1
1 1064 . 6 1 1 A 102 102 PHE N N 102 128.863 130.297 -1.434 1
1 1065 . 6 1 1 A 103 103 ARG H H 103 9.167 9.404 -0.237 1
1 1066 . 6 1 1 A 103 103 ARG HA H 103 3.389 3.751 -0.362 1
1 1075 . 6 1 1 A 103 103 ARG C C 103 176.014 176.293 -0.279 1
1 1076 . 6 1 1 A 103 103 ARG CA C 103 57.215 57.012 0.203 1
1 1077 . 6 1 1 A 103 103 ARG CB C 103 27.382 27.663 -0.281 1
1 1080 . 6 1 1 A 103 103 ARG N N 103 128.268 128.237 0.031 1
1 1082 . 6 1 1 A 104 104 GLY H H 104 8.005 8.494 -0.489 1
1 1083 . 6 1 1 A 104 104 GLY HA2 H 104 4.006 3.815 0.191 1
1 1084 . 6 1 1 A 104 104 GLY HA3 H 104 3.455 3.817 -0.362 1
1 1085 . 6 1 1 A 104 104 GLY C C 104 173.766 173.563 0.203 1
1 1086 . 6 1 1 A 104 104 GLY CA C 104 45.598 45.425 0.173 1
1 1087 . 6 1 1 A 104 104 GLY N N 104 101.324 104.778 -3.454 1
1 1088 . 6 1 1 A 105 105 ARG H H 105 7.681 7.446 0.235 1
1 1089 . 6 1 1 A 105 105 ARG HA H 105 4.735 4.920 -0.185 1
1 1097 . 6 1 1 A 105 105 ARG C C 105 174.543 174.825 -0.282 1
1 1098 . 6 1 1 A 105 105 ARG CA C 105 54.071 54.059 0.012 1
1 1099 . 6 1 1 A 105 105 ARG CB C 105 33.159 33.703 -0.544 1
1 1102 . 6 1 1 A 105 105 ARG N N 105 119.837 115.994 3.843 1
1 1104 . 6 1 1 A 106 106 THR H H 106 8.604 8.699 -0.095 1
1 1105 . 6 1 1 A 106 106 THR HA H 106 4.593 5.000 -0.407 1
1 1110 . 6 1 1 A 106 106 THR C C 106 175.643 174.394 1.249 1
1 1111 . 6 1 1 A 106 106 THR CA C 106 62.821 63.089 -0.268 1
1 1112 . 6 1 1 A 106 106 THR CB C 106 68.784 69.150 -0.366 1
1 1114 . 6 1 1 A 106 106 THR N N 106 118.251 117.172 1.079 1
1 1115 . 6 1 1 A 107 107 ILE H H 107 8.756 9.334 -0.578 1
1 1116 . 6 1 1 A 107 107 ILE HA H 107 4.884 4.976 -0.092 1
1 1126 . 6 1 1 A 107 107 ILE C C 107 174.877 174.306 0.571 1
1 1127 . 6 1 1 A 107 107 ILE CA C 107 60.834 59.011 1.823 1
1 1128 . 6 1 1 A 107 107 ILE CB C 107 40.644 40.258 0.386 1
1 1132 . 6 1 1 A 107 107 ILE N N 107 123.422 123.876 -0.454 1
1 1133 . 6 1 1 A 108 108 LYS H H 108 7.412 8.279 -0.867 1
1 1134 . 6 1 1 A 108 108 LYS HA H 108 5.524 5.862 -0.338 1
1 1141 . 6 1 1 A 108 108 LYS C C 108 175.839 174.810 1.029 1
1 1142 . 6 1 1 A 108 108 LYS CA C 108 52.172 54.781 -2.609 1
1 1143 . 6 1 1 A 108 108 LYS CB C 108 33.947 36.083 -2.136 1
1 1147 . 6 1 1 A 108 108 LYS N N 108 121.402 121.949 -0.547 1
1 1148 . 6 1 1 A 109 109 VAL H H 109 9.467 8.891 0.576 1
1 1149 . 6 1 1 A 109 109 VAL HA H 109 5.410 5.601 -0.191 1
1 1157 . 6 1 1 A 109 109 VAL C C 109 174.514 175.009 -0.495 1
1 1158 . 6 1 1 A 109 109 VAL CA C 109 61.258 60.998 0.260 1
1 1159 . 6 1 1 A 109 109 VAL CB C 109 34.289 34.495 -0.206 1
1 1162 . 6 1 1 A 109 109 VAL N N 109 125.530 126.160 -0.630 1
1 1163 . 6 1 1 A 110 110 LEU H H 110 9.081 8.852 0.229 1
1 1164 . 6 1 1 A 110 110 LEU HA H 110 5.109 5.056 0.053 1
1 1173 . 6 1 1 A 110 110 LEU CA C 110 51.660 51.240 0.420 1
1 1174 . 6 1 1 A 110 110 LEU CB C 110 46.037 44.821 1.216 1
1 1178 . 6 1 1 A 110 110 LEU N N 110 125.323 124.825 0.498 1
1 1179 . 6 1 1 A 111 111 PRO HA H 111 4.539 4.570 -0.031 1
1 1186 . 6 1 1 A 111 111 PRO C C 111 176.222 176.334 -0.112 1
1 1187 . 6 1 1 A 111 111 PRO CA C 111 63.390 62.685 0.705 1
1 1188 . 6 1 1 A 111 111 PRO CB C 111 31.697 32.045 -0.348 1
1 1191 . 6 1 1 A 112 112 LYS H H 112 8.121 8.573 -0.452 1
1 1192 . 6 1 1 A 112 112 LYS HA H 112 4.113 4.430 -0.317 1
1 1199 . 6 1 1 A 112 112 LYS C C 112 175.830 175.786 0.044 1
1 1200 . 6 1 1 A 112 112 LYS CA C 112 58.405 56.353 2.052 1
1 1201 . 6 1 1 A 112 112 LYS CB C 112 33.746 32.274 1.472 1
1 1204 . 6 1 1 A 112 112 LYS N N 112 124.317 122.217 2.100 1
1 1205 . 6 1 1 A 113 113 ARG H H 113 8.228 8.165 0.063 1
1 1206 . 6 1 1 A 113 113 ARG HA H 113 4.451 4.436 0.015 1
1 1211 . 6 1 1 A 113 113 ARG C C 113 175.758 176.466 -0.708 1
1 1212 . 6 1 1 A 113 113 ARG CA C 113 55.468 56.184 -0.716 1
1 1213 . 6 1 1 A 113 113 ARG CB C 113 31.550 30.637 0.913 1
1 1215 . 6 1 1 A 113 113 ARG N N 113 121.228 125.076 -3.848 1
1 1216 . 6 1 1 A 114 114 THR H H 114 8.138 8.700 -0.562 1
1 1217 . 6 1 1 A 114 114 THR HA H 114 4.264 4.673 -0.409 1
1 1222 . 6 1 1 A 114 114 THR C C 114 174.043 175.972 -1.929 1
1 1223 . 6 1 1 A 114 114 THR CA C 114 62.229 61.731 0.498 1
1 1224 . 6 1 1 A 114 114 THR CB C 114 69.682 70.702 -1.020 1
1 1226 . 6 1 1 A 114 114 THR N N 114 116.384 112.888 3.496 1
1 1227 . 6 1 1 A 115 115 ASN H H 115 8.406 8.038 0.368 1
1 1228 . 6 1 1 A 115 115 ASN HA H 115 4.682 4.310 0.372 1
1 1233 . 6 1 1 A 115 115 ASN C C 115 174.513 174.243 0.270 1
1 1234 . 6 1 1 A 115 115 ASN CA C 115 53.242 55.745 -2.503 1
1 1235 . 6 1 1 A 115 115 ASN CB C 115 38.888 36.929 1.959 1
1 1236 . 6 1 1 A 115 115 ASN N N 115 120.871 114.800 6.071 1
1 1238 . 6 1 1 A 116 116 MET H H 116 8.138 8.245 -0.107 1
1 1239 . 6 1 1 A 116 116 MET CA C 116 53.400 52.992 0.408 1
1 1240 . 6 1 1 A 116 116 MET CB C 116 32.829 33.904 -1.075 1
1 1241 . 6 1 1 A 116 116 MET N N 116 121.611 118.813 2.798 1
1 1242 . 6 1 1 A 117 117 PRO HA H 117 4.428 4.470 -0.042 1
1 1245 . 6 1 1 A 117 117 PRO C C 117 175.935 176.931 -0.996 1
1 1246 . 6 1 1 A 117 117 PRO CA C 117 63.489 63.834 -0.345 1
1 1247 . 6 1 1 A 117 117 PRO CB C 117 32.105 32.410 -0.305 1
1 1248 . 6 1 1 A 118 118 GLY H H 118 8.411 8.225 0.186 1
1 1249 . 6 1 1 A 118 118 GLY HA2 H 118 3.927 3.868 0.059 1
1 1250 . 6 1 1 A 118 118 GLY HA3 H 118 4.389 3.869 0.520 1
1 1251 . 6 1 1 A 118 118 GLY C C 118 174.117 174.507 -0.390 1
1 1252 . 6 1 1 A 118 118 GLY CA C 118 45.470 46.581 -1.111 1
1 1253 . 6 1 1 A 118 118 GLY N N 118 109.241 106.162 3.079 1
1 1254 . 6 1 1 A 119 119 ILE H H 119 7.825 7.572 0.253 1
1 1255 . 6 1 1 A 119 119 ILE HA H 119 4.234 4.060 0.174 1
1 1265 . 6 1 1 A 119 119 ILE C C 119 176.261 175.613 0.648 1
1 1266 . 6 1 1 A 119 119 ILE CA C 119 61.029 61.766 -0.737 1
1 1267 . 6 1 1 A 119 119 ILE CB C 119 38.878 36.442 2.436 1
1 1270 . 6 1 1 A 119 119 ILE N N 119 119.504 120.208 -0.704 1
1 1271 . 6 1 1 A 120 120 SER H H 120 8.397 8.164 0.233 1
1 1272 . 6 1 1 A 120 120 SER HA H 120 4.534 4.988 -0.454 1
1 1274 . 6 1 1 A 120 120 SER C C 120 174.692 172.017 2.675 1
1 1275 . 6 1 1 A 120 120 SER CA C 120 58.150 57.496 0.654 1
1 1276 . 6 1 1 A 120 120 SER CB C 120 63.997 65.212 -1.215 1
1 1277 . 6 1 1 A 120 120 SER N N 120 119.359 122.319 -2.960 1
1 1278 . 6 1 1 A 121 121 SER H H 121 8.371 8.784 -0.413 1
1 1279 . 6 1 1 A 121 121 SER HA H 121 4.360 5.192 -0.832 1
1 1280 . 6 1 1 A 121 121 SER C C 121 174.809 173.258 1.551 1
1 1281 . 6 1 1 A 121 121 SER CA C 121 58.656 57.873 0.783 1
1 1282 . 6 1 1 A 121 121 SER CB C 121 63.795 65.082 -1.287 1
1 1283 . 6 1 1 A 121 121 SER N N 121 118.036 121.212 -3.176 1
1 1284 . 6 1 1 A 122 122 THR H H 122 8.100 9.245 -1.145 1
1 1285 . 6 1 1 A 122 122 THR C C 122 174.254 174.866 -0.612 1
1 1286 . 6 1 1 A 122 122 THR CA C 122 61.829 62.414 -0.585 1
1 1287 . 6 1 1 A 122 122 THR CB C 122 69.537 67.348 2.189 1
1 1288 . 6 1 1 A 122 122 THR N N 122 114.163 123.782 -9.619 1
1 1289 . 6 1 1 A 123 123 ASP H H 123 8.197 8.416 -0.219 1
1 1290 . 6 1 1 A 123 123 ASP HA H 123 4.641 4.778 -0.137 1
1 1292 . 6 1 1 A 123 123 ASP C C 123 174.975 175.666 -0.691 1
1 1293 . 6 1 1 A 123 123 ASP CA C 123 54.542 54.379 0.163 1
1 1294 . 6 1 1 A 123 123 ASP CB C 123 41.144 43.059 -1.915 1
1 1295 . 6 1 1 A 123 123 ASP N N 123 122.772 122.843 -0.071 1
1 8 . 7 1 1 A 2 2 ILE H H 2 8.420 8.511 -0.091 1
1 9 . 7 1 1 A 2 2 ILE HA H 2 4.219 4.330 -0.111 1
1 11 . 7 1 1 A 2 2 ILE C C 2 175.424 174.888 0.536 1
1 12 . 7 1 1 A 2 2 ILE CA C 2 61.022 61.684 -0.662 1
1 13 . 7 1 1 A 2 2 ILE CB C 2 38.918 36.845 2.073 1
1 14 . 7 1 1 A 2 2 ILE N N 2 120.314 119.416 0.898 1
1 15 . 7 1 1 A 3 3 ALA H H 3 8.374 8.494 -0.120 1
1 16 . 7 1 1 A 3 3 ALA CA C 3 50.509 48.917 1.592 1
1 17 . 7 1 1 A 3 3 ALA CB C 3 18.608 21.973 -3.365 1
1 18 . 7 1 1 A 3 3 ALA N N 3 129.874 129.560 0.314 1
1 19 . 7 1 1 A 4 4 PRO HA H 4 4.446 4.646 -0.200 1
1 22 . 7 1 1 A 4 4 PRO C C 4 176.949 175.940 1.009 1
1 23 . 7 1 1 A 4 4 PRO CA C 4 63.456 62.560 0.896 1
1 24 . 7 1 1 A 4 4 PRO CB C 4 32.203 31.121 1.082 1
1 25 . 7 1 1 A 5 5 CYS H H 5 8.347 8.289 0.058 1
1 26 . 7 1 1 A 5 5 CYS HA H 5 4.492 4.961 -0.469 1
1 28 . 7 1 1 A 5 5 CYS C C 5 174.805 173.344 1.461 1
1 29 . 7 1 1 A 5 5 CYS CA C 5 58.495 57.549 0.946 1
1 30 . 7 1 1 A 5 5 CYS CB C 5 27.957 28.504 -0.547 1
1 31 . 7 1 1 A 5 5 CYS N N 5 118.477 124.202 -5.725 1
1 32 . 7 1 1 A 6 6 MET H H 6 8.421 8.731 -0.310 1
1 33 . 7 1 1 A 6 6 MET HA H 6 4.534 5.348 -0.814 1
1 35 . 7 1 1 A 6 6 MET C C 6 176.132 174.377 1.755 1
1 36 . 7 1 1 A 6 6 MET CA C 6 55.629 54.016 1.613 1
1 37 . 7 1 1 A 6 6 MET CB C 6 33.048 35.929 -2.881 1
1 38 . 7 1 1 A 6 6 MET N N 6 122.952 125.553 -2.601 1
1 39 . 7 1 1 A 7 7 GLN H H 7 8.313 8.888 -0.575 1
1 40 . 7 1 1 A 7 7 GLN HA H 7 4.435 5.241 -0.806 1
1 42 . 7 1 1 A 7 7 GLN C C 7 176.128 174.696 1.432 1
1 43 . 7 1 1 A 7 7 GLN CA C 7 56.109 54.313 1.796 1
1 44 . 7 1 1 A 7 7 GLN CB C 7 29.591 31.281 -1.690 1
1 45 . 7 1 1 A 7 7 GLN N N 7 121.379 121.376 0.003 1
1 46 . 7 1 1 A 8 8 THR H H 8 8.195 8.870 -0.675 1
1 47 . 7 1 1 A 8 8 THR HA H 8 4.406 4.889 -0.483 1
1 49 . 7 1 1 A 8 8 THR C C 8 174.739 174.645 0.094 1
1 50 . 7 1 1 A 8 8 THR CA C 8 61.856 60.819 1.037 1
1 51 . 7 1 1 A 8 8 THR CB C 8 69.854 72.828 -2.974 1
1 52 . 7 1 1 A 8 8 THR N N 8 115.096 116.804 -1.708 1
1 53 . 7 1 1 A 9 9 THR H H 9 8.081 9.264 -1.183 1
1 54 . 7 1 1 A 9 9 THR HA H 9 4.335 3.808 0.527 1
1 56 . 7 1 1 A 9 9 THR C C 9 174.407 174.247 0.160 1
1 57 . 7 1 1 A 9 9 THR CA C 9 61.896 65.203 -3.307 1
1 58 . 7 1 1 A 9 9 THR CB C 9 69.811 67.199 2.612 1
1 59 . 7 1 1 A 9 9 THR N N 9 115.837 114.849 0.988 1
1 60 . 7 1 1 A 10 10 HIS H H 10 8.477 8.669 -0.192 1
1 61 . 7 1 1 A 10 10 HIS HA H 10 4.788 4.310 0.478 1
1 64 . 7 1 1 A 10 10 HIS C C 10 174.571 174.560 0.011 1
1 65 . 7 1 1 A 10 10 HIS CA C 10 55.477 56.702 -1.225 1
1 66 . 7 1 1 A 10 10 HIS CB C 10 29.291 27.322 1.969 1
1 67 . 7 1 1 A 10 10 HIS N N 10 120.606 119.607 0.999 1
1 68 . 7 1 1 A 11 11 SER H H 11 8.306 8.327 -0.021 1
1 69 . 7 1 1 A 11 11 SER HA H 11 4.448 4.509 -0.061 1
1 71 . 7 1 1 A 11 11 SER C C 11 174.512 174.167 0.345 1
1 72 . 7 1 1 A 11 11 SER CA C 11 58.557 58.721 -0.164 1
1 73 . 7 1 1 A 11 11 SER CB C 11 63.943 64.340 -0.397 1
1 74 . 7 1 1 A 11 11 SER N N 11 117.043 116.227 0.816 1
1 75 . 7 1 1 A 12 12 LYS H H 12 8.402 8.572 -0.170 1
1 76 . 7 1 1 A 12 12 LYS HA H 12 4.359 4.833 -0.474 1
1 79 . 7 1 1 A 12 12 LYS C C 12 176.592 175.079 1.513 1
1 80 . 7 1 1 A 12 12 LYS CA C 12 56.634 55.136 1.498 1
1 81 . 7 1 1 A 12 12 LYS CB C 12 33.127 35.029 -1.902 1
1 82 . 7 1 1 A 12 12 LYS N N 12 123.023 118.744 4.279 1
1 83 . 7 1 1 A 13 13 MET H H 13 8.343 8.630 -0.287 1
1 84 . 7 1 1 A 13 13 MET HA H 13 4.530 4.192 0.338 1
1 88 . 7 1 1 A 13 13 MET C C 13 176.373 174.767 1.606 1
1 89 . 7 1 1 A 13 13 MET CA C 13 55.680 56.308 -0.628 1
1 90 . 7 1 1 A 13 13 MET CB C 13 32.925 31.551 1.374 1
1 91 . 7 1 1 A 13 13 MET N N 13 121.294 117.981 3.313 1
1 92 . 7 1 1 A 14 14 THR H H 14 8.068 7.998 0.070 1
1 93 . 7 1 1 A 14 14 THR HA H 14 4.333 4.764 -0.431 1
1 97 . 7 1 1 A 14 14 THR C C 14 174.246 171.663 2.583 1
1 98 . 7 1 1 A 14 14 THR CA C 14 61.770 60.666 1.104 1
1 99 . 7 1 1 A 14 14 THR CB C 14 69.894 70.080 -0.186 1
1 100 . 7 1 1 A 14 14 THR N N 14 115.254 117.882 -2.628 1
1 101 . 7 1 1 A 15 15 ALA H H 15 8.289 8.672 -0.383 1
1 102 . 7 1 1 A 15 15 ALA HA H 15 4.344 5.163 -0.819 1
1 106 . 7 1 1 A 15 15 ALA C C 15 178.080 176.190 1.890 1
1 107 . 7 1 1 A 15 15 ALA CA C 15 52.779 51.281 1.498 1
1 108 . 7 1 1 A 15 15 ALA CB C 15 19.286 22.757 -3.471 1
1 109 . 7 1 1 A 15 15 ALA N N 15 126.372 126.357 0.015 1
1 110 . 7 1 1 A 16 16 GLY H H 16 8.291 8.286 0.005 1
1 111 . 7 1 1 A 16 16 GLY HA2 H 16 3.913 4.136 -0.223 1
1 112 . 7 1 1 A 16 16 GLY C C 16 173.788 172.061 1.727 1
1 113 . 7 1 1 A 16 16 GLY CA C 16 45.298 45.736 -0.438 1
1 114 . 7 1 1 A 16 16 GLY N N 16 108.095 107.998 0.097 1
1 115 . 7 1 1 A 17 17 ALA H H 17 8.000 8.221 -0.221 1
1 116 . 7 1 1 A 17 17 ALA HA H 17 4.292 4.837 -0.545 1
1 120 . 7 1 1 A 17 17 ALA C C 17 177.366 175.520 1.846 1
1 121 . 7 1 1 A 17 17 ALA CA C 17 52.518 51.773 0.745 1
1 122 . 7 1 1 A 17 17 ALA CB C 17 19.577 20.415 -0.838 1
1 123 . 7 1 1 A 17 17 ALA N N 17 123.370 123.660 -0.290 1
1 124 . 7 1 1 A 18 18 TYR H H 18 8.135 9.043 -0.908 1
1 125 . 7 1 1 A 18 18 TYR HA H 18 4.640 4.769 -0.129 1
1 129 . 7 1 1 A 18 18 TYR C C 18 176.031 175.174 0.857 1
1 130 . 7 1 1 A 18 18 TYR CA C 18 57.973 58.834 -0.861 1
1 131 . 7 1 1 A 18 18 TYR CB C 18 38.661 40.918 -2.257 1
1 132 . 7 1 1 A 18 18 TYR N N 18 119.212 122.483 -3.271 1
1 133 . 7 1 1 A 19 19 THR H H 19 7.912 7.918 -0.006 1
1 134 . 7 1 1 A 19 19 THR HA H 19 4.267 5.104 -0.837 1
1 139 . 7 1 1 A 19 19 THR C C 19 173.995 173.503 0.492 1
1 140 . 7 1 1 A 19 19 THR CA C 19 61.848 61.087 0.761 1
1 141 . 7 1 1 A 19 19 THR CB C 19 69.756 72.279 -2.523 1
1 142 . 7 1 1 A 19 19 THR N N 19 115.764 114.220 1.544 1
1 143 . 7 1 1 A 20 20 GLU H H 20 8.077 9.160 -1.083 1
1 144 . 7 1 1 A 20 20 GLU HA H 20 4.301 4.465 -0.164 1
1 148 . 7 1 1 A 20 20 GLU C C 20 176.128 176.097 0.031 1
1 149 . 7 1 1 A 20 20 GLU CA C 20 56.312 58.020 -1.708 1
1 150 . 7 1 1 A 20 20 GLU CB C 20 30.423 31.856 -1.433 1
1 152 . 7 1 1 A 20 20 GLU N N 20 122.553 126.552 -3.999 1
1 153 . 7 1 1 A 21 21 GLY H H 21 7.966 6.880 1.086 1
1 154 . 7 1 1 A 21 21 GLY HA2 H 21 3.903 4.114 -0.211 1
1 155 . 7 1 1 A 21 21 GLY CA C 21 44.257 45.626 -1.369 1
1 156 . 7 1 1 A 21 21 GLY N N 21 109.544 104.911 4.633 1
1 157 . 7 1 1 A 22 22 PRO HA H 22 4.232 4.334 -0.102 1
1 164 . 7 1 1 A 22 22 PRO CA C 22 61.109 65.433 -4.324 1
1 165 . 7 1 1 A 22 22 PRO CB C 22 30.711 31.668 -0.957 1
1 168 . 7 1 1 A 23 23 PRO HA H 23 4.363 4.520 -0.157 1
1 174 . 7 1 1 A 23 23 PRO C C 23 176.567 177.296 -0.729 1
1 175 . 7 1 1 A 23 23 PRO CA C 23 62.733 62.926 -0.193 1
1 176 . 7 1 1 A 23 23 PRO CB C 23 32.048 31.708 0.340 1
1 179 . 7 1 1 A 24 24 GLN H H 24 8.286 8.456 -0.170 1
1 180 . 7 1 1 A 24 24 GLN HA H 24 4.479 4.618 -0.139 1
1 186 . 7 1 1 A 24 24 GLN CA C 24 53.763 54.069 -0.306 1
1 187 . 7 1 1 A 24 24 GLN CB C 24 28.800 27.540 1.260 1
1 189 . 7 1 1 A 24 24 GLN N N 24 121.215 120.806 0.409 1
1 191 . 7 1 1 A 25 25 PRO HA H 25 4.389 4.646 -0.257 1
1 198 . 7 1 1 A 25 25 PRO C C 25 176.707 176.889 -0.182 1
1 199 . 7 1 1 A 25 25 PRO CA C 25 62.867 62.661 0.206 1
1 200 . 7 1 1 A 25 25 PRO CB C 25 32.174 29.447 2.727 1
1 203 . 7 1 1 A 26 26 LEU H H 26 8.244 8.336 -0.092 1
1 204 . 7 1 1 A 26 26 LEU HA H 26 4.405 4.027 0.378 1
1 214 . 7 1 1 A 26 26 LEU C C 26 177.517 175.372 2.145 1
1 215 . 7 1 1 A 26 26 LEU CA C 26 54.643 57.002 -2.359 1
1 216 . 7 1 1 A 26 26 LEU CB C 26 43.618 40.670 2.948 1
1 220 . 7 1 1 A 26 26 LEU N N 26 122.745 118.826 3.919 1
1 221 . 7 1 1 A 27 27 SER H H 27 8.758 8.487 0.271 1
1 222 . 7 1 1 A 27 27 SER HA H 27 4.474 4.572 -0.098 1
1 225 . 7 1 1 A 27 27 SER C C 27 174.789 175.819 -1.030 1
1 226 . 7 1 1 A 27 27 SER CA C 27 57.461 58.013 -0.552 1
1 227 . 7 1 1 A 27 27 SER CB C 27 65.280 64.578 0.702 1
1 228 . 7 1 1 A 27 27 SER N N 27 117.967 116.421 1.546 1
1 229 . 7 1 1 A 28 28 ALA H H 28 8.841 8.988 -0.147 1
1 230 . 7 1 1 A 28 28 ALA HA H 28 4.037 4.001 0.036 1
1 234 . 7 1 1 A 28 28 ALA CA C 28 55.346 55.451 -0.105 1
1 235 . 7 1 1 A 28 28 ALA CB C 28 18.347 18.191 0.156 1
1 236 . 7 1 1 A 28 28 ALA N N 28 124.144 126.640 -2.496 1
1 237 . 7 1 1 A 29 29 GLU H H 29 8.565 8.004 0.561 1
1 238 . 7 1 1 A 29 29 GLU HA H 29 4.026 4.096 -0.070 1
1 242 . 7 1 1 A 29 29 GLU C C 29 178.877 179.297 -0.420 1
1 243 . 7 1 1 A 29 29 GLU CA C 29 59.430 59.050 0.380 1
1 244 . 7 1 1 A 29 29 GLU CB C 29 29.244 28.998 0.246 1
1 246 . 7 1 1 A 29 29 GLU N N 29 117.527 117.742 -0.215 1
1 247 . 7 1 1 A 30 30 GLU H H 30 7.823 8.345 -0.522 1
1 248 . 7 1 1 A 30 30 GLU HA H 30 4.054 4.050 0.004 1
1 253 . 7 1 1 A 30 30 GLU C C 30 179.191 179.342 -0.151 1
1 254 . 7 1 1 A 30 30 GLU CA C 30 59.037 59.224 -0.187 1
1 255 . 7 1 1 A 30 30 GLU CB C 30 30.102 29.063 1.039 1
1 257 . 7 1 1 A 30 30 GLU N N 30 120.773 121.364 -0.591 1
1 258 . 7 1 1 A 31 31 LYS H H 31 8.246 7.717 0.529 1
1 259 . 7 1 1 A 31 31 LYS HA H 31 3.844 4.089 -0.245 1
1 266 . 7 1 1 A 31 31 LYS C C 31 177.968 179.540 -1.572 1
1 267 . 7 1 1 A 31 31 LYS CA C 31 59.889 59.545 0.344 1
1 268 . 7 1 1 A 31 31 LYS CB C 31 32.350 32.145 0.205 1
1 272 . 7 1 1 A 31 31 LYS N N 31 119.315 120.000 -0.685 1
1 273 . 7 1 1 A 32 32 LYS H H 32 7.698 7.335 0.363 1
1 274 . 7 1 1 A 32 32 LYS HA H 32 4.043 4.085 -0.042 1
1 282 . 7 1 1 A 32 32 LYS C C 32 178.848 179.286 -0.438 1
1 283 . 7 1 1 A 32 32 LYS CA C 32 59.479 59.350 0.129 1
1 284 . 7 1 1 A 32 32 LYS CB C 32 32.459 32.010 0.449 1
1 288 . 7 1 1 A 32 32 LYS N N 32 118.195 119.575 -1.380 1
1 289 . 7 1 1 A 33 33 GLU H H 33 7.512 7.921 -0.409 1
1 290 . 7 1 1 A 33 33 GLU HA H 33 4.031 4.104 -0.073 1
1 295 . 7 1 1 A 33 33 GLU C C 33 178.989 179.313 -0.324 1
1 296 . 7 1 1 A 33 33 GLU CA C 33 59.157 58.968 0.189 1
1 297 . 7 1 1 A 33 33 GLU CB C 33 29.220 29.579 -0.359 1
1 299 . 7 1 1 A 33 33 GLU N N 33 118.459 120.100 -1.641 1
1 300 . 7 1 1 A 34 34 ILE H H 34 7.912 7.698 0.214 1
1 301 . 7 1 1 A 34 34 ILE HA H 34 3.503 3.843 -0.340 1
1 311 . 7 1 1 A 34 34 ILE C C 34 180.639 177.796 2.843 1
1 312 . 7 1 1 A 34 34 ILE CA C 34 65.305 63.987 1.318 1
1 313 . 7 1 1 A 34 34 ILE CB C 34 38.540 37.437 1.103 1
1 317 . 7 1 1 A 34 34 ILE N N 34 120.176 117.983 2.193 1
1 318 . 7 1 1 A 35 35 ASP H H 35 8.457 8.531 -0.074 1
1 319 . 7 1 1 A 35 35 ASP HA H 35 4.145 4.426 -0.281 1
1 322 . 7 1 1 A 35 35 ASP C C 35 178.790 178.856 -0.066 1
1 323 . 7 1 1 A 35 35 ASP CA C 35 58.322 57.402 0.920 1
1 324 . 7 1 1 A 35 35 ASP CB C 35 39.538 39.991 -0.453 1
1 325 . 7 1 1 A 35 35 ASP N N 35 123.589 122.032 1.557 1
1 326 . 7 1 1 A 36 36 LYS H H 36 7.573 7.744 -0.171 1
1 327 . 7 1 1 A 36 36 LYS HA H 36 4.187 4.064 0.123 1
1 334 . 7 1 1 A 36 36 LYS C C 36 176.400 177.683 -1.283 1
1 335 . 7 1 1 A 36 36 LYS CA C 36 58.656 58.943 -0.287 1
1 336 . 7 1 1 A 36 36 LYS CB C 36 32.991 32.068 0.923 1
1 340 . 7 1 1 A 36 36 LYS N N 36 117.506 120.810 -3.304 1
1 341 . 7 1 1 A 37 37 ARG H H 37 7.397 7.681 -0.284 1
1 342 . 7 1 1 A 37 37 ARG HA H 37 4.658 4.610 0.048 1
1 348 . 7 1 1 A 37 37 ARG C C 37 174.361 175.281 -0.920 1
1 349 . 7 1 1 A 37 37 ARG CA C 37 55.793 55.447 0.346 1
1 350 . 7 1 1 A 37 37 ARG CB C 37 31.260 31.166 0.094 1
1 353 . 7 1 1 A 37 37 ARG N N 37 115.182 117.085 -1.903 1
1 354 . 7 1 1 A 38 38 SER H H 38 7.416 7.430 -0.014 1
1 355 . 7 1 1 A 38 38 SER HA H 38 6.346 4.965 1.381 1
1 358 . 7 1 1 A 38 38 SER C C 38 173.807 173.647 0.160 1
1 359 . 7 1 1 A 38 38 SER CA C 38 57.574 56.748 0.826 1
1 360 . 7 1 1 A 38 38 SER CB C 38 67.003 65.541 1.462 1
1 361 . 7 1 1 A 38 38 SER N N 38 112.872 116.508 -3.636 1
1 362 . 7 1 1 A 39 39 VAL H H 39 8.812 8.785 0.027 1
1 363 . 7 1 1 A 39 39 VAL HA H 39 5.117 5.351 -0.234 1
1 371 . 7 1 1 A 39 39 VAL C C 39 174.519 173.241 1.278 1
1 372 . 7 1 1 A 39 39 VAL CA C 39 59.085 59.215 -0.130 1
1 373 . 7 1 1 A 39 39 VAL CB C 39 34.476 35.815 -1.339 1
1 376 . 7 1 1 A 39 39 VAL N N 39 111.961 118.863 -6.902 1
1 377 . 7 1 1 A 40 40 TYR H H 40 9.366 9.260 0.106 1
1 378 . 7 1 1 A 40 40 TYR HA H 40 5.108 4.997 0.111 1
1 385 . 7 1 1 A 40 40 TYR C C 40 172.976 173.667 -0.691 1
1 386 . 7 1 1 A 40 40 TYR CA C 40 56.633 55.453 1.180 1
1 387 . 7 1 1 A 40 40 TYR CB C 40 41.058 41.386 -0.328 1
1 390 . 7 1 1 A 40 40 TYR N N 40 123.743 124.909 -1.166 1
1 391 . 7 1 1 A 41 41 VAL H H 41 8.734 9.011 -0.277 1
1 392 . 7 1 1 A 41 41 VAL HA H 41 4.876 4.785 0.091 1
1 400 . 7 1 1 A 41 41 VAL C C 41 174.651 174.911 -0.260 1
1 401 . 7 1 1 A 41 41 VAL CA C 41 59.798 60.581 -0.783 1
1 402 . 7 1 1 A 41 41 VAL CB C 41 33.329 32.281 1.048 1
1 405 . 7 1 1 A 41 41 VAL N N 41 127.436 127.247 0.189 1
1 406 . 7 1 1 A 42 42 GLY H H 42 9.669 8.403 1.266 1
1 407 . 7 1 1 A 42 42 GLY HA2 H 42 3.612 3.862 -0.250 1
1 408 . 7 1 1 A 42 42 GLY HA3 H 42 4.392 3.932 0.460 1
1 409 . 7 1 1 A 42 42 GLY C C 42 173.639 174.389 -0.750 1
1 410 . 7 1 1 A 42 42 GLY CA C 42 44.169 43.447 0.722 1
1 411 . 7 1 1 A 42 42 GLY N N 42 113.263 114.947 -1.684 1
1 412 . 7 1 1 A 43 43 ASN H H 43 8.412 9.016 -0.604 1
1 413 . 7 1 1 A 43 43 ASN HA H 43 4.510 4.404 0.106 1
1 418 . 7 1 1 A 43 43 ASN C C 43 174.364 174.953 -0.589 1
1 419 . 7 1 1 A 43 43 ASN CA C 43 53.557 54.319 -0.762 1
1 420 . 7 1 1 A 43 43 ASN CB C 43 37.283 38.185 -0.902 1
1 421 . 7 1 1 A 43 43 ASN N N 43 115.451 119.360 -3.909 1
1 423 . 7 1 1 A 44 44 VAL H H 44 7.083 7.257 -0.174 1
1 424 . 7 1 1 A 44 44 VAL HA H 44 3.975 4.519 -0.544 1
1 432 . 7 1 1 A 44 44 VAL C C 44 175.885 173.736 2.149 1
1 433 . 7 1 1 A 44 44 VAL CA C 44 61.614 60.928 0.686 1
1 434 . 7 1 1 A 44 44 VAL CB C 44 32.914 33.027 -0.113 1
1 437 . 7 1 1 A 44 44 VAL N N 44 115.399 118.765 -3.366 1
1 438 . 7 1 1 A 45 45 ASP H H 45 8.305 8.801 -0.496 1
1 439 . 7 1 1 A 45 45 ASP HA H 45 4.467 5.069 -0.602 1
1 442 . 7 1 1 A 45 45 ASP C C 45 177.205 176.372 0.833 1
1 443 . 7 1 1 A 45 45 ASP CA C 45 54.613 53.212 1.401 1
1 444 . 7 1 1 A 45 45 ASP CB C 45 43.657 42.775 0.882 1
1 445 . 7 1 1 A 45 45 ASP N N 45 124.440 129.309 -4.869 1
1 446 . 7 1 1 A 46 46 TYR H H 46 8.715 8.536 0.179 1
1 447 . 7 1 1 A 46 46 TYR HA H 46 4.483 4.116 0.367 1
1 454 . 7 1 1 A 46 46 TYR C C 46 175.453 177.323 -1.870 1
1 455 . 7 1 1 A 46 46 TYR CA C 46 59.464 61.601 -2.137 1
1 456 . 7 1 1 A 46 46 TYR CB C 46 38.753 36.896 1.857 1
1 458 . 7 1 1 A 46 46 TYR N N 46 125.588 118.982 6.606 1
1 459 . 7 1 1 A 47 47 GLY H H 47 8.387 9.027 -0.640 1
1 460 . 7 1 1 A 47 47 GLY HA2 H 47 3.561 4.056 -0.495 1
1 461 . 7 1 1 A 47 47 GLY HA3 H 47 4.348 4.063 0.285 1
1 462 . 7 1 1 A 47 47 GLY C C 47 173.578 174.420 -0.842 1
1 463 . 7 1 1 A 47 47 GLY CA C 47 44.965 46.512 -1.547 1
1 464 . 7 1 1 A 47 47 GLY N N 47 106.974 107.949 -0.975 1
1 465 . 7 1 1 A 48 48 SER H H 48 7.417 7.771 -0.354 1
1 466 . 7 1 1 A 48 48 SER HA H 48 4.428 4.804 -0.376 1
1 468 . 7 1 1 A 48 48 SER C C 48 173.220 174.425 -1.205 1
1 469 . 7 1 1 A 48 48 SER CA C 48 59.892 58.840 1.052 1
1 470 . 7 1 1 A 48 48 SER CB C 48 64.519 64.416 0.103 1
1 471 . 7 1 1 A 48 48 SER N N 48 115.423 116.609 -1.186 1
1 472 . 7 1 1 A 49 49 THR H H 49 8.474 8.608 -0.134 1
1 473 . 7 1 1 A 49 49 THR HA H 49 4.660 4.747 -0.087 1
1 478 . 7 1 1 A 49 49 THR C C 49 175.940 175.877 0.063 1
1 479 . 7 1 1 A 49 49 THR CA C 49 58.831 60.111 -1.280 1
1 480 . 7 1 1 A 49 49 THR CB C 49 72.585 72.128 0.457 1
1 482 . 7 1 1 A 49 49 THR N N 49 112.103 115.803 -3.700 1
1 483 . 7 1 1 A 50 50 ALA H H 50 9.723 9.077 0.646 1
1 484 . 7 1 1 A 50 50 ALA HA H 50 3.923 3.998 -0.075 1
1 488 . 7 1 1 A 50 50 ALA C C 50 179.045 180.038 -0.993 1
1 489 . 7 1 1 A 50 50 ALA CA C 50 55.643 55.426 0.217 1
1 490 . 7 1 1 A 50 50 ALA CB C 50 18.259 17.979 0.280 1
1 491 . 7 1 1 A 50 50 ALA N N 50 123.988 124.025 -0.037 1
1 492 . 7 1 1 A 51 51 GLN H H 51 7.730 8.182 -0.452 1
1 493 . 7 1 1 A 51 51 GLN HA H 51 3.940 4.019 -0.079 1
1 500 . 7 1 1 A 51 51 GLN C C 51 178.215 178.617 -0.402 1
1 501 . 7 1 1 A 51 51 GLN CA C 51 59.096 59.080 0.016 1
1 502 . 7 1 1 A 51 51 GLN CB C 51 28.508 28.276 0.232 1
1 504 . 7 1 1 A 51 51 GLN N N 51 116.375 117.978 -1.603 1
1 505 . 7 1 1 A 52 52 ASP H H 52 8.273 7.903 0.370 1
1 506 . 7 1 1 A 52 52 ASP HA H 52 4.587 4.522 0.065 1
1 507 . 7 1 1 A 52 52 ASP C C 52 179.837 178.908 0.929 1
1 508 . 7 1 1 A 52 52 ASP CA C 52 57.556 57.430 0.126 1
1 509 . 7 1 1 A 52 52 ASP CB C 52 41.057 40.927 0.130 1
1 510 . 7 1 1 A 52 52 ASP N N 52 120.755 119.843 0.912 1
1 511 . 7 1 1 A 53 53 LEU H H 53 7.855 7.917 -0.062 1
1 512 . 7 1 1 A 53 53 LEU HA H 53 3.933 3.989 -0.056 1
1 522 . 7 1 1 A 53 53 LEU C C 53 178.463 179.118 -0.655 1
1 523 . 7 1 1 A 53 53 LEU CA C 53 58.367 58.025 0.342 1
1 524 . 7 1 1 A 53 53 LEU CB C 53 42.646 41.497 1.149 1
1 528 . 7 1 1 A 53 53 LEU N N 53 122.035 120.804 1.231 1
1 529 . 7 1 1 A 54 54 GLU H H 54 8.804 8.811 -0.007 1
1 530 . 7 1 1 A 54 54 GLU HA H 54 3.745 4.065 -0.320 1
1 534 . 7 1 1 A 54 54 GLU C C 54 178.467 178.404 0.063 1
1 535 . 7 1 1 A 54 54 GLU CA C 54 59.833 59.663 0.170 1
1 536 . 7 1 1 A 54 54 GLU CB C 54 29.238 29.498 -0.260 1
1 538 . 7 1 1 A 54 54 GLU N N 54 120.472 119.367 1.105 1
1 539 . 7 1 1 A 55 55 ALA H H 55 8.098 8.257 -0.159 1
1 540 . 7 1 1 A 55 55 ALA HA H 55 4.249 4.321 -0.072 1
1 544 . 7 1 1 A 55 55 ALA C C 55 180.711 179.764 0.947 1
1 545 . 7 1 1 A 55 55 ALA CA C 55 55.077 54.932 0.145 1
1 546 . 7 1 1 A 55 55 ALA CB C 55 18.164 18.188 -0.024 1
1 547 . 7 1 1 A 55 55 ALA N N 55 119.302 122.479 -3.177 1
1 548 . 7 1 1 A 56 56 HIS H H 56 7.927 7.668 0.259 1
1 549 . 7 1 1 A 56 56 HIS HA H 56 4.281 4.265 0.016 1
1 553 . 7 1 1 A 56 56 HIS C C 56 176.342 176.927 -0.585 1
1 554 . 7 1 1 A 56 56 HIS CA C 56 59.362 59.343 0.019 1
1 555 . 7 1 1 A 56 56 HIS CB C 56 31.200 29.528 1.672 1
1 556 . 7 1 1 A 56 56 HIS N N 56 117.016 118.094 -1.078 1
1 557 . 7 1 1 A 57 57 PHE H H 57 7.811 7.891 -0.080 1
1 558 . 7 1 1 A 57 57 PHE HA H 57 4.554 4.420 0.134 1
1 565 . 7 1 1 A 57 57 PHE C C 57 177.301 178.256 -0.955 1
1 566 . 7 1 1 A 57 57 PHE CA C 57 59.480 61.805 -2.325 1
1 567 . 7 1 1 A 57 57 PHE CB C 57 40.432 38.861 1.571 1
1 571 . 7 1 1 A 57 57 PHE N N 57 111.423 115.728 -4.305 1
1 572 . 7 1 1 A 58 58 SER H H 58 8.126 8.314 -0.188 1
1 573 . 7 1 1 A 58 58 SER HA H 58 4.468 4.608 -0.140 1
1 575 . 7 1 1 A 58 58 SER C C 58 176.676 176.345 0.331 1
1 576 . 7 1 1 A 58 58 SER CA C 58 62.159 62.097 0.062 1
1 577 . 7 1 1 A 58 58 SER N N 58 118.439 117.278 1.161 1
1 578 . 7 1 1 A 59 59 SER H H 59 8.422 7.648 0.774 1
1 579 . 7 1 1 A 59 59 SER HA H 59 4.291 4.280 0.011 1
1 581 . 7 1 1 A 59 59 SER C C 59 175.955 175.324 0.631 1
1 582 . 7 1 1 A 59 59 SER CA C 59 60.277 61.274 -0.997 1
1 583 . 7 1 1 A 59 59 SER CB C 59 62.444 62.973 -0.529 1
1 584 . 7 1 1 A 59 59 SER N N 59 116.618 117.243 -0.625 1
1 585 . 7 1 1 A 60 60 CYS H H 60 8.226 8.209 0.017 1
1 586 . 7 1 1 A 60 60 CYS HA H 60 4.067 4.559 -0.492 1
1 589 . 7 1 1 A 60 60 CYS C C 60 174.682 174.512 0.170 1
1 590 . 7 1 1 A 60 60 CYS CA C 60 60.683 59.513 1.170 1
1 591 . 7 1 1 A 60 60 CYS CB C 60 28.894 28.535 0.359 1
1 592 . 7 1 1 A 60 60 CYS N N 60 118.900 117.434 1.466 1
1 593 . 7 1 1 A 61 61 GLY H H 61 7.414 7.362 0.052 1
1 594 . 7 1 1 A 61 61 GLY HA2 H 61 3.887 4.119 -0.232 1
1 595 . 7 1 1 A 61 61 GLY HA3 H 61 4.489 4.209 0.280 1
1 596 . 7 1 1 A 61 61 GLY C C 61 171.619 174.046 -2.427 1
1 597 . 7 1 1 A 61 61 GLY CA C 61 44.000 45.887 -1.887 1
1 598 . 7 1 1 A 61 61 GLY N N 61 106.320 107.220 -0.900 1
1 599 . 7 1 1 A 62 62 SER H H 62 8.182 8.654 -0.472 1
1 600 . 7 1 1 A 62 62 SER HA H 62 4.420 4.376 0.044 1
1 603 . 7 1 1 A 62 62 SER C C 62 175.295 174.584 0.711 1
1 604 . 7 1 1 A 62 62 SER CA C 62 59.839 60.468 -0.629 1
1 605 . 7 1 1 A 62 62 SER CB C 62 63.617 63.167 0.450 1
1 606 . 7 1 1 A 62 62 SER N N 62 112.485 113.725 -1.240 1
1 607 . 7 1 1 A 63 63 ILE H H 63 8.857 7.853 1.004 1
1 608 . 7 1 1 A 63 63 ILE HA H 63 4.007 4.103 -0.096 1
1 618 . 7 1 1 A 63 63 ILE C C 63 175.045 175.859 -0.814 1
1 619 . 7 1 1 A 63 63 ILE CA C 63 61.979 61.942 0.037 1
1 620 . 7 1 1 A 63 63 ILE CB C 63 41.048 36.242 4.806 1
1 624 . 7 1 1 A 63 63 ILE N N 63 127.966 117.298 10.668 1
1 625 . 7 1 1 A 64 64 ASN H H 64 8.897 9.260 -0.363 1
1 626 . 7 1 1 A 64 64 ASN HA H 64 4.667 4.982 -0.315 1
1 631 . 7 1 1 A 64 64 ASN C C 64 174.686 175.340 -0.654 1
1 632 . 7 1 1 A 64 64 ASN CA C 64 53.627 54.300 -0.673 1
1 633 . 7 1 1 A 64 64 ASN CB C 64 40.062 40.982 -0.920 1
1 634 . 7 1 1 A 64 64 ASN N N 64 124.997 123.968 1.029 1
1 636 . 7 1 1 A 65 65 ARG H H 65 7.419 7.376 0.043 1
1 637 . 7 1 1 A 65 65 ARG HA H 65 5.155 4.850 0.305 1
1 645 . 7 1 1 A 65 65 ARG C C 65 173.788 174.256 -0.468 1
1 646 . 7 1 1 A 65 65 ARG CA C 65 55.703 54.776 0.927 1
1 647 . 7 1 1 A 65 65 ARG CB C 65 35.408 34.870 0.538 1
1 650 . 7 1 1 A 65 65 ARG N N 65 116.737 116.962 -0.225 1
1 652 . 7 1 1 A 66 66 ILE H H 66 8.681 8.625 0.056 1
1 653 . 7 1 1 A 66 66 ILE HA H 66 4.574 5.329 -0.755 1
1 663 . 7 1 1 A 66 66 ILE C C 66 173.717 174.434 -0.717 1
1 664 . 7 1 1 A 66 66 ILE CA C 66 61.049 59.074 1.975 1
1 665 . 7 1 1 A 66 66 ILE CB C 66 42.988 41.963 1.025 1
1 669 . 7 1 1 A 66 66 ILE N N 66 123.359 117.528 5.831 1
1 670 . 7 1 1 A 67 67 THR H H 67 8.861 9.146 -0.285 1
1 671 . 7 1 1 A 67 67 THR HA H 67 5.378 5.082 0.296 1
1 676 . 7 1 1 A 67 67 THR C C 67 173.526 173.502 0.024 1
1 677 . 7 1 1 A 67 67 THR CA C 67 61.112 61.910 -0.798 1
1 678 . 7 1 1 A 67 67 THR CB C 67 70.857 70.505 0.352 1
1 680 . 7 1 1 A 67 67 THR N N 67 124.375 119.439 4.936 1
1 681 . 7 1 1 A 68 68 ILE H H 68 9.768 9.210 0.558 1
1 682 . 7 1 1 A 68 68 ILE HA H 68 4.333 4.771 -0.438 1
1 692 . 7 1 1 A 68 68 ILE C C 68 173.743 174.931 -1.188 1
1 693 . 7 1 1 A 68 68 ILE CA C 68 61.237 59.944 1.293 1
1 694 . 7 1 1 A 68 68 ILE CB C 68 40.908 40.289 0.619 1
1 698 . 7 1 1 A 68 68 ILE N N 68 127.340 128.794 -1.454 1
1 699 . 7 1 1 A 69 69 LEU H H 69 9.045 9.116 -0.071 1
1 700 . 7 1 1 A 69 69 LEU HA H 69 5.074 5.062 0.012 1
1 710 . 7 1 1 A 69 69 LEU C C 69 175.502 175.238 0.264 1
1 711 . 7 1 1 A 69 69 LEU CA C 69 55.186 52.791 2.395 1
1 712 . 7 1 1 A 69 69 LEU CB C 69 42.702 44.708 -2.006 1
1 716 . 7 1 1 A 69 69 LEU N N 69 128.686 124.889 3.797 1
1 717 . 7 1 1 A 70 70 CYS H H 70 8.767 8.789 -0.022 1
1 718 . 7 1 1 A 70 70 CYS HA H 70 5.237 5.807 -0.570 1
1 720 . 7 1 1 A 70 70 CYS C C 70 173.558 173.323 0.235 1
1 721 . 7 1 1 A 70 70 CYS CA C 70 57.609 56.825 0.784 1
1 722 . 7 1 1 A 70 70 CYS CB C 70 29.830 28.838 0.992 1
1 723 . 7 1 1 A 70 70 CYS N N 70 120.856 120.554 0.302 1
1 724 . 7 1 1 A 71 71 ASP H H 71 9.109 9.086 0.023 1
1 725 . 7 1 1 A 71 71 ASP HA H 71 5.193 5.543 -0.350 1
1 728 . 7 1 1 A 71 71 ASP C C 71 175.440 176.145 -0.705 1
1 729 . 7 1 1 A 71 71 ASP CA C 71 53.705 52.411 1.294 1
1 730 . 7 1 1 A 71 71 ASP CB C 71 44.774 43.599 1.175 1
1 731 . 7 1 1 A 71 71 ASP N N 71 124.936 124.063 0.873 1
1 732 . 7 1 1 A 72 72 LYS H H 72 8.262 8.852 -0.590 1
1 733 . 7 1 1 A 72 72 LYS HA H 72 4.553 4.549 0.004 1
1 740 . 7 1 1 A 72 72 LYS C C 72 177.732 176.973 0.759 1
1 741 . 7 1 1 A 72 72 LYS CA C 72 55.608 56.082 -0.474 1
1 742 . 7 1 1 A 72 72 LYS CB C 72 32.469 32.863 -0.394 1
1 745 . 7 1 1 A 72 72 LYS N N 72 120.339 120.361 -0.022 1
1 746 . 7 1 1 A 73 73 PHE H H 73 8.663 8.304 0.359 1
1 747 . 7 1 1 A 73 73 PHE HA H 73 4.357 4.410 -0.053 1
1 752 . 7 1 1 A 73 73 PHE C C 73 177.148 176.450 0.698 1
1 753 . 7 1 1 A 73 73 PHE CA C 73 60.214 59.159 1.055 1
1 754 . 7 1 1 A 73 73 PHE CB C 73 39.157 37.537 1.620 1
1 756 . 7 1 1 A 73 73 PHE N N 73 121.961 120.185 1.776 1
1 757 . 7 1 1 A 74 74 SER H H 74 8.780 7.370 1.410 1
1 758 . 7 1 1 A 74 74 SER HA H 74 4.353 4.490 -0.137 1
1 760 . 7 1 1 A 74 74 SER C C 74 174.810 174.621 0.189 1
1 761 . 7 1 1 A 74 74 SER CA C 74 58.965 58.391 0.574 1
1 762 . 7 1 1 A 74 74 SER CB C 74 63.650 63.651 -0.001 1
1 763 . 7 1 1 A 74 74 SER N N 74 114.021 115.441 -1.420 1
1 764 . 7 1 1 A 75 75 GLY H H 75 8.004 8.333 -0.329 1
1 765 . 7 1 1 A 75 75 GLY HA2 H 75 3.635 3.798 -0.163 1
1 766 . 7 1 1 A 75 75 GLY HA3 H 75 4.221 3.873 0.348 1
1 767 . 7 1 1 A 75 75 GLY C C 75 173.254 173.986 -0.732 1
1 768 . 7 1 1 A 75 75 GLY CA C 75 45.162 45.563 -0.401 1
1 769 . 7 1 1 A 75 75 GLY N N 75 108.714 109.436 -0.722 1
1 770 . 7 1 1 A 76 76 HIS H H 76 7.670 7.892 -0.222 1
1 771 . 7 1 1 A 76 76 HIS HA H 76 5.020 4.706 0.314 1
1 775 . 7 1 1 A 76 76 HIS CA C 76 52.522 54.234 -1.712 1
1 776 . 7 1 1 A 76 76 HIS CB C 76 29.410 30.606 -1.196 1
1 777 . 7 1 1 A 76 76 HIS N N 76 118.164 119.166 -1.002 1
1 778 . 7 1 1 A 77 77 PRO HA H 77 4.551 5.195 -0.644 1
1 784 . 7 1 1 A 77 77 PRO C C 77 176.458 176.256 0.202 1
1 785 . 7 1 1 A 77 77 PRO CA C 77 63.263 62.966 0.297 1
1 786 . 7 1 1 A 77 77 PRO CB C 77 32.077 31.772 0.305 1
1 789 . 7 1 1 A 78 78 LYS H H 78 8.846 8.979 -0.133 1
1 790 . 7 1 1 A 78 78 LYS HA H 78 4.772 5.679 -0.907 1
1 796 . 7 1 1 A 78 78 LYS CA C 78 55.964 54.555 1.409 1
1 797 . 7 1 1 A 78 78 LYS CB C 78 35.816 35.849 -0.033 1
1 799 . 7 1 1 A 78 78 LYS N N 78 124.197 122.801 1.396 1
1 800 . 7 1 1 A 79 79 GLY H H 79 8.352 8.834 -0.482 1
1 801 . 7 1 1 A 79 79 GLY HA2 H 79 3.871 4.404 -0.533 1
1 802 . 7 1 1 A 79 79 GLY HA3 H 79 5.451 4.411 1.040 1
1 803 . 7 1 1 A 79 79 GLY C C 79 173.400 172.333 1.067 1
1 804 . 7 1 1 A 79 79 GLY CA C 79 45.189 44.345 0.844 1
1 805 . 7 1 1 A 79 79 GLY N N 79 109.568 108.435 1.133 1
1 806 . 7 1 1 A 80 80 TYR H H 80 8.856 8.789 0.067 1
1 807 . 7 1 1 A 80 80 TYR HA H 80 4.940 5.244 -0.304 1
1 814 . 7 1 1 A 80 80 TYR C C 80 171.720 172.700 -0.980 1
1 815 . 7 1 1 A 80 80 TYR CA C 80 56.267 56.626 -0.359 1
1 816 . 7 1 1 A 80 80 TYR CB C 80 40.003 41.686 -1.683 1
1 818 . 7 1 1 A 80 80 TYR N N 80 120.052 116.827 3.225 1
1 819 . 7 1 1 A 81 81 ALA H H 81 9.215 8.779 0.436 1
1 820 . 7 1 1 A 81 81 ALA HA H 81 5.386 5.699 -0.313 1
1 824 . 7 1 1 A 81 81 ALA C C 81 175.357 175.313 0.044 1
1 825 . 7 1 1 A 81 81 ALA CA C 81 50.089 50.335 -0.246 1
1 826 . 7 1 1 A 81 81 ALA CB C 81 24.030 23.512 0.518 1
1 827 . 7 1 1 A 81 81 ALA N N 81 120.138 122.280 -2.142 1
1 828 . 7 1 1 A 82 82 TYR H H 82 8.974 9.305 -0.331 1
1 829 . 7 1 1 A 82 82 TYR HA H 82 5.885 5.585 0.300 1
1 836 . 7 1 1 A 82 82 TYR C C 82 176.232 174.803 1.429 1
1 837 . 7 1 1 A 82 82 TYR CA C 82 55.626 56.275 -0.649 1
1 838 . 7 1 1 A 82 82 TYR CB C 82 41.536 41.659 -0.123 1
1 839 . 7 1 1 A 82 82 TYR N N 82 114.621 118.011 -3.390 1
1 840 . 7 1 1 A 83 83 ILE H H 83 8.644 8.678 -0.034 1
1 841 . 7 1 1 A 83 83 ILE HA H 83 4.275 4.562 -0.287 1
1 851 . 7 1 1 A 83 83 ILE C C 83 173.516 174.555 -1.039 1
1 852 . 7 1 1 A 83 83 ILE CA C 83 60.345 59.903 0.442 1
1 853 . 7 1 1 A 83 83 ILE CB C 83 39.535 39.507 0.028 1
1 857 . 7 1 1 A 83 83 ILE N N 83 122.447 123.295 -0.848 1
1 858 . 7 1 1 A 84 84 GLU H H 84 8.612 9.180 -0.568 1
1 859 . 7 1 1 A 84 84 GLU HA H 84 4.801 4.820 -0.019 1
1 862 . 7 1 1 A 84 84 GLU C C 84 176.111 175.482 0.629 1
1 863 . 7 1 1 A 84 84 GLU CA C 84 54.496 54.882 -0.386 1
1 864 . 7 1 1 A 84 84 GLU CB C 84 31.499 31.274 0.225 1
1 865 . 7 1 1 A 84 84 GLU N N 84 127.346 127.234 0.112 1
1 866 . 7 1 1 A 85 85 PHE H H 85 9.087 9.345 -0.258 1
1 867 . 7 1 1 A 85 85 PHE HA H 85 4.817 4.920 -0.103 1
1 875 . 7 1 1 A 85 85 PHE C C 85 174.422 176.382 -1.960 1
1 876 . 7 1 1 A 85 85 PHE CA C 85 59.072 57.618 1.454 1
1 877 . 7 1 1 A 85 85 PHE CB C 85 40.765 41.440 -0.675 1
1 878 . 7 1 1 A 85 85 PHE N N 85 128.049 123.471 4.578 1
1 879 . 7 1 1 A 86 86 ALA H H 86 8.192 8.501 -0.309 1
1 880 . 7 1 1 A 86 86 ALA HA H 86 4.239 4.290 -0.051 1
1 884 . 7 1 1 A 86 86 ALA C C 86 178.143 177.542 0.601 1
1 885 . 7 1 1 A 86 86 ALA CA C 86 54.524 53.569 0.955 1
1 886 . 7 1 1 A 86 86 ALA CB C 86 19.510 19.971 -0.461 1
1 887 . 7 1 1 A 86 86 ALA N N 86 120.669 123.125 -2.456 1
1 888 . 7 1 1 A 87 87 GLU H H 87 8.455 7.784 0.671 1
1 889 . 7 1 1 A 87 87 GLU HA H 87 4.765 4.703 0.062 1
1 893 . 7 1 1 A 87 87 GLU C C 87 176.472 176.395 0.077 1
1 894 . 7 1 1 A 87 87 GLU CA C 87 54.353 55.168 -0.815 1
1 895 . 7 1 1 A 87 87 GLU CB C 87 32.624 31.319 1.305 1
1 897 . 7 1 1 A 87 87 GLU N N 87 114.204 118.162 -3.958 1
1 898 . 7 1 1 A 88 88 ARG H H 88 8.917 9.001 -0.084 1
1 899 . 7 1 1 A 88 88 ARG HA H 88 3.961 4.018 -0.057 1
1 905 . 7 1 1 A 88 88 ARG C C 88 178.900 177.811 1.089 1
1 906 . 7 1 1 A 88 88 ARG CA C 88 59.548 58.836 0.712 1
1 907 . 7 1 1 A 88 88 ARG CB C 88 30.073 29.894 0.179 1
1 910 . 7 1 1 A 88 88 ARG N N 88 121.592 125.124 -3.532 1
1 911 . 7 1 1 A 89 89 ASN H H 89 8.845 7.993 0.852 1
1 912 . 7 1 1 A 89 89 ASN HA H 89 4.497 4.437 0.060 1
1 916 . 7 1 1 A 89 89 ASN C C 89 177.179 177.629 -0.450 1
1 917 . 7 1 1 A 89 89 ASN CA C 89 55.861 56.231 -0.370 1
1 918 . 7 1 1 A 89 89 ASN CB C 89 37.330 37.895 -0.565 1
1 919 . 7 1 1 A 89 89 ASN N N 89 116.555 117.579 -1.024 1
1 921 . 7 1 1 A 90 90 SER H H 90 7.513 8.057 -0.544 1
1 922 . 7 1 1 A 90 90 SER HA H 90 4.006 4.033 -0.027 1
1 925 . 7 1 1 A 90 90 SER C C 90 174.511 175.800 -1.289 1
1 926 . 7 1 1 A 90 90 SER CA C 90 61.395 62.292 -0.897 1
1 927 . 7 1 1 A 90 90 SER CB C 90 63.424 62.757 0.667 1
1 928 . 7 1 1 A 90 90 SER N N 90 116.007 117.158 -1.151 1
1 929 . 7 1 1 A 91 91 VAL H H 91 7.653 7.540 0.113 1
1 930 . 7 1 1 A 91 91 VAL HA H 91 3.201 3.355 -0.154 1
1 938 . 7 1 1 A 91 91 VAL C C 91 176.991 177.244 -0.253 1
1 939 . 7 1 1 A 91 91 VAL CA C 91 66.851 64.903 1.948 1
1 940 . 7 1 1 A 91 91 VAL CB C 91 31.599 31.173 0.426 1
1 943 . 7 1 1 A 91 91 VAL N N 91 119.934 119.491 0.443 1
1 944 . 7 1 1 A 92 92 ASP H H 92 7.192 7.892 -0.700 1
1 945 . 7 1 1 A 92 92 ASP HA H 92 4.321 4.368 -0.047 1
1 947 . 7 1 1 A 92 92 ASP C C 92 178.585 177.897 0.688 1
1 948 . 7 1 1 A 92 92 ASP CA C 92 57.401 57.200 0.201 1
1 949 . 7 1 1 A 92 92 ASP CB C 92 40.078 41.366 -1.288 1
1 950 . 7 1 1 A 92 92 ASP N N 92 117.084 121.123 -4.039 1
1 951 . 7 1 1 A 93 93 ALA H H 93 6.946 7.802 -0.856 1
1 952 . 7 1 1 A 93 93 ALA HA H 93 4.186 4.180 0.006 1
1 956 . 7 1 1 A 93 93 ALA C C 93 179.272 179.883 -0.611 1
1 957 . 7 1 1 A 93 93 ALA CA C 93 54.445 54.633 -0.188 1
1 958 . 7 1 1 A 93 93 ALA CB C 93 18.164 18.249 -0.085 1
1 959 . 7 1 1 A 93 93 ALA N N 93 121.045 120.827 0.218 1
1 960 . 7 1 1 A 94 94 ALA H H 94 8.033 7.665 0.368 1
1 961 . 7 1 1 A 94 94 ALA HA H 94 4.545 4.209 0.336 1
1 965 . 7 1 1 A 94 94 ALA C C 94 180.529 179.531 0.998 1
1 966 . 7 1 1 A 94 94 ALA CA C 94 55.518 55.183 0.335 1
1 967 . 7 1 1 A 94 94 ALA CB C 94 19.455 18.491 0.964 1
1 968 . 7 1 1 A 94 94 ALA N N 94 122.191 120.588 1.603 1
1 969 . 7 1 1 A 95 95 VAL H H 95 8.565 8.191 0.374 1
1 970 . 7 1 1 A 95 95 VAL HA H 95 3.741 3.927 -0.186 1
1 978 . 7 1 1 A 95 95 VAL C C 95 178.767 177.760 1.007 1
1 979 . 7 1 1 A 95 95 VAL CA C 95 65.820 64.816 1.004 1
1 980 . 7 1 1 A 95 95 VAL CB C 95 31.501 31.437 0.064 1
1 983 . 7 1 1 A 95 95 VAL N N 95 117.405 116.447 0.958 1
1 984 . 7 1 1 A 96 96 ALA H H 96 7.354 7.847 -0.493 1
1 985 . 7 1 1 A 96 96 ALA HA H 96 4.403 4.202 0.201 1
1 989 . 7 1 1 A 96 96 ALA C C 96 178.242 177.996 0.246 1
1 990 . 7 1 1 A 96 96 ALA CA C 96 53.916 54.021 -0.105 1
1 991 . 7 1 1 A 96 96 ALA CB C 96 17.841 18.371 -0.530 1
1 992 . 7 1 1 A 96 96 ALA N N 96 122.769 123.743 -0.974 1
1 993 . 7 1 1 A 97 97 MET H H 97 7.980 7.863 0.117 1
1 994 . 7 1 1 A 97 97 MET HA H 97 4.471 4.628 -0.157 1
1 1002 . 7 1 1 A 97 97 MET C C 97 175.959 177.107 -1.148 1
1 1003 . 7 1 1 A 97 97 MET CA C 97 55.150 54.560 0.590 1
1 1004 . 7 1 1 A 97 97 MET CB C 97 31.663 32.678 -1.015 1
1 1007 . 7 1 1 A 97 97 MET N N 97 115.573 116.869 -1.296 1
1 1008 . 7 1 1 A 98 98 ASP H H 98 7.852 8.181 -0.329 1
1 1009 . 7 1 1 A 98 98 ASP HA H 98 4.422 4.459 -0.037 1
1 1012 . 7 1 1 A 98 98 ASP C C 98 175.976 176.582 -0.606 1
1 1013 . 7 1 1 A 98 98 ASP CA C 98 57.476 57.311 0.165 1
1 1014 . 7 1 1 A 98 98 ASP CB C 98 42.008 40.835 1.173 1
1 1015 . 7 1 1 A 98 98 ASP N N 98 121.576 119.234 2.342 1
1 1016 . 7 1 1 A 99 99 GLU H H 99 8.643 7.842 0.801 1
1 1017 . 7 1 1 A 99 99 GLU HA H 99 4.154 4.599 -0.445 1
1 1022 . 7 1 1 A 99 99 GLU C C 99 176.369 174.879 1.490 1
1 1023 . 7 1 1 A 99 99 GLU CA C 99 58.403 55.258 3.145 1
1 1024 . 7 1 1 A 99 99 GLU CB C 99 26.214 30.056 -3.842 1
1 1026 . 7 1 1 A 99 99 GLU N N 99 119.455 118.748 0.707 1
1 1027 . 7 1 1 A 100 100 THR H H 100 7.416 8.749 -1.333 1
1 1028 . 7 1 1 A 100 100 THR HA H 100 4.498 5.165 -0.667 1
1 1033 . 7 1 1 A 100 100 THR C C 100 172.876 172.152 0.724 1
1 1034 . 7 1 1 A 100 100 THR CA C 100 61.065 59.701 1.364 1
1 1035 . 7 1 1 A 100 100 THR CB C 100 72.140 71.856 0.284 1
1 1037 . 7 1 1 A 100 100 THR N N 100 107.670 115.989 -8.319 1
1 1038 . 7 1 1 A 101 101 VAL H H 101 8.252 8.901 -0.649 1
1 1039 . 7 1 1 A 101 101 VAL HA H 101 4.638 5.061 -0.423 1
1 1047 . 7 1 1 A 101 101 VAL C C 101 176.138 173.876 2.262 1
1 1048 . 7 1 1 A 101 101 VAL CA C 101 62.299 60.027 2.272 1
1 1049 . 7 1 1 A 101 101 VAL CB C 101 32.215 34.136 -1.921 1
1 1052 . 7 1 1 A 101 101 VAL N N 101 118.227 121.526 -3.299 1
1 1053 . 7 1 1 A 102 102 PHE H H 102 9.300 9.264 0.036 1
1 1054 . 7 1 1 A 102 102 PHE HA H 102 4.671 4.770 -0.099 1
1 1061 . 7 1 1 A 102 102 PHE C C 102 174.216 175.243 -1.027 1
1 1062 . 7 1 1 A 102 102 PHE CA C 102 56.205 57.297 -1.092 1
1 1063 . 7 1 1 A 102 102 PHE CB C 102 41.707 41.333 0.374 1
1 1064 . 7 1 1 A 102 102 PHE N N 102 128.863 131.114 -2.251 1
1 1065 . 7 1 1 A 103 103 ARG H H 103 9.167 8.817 0.350 1
1 1066 . 7 1 1 A 103 103 ARG HA H 103 3.389 3.753 -0.364 1
1 1075 . 7 1 1 A 103 103 ARG C C 103 176.014 175.194 0.820 1
1 1076 . 7 1 1 A 103 103 ARG CA C 103 57.215 56.860 0.355 1
1 1077 . 7 1 1 A 103 103 ARG CB C 103 27.382 28.965 -1.583 1
1 1080 . 7 1 1 A 103 103 ARG N N 103 128.268 126.709 1.559 1
1 1082 . 7 1 1 A 104 104 GLY H H 104 8.005 8.426 -0.421 1
1 1083 . 7 1 1 A 104 104 GLY HA2 H 104 4.006 3.816 0.190 1
1 1084 . 7 1 1 A 104 104 GLY HA3 H 104 3.455 3.817 -0.362 1
1 1085 . 7 1 1 A 104 104 GLY C C 104 173.766 173.567 0.199 1
1 1086 . 7 1 1 A 104 104 GLY CA C 104 45.598 45.372 0.226 1
1 1087 . 7 1 1 A 104 104 GLY N N 104 101.324 105.010 -3.686 1
1 1088 . 7 1 1 A 105 105 ARG H H 105 7.681 7.852 -0.171 1
1 1089 . 7 1 1 A 105 105 ARG HA H 105 4.735 4.994 -0.259 1
1 1097 . 7 1 1 A 105 105 ARG C C 105 174.543 174.792 -0.249 1
1 1098 . 7 1 1 A 105 105 ARG CA C 105 54.071 54.389 -0.318 1
1 1099 . 7 1 1 A 105 105 ARG CB C 105 33.159 33.067 0.092 1
1 1102 . 7 1 1 A 105 105 ARG N N 105 119.837 116.344 3.493 1
1 1104 . 7 1 1 A 106 106 THR H H 106 8.604 8.711 -0.107 1
1 1105 . 7 1 1 A 106 106 THR HA H 106 4.593 4.854 -0.261 1
1 1110 . 7 1 1 A 106 106 THR C C 106 175.643 174.433 1.210 1
1 1111 . 7 1 1 A 106 106 THR CA C 106 62.821 63.656 -0.835 1
1 1112 . 7 1 1 A 106 106 THR CB C 106 68.784 68.936 -0.152 1
1 1114 . 7 1 1 A 106 106 THR N N 106 118.251 117.963 0.288 1
1 1115 . 7 1 1 A 107 107 ILE H H 107 8.756 9.141 -0.385 1
1 1116 . 7 1 1 A 107 107 ILE HA H 107 4.884 5.113 -0.229 1
1 1126 . 7 1 1 A 107 107 ILE C C 107 174.877 174.844 0.033 1
1 1127 . 7 1 1 A 107 107 ILE CA C 107 60.834 59.158 1.676 1
1 1128 . 7 1 1 A 107 107 ILE CB C 107 40.644 40.413 0.231 1
1 1132 . 7 1 1 A 107 107 ILE N N 107 123.422 123.678 -0.256 1
1 1133 . 7 1 1 A 108 108 LYS H H 108 7.412 8.090 -0.678 1
1 1134 . 7 1 1 A 108 108 LYS HA H 108 5.524 5.377 0.147 1
1 1141 . 7 1 1 A 108 108 LYS C C 108 175.839 175.333 0.506 1
1 1142 . 7 1 1 A 108 108 LYS CA C 108 52.172 54.829 -2.657 1
1 1143 . 7 1 1 A 108 108 LYS CB C 108 33.947 35.420 -1.473 1
1 1147 . 7 1 1 A 108 108 LYS N N 108 121.402 121.533 -0.131 1
1 1148 . 7 1 1 A 109 109 VAL H H 109 9.467 8.894 0.573 1
1 1149 . 7 1 1 A 109 109 VAL HA H 109 5.410 5.799 -0.389 1
1 1157 . 7 1 1 A 109 109 VAL C C 109 174.514 175.150 -0.636 1
1 1158 . 7 1 1 A 109 109 VAL CA C 109 61.258 61.357 -0.099 1
1 1159 . 7 1 1 A 109 109 VAL CB C 109 34.289 34.543 -0.254 1
1 1162 . 7 1 1 A 109 109 VAL N N 109 125.530 123.828 1.702 1
1 1163 . 7 1 1 A 110 110 LEU H H 110 9.081 8.666 0.415 1
1 1164 . 7 1 1 A 110 110 LEU HA H 110 5.109 5.045 0.064 1
1 1173 . 7 1 1 A 110 110 LEU CA C 110 51.660 51.216 0.444 1
1 1174 . 7 1 1 A 110 110 LEU CB C 110 46.037 44.705 1.332 1
1 1178 . 7 1 1 A 110 110 LEU N N 110 125.323 124.149 1.174 1
1 1179 . 7 1 1 A 111 111 PRO HA H 111 4.539 4.863 -0.324 1
1 1186 . 7 1 1 A 111 111 PRO C C 111 176.222 176.054 0.168 1
1 1187 . 7 1 1 A 111 111 PRO CA C 111 63.390 63.145 0.245 1
1 1188 . 7 1 1 A 111 111 PRO CB C 111 31.697 32.203 -0.506 1
1 1191 . 7 1 1 A 112 112 LYS H H 112 8.121 8.571 -0.450 1
1 1192 . 7 1 1 A 112 112 LYS HA H 112 4.113 4.743 -0.630 1
1 1199 . 7 1 1 A 112 112 LYS C C 112 175.830 175.462 0.368 1
1 1200 . 7 1 1 A 112 112 LYS CA C 112 58.405 55.619 2.786 1
1 1201 . 7 1 1 A 112 112 LYS CB C 112 33.746 33.313 0.433 1
1 1204 . 7 1 1 A 112 112 LYS N N 112 124.317 122.232 2.085 1
1 1205 . 7 1 1 A 113 113 ARG H H 113 8.228 8.333 -0.105 1
1 1206 . 7 1 1 A 113 113 ARG HA H 113 4.451 4.624 -0.173 1
1 1211 . 7 1 1 A 113 113 ARG C C 113 175.758 175.869 -0.111 1
1 1212 . 7 1 1 A 113 113 ARG CA C 113 55.468 55.953 -0.485 1
1 1213 . 7 1 1 A 113 113 ARG CB C 113 31.550 31.787 -0.237 1
1 1215 . 7 1 1 A 113 113 ARG N N 113 121.228 126.710 -5.482 1
1 1216 . 7 1 1 A 114 114 THR H H 114 8.138 8.582 -0.444 1
1 1217 . 7 1 1 A 114 114 THR HA H 114 4.264 4.396 -0.132 1
1 1222 . 7 1 1 A 114 114 THR C C 114 174.043 173.821 0.222 1
1 1223 . 7 1 1 A 114 114 THR CA C 114 62.229 62.471 -0.242 1
1 1224 . 7 1 1 A 114 114 THR CB C 114 69.682 69.428 0.254 1
1 1226 . 7 1 1 A 114 114 THR N N 114 116.384 117.915 -1.531 1
1 1227 . 7 1 1 A 115 115 ASN H H 115 8.406 7.876 0.530 1
1 1228 . 7 1 1 A 115 115 ASN HA H 115 4.682 4.751 -0.069 1
1 1233 . 7 1 1 A 115 115 ASN C C 115 174.513 174.733 -0.220 1
1 1234 . 7 1 1 A 115 115 ASN CA C 115 53.242 52.875 0.367 1
1 1235 . 7 1 1 A 115 115 ASN CB C 115 38.888 39.000 -0.112 1
1 1236 . 7 1 1 A 115 115 ASN N N 115 120.871 120.492 0.379 1
1 1238 . 7 1 1 A 116 116 MET H H 116 8.138 9.149 -1.011 1
1 1239 . 7 1 1 A 116 116 MET CA C 116 53.400 52.383 1.017 1
1 1240 . 7 1 1 A 116 116 MET CB C 116 32.829 36.257 -3.428 1
1 1241 . 7 1 1 A 116 116 MET N N 116 121.611 123.353 -1.742 1
1 1242 . 7 1 1 A 117 117 PRO HA H 117 4.428 4.300 0.128 1
1 1245 . 7 1 1 A 117 117 PRO C C 117 175.935 177.287 -1.352 1
1 1246 . 7 1 1 A 117 117 PRO CA C 117 63.489 63.853 -0.364 1
1 1247 . 7 1 1 A 117 117 PRO CB C 117 32.105 31.396 0.709 1
1 1248 . 7 1 1 A 118 118 GLY H H 118 8.411 8.892 -0.481 1
1 1249 . 7 1 1 A 118 118 GLY HA2 H 118 3.927 3.917 0.010 1
1 1250 . 7 1 1 A 118 118 GLY HA3 H 118 4.389 3.917 0.472 1
1 1251 . 7 1 1 A 118 118 GLY C C 118 174.117 174.713 -0.596 1
1 1252 . 7 1 1 A 118 118 GLY CA C 118 45.470 45.440 0.030 1
1 1253 . 7 1 1 A 118 118 GLY N N 118 109.241 111.765 -2.524 1
1 1254 . 7 1 1 A 119 119 ILE H H 119 7.825 8.298 -0.473 1
1 1255 . 7 1 1 A 119 119 ILE HA H 119 4.234 3.851 0.383 1
1 1265 . 7 1 1 A 119 119 ILE C C 119 176.261 176.834 -0.573 1
1 1266 . 7 1 1 A 119 119 ILE CA C 119 61.029 62.227 -1.198 1
1 1267 . 7 1 1 A 119 119 ILE CB C 119 38.878 36.542 2.336 1
1 1270 . 7 1 1 A 119 119 ILE N N 119 119.504 120.138 -0.634 1
1 1271 . 7 1 1 A 120 120 SER H H 120 8.397 8.227 0.170 1
1 1272 . 7 1 1 A 120 120 SER HA H 120 4.534 4.616 -0.082 1
1 1274 . 7 1 1 A 120 120 SER C C 120 174.692 174.222 0.470 1
1 1275 . 7 1 1 A 120 120 SER CA C 120 58.150 58.574 -0.424 1
1 1276 . 7 1 1 A 120 120 SER CB C 120 63.997 64.892 -0.895 1
1 1277 . 7 1 1 A 120 120 SER N N 120 119.359 120.640 -1.281 1
1 1278 . 7 1 1 A 121 121 SER H H 121 8.371 8.046 0.325 1
1 1279 . 7 1 1 A 121 121 SER HA H 121 4.360 4.397 -0.037 1
1 1280 . 7 1 1 A 121 121 SER C C 121 174.809 174.090 0.719 1
1 1281 . 7 1 1 A 121 121 SER CA C 121 58.656 60.664 -2.008 1
1 1282 . 7 1 1 A 121 121 SER CB C 121 63.795 61.935 1.860 1
1 1283 . 7 1 1 A 121 121 SER N N 121 118.036 114.385 3.651 1
1 1284 . 7 1 1 A 122 122 THR H H 122 8.100 8.718 -0.618 1
1 1285 . 7 1 1 A 122 122 THR C C 122 174.254 173.648 0.606 1
1 1286 . 7 1 1 A 122 122 THR CA C 122 61.829 62.294 -0.465 1
1 1287 . 7 1 1 A 122 122 THR CB C 122 69.537 67.237 2.300 1
1 1288 . 7 1 1 A 122 122 THR N N 122 114.163 112.353 1.810 1
1 1289 . 7 1 1 A 123 123 ASP H H 123 8.197 8.121 0.076 1
1 1290 . 7 1 1 A 123 123 ASP HA H 123 4.641 4.943 -0.302 1
1 1292 . 7 1 1 A 123 123 ASP C C 123 174.975 175.356 -0.381 1
1 1293 . 7 1 1 A 123 123 ASP CA C 123 54.542 55.634 -1.092 1
1 1294 . 7 1 1 A 123 123 ASP CB C 123 41.144 43.435 -2.291 1
1 1295 . 7 1 1 A 123 123 ASP N N 123 122.772 125.040 -2.268 1
1 8 . 8 1 1 A 2 2 ILE H H 2 8.420 8.900 -0.480 1
1 9 . 8 1 1 A 2 2 ILE HA H 2 4.219 4.471 -0.252 1
1 11 . 8 1 1 A 2 2 ILE C C 2 175.424 175.038 0.386 1
1 12 . 8 1 1 A 2 2 ILE CA C 2 61.022 60.970 0.052 1
1 13 . 8 1 1 A 2 2 ILE CB C 2 38.918 36.880 2.038 1
1 14 . 8 1 1 A 2 2 ILE N N 2 120.314 123.681 -3.367 1
1 15 . 8 1 1 A 3 3 ALA H H 3 8.374 8.907 -0.533 1
1 16 . 8 1 1 A 3 3 ALA CA C 3 50.509 49.122 1.387 1
1 17 . 8 1 1 A 3 3 ALA CB C 3 18.608 20.332 -1.724 1
1 18 . 8 1 1 A 3 3 ALA N N 3 129.874 130.830 -0.956 1
1 19 . 8 1 1 A 4 4 PRO HA H 4 4.446 4.873 -0.427 1
1 22 . 8 1 1 A 4 4 PRO C C 4 176.949 175.815 1.134 1
1 23 . 8 1 1 A 4 4 PRO CA C 4 63.456 62.292 1.164 1
1 24 . 8 1 1 A 4 4 PRO CB C 4 32.203 30.490 1.713 1
1 25 . 8 1 1 A 5 5 CYS H H 5 8.347 8.789 -0.442 1
1 26 . 8 1 1 A 5 5 CYS HA H 5 4.492 4.948 -0.456 1
1 28 . 8 1 1 A 5 5 CYS C C 5 174.805 173.251 1.554 1
1 29 . 8 1 1 A 5 5 CYS CA C 5 58.495 57.687 0.808 1
1 30 . 8 1 1 A 5 5 CYS CB C 5 27.957 28.455 -0.498 1
1 31 . 8 1 1 A 5 5 CYS N N 5 118.477 124.144 -5.667 1
1 32 . 8 1 1 A 6 6 MET H H 6 8.421 9.191 -0.770 1
1 33 . 8 1 1 A 6 6 MET HA H 6 4.534 5.043 -0.509 1
1 35 . 8 1 1 A 6 6 MET C C 6 176.132 174.642 1.490 1
1 36 . 8 1 1 A 6 6 MET CA C 6 55.629 54.027 1.602 1
1 37 . 8 1 1 A 6 6 MET CB C 6 33.048 33.776 -0.728 1
1 38 . 8 1 1 A 6 6 MET N N 6 122.952 126.386 -3.434 1
1 39 . 8 1 1 A 7 7 GLN H H 7 8.313 8.473 -0.160 1
1 40 . 8 1 1 A 7 7 GLN HA H 7 4.435 5.114 -0.679 1
1 42 . 8 1 1 A 7 7 GLN C C 7 176.128 175.615 0.513 1
1 43 . 8 1 1 A 7 7 GLN CA C 7 56.109 54.244 1.865 1
1 44 . 8 1 1 A 7 7 GLN CB C 7 29.591 30.758 -1.167 1
1 45 . 8 1 1 A 7 7 GLN N N 7 121.379 123.984 -2.605 1
1 46 . 8 1 1 A 8 8 THR H H 8 8.195 9.014 -0.819 1
1 47 . 8 1 1 A 8 8 THR HA H 8 4.406 4.287 0.119 1
1 49 . 8 1 1 A 8 8 THR C C 8 174.739 174.368 0.371 1
1 50 . 8 1 1 A 8 8 THR CA C 8 61.856 63.083 -1.227 1
1 51 . 8 1 1 A 8 8 THR CB C 8 69.854 69.548 0.306 1
1 52 . 8 1 1 A 8 8 THR N N 8 115.096 118.290 -3.194 1
1 53 . 8 1 1 A 9 9 THR H H 9 8.081 7.947 0.134 1
1 54 . 8 1 1 A 9 9 THR HA H 9 4.335 3.979 0.356 1
1 56 . 8 1 1 A 9 9 THR C C 9 174.407 173.498 0.909 1
1 57 . 8 1 1 A 9 9 THR CA C 9 61.896 62.051 -0.155 1
1 58 . 8 1 1 A 9 9 THR CB C 9 69.811 67.423 2.388 1
1 59 . 8 1 1 A 9 9 THR N N 9 115.837 114.220 1.617 1
1 60 . 8 1 1 A 10 10 HIS H H 10 8.477 8.086 0.391 1
1 61 . 8 1 1 A 10 10 HIS HA H 10 4.788 5.011 -0.223 1
1 64 . 8 1 1 A 10 10 HIS C C 10 174.571 174.160 0.411 1
1 65 . 8 1 1 A 10 10 HIS CA C 10 55.477 54.186 1.291 1
1 66 . 8 1 1 A 10 10 HIS CB C 10 29.291 29.571 -0.280 1
1 67 . 8 1 1 A 10 10 HIS N N 10 120.606 119.603 1.003 1
1 68 . 8 1 1 A 11 11 SER H H 11 8.306 8.550 -0.244 1
1 69 . 8 1 1 A 11 11 SER HA H 11 4.448 4.887 -0.439 1
1 71 . 8 1 1 A 11 11 SER C C 11 174.512 172.548 1.964 1
1 72 . 8 1 1 A 11 11 SER CA C 11 58.557 57.579 0.978 1
1 73 . 8 1 1 A 11 11 SER CB C 11 63.943 65.947 -2.004 1
1 74 . 8 1 1 A 11 11 SER N N 11 117.043 116.040 1.003 1
1 75 . 8 1 1 A 12 12 LYS H H 12 8.402 8.801 -0.399 1
1 76 . 8 1 1 A 12 12 LYS HA H 12 4.359 5.158 -0.799 1
1 79 . 8 1 1 A 12 12 LYS C C 12 176.592 175.018 1.574 1
1 80 . 8 1 1 A 12 12 LYS CA C 12 56.634 55.025 1.609 1
1 81 . 8 1 1 A 12 12 LYS CB C 12 33.127 36.344 -3.217 1
1 82 . 8 1 1 A 12 12 LYS N N 12 123.023 118.451 4.572 1
1 83 . 8 1 1 A 13 13 MET H H 13 8.343 8.905 -0.562 1
1 84 . 8 1 1 A 13 13 MET HA H 13 4.530 4.574 -0.044 1
1 88 . 8 1 1 A 13 13 MET C C 13 176.373 176.235 0.138 1
1 89 . 8 1 1 A 13 13 MET CA C 13 55.680 56.847 -1.167 1
1 90 . 8 1 1 A 13 13 MET CB C 13 32.925 34.256 -1.331 1
1 91 . 8 1 1 A 13 13 MET N N 13 121.294 119.508 1.786 1
1 92 . 8 1 1 A 14 14 THR H H 14 8.068 8.001 0.067 1
1 93 . 8 1 1 A 14 14 THR HA H 14 4.333 4.029 0.304 1
1 97 . 8 1 1 A 14 14 THR C C 14 174.246 174.802 -0.556 1
1 98 . 8 1 1 A 14 14 THR CA C 14 61.770 62.942 -1.172 1
1 99 . 8 1 1 A 14 14 THR CB C 14 69.894 66.466 3.428 1
1 100 . 8 1 1 A 14 14 THR N N 14 115.254 113.648 1.606 1
1 101 . 8 1 1 A 15 15 ALA H H 15 8.289 8.068 0.221 1
1 102 . 8 1 1 A 15 15 ALA HA H 15 4.344 4.242 0.102 1
1 106 . 8 1 1 A 15 15 ALA C C 15 178.080 177.940 0.140 1
1 107 . 8 1 1 A 15 15 ALA CA C 15 52.779 52.577 0.202 1
1 108 . 8 1 1 A 15 15 ALA CB C 15 19.286 19.404 -0.118 1
1 109 . 8 1 1 A 15 15 ALA N N 15 126.372 121.941 4.431 1
1 110 . 8 1 1 A 16 16 GLY H H 16 8.291 8.211 0.080 1
1 111 . 8 1 1 A 16 16 GLY HA2 H 16 3.913 3.959 -0.046 1
1 112 . 8 1 1 A 16 16 GLY C C 16 173.788 174.163 -0.375 1
1 113 . 8 1 1 A 16 16 GLY CA C 16 45.298 46.120 -0.822 1
1 114 . 8 1 1 A 16 16 GLY N N 16 108.095 106.094 2.001 1
1 115 . 8 1 1 A 17 17 ALA H H 17 8.000 7.711 0.289 1
1 116 . 8 1 1 A 17 17 ALA HA H 17 4.292 4.539 -0.247 1
1 120 . 8 1 1 A 17 17 ALA C C 17 177.366 176.774 0.592 1
1 121 . 8 1 1 A 17 17 ALA CA C 17 52.518 50.660 1.858 1
1 122 . 8 1 1 A 17 17 ALA CB C 17 19.577 20.306 -0.729 1
1 123 . 8 1 1 A 17 17 ALA N N 17 123.370 121.621 1.749 1
1 124 . 8 1 1 A 18 18 TYR H H 18 8.135 8.117 0.018 1
1 125 . 8 1 1 A 18 18 TYR HA H 18 4.640 4.063 0.577 1
1 129 . 8 1 1 A 18 18 TYR C C 18 176.031 174.782 1.249 1
1 130 . 8 1 1 A 18 18 TYR CA C 18 57.973 59.201 -1.228 1
1 131 . 8 1 1 A 18 18 TYR CB C 18 38.661 35.359 3.302 1
1 132 . 8 1 1 A 18 18 TYR N N 18 119.212 120.913 -1.701 1
1 133 . 8 1 1 A 19 19 THR H H 19 7.912 7.838 0.074 1
1 134 . 8 1 1 A 19 19 THR HA H 19 4.267 4.286 -0.019 1
1 139 . 8 1 1 A 19 19 THR C C 19 173.995 174.572 -0.577 1
1 140 . 8 1 1 A 19 19 THR CA C 19 61.848 61.755 0.093 1
1 141 . 8 1 1 A 19 19 THR CB C 19 69.756 69.599 0.157 1
1 142 . 8 1 1 A 19 19 THR N N 19 115.764 115.330 0.434 1
1 143 . 8 1 1 A 20 20 GLU H H 20 8.077 8.936 -0.859 1
1 144 . 8 1 1 A 20 20 GLU HA H 20 4.301 4.466 -0.165 1
1 148 . 8 1 1 A 20 20 GLU C C 20 176.128 176.735 -0.607 1
1 149 . 8 1 1 A 20 20 GLU CA C 20 56.312 55.859 0.453 1
1 150 . 8 1 1 A 20 20 GLU CB C 20 30.423 30.045 0.378 1
1 152 . 8 1 1 A 20 20 GLU N N 20 122.553 124.215 -1.662 1
1 153 . 8 1 1 A 21 21 GLY H H 21 7.966 8.255 -0.289 1
1 154 . 8 1 1 A 21 21 GLY HA2 H 21 3.903 3.870 0.033 1
1 155 . 8 1 1 A 21 21 GLY CA C 21 44.257 46.939 -2.682 1
1 156 . 8 1 1 A 21 21 GLY N N 21 109.544 107.935 1.609 1
1 157 . 8 1 1 A 22 22 PRO HA H 22 4.232 4.300 -0.068 1
1 164 . 8 1 1 A 22 22 PRO CA C 22 61.109 65.530 -4.421 1
1 165 . 8 1 1 A 22 22 PRO CB C 22 30.711 31.209 -0.498 1
1 168 . 8 1 1 A 23 23 PRO HA H 23 4.363 4.552 -0.189 1
1 174 . 8 1 1 A 23 23 PRO C C 23 176.567 176.826 -0.259 1
1 175 . 8 1 1 A 23 23 PRO CA C 23 62.733 62.849 -0.116 1
1 176 . 8 1 1 A 23 23 PRO CB C 23 32.048 32.258 -0.210 1
1 179 . 8 1 1 A 24 24 GLN H H 24 8.286 8.292 -0.006 1
1 180 . 8 1 1 A 24 24 GLN HA H 24 4.479 4.485 -0.006 1
1 186 . 8 1 1 A 24 24 GLN CA C 24 53.763 54.389 -0.626 1
1 187 . 8 1 1 A 24 24 GLN CB C 24 28.800 29.121 -0.321 1
1 189 . 8 1 1 A 24 24 GLN N N 24 121.215 119.105 2.110 1
1 191 . 8 1 1 A 25 25 PRO HA H 25 4.389 4.595 -0.206 1
1 198 . 8 1 1 A 25 25 PRO C C 25 176.707 177.370 -0.663 1
1 199 . 8 1 1 A 25 25 PRO CA C 25 62.867 62.835 0.032 1
1 200 . 8 1 1 A 25 25 PRO CB C 25 32.174 31.559 0.615 1
1 203 . 8 1 1 A 26 26 LEU H H 26 8.244 8.013 0.231 1
1 204 . 8 1 1 A 26 26 LEU HA H 26 4.405 4.027 0.378 1
1 214 . 8 1 1 A 26 26 LEU C C 26 177.517 176.364 1.153 1
1 215 . 8 1 1 A 26 26 LEU CA C 26 54.643 57.439 -2.796 1
1 216 . 8 1 1 A 26 26 LEU CB C 26 43.618 41.135 2.483 1
1 220 . 8 1 1 A 26 26 LEU N N 26 122.745 123.824 -1.079 1
1 221 . 8 1 1 A 27 27 SER H H 27 8.758 7.832 0.926 1
1 222 . 8 1 1 A 27 27 SER HA H 27 4.474 4.828 -0.354 1
1 225 . 8 1 1 A 27 27 SER C C 27 174.789 175.030 -0.241 1
1 226 . 8 1 1 A 27 27 SER CA C 27 57.461 56.225 1.236 1
1 227 . 8 1 1 A 27 27 SER CB C 27 65.280 65.183 0.097 1
1 228 . 8 1 1 A 27 27 SER N N 27 117.967 114.048 3.919 1
1 229 . 8 1 1 A 28 28 ALA H H 28 8.841 9.137 -0.296 1
1 230 . 8 1 1 A 28 28 ALA HA H 28 4.037 3.919 0.118 1
1 234 . 8 1 1 A 28 28 ALA CA C 28 55.346 55.239 0.107 1
1 235 . 8 1 1 A 28 28 ALA CB C 28 18.347 18.208 0.139 1
1 236 . 8 1 1 A 28 28 ALA N N 28 124.144 129.542 -5.398 1
1 237 . 8 1 1 A 29 29 GLU H H 29 8.565 7.550 1.015 1
1 238 . 8 1 1 A 29 29 GLU HA H 29 4.026 4.087 -0.061 1
1 242 . 8 1 1 A 29 29 GLU C C 29 178.877 179.229 -0.352 1
1 243 . 8 1 1 A 29 29 GLU CA C 29 59.430 58.903 0.527 1
1 244 . 8 1 1 A 29 29 GLU CB C 29 29.244 29.081 0.163 1
1 246 . 8 1 1 A 29 29 GLU N N 29 117.527 118.377 -0.850 1
1 247 . 8 1 1 A 30 30 GLU H H 30 7.823 8.120 -0.297 1
1 248 . 8 1 1 A 30 30 GLU HA H 30 4.054 4.086 -0.032 1
1 253 . 8 1 1 A 30 30 GLU C C 30 179.191 179.103 0.088 1
1 254 . 8 1 1 A 30 30 GLU CA C 30 59.037 59.275 -0.238 1
1 255 . 8 1 1 A 30 30 GLU CB C 30 30.102 29.261 0.841 1
1 257 . 8 1 1 A 30 30 GLU N N 30 120.773 120.209 0.564 1
1 258 . 8 1 1 A 31 31 LYS H H 31 8.246 7.654 0.592 1
1 259 . 8 1 1 A 31 31 LYS HA H 31 3.844 4.083 -0.239 1
1 266 . 8 1 1 A 31 31 LYS C C 31 177.968 178.880 -0.912 1
1 267 . 8 1 1 A 31 31 LYS CA C 31 59.889 59.527 0.362 1
1 268 . 8 1 1 A 31 31 LYS CB C 31 32.350 32.139 0.211 1
1 272 . 8 1 1 A 31 31 LYS N N 31 119.315 119.425 -0.110 1
1 273 . 8 1 1 A 32 32 LYS H H 32 7.698 8.112 -0.414 1
1 274 . 8 1 1 A 32 32 LYS HA H 32 4.043 3.948 0.095 1
1 282 . 8 1 1 A 32 32 LYS C C 32 178.848 179.050 -0.202 1
1 283 . 8 1 1 A 32 32 LYS CA C 32 59.479 59.801 -0.322 1
1 284 . 8 1 1 A 32 32 LYS CB C 32 32.459 32.267 0.192 1
1 288 . 8 1 1 A 32 32 LYS N N 32 118.195 120.300 -2.105 1
1 289 . 8 1 1 A 33 33 GLU H H 33 7.512 8.148 -0.636 1
1 290 . 8 1 1 A 33 33 GLU HA H 33 4.031 4.080 -0.049 1
1 295 . 8 1 1 A 33 33 GLU C C 33 178.989 179.789 -0.800 1
1 296 . 8 1 1 A 33 33 GLU CA C 33 59.157 58.948 0.209 1
1 297 . 8 1 1 A 33 33 GLU CB C 33 29.220 29.703 -0.483 1
1 299 . 8 1 1 A 33 33 GLU N N 33 118.459 119.212 -0.753 1
1 300 . 8 1 1 A 34 34 ILE H H 34 7.912 7.820 0.092 1
1 301 . 8 1 1 A 34 34 ILE HA H 34 3.503 3.825 -0.322 1
1 311 . 8 1 1 A 34 34 ILE C C 34 180.639 177.728 2.911 1
1 312 . 8 1 1 A 34 34 ILE CA C 34 65.305 64.132 1.173 1
1 313 . 8 1 1 A 34 34 ILE CB C 34 38.540 37.462 1.078 1
1 317 . 8 1 1 A 34 34 ILE N N 34 120.176 118.085 2.091 1
1 318 . 8 1 1 A 35 35 ASP H H 35 8.457 8.597 -0.140 1
1 319 . 8 1 1 A 35 35 ASP HA H 35 4.145 4.346 -0.201 1
1 322 . 8 1 1 A 35 35 ASP C C 35 178.790 179.164 -0.374 1
1 323 . 8 1 1 A 35 35 ASP CA C 35 58.322 57.889 0.433 1
1 324 . 8 1 1 A 35 35 ASP CB C 35 39.538 40.899 -1.361 1
1 325 . 8 1 1 A 35 35 ASP N N 35 123.589 121.534 2.055 1
1 326 . 8 1 1 A 36 36 LYS H H 36 7.573 7.940 -0.367 1
1 327 . 8 1 1 A 36 36 LYS HA H 36 4.187 4.109 0.078 1
1 334 . 8 1 1 A 36 36 LYS C C 36 176.400 177.917 -1.517 1
1 335 . 8 1 1 A 36 36 LYS CA C 36 58.656 59.008 -0.352 1
1 336 . 8 1 1 A 36 36 LYS CB C 36 32.991 31.948 1.043 1
1 340 . 8 1 1 A 36 36 LYS N N 36 117.506 119.222 -1.716 1
1 341 . 8 1 1 A 37 37 ARG H H 37 7.397 7.379 0.018 1
1 342 . 8 1 1 A 37 37 ARG HA H 37 4.658 4.584 0.074 1
1 348 . 8 1 1 A 37 37 ARG C C 37 174.361 175.651 -1.290 1
1 349 . 8 1 1 A 37 37 ARG CA C 37 55.793 55.332 0.461 1
1 350 . 8 1 1 A 37 37 ARG CB C 37 31.260 30.072 1.188 1
1 353 . 8 1 1 A 37 37 ARG N N 37 115.182 117.382 -2.200 1
1 354 . 8 1 1 A 38 38 SER H H 38 7.416 7.547 -0.131 1
1 355 . 8 1 1 A 38 38 SER HA H 38 6.346 5.152 1.194 1
1 358 . 8 1 1 A 38 38 SER C C 38 173.807 173.677 0.130 1
1 359 . 8 1 1 A 38 38 SER CA C 38 57.574 57.760 -0.186 1
1 360 . 8 1 1 A 38 38 SER CB C 38 67.003 65.471 1.532 1
1 361 . 8 1 1 A 38 38 SER N N 38 112.872 117.993 -5.121 1
1 362 . 8 1 1 A 39 39 VAL H H 39 8.812 8.920 -0.108 1
1 363 . 8 1 1 A 39 39 VAL HA H 39 5.117 5.177 -0.060 1
1 371 . 8 1 1 A 39 39 VAL C C 39 174.519 173.386 1.133 1
1 372 . 8 1 1 A 39 39 VAL CA C 39 59.085 59.081 0.004 1
1 373 . 8 1 1 A 39 39 VAL CB C 39 34.476 35.651 -1.175 1
1 376 . 8 1 1 A 39 39 VAL N N 39 111.961 117.172 -5.211 1
1 377 . 8 1 1 A 40 40 TYR H H 40 9.366 9.565 -0.199 1
1 378 . 8 1 1 A 40 40 TYR HA H 40 5.108 5.512 -0.404 1
1 385 . 8 1 1 A 40 40 TYR C C 40 172.976 173.875 -0.899 1
1 386 . 8 1 1 A 40 40 TYR CA C 40 56.633 55.951 0.682 1
1 387 . 8 1 1 A 40 40 TYR CB C 40 41.058 41.669 -0.611 1
1 390 . 8 1 1 A 40 40 TYR N N 40 123.743 124.818 -1.075 1
1 391 . 8 1 1 A 41 41 VAL H H 41 8.734 9.237 -0.503 1
1 392 . 8 1 1 A 41 41 VAL HA H 41 4.876 4.724 0.152 1
1 400 . 8 1 1 A 41 41 VAL C C 41 174.651 174.870 -0.219 1
1 401 . 8 1 1 A 41 41 VAL CA C 41 59.798 60.575 -0.777 1
1 402 . 8 1 1 A 41 41 VAL CB C 41 33.329 32.993 0.336 1
1 405 . 8 1 1 A 41 41 VAL N N 41 127.436 126.974 0.462 1
1 406 . 8 1 1 A 42 42 GLY H H 42 9.669 8.747 0.922 1
1 407 . 8 1 1 A 42 42 GLY HA2 H 42 3.612 3.875 -0.263 1
1 408 . 8 1 1 A 42 42 GLY HA3 H 42 4.392 4.067 0.325 1
1 409 . 8 1 1 A 42 42 GLY C C 42 173.639 174.428 -0.789 1
1 410 . 8 1 1 A 42 42 GLY CA C 42 44.169 43.577 0.592 1
1 411 . 8 1 1 A 42 42 GLY N N 42 113.263 114.907 -1.644 1
1 412 . 8 1 1 A 43 43 ASN H H 43 8.412 8.662 -0.250 1
1 413 . 8 1 1 A 43 43 ASN HA H 43 4.510 4.418 0.092 1
1 418 . 8 1 1 A 43 43 ASN C C 43 174.364 175.106 -0.742 1
1 419 . 8 1 1 A 43 43 ASN CA C 43 53.557 54.373 -0.816 1
1 420 . 8 1 1 A 43 43 ASN CB C 43 37.283 38.219 -0.936 1
1 421 . 8 1 1 A 43 43 ASN N N 43 115.451 118.881 -3.430 1
1 423 . 8 1 1 A 44 44 VAL H H 44 7.083 7.436 -0.353 1
1 424 . 8 1 1 A 44 44 VAL HA H 44 3.975 4.047 -0.072 1
1 432 . 8 1 1 A 44 44 VAL C C 44 175.885 174.218 1.667 1
1 433 . 8 1 1 A 44 44 VAL CA C 44 61.614 62.346 -0.732 1
1 434 . 8 1 1 A 44 44 VAL CB C 44 32.914 32.787 0.127 1
1 437 . 8 1 1 A 44 44 VAL N N 44 115.399 119.766 -4.367 1
1 438 . 8 1 1 A 45 45 ASP H H 45 8.305 8.365 -0.060 1
1 439 . 8 1 1 A 45 45 ASP HA H 45 4.467 5.047 -0.580 1
1 442 . 8 1 1 A 45 45 ASP C C 45 177.205 176.355 0.850 1
1 443 . 8 1 1 A 45 45 ASP CA C 45 54.613 52.507 2.106 1
1 444 . 8 1 1 A 45 45 ASP CB C 45 43.657 43.392 0.265 1
1 445 . 8 1 1 A 45 45 ASP N N 45 124.440 128.353 -3.913 1
1 446 . 8 1 1 A 46 46 TYR H H 46 8.715 9.164 -0.449 1
1 447 . 8 1 1 A 46 46 TYR HA H 46 4.483 4.227 0.256 1
1 454 . 8 1 1 A 46 46 TYR C C 46 175.453 178.681 -3.228 1
1 455 . 8 1 1 A 46 46 TYR CA C 46 59.464 60.080 -0.616 1
1 456 . 8 1 1 A 46 46 TYR CB C 46 38.753 37.419 1.334 1
1 458 . 8 1 1 A 46 46 TYR N N 46 125.588 124.287 1.301 1
1 459 . 8 1 1 A 47 47 GLY H H 47 8.387 8.485 -0.098 1
1 460 . 8 1 1 A 47 47 GLY HA2 H 47 3.561 4.044 -0.483 1
1 461 . 8 1 1 A 47 47 GLY HA3 H 47 4.348 4.049 0.299 1
1 462 . 8 1 1 A 47 47 GLY C C 47 173.578 174.359 -0.781 1
1 463 . 8 1 1 A 47 47 GLY CA C 47 44.965 45.845 -0.880 1
1 464 . 8 1 1 A 47 47 GLY N N 47 106.974 108.310 -1.336 1
1 465 . 8 1 1 A 48 48 SER H H 48 7.417 7.998 -0.581 1
1 466 . 8 1 1 A 48 48 SER HA H 48 4.428 4.855 -0.427 1
1 468 . 8 1 1 A 48 48 SER C C 48 173.220 173.749 -0.529 1
1 469 . 8 1 1 A 48 48 SER CA C 48 59.892 58.823 1.069 1
1 470 . 8 1 1 A 48 48 SER CB C 48 64.519 64.479 0.040 1
1 471 . 8 1 1 A 48 48 SER N N 48 115.423 116.576 -1.153 1
1 472 . 8 1 1 A 49 49 THR H H 49 8.474 8.701 -0.227 1
1 473 . 8 1 1 A 49 49 THR HA H 49 4.660 4.986 -0.326 1
1 478 . 8 1 1 A 49 49 THR C C 49 175.940 175.678 0.262 1
1 479 . 8 1 1 A 49 49 THR CA C 49 58.831 60.019 -1.188 1
1 480 . 8 1 1 A 49 49 THR CB C 49 72.585 72.323 0.262 1
1 482 . 8 1 1 A 49 49 THR N N 49 112.103 116.245 -4.142 1
1 483 . 8 1 1 A 50 50 ALA H H 50 9.723 8.972 0.751 1
1 484 . 8 1 1 A 50 50 ALA HA H 50 3.923 4.045 -0.122 1
1 488 . 8 1 1 A 50 50 ALA C C 50 179.045 180.031 -0.986 1
1 489 . 8 1 1 A 50 50 ALA CA C 50 55.643 55.581 0.062 1
1 490 . 8 1 1 A 50 50 ALA CB C 50 18.259 18.238 0.021 1
1 491 . 8 1 1 A 50 50 ALA N N 50 123.988 124.066 -0.078 1
1 492 . 8 1 1 A 51 51 GLN H H 51 7.730 8.167 -0.437 1
1 493 . 8 1 1 A 51 51 GLN HA H 51 3.940 4.068 -0.128 1
1 500 . 8 1 1 A 51 51 GLN C C 51 178.215 177.727 0.488 1
1 501 . 8 1 1 A 51 51 GLN CA C 51 59.096 58.614 0.482 1
1 502 . 8 1 1 A 51 51 GLN CB C 51 28.508 28.064 0.444 1
1 504 . 8 1 1 A 51 51 GLN N N 51 116.375 116.786 -0.411 1
1 505 . 8 1 1 A 52 52 ASP H H 52 8.273 8.126 0.147 1
1 506 . 8 1 1 A 52 52 ASP HA H 52 4.587 4.547 0.040 1
1 507 . 8 1 1 A 52 52 ASP C C 52 179.837 179.066 0.771 1
1 508 . 8 1 1 A 52 52 ASP CA C 52 57.556 57.305 0.251 1
1 509 . 8 1 1 A 52 52 ASP CB C 52 41.057 41.071 -0.014 1
1 510 . 8 1 1 A 52 52 ASP N N 52 120.755 120.332 0.423 1
1 511 . 8 1 1 A 53 53 LEU H H 53 7.855 8.241 -0.386 1
1 512 . 8 1 1 A 53 53 LEU HA H 53 3.933 4.124 -0.191 1
1 522 . 8 1 1 A 53 53 LEU C C 53 178.463 179.309 -0.846 1
1 523 . 8 1 1 A 53 53 LEU CA C 53 58.367 58.107 0.260 1
1 524 . 8 1 1 A 53 53 LEU CB C 53 42.646 41.431 1.215 1
1 528 . 8 1 1 A 53 53 LEU N N 53 122.035 120.696 1.339 1
1 529 . 8 1 1 A 54 54 GLU H H 54 8.804 9.051 -0.247 1
1 530 . 8 1 1 A 54 54 GLU HA H 54 3.745 4.090 -0.345 1
1 534 . 8 1 1 A 54 54 GLU C C 54 178.467 178.545 -0.078 1
1 535 . 8 1 1 A 54 54 GLU CA C 54 59.833 59.776 0.057 1
1 536 . 8 1 1 A 54 54 GLU CB C 54 29.238 29.418 -0.180 1
1 538 . 8 1 1 A 54 54 GLU N N 54 120.472 119.476 0.996 1
1 539 . 8 1 1 A 55 55 ALA H H 55 8.098 8.217 -0.119 1
1 540 . 8 1 1 A 55 55 ALA HA H 55 4.249 4.218 0.031 1
1 544 . 8 1 1 A 55 55 ALA C C 55 180.711 179.840 0.871 1
1 545 . 8 1 1 A 55 55 ALA CA C 55 55.077 54.971 0.106 1
1 546 . 8 1 1 A 55 55 ALA CB C 55 18.164 18.110 0.054 1
1 547 . 8 1 1 A 55 55 ALA N N 55 119.302 122.209 -2.907 1
1 548 . 8 1 1 A 56 56 HIS H H 56 7.927 7.642 0.285 1
1 549 . 8 1 1 A 56 56 HIS HA H 56 4.281 4.279 0.002 1
1 553 . 8 1 1 A 56 56 HIS C C 56 176.342 177.180 -0.838 1
1 554 . 8 1 1 A 56 56 HIS CA C 56 59.362 59.379 -0.017 1
1 555 . 8 1 1 A 56 56 HIS CB C 56 31.200 29.673 1.527 1
1 556 . 8 1 1 A 56 56 HIS N N 56 117.016 118.128 -1.112 1
1 557 . 8 1 1 A 57 57 PHE H H 57 7.811 8.255 -0.444 1
1 558 . 8 1 1 A 57 57 PHE HA H 57 4.554 4.474 0.080 1
1 565 . 8 1 1 A 57 57 PHE C C 57 177.301 177.930 -0.629 1
1 566 . 8 1 1 A 57 57 PHE CA C 57 59.480 61.800 -2.320 1
1 567 . 8 1 1 A 57 57 PHE CB C 57 40.432 38.892 1.540 1
1 571 . 8 1 1 A 57 57 PHE N N 57 111.423 115.539 -4.116 1
1 572 . 8 1 1 A 58 58 SER H H 58 8.126 8.437 -0.311 1
1 573 . 8 1 1 A 58 58 SER HA H 58 4.468 4.677 -0.209 1
1 575 . 8 1 1 A 58 58 SER C C 58 176.676 177.127 -0.451 1
1 576 . 8 1 1 A 58 58 SER CA C 58 62.159 61.274 0.885 1
1 577 . 8 1 1 A 58 58 SER N N 58 118.439 116.386 2.053 1
1 578 . 8 1 1 A 59 59 SER H H 59 8.422 7.692 0.730 1
1 579 . 8 1 1 A 59 59 SER HA H 59 4.291 4.183 0.108 1
1 581 . 8 1 1 A 59 59 SER C C 59 175.955 175.497 0.458 1
1 582 . 8 1 1 A 59 59 SER CA C 59 60.277 61.209 -0.932 1
1 583 . 8 1 1 A 59 59 SER CB C 59 62.444 62.929 -0.485 1
1 584 . 8 1 1 A 59 59 SER N N 59 116.618 116.677 -0.059 1
1 585 . 8 1 1 A 60 60 CYS H H 60 8.226 7.894 0.332 1
1 586 . 8 1 1 A 60 60 CYS HA H 60 4.067 4.507 -0.440 1
1 589 . 8 1 1 A 60 60 CYS C C 60 174.682 174.403 0.279 1
1 590 . 8 1 1 A 60 60 CYS CA C 60 60.683 59.475 1.208 1
1 591 . 8 1 1 A 60 60 CYS CB C 60 28.894 28.420 0.474 1
1 592 . 8 1 1 A 60 60 CYS N N 60 118.900 117.610 1.290 1
1 593 . 8 1 1 A 61 61 GLY H H 61 7.414 7.216 0.198 1
1 594 . 8 1 1 A 61 61 GLY HA2 H 61 3.887 3.993 -0.106 1
1 595 . 8 1 1 A 61 61 GLY HA3 H 61 4.489 4.094 0.395 1
1 596 . 8 1 1 A 61 61 GLY C C 61 171.619 172.362 -0.743 1
1 597 . 8 1 1 A 61 61 GLY CA C 61 44.000 45.048 -1.048 1
1 598 . 8 1 1 A 61 61 GLY N N 61 106.320 108.908 -2.588 1
1 599 . 8 1 1 A 62 62 SER H H 62 8.182 8.501 -0.319 1
1 600 . 8 1 1 A 62 62 SER HA H 62 4.420 5.188 -0.768 1
1 603 . 8 1 1 A 62 62 SER C C 62 175.295 174.301 0.994 1
1 604 . 8 1 1 A 62 62 SER CA C 62 59.839 58.516 1.323 1
1 605 . 8 1 1 A 62 62 SER CB C 62 63.617 64.059 -0.442 1
1 606 . 8 1 1 A 62 62 SER N N 62 112.485 117.274 -4.789 1
1 607 . 8 1 1 A 63 63 ILE H H 63 8.857 9.103 -0.246 1
1 608 . 8 1 1 A 63 63 ILE HA H 63 4.007 4.194 -0.187 1
1 618 . 8 1 1 A 63 63 ILE C C 63 175.045 175.643 -0.598 1
1 619 . 8 1 1 A 63 63 ILE CA C 63 61.979 61.360 0.619 1
1 620 . 8 1 1 A 63 63 ILE CB C 63 41.048 38.004 3.044 1
1 624 . 8 1 1 A 63 63 ILE N N 63 127.966 126.838 1.128 1
1 625 . 8 1 1 A 64 64 ASN H H 64 8.897 9.078 -0.181 1
1 626 . 8 1 1 A 64 64 ASN HA H 64 4.667 5.013 -0.346 1
1 631 . 8 1 1 A 64 64 ASN C C 64 174.686 175.482 -0.796 1
1 632 . 8 1 1 A 64 64 ASN CA C 64 53.627 54.815 -1.188 1
1 633 . 8 1 1 A 64 64 ASN CB C 64 40.062 40.624 -0.562 1
1 634 . 8 1 1 A 64 64 ASN N N 64 124.997 125.985 -0.988 1
1 636 . 8 1 1 A 65 65 ARG H H 65 7.419 7.491 -0.072 1
1 637 . 8 1 1 A 65 65 ARG HA H 65 5.155 4.880 0.275 1
1 645 . 8 1 1 A 65 65 ARG C C 65 173.788 174.275 -0.487 1
1 646 . 8 1 1 A 65 65 ARG CA C 65 55.703 54.756 0.947 1
1 647 . 8 1 1 A 65 65 ARG CB C 65 35.408 35.070 0.338 1
1 650 . 8 1 1 A 65 65 ARG N N 65 116.737 116.605 0.132 1
1 652 . 8 1 1 A 66 66 ILE H H 66 8.681 8.660 0.021 1
1 653 . 8 1 1 A 66 66 ILE HA H 66 4.574 5.174 -0.600 1
1 663 . 8 1 1 A 66 66 ILE C C 66 173.717 174.268 -0.551 1
1 664 . 8 1 1 A 66 66 ILE CA C 66 61.049 59.089 1.960 1
1 665 . 8 1 1 A 66 66 ILE CB C 66 42.988 42.217 0.771 1
1 669 . 8 1 1 A 66 66 ILE N N 66 123.359 117.692 5.667 1
1 670 . 8 1 1 A 67 67 THR H H 67 8.861 9.036 -0.175 1
1 671 . 8 1 1 A 67 67 THR HA H 67 5.378 5.063 0.315 1
1 676 . 8 1 1 A 67 67 THR C C 67 173.526 173.427 0.099 1
1 677 . 8 1 1 A 67 67 THR CA C 67 61.112 61.889 -0.777 1
1 678 . 8 1 1 A 67 67 THR CB C 67 70.857 70.608 0.249 1
1 680 . 8 1 1 A 67 67 THR N N 67 124.375 118.989 5.386 1
1 681 . 8 1 1 A 68 68 ILE H H 68 9.768 9.165 0.603 1
1 682 . 8 1 1 A 68 68 ILE HA H 68 4.333 4.653 -0.320 1
1 692 . 8 1 1 A 68 68 ILE C C 68 173.743 174.736 -0.993 1
1 693 . 8 1 1 A 68 68 ILE CA C 68 61.237 59.812 1.425 1
1 694 . 8 1 1 A 68 68 ILE CB C 68 40.908 40.249 0.659 1
1 698 . 8 1 1 A 68 68 ILE N N 68 127.340 128.671 -1.331 1
1 699 . 8 1 1 A 69 69 LEU H H 69 9.045 9.121 -0.076 1
1 700 . 8 1 1 A 69 69 LEU HA H 69 5.074 5.017 0.057 1
1 710 . 8 1 1 A 69 69 LEU C C 69 175.502 175.052 0.450 1
1 711 . 8 1 1 A 69 69 LEU CA C 69 55.186 53.040 2.146 1
1 712 . 8 1 1 A 69 69 LEU CB C 69 42.702 44.175 -1.473 1
1 716 . 8 1 1 A 69 69 LEU N N 69 128.686 125.896 2.790 1
1 717 . 8 1 1 A 70 70 CYS H H 70 8.767 8.795 -0.028 1
1 718 . 8 1 1 A 70 70 CYS HA H 70 5.237 5.236 0.001 1
1 720 . 8 1 1 A 70 70 CYS C C 70 173.558 173.331 0.227 1
1 721 . 8 1 1 A 70 70 CYS CA C 70 57.609 56.562 1.047 1
1 722 . 8 1 1 A 70 70 CYS CB C 70 29.830 29.347 0.483 1
1 723 . 8 1 1 A 70 70 CYS N N 70 120.856 121.745 -0.889 1
1 724 . 8 1 1 A 71 71 ASP H H 71 9.109 9.122 -0.013 1
1 725 . 8 1 1 A 71 71 ASP HA H 71 5.193 5.612 -0.419 1
1 728 . 8 1 1 A 71 71 ASP C C 71 175.440 176.023 -0.583 1
1 729 . 8 1 1 A 71 71 ASP CA C 71 53.705 52.291 1.414 1
1 730 . 8 1 1 A 71 71 ASP CB C 71 44.774 43.858 0.916 1
1 731 . 8 1 1 A 71 71 ASP N N 71 124.936 123.290 1.646 1
1 732 . 8 1 1 A 72 72 LYS H H 72 8.262 8.886 -0.624 1
1 733 . 8 1 1 A 72 72 LYS HA H 72 4.553 4.583 -0.030 1
1 740 . 8 1 1 A 72 72 LYS C C 72 177.732 176.895 0.837 1
1 741 . 8 1 1 A 72 72 LYS CA C 72 55.608 55.989 -0.381 1
1 742 . 8 1 1 A 72 72 LYS CB C 72 32.469 32.673 -0.204 1
1 745 . 8 1 1 A 72 72 LYS N N 72 120.339 120.466 -0.127 1
1 746 . 8 1 1 A 73 73 PHE H H 73 8.663 8.262 0.401 1
1 747 . 8 1 1 A 73 73 PHE HA H 73 4.357 4.393 -0.036 1
1 752 . 8 1 1 A 73 73 PHE C C 73 177.148 176.930 0.218 1
1 753 . 8 1 1 A 73 73 PHE CA C 73 60.214 59.940 0.274 1
1 754 . 8 1 1 A 73 73 PHE CB C 73 39.157 37.754 1.403 1
1 756 . 8 1 1 A 73 73 PHE N N 73 121.961 120.233 1.728 1
1 757 . 8 1 1 A 74 74 SER H H 74 8.780 7.258 1.522 1
1 758 . 8 1 1 A 74 74 SER HA H 74 4.353 4.591 -0.238 1
1 760 . 8 1 1 A 74 74 SER C C 74 174.810 174.713 0.097 1
1 761 . 8 1 1 A 74 74 SER CA C 74 58.965 58.230 0.735 1
1 762 . 8 1 1 A 74 74 SER CB C 74 63.650 63.466 0.184 1
1 763 . 8 1 1 A 74 74 SER N N 74 114.021 114.521 -0.500 1
1 764 . 8 1 1 A 75 75 GLY H H 75 8.004 8.399 -0.395 1
1 765 . 8 1 1 A 75 75 GLY HA2 H 75 3.635 3.955 -0.320 1
1 766 . 8 1 1 A 75 75 GLY HA3 H 75 4.221 3.999 0.222 1
1 767 . 8 1 1 A 75 75 GLY C C 75 173.254 174.261 -1.007 1
1 768 . 8 1 1 A 75 75 GLY CA C 75 45.162 45.532 -0.370 1
1 769 . 8 1 1 A 75 75 GLY N N 75 108.714 109.855 -1.141 1
1 770 . 8 1 1 A 76 76 HIS H H 76 7.670 7.983 -0.313 1
1 771 . 8 1 1 A 76 76 HIS HA H 76 5.020 4.689 0.331 1
1 775 . 8 1 1 A 76 76 HIS CA C 76 52.522 54.026 -1.504 1
1 776 . 8 1 1 A 76 76 HIS CB C 76 29.410 30.546 -1.136 1
1 777 . 8 1 1 A 76 76 HIS N N 76 118.164 119.136 -0.972 1
1 778 . 8 1 1 A 77 77 PRO HA H 77 4.551 4.965 -0.414 1
1 784 . 8 1 1 A 77 77 PRO C C 77 176.458 176.740 -0.282 1
1 785 . 8 1 1 A 77 77 PRO CA C 77 63.263 63.153 0.110 1
1 786 . 8 1 1 A 77 77 PRO CB C 77 32.077 31.884 0.193 1
1 789 . 8 1 1 A 78 78 LYS H H 78 8.846 8.936 -0.090 1
1 790 . 8 1 1 A 78 78 LYS HA H 78 4.772 4.889 -0.117 1
1 796 . 8 1 1 A 78 78 LYS CA C 78 55.964 54.650 1.314 1
1 797 . 8 1 1 A 78 78 LYS CB C 78 35.816 34.581 1.235 1
1 799 . 8 1 1 A 78 78 LYS N N 78 124.197 122.306 1.891 1
1 800 . 8 1 1 A 79 79 GLY H H 79 8.352 8.408 -0.056 1
1 801 . 8 1 1 A 79 79 GLY HA2 H 79 3.871 4.130 -0.259 1
1 802 . 8 1 1 A 79 79 GLY HA3 H 79 5.451 4.166 1.285 1
1 803 . 8 1 1 A 79 79 GLY C C 79 173.400 171.811 1.589 1
1 804 . 8 1 1 A 79 79 GLY CA C 79 45.189 45.856 -0.667 1
1 805 . 8 1 1 A 79 79 GLY N N 79 109.568 107.864 1.704 1
1 806 . 8 1 1 A 80 80 TYR H H 80 8.856 8.735 0.121 1
1 807 . 8 1 1 A 80 80 TYR HA H 80 4.940 5.218 -0.278 1
1 814 . 8 1 1 A 80 80 TYR C C 80 171.720 172.828 -1.108 1
1 815 . 8 1 1 A 80 80 TYR CA C 80 56.267 56.277 -0.010 1
1 816 . 8 1 1 A 80 80 TYR CB C 80 40.003 41.880 -1.877 1
1 818 . 8 1 1 A 80 80 TYR N N 80 120.052 116.731 3.321 1
1 819 . 8 1 1 A 81 81 ALA H H 81 9.215 8.854 0.361 1
1 820 . 8 1 1 A 81 81 ALA HA H 81 5.386 5.144 0.242 1
1 824 . 8 1 1 A 81 81 ALA C C 81 175.357 175.210 0.147 1
1 825 . 8 1 1 A 81 81 ALA CA C 81 50.089 50.286 -0.197 1
1 826 . 8 1 1 A 81 81 ALA CB C 81 24.030 23.594 0.436 1
1 827 . 8 1 1 A 81 81 ALA N N 81 120.138 121.645 -1.507 1
1 828 . 8 1 1 A 82 82 TYR H H 82 8.974 9.078 -0.104 1
1 829 . 8 1 1 A 82 82 TYR HA H 82 5.885 5.555 0.330 1
1 836 . 8 1 1 A 82 82 TYR C C 82 176.232 174.370 1.862 1
1 837 . 8 1 1 A 82 82 TYR CA C 82 55.626 56.792 -1.166 1
1 838 . 8 1 1 A 82 82 TYR CB C 82 41.536 41.107 0.429 1
1 839 . 8 1 1 A 82 82 TYR N N 82 114.621 117.951 -3.330 1
1 840 . 8 1 1 A 83 83 ILE H H 83 8.644 8.555 0.089 1
1 841 . 8 1 1 A 83 83 ILE HA H 83 4.275 4.399 -0.124 1
1 851 . 8 1 1 A 83 83 ILE C C 83 173.516 174.526 -1.010 1
1 852 . 8 1 1 A 83 83 ILE CA C 83 60.345 59.753 0.592 1
1 853 . 8 1 1 A 83 83 ILE CB C 83 39.535 38.270 1.265 1
1 857 . 8 1 1 A 83 83 ILE N N 83 122.447 124.131 -1.684 1
1 858 . 8 1 1 A 84 84 GLU H H 84 8.612 9.199 -0.587 1
1 859 . 8 1 1 A 84 84 GLU HA H 84 4.801 4.857 -0.056 1
1 862 . 8 1 1 A 84 84 GLU C C 84 176.111 175.421 0.690 1
1 863 . 8 1 1 A 84 84 GLU CA C 84 54.496 54.865 -0.369 1
1 864 . 8 1 1 A 84 84 GLU CB C 84 31.499 31.326 0.173 1
1 865 . 8 1 1 A 84 84 GLU N N 84 127.346 126.903 0.443 1
1 866 . 8 1 1 A 85 85 PHE H H 85 9.087 9.362 -0.275 1
1 867 . 8 1 1 A 85 85 PHE HA H 85 4.817 5.175 -0.358 1
1 875 . 8 1 1 A 85 85 PHE C C 85 174.422 176.452 -2.030 1
1 876 . 8 1 1 A 85 85 PHE CA C 85 59.072 57.581 1.491 1
1 877 . 8 1 1 A 85 85 PHE CB C 85 40.765 41.567 -0.802 1
1 878 . 8 1 1 A 85 85 PHE N N 85 128.049 123.441 4.608 1
1 879 . 8 1 1 A 86 86 ALA H H 86 8.192 9.418 -1.226 1
1 880 . 8 1 1 A 86 86 ALA HA H 86 4.239 4.300 -0.061 1
1 884 . 8 1 1 A 86 86 ALA C C 86 178.143 177.707 0.436 1
1 885 . 8 1 1 A 86 86 ALA CA C 86 54.524 53.831 0.693 1
1 886 . 8 1 1 A 86 86 ALA CB C 86 19.510 19.887 -0.377 1
1 887 . 8 1 1 A 86 86 ALA N N 86 120.669 122.865 -2.196 1
1 888 . 8 1 1 A 87 87 GLU H H 87 8.455 7.904 0.551 1
1 889 . 8 1 1 A 87 87 GLU HA H 87 4.765 4.740 0.025 1
1 893 . 8 1 1 A 87 87 GLU C C 87 176.472 176.455 0.017 1
1 894 . 8 1 1 A 87 87 GLU CA C 87 54.353 54.963 -0.610 1
1 895 . 8 1 1 A 87 87 GLU CB C 87 32.624 31.838 0.786 1
1 897 . 8 1 1 A 87 87 GLU N N 87 114.204 117.478 -3.274 1
1 898 . 8 1 1 A 88 88 ARG H H 88 8.917 9.032 -0.115 1
1 899 . 8 1 1 A 88 88 ARG HA H 88 3.961 4.061 -0.100 1
1 905 . 8 1 1 A 88 88 ARG C C 88 178.900 177.851 1.049 1
1 906 . 8 1 1 A 88 88 ARG CA C 88 59.548 58.822 0.726 1
1 907 . 8 1 1 A 88 88 ARG CB C 88 30.073 29.890 0.183 1
1 910 . 8 1 1 A 88 88 ARG N N 88 121.592 124.979 -3.387 1
1 911 . 8 1 1 A 89 89 ASN H H 89 8.845 8.033 0.812 1
1 912 . 8 1 1 A 89 89 ASN HA H 89 4.497 4.419 0.078 1
1 916 . 8 1 1 A 89 89 ASN C C 89 177.179 178.158 -0.979 1
1 917 . 8 1 1 A 89 89 ASN CA C 89 55.861 55.868 -0.007 1
1 918 . 8 1 1 A 89 89 ASN CB C 89 37.330 37.914 -0.584 1
1 919 . 8 1 1 A 89 89 ASN N N 89 116.555 117.854 -1.299 1
1 921 . 8 1 1 A 90 90 SER H H 90 7.513 7.774 -0.261 1
1 922 . 8 1 1 A 90 90 SER HA H 90 4.006 4.222 -0.216 1
1 925 . 8 1 1 A 90 90 SER C C 90 174.511 175.871 -1.360 1
1 926 . 8 1 1 A 90 90 SER CA C 90 61.395 62.271 -0.876 1
1 927 . 8 1 1 A 90 90 SER CB C 90 63.424 62.590 0.834 1
1 928 . 8 1 1 A 90 90 SER N N 90 116.007 117.978 -1.971 1
1 929 . 8 1 1 A 91 91 VAL H H 91 7.653 7.570 0.083 1
1 930 . 8 1 1 A 91 91 VAL HA H 91 3.201 3.732 -0.531 1
1 938 . 8 1 1 A 91 91 VAL C C 91 176.991 177.677 -0.686 1
1 939 . 8 1 1 A 91 91 VAL CA C 91 66.851 65.494 1.357 1
1 940 . 8 1 1 A 91 91 VAL CB C 91 31.599 31.577 0.022 1
1 943 . 8 1 1 A 91 91 VAL N N 91 119.934 119.213 0.721 1
1 944 . 8 1 1 A 92 92 ASP H H 92 7.192 8.006 -0.814 1
1 945 . 8 1 1 A 92 92 ASP HA H 92 4.321 4.317 0.004 1
1 947 . 8 1 1 A 92 92 ASP C C 92 178.585 177.964 0.621 1
1 948 . 8 1 1 A 92 92 ASP CA C 92 57.401 57.779 -0.378 1
1 949 . 8 1 1 A 92 92 ASP CB C 92 40.078 42.084 -2.006 1
1 950 . 8 1 1 A 92 92 ASP N N 92 117.084 121.523 -4.439 1
1 951 . 8 1 1 A 93 93 ALA H H 93 6.946 7.714 -0.768 1
1 952 . 8 1 1 A 93 93 ALA HA H 93 4.186 4.193 -0.007 1
1 956 . 8 1 1 A 93 93 ALA C C 93 179.272 179.726 -0.454 1
1 957 . 8 1 1 A 93 93 ALA CA C 93 54.445 54.764 -0.319 1
1 958 . 8 1 1 A 93 93 ALA CB C 93 18.164 18.269 -0.105 1
1 959 . 8 1 1 A 93 93 ALA N N 93 121.045 120.778 0.267 1
1 960 . 8 1 1 A 94 94 ALA H H 94 8.033 8.025 0.008 1
1 961 . 8 1 1 A 94 94 ALA HA H 94 4.545 4.243 0.302 1
1 965 . 8 1 1 A 94 94 ALA C C 94 180.529 179.644 0.885 1
1 966 . 8 1 1 A 94 94 ALA CA C 94 55.518 55.265 0.253 1
1 967 . 8 1 1 A 94 94 ALA CB C 94 19.455 18.714 0.741 1
1 968 . 8 1 1 A 94 94 ALA N N 94 122.191 121.003 1.188 1
1 969 . 8 1 1 A 95 95 VAL H H 95 8.565 8.620 -0.055 1
1 970 . 8 1 1 A 95 95 VAL HA H 95 3.741 3.944 -0.203 1
1 978 . 8 1 1 A 95 95 VAL C C 95 178.767 177.984 0.783 1
1 979 . 8 1 1 A 95 95 VAL CA C 95 65.820 64.827 0.993 1
1 980 . 8 1 1 A 95 95 VAL CB C 95 31.501 31.472 0.029 1
1 983 . 8 1 1 A 95 95 VAL N N 95 117.405 116.513 0.892 1
1 984 . 8 1 1 A 96 96 ALA H H 96 7.354 8.073 -0.719 1
1 985 . 8 1 1 A 96 96 ALA HA H 96 4.403 4.227 0.176 1
1 989 . 8 1 1 A 96 96 ALA C C 96 178.242 178.387 -0.145 1
1 990 . 8 1 1 A 96 96 ALA CA C 96 53.916 54.193 -0.277 1
1 991 . 8 1 1 A 96 96 ALA CB C 96 17.841 18.273 -0.432 1
1 992 . 8 1 1 A 96 96 ALA N N 96 122.769 123.821 -1.052 1
1 993 . 8 1 1 A 97 97 MET H H 97 7.980 8.013 -0.033 1
1 994 . 8 1 1 A 97 97 MET HA H 97 4.471 4.835 -0.364 1
1 1002 . 8 1 1 A 97 97 MET C C 97 175.959 176.511 -0.552 1
1 1003 . 8 1 1 A 97 97 MET CA C 97 55.150 54.772 0.378 1
1 1004 . 8 1 1 A 97 97 MET CB C 97 31.663 32.611 -0.948 1
1 1007 . 8 1 1 A 97 97 MET N N 97 115.573 116.151 -0.578 1
1 1008 . 8 1 1 A 98 98 ASP H H 98 7.852 8.449 -0.597 1
1 1009 . 8 1 1 A 98 98 ASP HA H 98 4.422 4.439 -0.017 1
1 1012 . 8 1 1 A 98 98 ASP C C 98 175.976 177.247 -1.271 1
1 1013 . 8 1 1 A 98 98 ASP CA C 98 57.476 56.788 0.688 1
1 1014 . 8 1 1 A 98 98 ASP CB C 98 42.008 40.500 1.508 1
1 1015 . 8 1 1 A 98 98 ASP N N 98 121.576 120.886 0.690 1
1 1016 . 8 1 1 A 99 99 GLU H H 99 8.643 7.702 0.941 1
1 1017 . 8 1 1 A 99 99 GLU HA H 99 4.154 4.522 -0.368 1
1 1022 . 8 1 1 A 99 99 GLU C C 99 176.369 175.751 0.618 1
1 1023 . 8 1 1 A 99 99 GLU CA C 99 58.403 55.775 2.628 1
1 1024 . 8 1 1 A 99 99 GLU CB C 99 26.214 30.057 -3.843 1
1 1026 . 8 1 1 A 99 99 GLU N N 99 119.455 118.249 1.206 1
1 1027 . 8 1 1 A 100 100 THR H H 100 7.416 7.831 -0.415 1
1 1028 . 8 1 1 A 100 100 THR HA H 100 4.498 4.370 0.128 1
1 1033 . 8 1 1 A 100 100 THR C C 100 172.876 173.844 -0.968 1
1 1034 . 8 1 1 A 100 100 THR CA C 100 61.065 61.519 -0.454 1
1 1035 . 8 1 1 A 100 100 THR CB C 100 72.140 70.055 2.085 1
1 1037 . 8 1 1 A 100 100 THR N N 100 107.670 115.903 -8.233 1
1 1038 . 8 1 1 A 101 101 VAL H H 101 8.252 8.467 -0.215 1
1 1039 . 8 1 1 A 101 101 VAL HA H 101 4.638 5.138 -0.500 1
1 1047 . 8 1 1 A 101 101 VAL C C 101 176.138 174.092 2.046 1
1 1048 . 8 1 1 A 101 101 VAL CA C 101 62.299 60.678 1.621 1
1 1049 . 8 1 1 A 101 101 VAL CB C 101 32.215 33.736 -1.521 1
1 1052 . 8 1 1 A 101 101 VAL N N 101 118.227 120.708 -2.481 1
1 1053 . 8 1 1 A 102 102 PHE H H 102 9.300 9.140 0.160 1
1 1054 . 8 1 1 A 102 102 PHE HA H 102 4.671 4.565 0.106 1
1 1061 . 8 1 1 A 102 102 PHE C C 102 174.216 174.932 -0.716 1
1 1062 . 8 1 1 A 102 102 PHE CA C 102 56.205 57.384 -1.179 1
1 1063 . 8 1 1 A 102 102 PHE CB C 102 41.707 40.094 1.613 1
1 1064 . 8 1 1 A 102 102 PHE N N 102 128.863 128.411 0.452 1
1 1065 . 8 1 1 A 103 103 ARG H H 103 9.167 9.116 0.051 1
1 1066 . 8 1 1 A 103 103 ARG HA H 103 3.389 3.787 -0.398 1
1 1075 . 8 1 1 A 103 103 ARG C C 103 176.014 176.180 -0.166 1
1 1076 . 8 1 1 A 103 103 ARG CA C 103 57.215 56.924 0.291 1
1 1077 . 8 1 1 A 103 103 ARG CB C 103 27.382 27.616 -0.234 1
1 1080 . 8 1 1 A 103 103 ARG N N 103 128.268 127.292 0.976 1
1 1082 . 8 1 1 A 104 104 GLY H H 104 8.005 8.364 -0.359 1
1 1083 . 8 1 1 A 104 104 GLY HA2 H 104 4.006 3.851 0.155 1
1 1084 . 8 1 1 A 104 104 GLY HA3 H 104 3.455 3.854 -0.399 1
1 1085 . 8 1 1 A 104 104 GLY C C 104 173.766 173.633 0.133 1
1 1086 . 8 1 1 A 104 104 GLY CA C 104 45.598 45.289 0.309 1
1 1087 . 8 1 1 A 104 104 GLY N N 104 101.324 105.097 -3.773 1
1 1088 . 8 1 1 A 105 105 ARG H H 105 7.681 7.774 -0.093 1
1 1089 . 8 1 1 A 105 105 ARG HA H 105 4.735 5.016 -0.281 1
1 1097 . 8 1 1 A 105 105 ARG C C 105 174.543 175.103 -0.560 1
1 1098 . 8 1 1 A 105 105 ARG CA C 105 54.071 54.507 -0.436 1
1 1099 . 8 1 1 A 105 105 ARG CB C 105 33.159 32.998 0.161 1
1 1102 . 8 1 1 A 105 105 ARG N N 105 119.837 116.624 3.213 1
1 1104 . 8 1 1 A 106 106 THR H H 106 8.604 8.711 -0.107 1
1 1105 . 8 1 1 A 106 106 THR HA H 106 4.593 4.477 0.116 1
1 1110 . 8 1 1 A 106 106 THR C C 106 175.643 174.229 1.414 1
1 1111 . 8 1 1 A 106 106 THR CA C 106 62.821 63.948 -1.127 1
1 1112 . 8 1 1 A 106 106 THR CB C 106 68.784 68.890 -0.106 1
1 1114 . 8 1 1 A 106 106 THR N N 106 118.251 118.324 -0.073 1
1 1115 . 8 1 1 A 107 107 ILE H H 107 8.756 8.746 0.010 1
1 1116 . 8 1 1 A 107 107 ILE HA H 107 4.884 5.061 -0.177 1
1 1126 . 8 1 1 A 107 107 ILE C C 107 174.877 174.880 -0.003 1
1 1127 . 8 1 1 A 107 107 ILE CA C 107 60.834 59.190 1.644 1
1 1128 . 8 1 1 A 107 107 ILE CB C 107 40.644 40.462 0.182 1
1 1132 . 8 1 1 A 107 107 ILE N N 107 123.422 123.577 -0.155 1
1 1133 . 8 1 1 A 108 108 LYS H H 108 7.412 8.143 -0.731 1
1 1134 . 8 1 1 A 108 108 LYS HA H 108 5.524 5.531 -0.007 1
1 1141 . 8 1 1 A 108 108 LYS C C 108 175.839 175.470 0.369 1
1 1142 . 8 1 1 A 108 108 LYS CA C 108 52.172 54.955 -2.783 1
1 1143 . 8 1 1 A 108 108 LYS CB C 108 33.947 35.235 -1.288 1
1 1147 . 8 1 1 A 108 108 LYS N N 108 121.402 121.597 -0.195 1
1 1148 . 8 1 1 A 109 109 VAL H H 109 9.467 8.941 0.526 1
1 1149 . 8 1 1 A 109 109 VAL HA H 109 5.410 6.009 -0.599 1
1 1157 . 8 1 1 A 109 109 VAL C C 109 174.514 175.060 -0.546 1
1 1158 . 8 1 1 A 109 109 VAL CA C 109 61.258 61.213 0.045 1
1 1159 . 8 1 1 A 109 109 VAL CB C 109 34.289 34.545 -0.256 1
1 1162 . 8 1 1 A 109 109 VAL N N 109 125.530 123.884 1.646 1
1 1163 . 8 1 1 A 110 110 LEU H H 110 9.081 8.857 0.224 1
1 1164 . 8 1 1 A 110 110 LEU HA H 110 5.109 5.095 0.014 1
1 1173 . 8 1 1 A 110 110 LEU CA C 110 51.660 51.218 0.442 1
1 1174 . 8 1 1 A 110 110 LEU CB C 110 46.037 44.801 1.236 1
1 1178 . 8 1 1 A 110 110 LEU N N 110 125.323 125.112 0.211 1
1 1179 . 8 1 1 A 111 111 PRO HA H 111 4.539 4.602 -0.063 1
1 1186 . 8 1 1 A 111 111 PRO C C 111 176.222 176.681 -0.459 1
1 1187 . 8 1 1 A 111 111 PRO CA C 111 63.390 62.956 0.434 1
1 1188 . 8 1 1 A 111 111 PRO CB C 111 31.697 31.959 -0.262 1
1 1191 . 8 1 1 A 112 112 LYS H H 112 8.121 8.659 -0.538 1
1 1192 . 8 1 1 A 112 112 LYS HA H 112 4.113 4.402 -0.289 1
1 1199 . 8 1 1 A 112 112 LYS C C 112 175.830 175.222 0.608 1
1 1200 . 8 1 1 A 112 112 LYS CA C 112 58.405 56.663 1.742 1
1 1201 . 8 1 1 A 112 112 LYS CB C 112 33.746 32.805 0.941 1
1 1204 . 8 1 1 A 112 112 LYS N N 112 124.317 122.681 1.636 1
1 1205 . 8 1 1 A 113 113 ARG H H 113 8.228 8.576 -0.348 1
1 1206 . 8 1 1 A 113 113 ARG HA H 113 4.451 4.784 -0.333 1
1 1211 . 8 1 1 A 113 113 ARG C C 113 175.758 175.372 0.386 1
1 1212 . 8 1 1 A 113 113 ARG CA C 113 55.468 54.528 0.940 1
1 1213 . 8 1 1 A 113 113 ARG CB C 113 31.550 32.908 -1.358 1
1 1215 . 8 1 1 A 113 113 ARG N N 113 121.228 125.477 -4.249 1
1 1216 . 8 1 1 A 114 114 THR H H 114 8.138 8.563 -0.425 1
1 1217 . 8 1 1 A 114 114 THR HA H 114 4.264 3.914 0.350 1
1 1222 . 8 1 1 A 114 114 THR C C 114 174.043 172.931 1.112 1
1 1223 . 8 1 1 A 114 114 THR CA C 114 62.229 62.696 -0.467 1
1 1224 . 8 1 1 A 114 114 THR CB C 114 69.682 66.772 2.910 1
1 1226 . 8 1 1 A 114 114 THR N N 114 116.384 111.166 5.218 1
1 1227 . 8 1 1 A 115 115 ASN H H 115 8.406 7.819 0.587 1
1 1228 . 8 1 1 A 115 115 ASN HA H 115 4.682 5.042 -0.360 1
1 1233 . 8 1 1 A 115 115 ASN C C 115 174.513 173.123 1.390 1
1 1234 . 8 1 1 A 115 115 ASN CA C 115 53.242 53.402 -0.160 1
1 1235 . 8 1 1 A 115 115 ASN CB C 115 38.888 40.130 -1.242 1
1 1236 . 8 1 1 A 115 115 ASN N N 115 120.871 118.144 2.727 1
1 1238 . 8 1 1 A 116 116 MET H H 116 8.138 8.883 -0.745 1
1 1239 . 8 1 1 A 116 116 MET CA C 116 53.400 51.806 1.594 1
1 1240 . 8 1 1 A 116 116 MET CB C 116 32.829 34.403 -1.574 1
1 1241 . 8 1 1 A 116 116 MET N N 116 121.611 127.041 -5.430 1
1 1242 . 8 1 1 A 117 117 PRO HA H 117 4.428 4.783 -0.355 1
1 1245 . 8 1 1 A 117 117 PRO C C 117 175.935 175.840 0.095 1
1 1246 . 8 1 1 A 117 117 PRO CA C 117 63.489 62.649 0.840 1
1 1247 . 8 1 1 A 117 117 PRO CB C 117 32.105 31.216 0.889 1
1 1248 . 8 1 1 A 118 118 GLY H H 118 8.411 8.833 -0.422 1
1 1249 . 8 1 1 A 118 118 GLY HA2 H 118 3.927 3.947 -0.020 1
1 1250 . 8 1 1 A 118 118 GLY HA3 H 118 4.389 3.948 0.441 1
1 1251 . 8 1 1 A 118 118 GLY C C 118 174.117 173.619 0.498 1
1 1252 . 8 1 1 A 118 118 GLY CA C 118 45.470 46.271 -0.801 1
1 1253 . 8 1 1 A 118 118 GLY N N 118 109.241 109.772 -0.531 1
1 1254 . 8 1 1 A 119 119 ILE H H 119 7.825 8.321 -0.496 1
1 1255 . 8 1 1 A 119 119 ILE HA H 119 4.234 4.792 -0.558 1
1 1265 . 8 1 1 A 119 119 ILE C C 119 176.261 174.436 1.825 1
1 1266 . 8 1 1 A 119 119 ILE CA C 119 61.029 59.729 1.300 1
1 1267 . 8 1 1 A 119 119 ILE CB C 119 38.878 38.747 0.131 1
1 1270 . 8 1 1 A 119 119 ILE N N 119 119.504 120.939 -1.435 1
1 1271 . 8 1 1 A 120 120 SER H H 120 8.397 8.701 -0.304 1
1 1272 . 8 1 1 A 120 120 SER HA H 120 4.534 4.957 -0.423 1
1 1274 . 8 1 1 A 120 120 SER C C 120 174.692 173.834 0.858 1
1 1275 . 8 1 1 A 120 120 SER CA C 120 58.150 58.558 -0.408 1
1 1276 . 8 1 1 A 120 120 SER CB C 120 63.997 64.041 -0.044 1
1 1277 . 8 1 1 A 120 120 SER N N 120 119.359 124.855 -5.496 1
1 1278 . 8 1 1 A 121 121 SER H H 121 8.371 8.905 -0.534 1
1 1279 . 8 1 1 A 121 121 SER HA H 121 4.360 5.129 -0.769 1
1 1280 . 8 1 1 A 121 121 SER C C 121 174.809 173.621 1.188 1
1 1281 . 8 1 1 A 121 121 SER CA C 121 58.656 57.790 0.866 1
1 1282 . 8 1 1 A 121 121 SER CB C 121 63.795 65.126 -1.331 1
1 1283 . 8 1 1 A 121 121 SER N N 121 118.036 120.008 -1.972 1
1 1284 . 8 1 1 A 122 122 THR H H 122 8.100 8.694 -0.594 1
1 1285 . 8 1 1 A 122 122 THR C C 122 174.254 174.989 -0.735 1
1 1286 . 8 1 1 A 122 122 THR CA C 122 61.829 63.080 -1.251 1
1 1287 . 8 1 1 A 122 122 THR CB C 122 69.537 70.719 -1.182 1
1 1288 . 8 1 1 A 122 122 THR N N 122 114.163 120.060 -5.897 1
1 1289 . 8 1 1 A 123 123 ASP H H 123 8.197 8.300 -0.103 1
1 1290 . 8 1 1 A 123 123 ASP HA H 123 4.641 4.535 0.106 1
1 1292 . 8 1 1 A 123 123 ASP C C 123 174.975 175.109 -0.134 1
1 1293 . 8 1 1 A 123 123 ASP CA C 123 54.542 55.995 -1.453 1
1 1294 . 8 1 1 A 123 123 ASP CB C 123 41.144 40.559 0.585 1
1 1295 . 8 1 1 A 123 123 ASP N N 123 122.772 120.708 2.064 1
1 8 . 9 1 1 A 2 2 ILE H H 2 8.420 8.423 -0.003 1
1 9 . 9 1 1 A 2 2 ILE HA H 2 4.219 4.397 -0.178 1
1 11 . 9 1 1 A 2 2 ILE C C 2 175.424 175.106 0.318 1
1 12 . 9 1 1 A 2 2 ILE CA C 2 61.022 60.349 0.673 1
1 13 . 9 1 1 A 2 2 ILE CB C 2 38.918 38.747 0.171 1
1 14 . 9 1 1 A 2 2 ILE N N 2 120.314 117.611 2.703 1
1 15 . 9 1 1 A 3 3 ALA H H 3 8.374 8.494 -0.120 1
1 16 . 9 1 1 A 3 3 ALA CA C 3 50.509 49.032 1.477 1
1 17 . 9 1 1 A 3 3 ALA CB C 3 18.608 21.758 -3.150 1
1 18 . 9 1 1 A 3 3 ALA N N 3 129.874 125.136 4.738 1
1 19 . 9 1 1 A 4 4 PRO HA H 4 4.446 4.839 -0.393 1
1 22 . 9 1 1 A 4 4 PRO C C 4 176.949 175.865 1.084 1
1 23 . 9 1 1 A 4 4 PRO CA C 4 63.456 62.423 1.033 1
1 24 . 9 1 1 A 4 4 PRO CB C 4 32.203 31.736 0.467 1
1 25 . 9 1 1 A 5 5 CYS H H 5 8.347 8.787 -0.440 1
1 26 . 9 1 1 A 5 5 CYS HA H 5 4.492 5.095 -0.603 1
1 28 . 9 1 1 A 5 5 CYS C C 5 174.805 173.726 1.079 1
1 29 . 9 1 1 A 5 5 CYS CA C 5 58.495 57.644 0.851 1
1 30 . 9 1 1 A 5 5 CYS CB C 5 27.957 29.009 -1.052 1
1 31 . 9 1 1 A 5 5 CYS N N 5 118.477 123.941 -5.464 1
1 32 . 9 1 1 A 6 6 MET H H 6 8.421 8.736 -0.315 1
1 33 . 9 1 1 A 6 6 MET HA H 6 4.534 4.746 -0.212 1
1 35 . 9 1 1 A 6 6 MET C C 6 176.132 174.648 1.484 1
1 36 . 9 1 1 A 6 6 MET CA C 6 55.629 53.648 1.981 1
1 37 . 9 1 1 A 6 6 MET CB C 6 33.048 31.012 2.036 1
1 38 . 9 1 1 A 6 6 MET N N 6 122.952 125.089 -2.137 1
1 39 . 9 1 1 A 7 7 GLN H H 7 8.313 8.549 -0.236 1
1 40 . 9 1 1 A 7 7 GLN HA H 7 4.435 4.778 -0.343 1
1 42 . 9 1 1 A 7 7 GLN C C 7 176.128 174.719 1.409 1
1 43 . 9 1 1 A 7 7 GLN CA C 7 56.109 54.785 1.324 1
1 44 . 9 1 1 A 7 7 GLN CB C 7 29.591 29.793 -0.202 1
1 45 . 9 1 1 A 7 7 GLN N N 7 121.379 125.603 -4.224 1
1 46 . 9 1 1 A 8 8 THR H H 8 8.195 8.615 -0.420 1
1 47 . 9 1 1 A 8 8 THR HA H 8 4.406 4.817 -0.411 1
1 49 . 9 1 1 A 8 8 THR C C 8 174.739 172.098 2.641 1
1 50 . 9 1 1 A 8 8 THR CA C 8 61.856 60.511 1.345 1
1 51 . 9 1 1 A 8 8 THR CB C 8 69.854 69.937 -0.083 1
1 52 . 9 1 1 A 8 8 THR N N 8 115.096 119.693 -4.597 1
1 53 . 9 1 1 A 9 9 THR H H 9 8.081 8.729 -0.648 1
1 54 . 9 1 1 A 9 9 THR HA H 9 4.335 4.846 -0.511 1
1 56 . 9 1 1 A 9 9 THR C C 9 174.407 172.394 2.013 1
1 57 . 9 1 1 A 9 9 THR CA C 9 61.896 60.436 1.460 1
1 58 . 9 1 1 A 9 9 THR CB C 9 69.811 69.933 -0.122 1
1 59 . 9 1 1 A 9 9 THR N N 9 115.837 118.595 -2.758 1
1 60 . 9 1 1 A 10 10 HIS H H 10 8.477 8.800 -0.323 1
1 61 . 9 1 1 A 10 10 HIS HA H 10 4.788 5.730 -0.942 1
1 64 . 9 1 1 A 10 10 HIS C C 10 174.571 173.319 1.252 1
1 65 . 9 1 1 A 10 10 HIS CA C 10 55.477 53.503 1.974 1
1 66 . 9 1 1 A 10 10 HIS CB C 10 29.291 33.427 -4.136 1
1 67 . 9 1 1 A 10 10 HIS N N 10 120.606 118.514 2.092 1
1 68 . 9 1 1 A 11 11 SER H H 11 8.306 8.914 -0.608 1
1 69 . 9 1 1 A 11 11 SER HA H 11 4.448 4.346 0.102 1
1 71 . 9 1 1 A 11 11 SER C C 11 174.512 174.164 0.348 1
1 72 . 9 1 1 A 11 11 SER CA C 11 58.557 58.681 -0.124 1
1 73 . 9 1 1 A 11 11 SER CB C 11 63.943 62.398 1.545 1
1 74 . 9 1 1 A 11 11 SER N N 11 117.043 117.264 -0.221 1
1 75 . 9 1 1 A 12 12 LYS H H 12 8.402 7.779 0.623 1
1 76 . 9 1 1 A 12 12 LYS HA H 12 4.359 4.437 -0.078 1
1 79 . 9 1 1 A 12 12 LYS C C 12 176.592 175.575 1.017 1
1 80 . 9 1 1 A 12 12 LYS CA C 12 56.634 55.972 0.662 1
1 81 . 9 1 1 A 12 12 LYS CB C 12 33.127 31.669 1.458 1
1 82 . 9 1 1 A 12 12 LYS N N 12 123.023 124.145 -1.122 1
1 83 . 9 1 1 A 13 13 MET H H 13 8.343 7.932 0.411 1
1 84 . 9 1 1 A 13 13 MET HA H 13 4.530 4.803 -0.273 1
1 88 . 9 1 1 A 13 13 MET C C 13 176.373 174.683 1.690 1
1 89 . 9 1 1 A 13 13 MET CA C 13 55.680 54.583 1.097 1
1 90 . 9 1 1 A 13 13 MET CB C 13 32.925 35.974 -3.049 1
1 91 . 9 1 1 A 13 13 MET N N 13 121.294 123.016 -1.722 1
1 92 . 9 1 1 A 14 14 THR H H 14 8.068 8.699 -0.631 1
1 93 . 9 1 1 A 14 14 THR HA H 14 4.333 4.187 0.146 1
1 97 . 9 1 1 A 14 14 THR C C 14 174.246 174.776 -0.530 1
1 98 . 9 1 1 A 14 14 THR CA C 14 61.770 64.262 -2.492 1
1 99 . 9 1 1 A 14 14 THR CB C 14 69.894 68.574 1.320 1
1 100 . 9 1 1 A 14 14 THR N N 14 115.254 119.600 -4.346 1
1 101 . 9 1 1 A 15 15 ALA H H 15 8.289 8.771 -0.482 1
1 102 . 9 1 1 A 15 15 ALA HA H 15 4.344 4.090 0.254 1
1 106 . 9 1 1 A 15 15 ALA C C 15 178.080 177.703 0.377 1
1 107 . 9 1 1 A 15 15 ALA CA C 15 52.779 53.438 -0.659 1
1 108 . 9 1 1 A 15 15 ALA CB C 15 19.286 19.552 -0.266 1
1 109 . 9 1 1 A 15 15 ALA N N 15 126.372 130.763 -4.391 1
1 110 . 9 1 1 A 16 16 GLY H H 16 8.291 7.596 0.695 1
1 111 . 9 1 1 A 16 16 GLY HA2 H 16 3.913 4.077 -0.164 1
1 112 . 9 1 1 A 16 16 GLY C C 16 173.788 172.443 1.345 1
1 113 . 9 1 1 A 16 16 GLY CA C 16 45.298 43.960 1.338 1
1 114 . 9 1 1 A 16 16 GLY N N 16 108.095 103.716 4.379 1
1 115 . 9 1 1 A 17 17 ALA H H 17 8.000 8.126 -0.126 1
1 116 . 9 1 1 A 17 17 ALA HA H 17 4.292 5.165 -0.873 1
1 120 . 9 1 1 A 17 17 ALA C C 17 177.366 174.966 2.400 1
1 121 . 9 1 1 A 17 17 ALA CA C 17 52.518 50.187 2.331 1
1 122 . 9 1 1 A 17 17 ALA CB C 17 19.577 22.473 -2.896 1
1 123 . 9 1 1 A 17 17 ALA N N 17 123.370 122.219 1.151 1
1 124 . 9 1 1 A 18 18 TYR H H 18 8.135 8.923 -0.788 1
1 125 . 9 1 1 A 18 18 TYR HA H 18 4.640 5.117 -0.477 1
1 129 . 9 1 1 A 18 18 TYR C C 18 176.031 174.314 1.717 1
1 130 . 9 1 1 A 18 18 TYR CA C 18 57.973 56.454 1.519 1
1 131 . 9 1 1 A 18 18 TYR CB C 18 38.661 41.107 -2.446 1
1 132 . 9 1 1 A 18 18 TYR N N 18 119.212 121.409 -2.197 1
1 133 . 9 1 1 A 19 19 THR H H 19 7.912 8.411 -0.499 1
1 134 . 9 1 1 A 19 19 THR HA H 19 4.267 4.295 -0.028 1
1 139 . 9 1 1 A 19 19 THR C C 19 173.995 173.930 0.065 1
1 140 . 9 1 1 A 19 19 THR CA C 19 61.848 62.941 -1.093 1
1 141 . 9 1 1 A 19 19 THR CB C 19 69.756 68.261 1.495 1
1 142 . 9 1 1 A 19 19 THR N N 19 115.764 121.583 -5.819 1
1 143 . 9 1 1 A 20 20 GLU H H 20 8.077 8.198 -0.121 1
1 144 . 9 1 1 A 20 20 GLU HA H 20 4.301 4.513 -0.212 1
1 148 . 9 1 1 A 20 20 GLU C C 20 176.128 176.616 -0.488 1
1 149 . 9 1 1 A 20 20 GLU CA C 20 56.312 56.766 -0.454 1
1 150 . 9 1 1 A 20 20 GLU CB C 20 30.423 30.701 -0.278 1
1 152 . 9 1 1 A 20 20 GLU N N 20 122.553 126.740 -4.187 1
1 153 . 9 1 1 A 21 21 GLY H H 21 7.966 8.375 -0.409 1
1 154 . 9 1 1 A 21 21 GLY HA2 H 21 3.903 4.083 -0.180 1
1 155 . 9 1 1 A 21 21 GLY CA C 21 44.257 45.190 -0.933 1
1 156 . 9 1 1 A 21 21 GLY N N 21 109.544 110.625 -1.081 1
1 157 . 9 1 1 A 22 22 PRO HA H 22 4.232 4.491 -0.259 1
1 164 . 9 1 1 A 22 22 PRO CA C 22 61.109 64.234 -3.125 1
1 165 . 9 1 1 A 22 22 PRO CB C 22 30.711 31.873 -1.162 1
1 168 . 9 1 1 A 23 23 PRO HA H 23 4.363 4.403 -0.040 1
1 174 . 9 1 1 A 23 23 PRO C C 23 176.567 177.278 -0.711 1
1 175 . 9 1 1 A 23 23 PRO CA C 23 62.733 63.141 -0.408 1
1 176 . 9 1 1 A 23 23 PRO CB C 23 32.048 31.807 0.241 1
1 179 . 9 1 1 A 24 24 GLN H H 24 8.286 8.344 -0.058 1
1 180 . 9 1 1 A 24 24 GLN HA H 24 4.479 4.403 0.076 1
1 186 . 9 1 1 A 24 24 GLN CA C 24 53.763 54.632 -0.869 1
1 187 . 9 1 1 A 24 24 GLN CB C 24 28.800 28.078 0.722 1
1 189 . 9 1 1 A 24 24 GLN N N 24 121.215 121.497 -0.282 1
1 191 . 9 1 1 A 25 25 PRO HA H 25 4.389 4.406 -0.017 1
1 198 . 9 1 1 A 25 25 PRO C C 25 176.707 176.486 0.221 1
1 199 . 9 1 1 A 25 25 PRO CA C 25 62.867 63.361 -0.494 1
1 200 . 9 1 1 A 25 25 PRO CB C 25 32.174 31.911 0.263 1
1 203 . 9 1 1 A 26 26 LEU H H 26 8.244 8.319 -0.075 1
1 204 . 9 1 1 A 26 26 LEU HA H 26 4.405 4.783 -0.378 1
1 214 . 9 1 1 A 26 26 LEU C C 26 177.517 176.362 1.155 1
1 215 . 9 1 1 A 26 26 LEU CA C 26 54.643 52.579 2.064 1
1 216 . 9 1 1 A 26 26 LEU CB C 26 43.618 44.983 -1.365 1
1 220 . 9 1 1 A 26 26 LEU N N 26 122.745 118.448 4.297 1
1 221 . 9 1 1 A 27 27 SER H H 27 8.758 8.598 0.160 1
1 222 . 9 1 1 A 27 27 SER HA H 27 4.474 4.518 -0.044 1
1 225 . 9 1 1 A 27 27 SER C C 27 174.789 175.691 -0.902 1
1 226 . 9 1 1 A 27 27 SER CA C 27 57.461 58.658 -1.197 1
1 227 . 9 1 1 A 27 27 SER CB C 27 65.280 63.707 1.573 1
1 228 . 9 1 1 A 27 27 SER N N 27 117.967 116.001 1.966 1
1 229 . 9 1 1 A 28 28 ALA H H 28 8.841 9.010 -0.169 1
1 230 . 9 1 1 A 28 28 ALA HA H 28 4.037 3.931 0.106 1
1 234 . 9 1 1 A 28 28 ALA CA C 28 55.346 55.360 -0.014 1
1 235 . 9 1 1 A 28 28 ALA CB C 28 18.347 18.381 -0.034 1
1 236 . 9 1 1 A 28 28 ALA N N 28 124.144 130.157 -6.013 1
1 237 . 9 1 1 A 29 29 GLU H H 29 8.565 7.824 0.741 1
1 238 . 9 1 1 A 29 29 GLU HA H 29 4.026 4.034 -0.008 1
1 242 . 9 1 1 A 29 29 GLU C C 29 178.877 179.523 -0.646 1
1 243 . 9 1 1 A 29 29 GLU CA C 29 59.430 59.475 -0.045 1
1 244 . 9 1 1 A 29 29 GLU CB C 29 29.244 29.199 0.045 1
1 246 . 9 1 1 A 29 29 GLU N N 29 117.527 118.146 -0.619 1
1 247 . 9 1 1 A 30 30 GLU H H 30 7.823 8.364 -0.541 1
1 248 . 9 1 1 A 30 30 GLU HA H 30 4.054 4.097 -0.043 1
1 253 . 9 1 1 A 30 30 GLU C C 30 179.191 179.043 0.148 1
1 254 . 9 1 1 A 30 30 GLU CA C 30 59.037 59.028 0.009 1
1 255 . 9 1 1 A 30 30 GLU CB C 30 30.102 29.454 0.648 1
1 257 . 9 1 1 A 30 30 GLU N N 30 120.773 121.048 -0.275 1
1 258 . 9 1 1 A 31 31 LYS H H 31 8.246 7.437 0.809 1
1 259 . 9 1 1 A 31 31 LYS HA H 31 3.844 4.125 -0.281 1
1 266 . 9 1 1 A 31 31 LYS C C 31 177.968 179.766 -1.798 1
1 267 . 9 1 1 A 31 31 LYS CA C 31 59.889 59.571 0.318 1
1 268 . 9 1 1 A 31 31 LYS CB C 31 32.350 32.279 0.071 1
1 272 . 9 1 1 A 31 31 LYS N N 31 119.315 120.278 -0.963 1
1 273 . 9 1 1 A 32 32 LYS H H 32 7.698 7.662 0.036 1
1 274 . 9 1 1 A 32 32 LYS HA H 32 4.043 4.017 0.026 1
1 282 . 9 1 1 A 32 32 LYS C C 32 178.848 179.765 -0.917 1
1 283 . 9 1 1 A 32 32 LYS CA C 32 59.479 59.950 -0.471 1
1 284 . 9 1 1 A 32 32 LYS CB C 32 32.459 31.963 0.496 1
1 288 . 9 1 1 A 32 32 LYS N N 32 118.195 119.668 -1.473 1
1 289 . 9 1 1 A 33 33 GLU H H 33 7.512 7.615 -0.103 1
1 290 . 9 1 1 A 33 33 GLU HA H 33 4.031 4.129 -0.098 1
1 295 . 9 1 1 A 33 33 GLU C C 33 178.989 179.876 -0.887 1
1 296 . 9 1 1 A 33 33 GLU CA C 33 59.157 59.033 0.124 1
1 297 . 9 1 1 A 33 33 GLU CB C 33 29.220 29.689 -0.469 1
1 299 . 9 1 1 A 33 33 GLU N N 33 118.459 120.068 -1.609 1
1 300 . 9 1 1 A 34 34 ILE H H 34 7.912 7.922 -0.010 1
1 301 . 9 1 1 A 34 34 ILE HA H 34 3.503 3.841 -0.338 1
1 311 . 9 1 1 A 34 34 ILE C C 34 180.639 177.904 2.735 1
1 312 . 9 1 1 A 34 34 ILE CA C 34 65.305 64.260 1.045 1
1 313 . 9 1 1 A 34 34 ILE CB C 34 38.540 37.540 1.000 1
1 317 . 9 1 1 A 34 34 ILE N N 34 120.176 117.870 2.306 1
1 318 . 9 1 1 A 35 35 ASP H H 35 8.457 7.824 0.633 1
1 319 . 9 1 1 A 35 35 ASP HA H 35 4.145 4.392 -0.247 1
1 322 . 9 1 1 A 35 35 ASP C C 35 178.790 178.649 0.141 1
1 323 . 9 1 1 A 35 35 ASP CA C 35 58.322 57.371 0.951 1
1 324 . 9 1 1 A 35 35 ASP CB C 35 39.538 40.162 -0.624 1
1 325 . 9 1 1 A 35 35 ASP N N 35 123.589 121.976 1.613 1
1 326 . 9 1 1 A 36 36 LYS H H 36 7.573 7.626 -0.053 1
1 327 . 9 1 1 A 36 36 LYS HA H 36 4.187 4.262 -0.075 1
1 334 . 9 1 1 A 36 36 LYS C C 36 176.400 177.973 -1.573 1
1 335 . 9 1 1 A 36 36 LYS CA C 36 58.656 58.724 -0.068 1
1 336 . 9 1 1 A 36 36 LYS CB C 36 32.991 32.333 0.658 1
1 340 . 9 1 1 A 36 36 LYS N N 36 117.506 119.325 -1.819 1
1 341 . 9 1 1 A 37 37 ARG H H 37 7.397 7.154 0.243 1
1 342 . 9 1 1 A 37 37 ARG HA H 37 4.658 4.555 0.103 1
1 348 . 9 1 1 A 37 37 ARG C C 37 174.361 175.257 -0.896 1
1 349 . 9 1 1 A 37 37 ARG CA C 37 55.793 55.422 0.371 1
1 350 . 9 1 1 A 37 37 ARG CB C 37 31.260 30.692 0.568 1
1 353 . 9 1 1 A 37 37 ARG N N 37 115.182 117.421 -2.239 1
1 354 . 9 1 1 A 38 38 SER H H 38 7.416 7.522 -0.106 1
1 355 . 9 1 1 A 38 38 SER HA H 38 6.346 5.220 1.126 1
1 358 . 9 1 1 A 38 38 SER C C 38 173.807 173.192 0.615 1
1 359 . 9 1 1 A 38 38 SER CA C 38 57.574 56.177 1.397 1
1 360 . 9 1 1 A 38 38 SER CB C 38 67.003 66.321 0.682 1
1 361 . 9 1 1 A 38 38 SER N N 38 112.872 116.350 -3.478 1
1 362 . 9 1 1 A 39 39 VAL H H 39 8.812 8.956 -0.144 1
1 363 . 9 1 1 A 39 39 VAL HA H 39 5.117 5.171 -0.054 1
1 371 . 9 1 1 A 39 39 VAL C C 39 174.519 173.199 1.320 1
1 372 . 9 1 1 A 39 39 VAL CA C 39 59.085 58.972 0.113 1
1 373 . 9 1 1 A 39 39 VAL CB C 39 34.476 35.721 -1.245 1
1 376 . 9 1 1 A 39 39 VAL N N 39 111.961 118.378 -6.417 1
1 377 . 9 1 1 A 40 40 TYR H H 40 9.366 9.317 0.049 1
1 378 . 9 1 1 A 40 40 TYR HA H 40 5.108 4.722 0.386 1
1 385 . 9 1 1 A 40 40 TYR C C 40 172.976 173.699 -0.723 1
1 386 . 9 1 1 A 40 40 TYR CA C 40 56.633 55.464 1.169 1
1 387 . 9 1 1 A 40 40 TYR CB C 40 41.058 41.134 -0.076 1
1 390 . 9 1 1 A 40 40 TYR N N 40 123.743 124.554 -0.811 1
1 391 . 9 1 1 A 41 41 VAL H H 41 8.734 9.060 -0.326 1
1 392 . 9 1 1 A 41 41 VAL HA H 41 4.876 4.905 -0.029 1
1 400 . 9 1 1 A 41 41 VAL C C 41 174.651 174.713 -0.062 1
1 401 . 9 1 1 A 41 41 VAL CA C 41 59.798 60.490 -0.692 1
1 402 . 9 1 1 A 41 41 VAL CB C 41 33.329 33.170 0.159 1
1 405 . 9 1 1 A 41 41 VAL N N 41 127.436 126.895 0.541 1
1 406 . 9 1 1 A 42 42 GLY H H 42 9.669 8.425 1.244 1
1 407 . 9 1 1 A 42 42 GLY HA2 H 42 3.612 4.049 -0.437 1
1 408 . 9 1 1 A 42 42 GLY HA3 H 42 4.392 4.054 0.338 1
1 409 . 9 1 1 A 42 42 GLY C C 42 173.639 174.205 -0.566 1
1 410 . 9 1 1 A 42 42 GLY CA C 42 44.169 43.374 0.795 1
1 411 . 9 1 1 A 42 42 GLY N N 42 113.263 114.767 -1.504 1
1 412 . 9 1 1 A 43 43 ASN H H 43 8.412 9.118 -0.706 1
1 413 . 9 1 1 A 43 43 ASN HA H 43 4.510 4.431 0.079 1
1 418 . 9 1 1 A 43 43 ASN C C 43 174.364 175.267 -0.903 1
1 419 . 9 1 1 A 43 43 ASN CA C 43 53.557 54.313 -0.756 1
1 420 . 9 1 1 A 43 43 ASN CB C 43 37.283 38.199 -0.916 1
1 421 . 9 1 1 A 43 43 ASN N N 43 115.451 118.673 -3.222 1
1 423 . 9 1 1 A 44 44 VAL H H 44 7.083 7.502 -0.419 1
1 424 . 9 1 1 A 44 44 VAL HA H 44 3.975 4.132 -0.157 1
1 432 . 9 1 1 A 44 44 VAL C C 44 175.885 174.526 1.359 1
1 433 . 9 1 1 A 44 44 VAL CA C 44 61.614 62.492 -0.878 1
1 434 . 9 1 1 A 44 44 VAL CB C 44 32.914 33.049 -0.135 1
1 437 . 9 1 1 A 44 44 VAL N N 44 115.399 119.838 -4.439 1
1 438 . 9 1 1 A 45 45 ASP H H 45 8.305 8.607 -0.302 1
1 439 . 9 1 1 A 45 45 ASP HA H 45 4.467 4.876 -0.409 1
1 442 . 9 1 1 A 45 45 ASP C C 45 177.205 176.568 0.637 1
1 443 . 9 1 1 A 45 45 ASP CA C 45 54.613 54.312 0.301 1
1 444 . 9 1 1 A 45 45 ASP CB C 45 43.657 42.488 1.169 1
1 445 . 9 1 1 A 45 45 ASP N N 45 124.440 126.967 -2.527 1
1 446 . 9 1 1 A 46 46 TYR H H 46 8.715 9.182 -0.467 1
1 447 . 9 1 1 A 46 46 TYR HA H 46 4.483 4.173 0.310 1
1 454 . 9 1 1 A 46 46 TYR C C 46 175.453 177.561 -2.108 1
1 455 . 9 1 1 A 46 46 TYR CA C 46 59.464 60.961 -1.497 1
1 456 . 9 1 1 A 46 46 TYR CB C 46 38.753 38.958 -0.205 1
1 458 . 9 1 1 A 46 46 TYR N N 46 125.588 127.704 -2.116 1
1 459 . 9 1 1 A 47 47 GLY H H 47 8.387 8.942 -0.555 1
1 460 . 9 1 1 A 47 47 GLY HA2 H 47 3.561 4.010 -0.449 1
1 461 . 9 1 1 A 47 47 GLY HA3 H 47 4.348 4.038 0.310 1
1 462 . 9 1 1 A 47 47 GLY C C 47 173.578 174.450 -0.872 1
1 463 . 9 1 1 A 47 47 GLY CA C 47 44.965 45.781 -0.816 1
1 464 . 9 1 1 A 47 47 GLY N N 47 106.974 106.838 0.136 1
1 465 . 9 1 1 A 48 48 SER H H 48 7.417 7.901 -0.484 1
1 466 . 9 1 1 A 48 48 SER HA H 48 4.428 4.640 -0.212 1
1 468 . 9 1 1 A 48 48 SER C C 48 173.220 174.144 -0.924 1
1 469 . 9 1 1 A 48 48 SER CA C 48 59.892 59.252 0.640 1
1 470 . 9 1 1 A 48 48 SER CB C 48 64.519 64.156 0.363 1
1 471 . 9 1 1 A 48 48 SER N N 48 115.423 116.638 -1.215 1
1 472 . 9 1 1 A 49 49 THR H H 49 8.474 8.747 -0.273 1
1 473 . 9 1 1 A 49 49 THR HA H 49 4.660 4.769 -0.109 1
1 478 . 9 1 1 A 49 49 THR C C 49 175.940 175.885 0.055 1
1 479 . 9 1 1 A 49 49 THR CA C 49 58.831 59.845 -1.014 1
1 480 . 9 1 1 A 49 49 THR CB C 49 72.585 72.401 0.184 1
1 482 . 9 1 1 A 49 49 THR N N 49 112.103 116.716 -4.613 1
1 483 . 9 1 1 A 50 50 ALA H H 50 9.723 8.996 0.727 1
1 484 . 9 1 1 A 50 50 ALA HA H 50 3.923 3.983 -0.060 1
1 488 . 9 1 1 A 50 50 ALA C C 50 179.045 179.600 -0.555 1
1 489 . 9 1 1 A 50 50 ALA CA C 50 55.643 55.420 0.223 1
1 490 . 9 1 1 A 50 50 ALA CB C 50 18.259 17.964 0.295 1
1 491 . 9 1 1 A 50 50 ALA N N 50 123.988 123.866 0.122 1
1 492 . 9 1 1 A 51 51 GLN H H 51 7.730 8.074 -0.344 1
1 493 . 9 1 1 A 51 51 GLN HA H 51 3.940 3.978 -0.038 1
1 500 . 9 1 1 A 51 51 GLN C C 51 178.215 177.745 0.470 1
1 501 . 9 1 1 A 51 51 GLN CA C 51 59.096 59.159 -0.063 1
1 502 . 9 1 1 A 51 51 GLN CB C 51 28.508 28.185 0.323 1
1 504 . 9 1 1 A 51 51 GLN N N 51 116.375 117.975 -1.600 1
1 505 . 9 1 1 A 52 52 ASP H H 52 8.273 7.623 0.650 1
1 506 . 9 1 1 A 52 52 ASP HA H 52 4.587 4.550 0.037 1
1 507 . 9 1 1 A 52 52 ASP C C 52 179.837 179.113 0.724 1
1 508 . 9 1 1 A 52 52 ASP CA C 52 57.556 57.452 0.104 1
1 509 . 9 1 1 A 52 52 ASP CB C 52 41.057 40.465 0.592 1
1 510 . 9 1 1 A 52 52 ASP N N 52 120.755 118.955 1.800 1
1 511 . 9 1 1 A 53 53 LEU H H 53 7.855 8.434 -0.579 1
1 512 . 9 1 1 A 53 53 LEU HA H 53 3.933 3.974 -0.041 1
1 522 . 9 1 1 A 53 53 LEU C C 53 178.463 179.105 -0.642 1
1 523 . 9 1 1 A 53 53 LEU CA C 53 58.367 58.089 0.278 1
1 524 . 9 1 1 A 53 53 LEU CB C 53 42.646 40.995 1.651 1
1 528 . 9 1 1 A 53 53 LEU N N 53 122.035 121.217 0.818 1
1 529 . 9 1 1 A 54 54 GLU H H 54 8.804 8.533 0.271 1
1 530 . 9 1 1 A 54 54 GLU HA H 54 3.745 4.083 -0.338 1
1 534 . 9 1 1 A 54 54 GLU C C 54 178.467 178.824 -0.357 1
1 535 . 9 1 1 A 54 54 GLU CA C 54 59.833 59.176 0.657 1
1 536 . 9 1 1 A 54 54 GLU CB C 54 29.238 29.773 -0.535 1
1 538 . 9 1 1 A 54 54 GLU N N 54 120.472 118.174 2.298 1
1 539 . 9 1 1 A 55 55 ALA H H 55 8.098 7.762 0.336 1
1 540 . 9 1 1 A 55 55 ALA HA H 55 4.249 4.182 0.067 1
1 544 . 9 1 1 A 55 55 ALA C C 55 180.711 179.904 0.807 1
1 545 . 9 1 1 A 55 55 ALA CA C 55 55.077 55.108 -0.031 1
1 546 . 9 1 1 A 55 55 ALA CB C 55 18.164 18.861 -0.697 1
1 547 . 9 1 1 A 55 55 ALA N N 55 119.302 122.580 -3.278 1
1 548 . 9 1 1 A 56 56 HIS H H 56 7.927 7.729 0.198 1
1 549 . 9 1 1 A 56 56 HIS HA H 56 4.281 4.246 0.035 1
1 553 . 9 1 1 A 56 56 HIS C C 56 176.342 176.905 -0.563 1
1 554 . 9 1 1 A 56 56 HIS CA C 56 59.362 59.195 0.167 1
1 555 . 9 1 1 A 56 56 HIS CB C 56 31.200 29.640 1.560 1
1 556 . 9 1 1 A 56 56 HIS N N 56 117.016 118.079 -1.063 1
1 557 . 9 1 1 A 57 57 PHE H H 57 7.811 8.172 -0.361 1
1 558 . 9 1 1 A 57 57 PHE HA H 57 4.554 4.347 0.207 1
1 565 . 9 1 1 A 57 57 PHE C C 57 177.301 177.981 -0.680 1
1 566 . 9 1 1 A 57 57 PHE CA C 57 59.480 61.726 -2.246 1
1 567 . 9 1 1 A 57 57 PHE CB C 57 40.432 38.790 1.642 1
1 571 . 9 1 1 A 57 57 PHE N N 57 111.423 115.960 -4.537 1
1 572 . 9 1 1 A 58 58 SER H H 58 8.126 8.660 -0.534 1
1 573 . 9 1 1 A 58 58 SER HA H 58 4.468 4.315 0.153 1
1 575 . 9 1 1 A 58 58 SER C C 58 176.676 177.107 -0.431 1
1 576 . 9 1 1 A 58 58 SER CA C 58 62.159 61.263 0.896 1
1 577 . 9 1 1 A 58 58 SER N N 58 118.439 116.317 2.122 1
1 578 . 9 1 1 A 59 59 SER H H 59 8.422 7.618 0.804 1
1 579 . 9 1 1 A 59 59 SER HA H 59 4.291 4.321 -0.030 1
1 581 . 9 1 1 A 59 59 SER C C 59 175.955 174.971 0.984 1
1 582 . 9 1 1 A 59 59 SER CA C 59 60.277 61.423 -1.146 1
1 583 . 9 1 1 A 59 59 SER CB C 59 62.444 63.022 -0.578 1
1 584 . 9 1 1 A 59 59 SER N N 59 116.618 116.654 -0.036 1
1 585 . 9 1 1 A 60 60 CYS H H 60 8.226 7.995 0.231 1
1 586 . 9 1 1 A 60 60 CYS HA H 60 4.067 4.505 -0.438 1
1 589 . 9 1 1 A 60 60 CYS C C 60 174.682 174.422 0.260 1
1 590 . 9 1 1 A 60 60 CYS CA C 60 60.683 59.552 1.131 1
1 591 . 9 1 1 A 60 60 CYS CB C 60 28.894 28.324 0.570 1
1 592 . 9 1 1 A 60 60 CYS N N 60 118.900 117.535 1.365 1
1 593 . 9 1 1 A 61 61 GLY H H 61 7.414 7.394 0.020 1
1 594 . 9 1 1 A 61 61 GLY HA2 H 61 3.887 4.120 -0.233 1
1 595 . 9 1 1 A 61 61 GLY HA3 H 61 4.489 4.142 0.347 1
1 596 . 9 1 1 A 61 61 GLY C C 61 171.619 172.253 -0.634 1
1 597 . 9 1 1 A 61 61 GLY CA C 61 44.000 44.929 -0.929 1
1 598 . 9 1 1 A 61 61 GLY N N 61 106.320 109.161 -2.841 1
1 599 . 9 1 1 A 62 62 SER H H 62 8.182 8.332 -0.150 1
1 600 . 9 1 1 A 62 62 SER HA H 62 4.420 5.477 -1.057 1
1 603 . 9 1 1 A 62 62 SER C C 62 175.295 173.443 1.852 1
1 604 . 9 1 1 A 62 62 SER CA C 62 59.839 56.918 2.921 1
1 605 . 9 1 1 A 62 62 SER CB C 62 63.617 65.074 -1.457 1
1 606 . 9 1 1 A 62 62 SER N N 62 112.485 116.181 -3.696 1
1 607 . 9 1 1 A 63 63 ILE H H 63 8.857 9.102 -0.245 1
1 608 . 9 1 1 A 63 63 ILE HA H 63 4.007 4.057 -0.050 1
1 618 . 9 1 1 A 63 63 ILE C C 63 175.045 175.822 -0.777 1
1 619 . 9 1 1 A 63 63 ILE CA C 63 61.979 61.572 0.407 1
1 620 . 9 1 1 A 63 63 ILE CB C 63 41.048 37.822 3.226 1
1 624 . 9 1 1 A 63 63 ILE N N 63 127.966 126.157 1.809 1
1 625 . 9 1 1 A 64 64 ASN H H 64 8.897 9.374 -0.477 1
1 626 . 9 1 1 A 64 64 ASN HA H 64 4.667 4.772 -0.105 1
1 631 . 9 1 1 A 64 64 ASN C C 64 174.686 174.492 0.194 1
1 632 . 9 1 1 A 64 64 ASN CA C 64 53.627 54.736 -1.109 1
1 633 . 9 1 1 A 64 64 ASN CB C 64 40.062 39.943 0.119 1
1 634 . 9 1 1 A 64 64 ASN N N 64 124.997 125.932 -0.935 1
1 636 . 9 1 1 A 65 65 ARG H H 65 7.419 7.625 -0.206 1
1 637 . 9 1 1 A 65 65 ARG HA H 65 5.155 4.892 0.263 1
1 645 . 9 1 1 A 65 65 ARG C C 65 173.788 174.207 -0.419 1
1 646 . 9 1 1 A 65 65 ARG CA C 65 55.703 54.845 0.858 1
1 647 . 9 1 1 A 65 65 ARG CB C 65 35.408 35.061 0.347 1
1 650 . 9 1 1 A 65 65 ARG N N 65 116.737 115.627 1.110 1
1 652 . 9 1 1 A 66 66 ILE H H 66 8.681 8.655 0.026 1
1 653 . 9 1 1 A 66 66 ILE HA H 66 4.574 4.982 -0.408 1
1 663 . 9 1 1 A 66 66 ILE C C 66 173.717 174.244 -0.527 1
1 664 . 9 1 1 A 66 66 ILE CA C 66 61.049 58.963 2.086 1
1 665 . 9 1 1 A 66 66 ILE CB C 66 42.988 42.399 0.589 1
1 669 . 9 1 1 A 66 66 ILE N N 66 123.359 117.141 6.218 1
1 670 . 9 1 1 A 67 67 THR H H 67 8.861 8.770 0.091 1
1 671 . 9 1 1 A 67 67 THR HA H 67 5.378 5.030 0.348 1
1 676 . 9 1 1 A 67 67 THR C C 67 173.526 173.442 0.084 1
1 677 . 9 1 1 A 67 67 THR CA C 67 61.112 61.794 -0.682 1
1 678 . 9 1 1 A 67 67 THR CB C 67 70.857 70.514 0.343 1
1 680 . 9 1 1 A 67 67 THR N N 67 124.375 118.427 5.948 1
1 681 . 9 1 1 A 68 68 ILE H H 68 9.768 9.132 0.636 1
1 682 . 9 1 1 A 68 68 ILE HA H 68 4.333 4.794 -0.461 1
1 692 . 9 1 1 A 68 68 ILE C C 68 173.743 174.932 -1.189 1
1 693 . 9 1 1 A 68 68 ILE CA C 68 61.237 59.711 1.526 1
1 694 . 9 1 1 A 68 68 ILE CB C 68 40.908 40.582 0.326 1
1 698 . 9 1 1 A 68 68 ILE N N 68 127.340 128.864 -1.524 1
1 699 . 9 1 1 A 69 69 LEU H H 69 9.045 9.311 -0.266 1
1 700 . 9 1 1 A 69 69 LEU HA H 69 5.074 5.042 0.032 1
1 710 . 9 1 1 A 69 69 LEU C C 69 175.502 175.155 0.347 1
1 711 . 9 1 1 A 69 69 LEU CA C 69 55.186 52.982 2.204 1
1 712 . 9 1 1 A 69 69 LEU CB C 69 42.702 44.471 -1.769 1
1 716 . 9 1 1 A 69 69 LEU N N 69 128.686 125.123 3.563 1
1 717 . 9 1 1 A 70 70 CYS H H 70 8.767 8.865 -0.098 1
1 718 . 9 1 1 A 70 70 CYS HA H 70 5.237 5.583 -0.346 1
1 720 . 9 1 1 A 70 70 CYS C C 70 173.558 173.437 0.121 1
1 721 . 9 1 1 A 70 70 CYS CA C 70 57.609 56.887 0.722 1
1 722 . 9 1 1 A 70 70 CYS CB C 70 29.830 29.052 0.778 1
1 723 . 9 1 1 A 70 70 CYS N N 70 120.856 121.675 -0.819 1
1 724 . 9 1 1 A 71 71 ASP H H 71 9.109 9.103 0.006 1
1 725 . 9 1 1 A 71 71 ASP HA H 71 5.193 5.640 -0.447 1
1 728 . 9 1 1 A 71 71 ASP C C 71 175.440 176.544 -1.104 1
1 729 . 9 1 1 A 71 71 ASP CA C 71 53.705 52.654 1.051 1
1 730 . 9 1 1 A 71 71 ASP CB C 71 44.774 42.863 1.911 1
1 731 . 9 1 1 A 71 71 ASP N N 71 124.936 123.928 1.008 1
1 732 . 9 1 1 A 72 72 LYS H H 72 8.262 8.792 -0.530 1
1 733 . 9 1 1 A 72 72 LYS HA H 72 4.553 4.635 -0.082 1
1 740 . 9 1 1 A 72 72 LYS C C 72 177.732 176.996 0.736 1
1 741 . 9 1 1 A 72 72 LYS CA C 72 55.608 56.321 -0.713 1
1 742 . 9 1 1 A 72 72 LYS CB C 72 32.469 32.293 0.176 1
1 745 . 9 1 1 A 72 72 LYS N N 72 120.339 122.187 -1.848 1
1 746 . 9 1 1 A 73 73 PHE H H 73 8.663 7.912 0.751 1
1 747 . 9 1 1 A 73 73 PHE HA H 73 4.357 4.205 0.152 1
1 752 . 9 1 1 A 73 73 PHE C C 73 177.148 178.397 -1.249 1
1 753 . 9 1 1 A 73 73 PHE CA C 73 60.214 61.638 -1.424 1
1 754 . 9 1 1 A 73 73 PHE CB C 73 39.157 39.238 -0.081 1
1 756 . 9 1 1 A 73 73 PHE N N 73 121.961 121.492 0.469 1
1 757 . 9 1 1 A 74 74 SER H H 74 8.780 7.551 1.229 1
1 758 . 9 1 1 A 74 74 SER HA H 74 4.353 4.577 -0.224 1
1 760 . 9 1 1 A 74 74 SER C C 74 174.810 174.719 0.091 1
1 761 . 9 1 1 A 74 74 SER CA C 74 58.965 58.289 0.676 1
1 762 . 9 1 1 A 74 74 SER CB C 74 63.650 63.588 0.062 1
1 763 . 9 1 1 A 74 74 SER N N 74 114.021 112.697 1.324 1
1 764 . 9 1 1 A 75 75 GLY H H 75 8.004 8.373 -0.369 1
1 765 . 9 1 1 A 75 75 GLY HA2 H 75 3.635 3.826 -0.191 1
1 766 . 9 1 1 A 75 75 GLY HA3 H 75 4.221 3.882 0.339 1
1 767 . 9 1 1 A 75 75 GLY C C 75 173.254 173.961 -0.707 1
1 768 . 9 1 1 A 75 75 GLY CA C 75 45.162 45.487 -0.325 1
1 769 . 9 1 1 A 75 75 GLY N N 75 108.714 110.128 -1.414 1
1 770 . 9 1 1 A 76 76 HIS H H 76 7.670 7.920 -0.250 1
1 771 . 9 1 1 A 76 76 HIS HA H 76 5.020 4.740 0.280 1
1 775 . 9 1 1 A 76 76 HIS CA C 76 52.522 54.284 -1.762 1
1 776 . 9 1 1 A 76 76 HIS CB C 76 29.410 30.550 -1.140 1
1 777 . 9 1 1 A 76 76 HIS N N 76 118.164 119.241 -1.077 1
1 778 . 9 1 1 A 77 77 PRO HA H 77 4.551 4.924 -0.373 1
1 784 . 9 1 1 A 77 77 PRO C C 77 176.458 176.481 -0.023 1
1 785 . 9 1 1 A 77 77 PRO CA C 77 63.263 63.000 0.263 1
1 786 . 9 1 1 A 77 77 PRO CB C 77 32.077 31.883 0.194 1
1 789 . 9 1 1 A 78 78 LYS H H 78 8.846 9.250 -0.404 1
1 790 . 9 1 1 A 78 78 LYS HA H 78 4.772 5.050 -0.278 1
1 796 . 9 1 1 A 78 78 LYS CA C 78 55.964 54.689 1.275 1
1 797 . 9 1 1 A 78 78 LYS CB C 78 35.816 35.114 0.702 1
1 799 . 9 1 1 A 78 78 LYS N N 78 124.197 122.720 1.477 1
1 800 . 9 1 1 A 79 79 GLY H H 79 8.352 8.600 -0.248 1
1 801 . 9 1 1 A 79 79 GLY HA2 H 79 3.871 4.276 -0.405 1
1 802 . 9 1 1 A 79 79 GLY HA3 H 79 5.451 4.304 1.147 1
1 803 . 9 1 1 A 79 79 GLY C C 79 173.400 172.156 1.244 1
1 804 . 9 1 1 A 79 79 GLY CA C 79 45.189 45.683 -0.494 1
1 805 . 9 1 1 A 79 79 GLY N N 79 109.568 108.168 1.400 1
1 806 . 9 1 1 A 80 80 TYR H H 80 8.856 8.790 0.066 1
1 807 . 9 1 1 A 80 80 TYR HA H 80 4.940 5.367 -0.427 1
1 814 . 9 1 1 A 80 80 TYR C C 80 171.720 172.836 -1.116 1
1 815 . 9 1 1 A 80 80 TYR CA C 80 56.267 56.649 -0.382 1
1 816 . 9 1 1 A 80 80 TYR CB C 80 40.003 41.641 -1.638 1
1 818 . 9 1 1 A 80 80 TYR N N 80 120.052 117.521 2.531 1
1 819 . 9 1 1 A 81 81 ALA H H 81 9.215 9.192 0.023 1
1 820 . 9 1 1 A 81 81 ALA HA H 81 5.386 5.445 -0.059 1
1 824 . 9 1 1 A 81 81 ALA C C 81 175.357 175.308 0.049 1
1 825 . 9 1 1 A 81 81 ALA CA C 81 50.089 50.461 -0.372 1
1 826 . 9 1 1 A 81 81 ALA CB C 81 24.030 23.470 0.560 1
1 827 . 9 1 1 A 81 81 ALA N N 81 120.138 122.337 -2.199 1
1 828 . 9 1 1 A 82 82 TYR H H 82 8.974 9.380 -0.406 1
1 829 . 9 1 1 A 82 82 TYR HA H 82 5.885 5.597 0.288 1
1 836 . 9 1 1 A 82 82 TYR C C 82 176.232 174.373 1.859 1
1 837 . 9 1 1 A 82 82 TYR CA C 82 55.626 56.591 -0.965 1
1 838 . 9 1 1 A 82 82 TYR CB C 82 41.536 40.409 1.127 1
1 839 . 9 1 1 A 82 82 TYR N N 82 114.621 118.277 -3.656 1
1 840 . 9 1 1 A 83 83 ILE H H 83 8.644 8.548 0.096 1
1 841 . 9 1 1 A 83 83 ILE HA H 83 4.275 4.407 -0.132 1
1 851 . 9 1 1 A 83 83 ILE C C 83 173.516 174.349 -0.833 1
1 852 . 9 1 1 A 83 83 ILE CA C 83 60.345 59.835 0.510 1
1 853 . 9 1 1 A 83 83 ILE CB C 83 39.535 38.075 1.460 1
1 857 . 9 1 1 A 83 83 ILE N N 83 122.447 124.702 -2.255 1
1 858 . 9 1 1 A 84 84 GLU H H 84 8.612 8.997 -0.385 1
1 859 . 9 1 1 A 84 84 GLU HA H 84 4.801 4.768 0.033 1
1 862 . 9 1 1 A 84 84 GLU C C 84 176.111 175.241 0.870 1
1 863 . 9 1 1 A 84 84 GLU CA C 84 54.496 54.274 0.222 1
1 864 . 9 1 1 A 84 84 GLU CB C 84 31.499 31.539 -0.040 1
1 865 . 9 1 1 A 84 84 GLU N N 84 127.346 127.701 -0.355 1
1 866 . 9 1 1 A 85 85 PHE H H 85 9.087 9.742 -0.655 1
1 867 . 9 1 1 A 85 85 PHE HA H 85 4.817 4.816 0.001 1
1 875 . 9 1 1 A 85 85 PHE C C 85 174.422 176.773 -2.351 1
1 876 . 9 1 1 A 85 85 PHE CA C 85 59.072 57.693 1.379 1
1 877 . 9 1 1 A 85 85 PHE CB C 85 40.765 41.390 -0.625 1
1 878 . 9 1 1 A 85 85 PHE N N 85 128.049 125.477 2.572 1
1 879 . 9 1 1 A 86 86 ALA H H 86 8.192 9.145 -0.953 1
1 880 . 9 1 1 A 86 86 ALA HA H 86 4.239 4.230 0.009 1
1 884 . 9 1 1 A 86 86 ALA C C 86 178.143 177.739 0.404 1
1 885 . 9 1 1 A 86 86 ALA CA C 86 54.524 53.956 0.568 1
1 886 . 9 1 1 A 86 86 ALA CB C 86 19.510 19.370 0.140 1
1 887 . 9 1 1 A 86 86 ALA N N 86 120.669 123.328 -2.659 1
1 888 . 9 1 1 A 87 87 GLU H H 87 8.455 8.064 0.391 1
1 889 . 9 1 1 A 87 87 GLU HA H 87 4.765 4.749 0.016 1
1 893 . 9 1 1 A 87 87 GLU C C 87 176.472 176.206 0.266 1
1 894 . 9 1 1 A 87 87 GLU CA C 87 54.353 54.860 -0.507 1
1 895 . 9 1 1 A 87 87 GLU CB C 87 32.624 32.232 0.392 1
1 897 . 9 1 1 A 87 87 GLU N N 87 114.204 117.911 -3.707 1
1 898 . 9 1 1 A 88 88 ARG H H 88 8.917 9.005 -0.088 1
1 899 . 9 1 1 A 88 88 ARG HA H 88 3.961 4.000 -0.039 1
1 905 . 9 1 1 A 88 88 ARG C C 88 178.900 177.802 1.098 1
1 906 . 9 1 1 A 88 88 ARG CA C 88 59.548 58.754 0.794 1
1 907 . 9 1 1 A 88 88 ARG CB C 88 30.073 29.903 0.170 1
1 910 . 9 1 1 A 88 88 ARG N N 88 121.592 125.588 -3.996 1
1 911 . 9 1 1 A 89 89 ASN H H 89 8.845 7.918 0.927 1
1 912 . 9 1 1 A 89 89 ASN HA H 89 4.497 4.486 0.011 1
1 916 . 9 1 1 A 89 89 ASN C C 89 177.179 178.187 -1.008 1
1 917 . 9 1 1 A 89 89 ASN CA C 89 55.861 55.527 0.334 1
1 918 . 9 1 1 A 89 89 ASN CB C 89 37.330 38.325 -0.995 1
1 919 . 9 1 1 A 89 89 ASN N N 89 116.555 117.340 -0.785 1
1 921 . 9 1 1 A 90 90 SER H H 90 7.513 7.759 -0.246 1
1 922 . 9 1 1 A 90 90 SER HA H 90 4.006 4.216 -0.210 1
1 925 . 9 1 1 A 90 90 SER C C 90 174.511 175.762 -1.251 1
1 926 . 9 1 1 A 90 90 SER CA C 90 61.395 62.247 -0.852 1
1 927 . 9 1 1 A 90 90 SER CB C 90 63.424 62.751 0.673 1
1 928 . 9 1 1 A 90 90 SER N N 90 116.007 118.400 -2.393 1
1 929 . 9 1 1 A 91 91 VAL H H 91 7.653 7.424 0.229 1
1 930 . 9 1 1 A 91 91 VAL HA H 91 3.201 3.412 -0.211 1
1 938 . 9 1 1 A 91 91 VAL C C 91 176.991 177.570 -0.579 1
1 939 . 9 1 1 A 91 91 VAL CA C 91 66.851 65.258 1.593 1
1 940 . 9 1 1 A 91 91 VAL CB C 91 31.599 31.528 0.071 1
1 943 . 9 1 1 A 91 91 VAL N N 91 119.934 119.362 0.572 1
1 944 . 9 1 1 A 92 92 ASP H H 92 7.192 7.917 -0.725 1
1 945 . 9 1 1 A 92 92 ASP HA H 92 4.321 4.308 0.013 1
1 947 . 9 1 1 A 92 92 ASP C C 92 178.585 177.875 0.710 1
1 948 . 9 1 1 A 92 92 ASP CA C 92 57.401 57.383 0.018 1
1 949 . 9 1 1 A 92 92 ASP CB C 92 40.078 42.017 -1.939 1
1 950 . 9 1 1 A 92 92 ASP N N 92 117.084 121.495 -4.411 1
1 951 . 9 1 1 A 93 93 ALA H H 93 6.946 7.718 -0.772 1
1 952 . 9 1 1 A 93 93 ALA HA H 93 4.186 4.180 0.006 1
1 956 . 9 1 1 A 93 93 ALA C C 93 179.272 179.876 -0.604 1
1 957 . 9 1 1 A 93 93 ALA CA C 93 54.445 54.620 -0.175 1
1 958 . 9 1 1 A 93 93 ALA CB C 93 18.164 18.233 -0.069 1
1 959 . 9 1 1 A 93 93 ALA N N 93 121.045 120.820 0.225 1
1 960 . 9 1 1 A 94 94 ALA H H 94 8.033 7.645 0.388 1
1 961 . 9 1 1 A 94 94 ALA HA H 94 4.545 4.155 0.390 1
1 965 . 9 1 1 A 94 94 ALA C C 94 180.529 179.618 0.911 1
1 966 . 9 1 1 A 94 94 ALA CA C 94 55.518 55.142 0.376 1
1 967 . 9 1 1 A 94 94 ALA CB C 94 19.455 18.525 0.930 1
1 968 . 9 1 1 A 94 94 ALA N N 94 122.191 120.522 1.669 1
1 969 . 9 1 1 A 95 95 VAL H H 95 8.565 8.606 -0.041 1
1 970 . 9 1 1 A 95 95 VAL HA H 95 3.741 3.870 -0.129 1
1 978 . 9 1 1 A 95 95 VAL C C 95 178.767 177.779 0.988 1
1 979 . 9 1 1 A 95 95 VAL CA C 95 65.820 64.771 1.049 1
1 980 . 9 1 1 A 95 95 VAL CB C 95 31.501 31.406 0.095 1
1 983 . 9 1 1 A 95 95 VAL N N 95 117.405 116.502 0.903 1
1 984 . 9 1 1 A 96 96 ALA H H 96 7.354 7.977 -0.623 1
1 985 . 9 1 1 A 96 96 ALA HA H 96 4.403 4.225 0.178 1
1 989 . 9 1 1 A 96 96 ALA C C 96 178.242 178.206 0.036 1
1 990 . 9 1 1 A 96 96 ALA CA C 96 53.916 53.956 -0.040 1
1 991 . 9 1 1 A 96 96 ALA CB C 96 17.841 18.304 -0.463 1
1 992 . 9 1 1 A 96 96 ALA N N 96 122.769 123.594 -0.825 1
1 993 . 9 1 1 A 97 97 MET H H 97 7.980 8.016 -0.036 1
1 994 . 9 1 1 A 97 97 MET HA H 97 4.471 5.309 -0.838 1
1 1002 . 9 1 1 A 97 97 MET C C 97 175.959 175.952 0.007 1
1 1003 . 9 1 1 A 97 97 MET CA C 97 55.150 54.654 0.496 1
1 1004 . 9 1 1 A 97 97 MET CB C 97 31.663 32.582 -0.919 1
1 1007 . 9 1 1 A 97 97 MET N N 97 115.573 116.618 -1.045 1
1 1008 . 9 1 1 A 98 98 ASP H H 98 7.852 8.212 -0.360 1
1 1009 . 9 1 1 A 98 98 ASP HA H 98 4.422 4.713 -0.291 1
1 1012 . 9 1 1 A 98 98 ASP C C 98 175.976 177.432 -1.456 1
1 1013 . 9 1 1 A 98 98 ASP CA C 98 57.476 57.523 -0.047 1
1 1014 . 9 1 1 A 98 98 ASP CB C 98 42.008 41.108 0.900 1
1 1015 . 9 1 1 A 98 98 ASP N N 98 121.576 121.802 -0.226 1
1 1016 . 9 1 1 A 99 99 GLU H H 99 8.643 7.775 0.868 1
1 1017 . 9 1 1 A 99 99 GLU HA H 99 4.154 4.638 -0.484 1
1 1022 . 9 1 1 A 99 99 GLU C C 99 176.369 176.344 0.025 1
1 1023 . 9 1 1 A 99 99 GLU CA C 99 58.403 55.548 2.855 1
1 1024 . 9 1 1 A 99 99 GLU CB C 99 26.214 30.253 -4.039 1
1 1026 . 9 1 1 A 99 99 GLU N N 99 119.455 118.148 1.307 1
1 1027 . 9 1 1 A 100 100 THR H H 100 7.416 7.503 -0.087 1
1 1028 . 9 1 1 A 100 100 THR HA H 100 4.498 4.493 0.005 1
1 1033 . 9 1 1 A 100 100 THR C C 100 172.876 174.286 -1.410 1
1 1034 . 9 1 1 A 100 100 THR CA C 100 61.065 62.242 -1.177 1
1 1035 . 9 1 1 A 100 100 THR CB C 100 72.140 69.697 2.443 1
1 1037 . 9 1 1 A 100 100 THR N N 100 107.670 115.071 -7.401 1
1 1038 . 9 1 1 A 101 101 VAL H H 101 8.252 8.544 -0.292 1
1 1039 . 9 1 1 A 101 101 VAL HA H 101 4.638 4.888 -0.250 1
1 1047 . 9 1 1 A 101 101 VAL C C 101 176.138 174.168 1.970 1
1 1048 . 9 1 1 A 101 101 VAL CA C 101 62.299 59.658 2.641 1
1 1049 . 9 1 1 A 101 101 VAL CB C 101 32.215 34.344 -2.129 1
1 1052 . 9 1 1 A 101 101 VAL N N 101 118.227 121.752 -3.525 1
1 1053 . 9 1 1 A 102 102 PHE H H 102 9.300 9.439 -0.139 1
1 1054 . 9 1 1 A 102 102 PHE HA H 102 4.671 4.912 -0.241 1
1 1061 . 9 1 1 A 102 102 PHE C C 102 174.216 174.852 -0.636 1
1 1062 . 9 1 1 A 102 102 PHE CA C 102 56.205 57.240 -1.035 1
1 1063 . 9 1 1 A 102 102 PHE CB C 102 41.707 42.168 -0.461 1
1 1064 . 9 1 1 A 102 102 PHE N N 102 128.863 129.553 -0.690 1
1 1065 . 9 1 1 A 103 103 ARG H H 103 9.167 8.894 0.273 1
1 1066 . 9 1 1 A 103 103 ARG HA H 103 3.389 3.717 -0.328 1
1 1075 . 9 1 1 A 103 103 ARG C C 103 176.014 175.301 0.713 1
1 1076 . 9 1 1 A 103 103 ARG CA C 103 57.215 56.743 0.472 1
1 1077 . 9 1 1 A 103 103 ARG CB C 103 27.382 28.678 -1.296 1
1 1080 . 9 1 1 A 103 103 ARG N N 103 128.268 126.588 1.680 1
1 1082 . 9 1 1 A 104 104 GLY H H 104 8.005 8.621 -0.616 1
1 1083 . 9 1 1 A 104 104 GLY HA2 H 104 4.006 3.811 0.195 1
1 1084 . 9 1 1 A 104 104 GLY HA3 H 104 3.455 3.824 -0.369 1
1 1085 . 9 1 1 A 104 104 GLY C C 104 173.766 173.535 0.231 1
1 1086 . 9 1 1 A 104 104 GLY CA C 104 45.598 45.309 0.289 1
1 1087 . 9 1 1 A 104 104 GLY N N 104 101.324 104.765 -3.441 1
1 1088 . 9 1 1 A 105 105 ARG H H 105 7.681 7.706 -0.025 1
1 1089 . 9 1 1 A 105 105 ARG HA H 105 4.735 4.939 -0.204 1
1 1097 . 9 1 1 A 105 105 ARG C C 105 174.543 174.824 -0.281 1
1 1098 . 9 1 1 A 105 105 ARG CA C 105 54.071 54.246 -0.175 1
1 1099 . 9 1 1 A 105 105 ARG CB C 105 33.159 33.394 -0.235 1
1 1102 . 9 1 1 A 105 105 ARG N N 105 119.837 116.142 3.695 1
1 1104 . 9 1 1 A 106 106 THR H H 106 8.604 8.658 -0.054 1
1 1105 . 9 1 1 A 106 106 THR HA H 106 4.593 4.497 0.096 1
1 1110 . 9 1 1 A 106 106 THR C C 106 175.643 174.354 1.289 1
1 1111 . 9 1 1 A 106 106 THR CA C 106 62.821 63.209 -0.388 1
1 1112 . 9 1 1 A 106 106 THR CB C 106 68.784 69.045 -0.261 1
1 1114 . 9 1 1 A 106 106 THR N N 106 118.251 117.672 0.579 1
1 1115 . 9 1 1 A 107 107 ILE H H 107 8.756 8.647 0.109 1
1 1116 . 9 1 1 A 107 107 ILE HA H 107 4.884 5.025 -0.141 1
1 1126 . 9 1 1 A 107 107 ILE C C 107 174.877 174.869 0.008 1
1 1127 . 9 1 1 A 107 107 ILE CA C 107 60.834 59.167 1.667 1
1 1128 . 9 1 1 A 107 107 ILE CB C 107 40.644 40.379 0.265 1
1 1132 . 9 1 1 A 107 107 ILE N N 107 123.422 123.654 -0.232 1
1 1133 . 9 1 1 A 108 108 LYS H H 108 7.412 8.162 -0.750 1
1 1134 . 9 1 1 A 108 108 LYS HA H 108 5.524 5.554 -0.030 1
1 1141 . 9 1 1 A 108 108 LYS C C 108 175.839 175.531 0.308 1
1 1142 . 9 1 1 A 108 108 LYS CA C 108 52.172 55.016 -2.844 1
1 1143 . 9 1 1 A 108 108 LYS CB C 108 33.947 35.114 -1.167 1
1 1147 . 9 1 1 A 108 108 LYS N N 108 121.402 121.632 -0.230 1
1 1148 . 9 1 1 A 109 109 VAL H H 109 9.467 9.010 0.457 1
1 1149 . 9 1 1 A 109 109 VAL HA H 109 5.410 5.425 -0.015 1
1 1157 . 9 1 1 A 109 109 VAL C C 109 174.514 175.048 -0.534 1
1 1158 . 9 1 1 A 109 109 VAL CA C 109 61.258 61.547 -0.289 1
1 1159 . 9 1 1 A 109 109 VAL CB C 109 34.289 33.964 0.325 1
1 1162 . 9 1 1 A 109 109 VAL N N 109 125.530 123.553 1.977 1
1 1163 . 9 1 1 A 110 110 LEU H H 110 9.081 8.980 0.101 1
1 1164 . 9 1 1 A 110 110 LEU HA H 110 5.109 4.954 0.155 1
1 1173 . 9 1 1 A 110 110 LEU CA C 110 51.660 50.798 0.862 1
1 1174 . 9 1 1 A 110 110 LEU CB C 110 46.037 44.551 1.486 1
1 1178 . 9 1 1 A 110 110 LEU N N 110 125.323 123.954 1.369 1
1 1179 . 9 1 1 A 111 111 PRO HA H 111 4.539 4.673 -0.134 1
1 1186 . 9 1 1 A 111 111 PRO C C 111 176.222 176.087 0.135 1
1 1187 . 9 1 1 A 111 111 PRO CA C 111 63.390 62.455 0.935 1
1 1188 . 9 1 1 A 111 111 PRO CB C 111 31.697 32.642 -0.945 1
1 1191 . 9 1 1 A 112 112 LYS H H 112 8.121 8.608 -0.487 1
1 1192 . 9 1 1 A 112 112 LYS HA H 112 4.113 4.602 -0.489 1
1 1199 . 9 1 1 A 112 112 LYS C C 112 175.830 175.389 0.441 1
1 1200 . 9 1 1 A 112 112 LYS CA C 112 58.405 55.719 2.686 1
1 1201 . 9 1 1 A 112 112 LYS CB C 112 33.746 31.952 1.794 1
1 1204 . 9 1 1 A 112 112 LYS N N 112 124.317 122.242 2.075 1
1 1205 . 9 1 1 A 113 113 ARG H H 113 8.228 8.181 0.047 1
1 1206 . 9 1 1 A 113 113 ARG HA H 113 4.451 4.916 -0.465 1
1 1211 . 9 1 1 A 113 113 ARG C C 113 175.758 173.226 2.532 1
1 1212 . 9 1 1 A 113 113 ARG CA C 113 55.468 54.961 0.507 1
1 1213 . 9 1 1 A 113 113 ARG CB C 113 31.550 32.367 -0.817 1
1 1215 . 9 1 1 A 113 113 ARG N N 113 121.228 122.662 -1.434 1
1 1216 . 9 1 1 A 114 114 THR H H 114 8.138 8.739 -0.601 1
1 1217 . 9 1 1 A 114 114 THR HA H 114 4.264 5.059 -0.795 1
1 1222 . 9 1 1 A 114 114 THR C C 114 174.043 172.921 1.122 1
1 1223 . 9 1 1 A 114 114 THR CA C 114 62.229 60.084 2.145 1
1 1224 . 9 1 1 A 114 114 THR CB C 114 69.682 71.102 -1.420 1
1 1226 . 9 1 1 A 114 114 THR N N 114 116.384 114.865 1.519 1
1 1227 . 9 1 1 A 115 115 ASN H H 115 8.406 8.677 -0.271 1
1 1228 . 9 1 1 A 115 115 ASN HA H 115 4.682 5.276 -0.594 1
1 1233 . 9 1 1 A 115 115 ASN C C 115 174.513 173.349 1.164 1
1 1234 . 9 1 1 A 115 115 ASN CA C 115 53.242 52.003 1.239 1
1 1235 . 9 1 1 A 115 115 ASN CB C 115 38.888 42.596 -3.708 1
1 1236 . 9 1 1 A 115 115 ASN N N 115 120.871 126.281 -5.410 1
1 1238 . 9 1 1 A 116 116 MET H H 116 8.138 8.654 -0.516 1
1 1239 . 9 1 1 A 116 116 MET CA C 116 53.400 54.041 -0.641 1
1 1240 . 9 1 1 A 116 116 MET CB C 116 32.829 33.854 -1.025 1
1 1241 . 9 1 1 A 116 116 MET N N 116 121.611 123.365 -1.754 1
1 1242 . 9 1 1 A 117 117 PRO HA H 117 4.428 4.371 0.057 1
1 1245 . 9 1 1 A 117 117 PRO C C 117 175.935 177.650 -1.715 1
1 1246 . 9 1 1 A 117 117 PRO CA C 117 63.489 64.107 -0.618 1
1 1247 . 9 1 1 A 117 117 PRO CB C 117 32.105 32.055 0.050 1
1 1248 . 9 1 1 A 118 118 GLY H H 118 8.411 8.067 0.344 1
1 1249 . 9 1 1 A 118 118 GLY HA2 H 118 3.927 3.986 -0.059 1
1 1250 . 9 1 1 A 118 118 GLY HA3 H 118 4.389 3.987 0.402 1
1 1251 . 9 1 1 A 118 118 GLY C C 118 174.117 174.555 -0.438 1
1 1252 . 9 1 1 A 118 118 GLY CA C 118 45.470 46.074 -0.604 1
1 1253 . 9 1 1 A 118 118 GLY N N 118 109.241 109.150 0.091 1
1 1254 . 9 1 1 A 119 119 ILE H H 119 7.825 8.105 -0.280 1
1 1255 . 9 1 1 A 119 119 ILE HA H 119 4.234 4.182 0.052 1
1 1265 . 9 1 1 A 119 119 ILE C C 119 176.261 174.982 1.279 1
1 1266 . 9 1 1 A 119 119 ILE CA C 119 61.029 61.409 -0.380 1
1 1267 . 9 1 1 A 119 119 ILE CB C 119 38.878 37.666 1.212 1
1 1270 . 9 1 1 A 119 119 ILE N N 119 119.504 120.801 -1.297 1
1 1271 . 9 1 1 A 120 120 SER H H 120 8.397 7.670 0.727 1
1 1272 . 9 1 1 A 120 120 SER HA H 120 4.534 4.807 -0.273 1
1 1274 . 9 1 1 A 120 120 SER C C 120 174.692 172.423 2.269 1
1 1275 . 9 1 1 A 120 120 SER CA C 120 58.150 57.258 0.892 1
1 1276 . 9 1 1 A 120 120 SER CB C 120 63.997 64.888 -0.891 1
1 1277 . 9 1 1 A 120 120 SER N N 120 119.359 114.874 4.485 1
1 1278 . 9 1 1 A 121 121 SER H H 121 8.371 8.646 -0.275 1
1 1279 . 9 1 1 A 121 121 SER HA H 121 4.360 4.768 -0.408 1
1 1280 . 9 1 1 A 121 121 SER C C 121 174.809 174.576 0.233 1
1 1281 . 9 1 1 A 121 121 SER CA C 121 58.656 57.202 1.454 1
1 1282 . 9 1 1 A 121 121 SER CB C 121 63.795 65.394 -1.599 1
1 1283 . 9 1 1 A 121 121 SER N N 121 118.036 117.371 0.665 1
1 1284 . 9 1 1 A 122 122 THR H H 122 8.100 8.433 -0.333 1
1 1285 . 9 1 1 A 122 122 THR C C 122 174.254 174.430 -0.176 1
1 1286 . 9 1 1 A 122 122 THR CA C 122 61.829 63.327 -1.498 1
1 1287 . 9 1 1 A 122 122 THR CB C 122 69.537 68.839 0.698 1
1 1288 . 9 1 1 A 122 122 THR N N 122 114.163 111.533 2.630 1
1 1289 . 9 1 1 A 123 123 ASP H H 123 8.197 7.275 0.922 1
1 1290 . 9 1 1 A 123 123 ASP HA H 123 4.641 4.583 0.058 1
1 1292 . 9 1 1 A 123 123 ASP C C 123 174.975 175.684 -0.709 1
1 1293 . 9 1 1 A 123 123 ASP CA C 123 54.542 53.419 1.123 1
1 1294 . 9 1 1 A 123 123 ASP CB C 123 41.144 41.024 0.120 1
1 1295 . 9 1 1 A 123 123 ASP N N 123 122.772 123.557 -0.785 1
1 8 . 10 1 1 A 2 2 ILE H H 2 8.420 9.004 -0.584 1
1 9 . 10 1 1 A 2 2 ILE HA H 2 4.219 4.691 -0.472 1
1 11 . 10 1 1 A 2 2 ILE C C 2 175.424 174.706 0.718 1
1 12 . 10 1 1 A 2 2 ILE CA C 2 61.022 59.863 1.159 1
1 13 . 10 1 1 A 2 2 ILE CB C 2 38.918 40.050 -1.132 1
1 14 . 10 1 1 A 2 2 ILE N N 2 120.314 123.955 -3.641 1
1 15 . 10 1 1 A 3 3 ALA H H 3 8.374 8.844 -0.470 1
1 16 . 10 1 1 A 3 3 ALA CA C 3 50.509 49.023 1.486 1
1 17 . 10 1 1 A 3 3 ALA CB C 3 18.608 20.431 -1.823 1
1 18 . 10 1 1 A 3 3 ALA N N 3 129.874 129.432 0.442 1
1 19 . 10 1 1 A 4 4 PRO HA H 4 4.446 4.717 -0.271 1
1 22 . 10 1 1 A 4 4 PRO C C 4 176.949 177.097 -0.148 1
1 23 . 10 1 1 A 4 4 PRO CA C 4 63.456 62.360 1.096 1
1 24 . 10 1 1 A 4 4 PRO CB C 4 32.203 31.257 0.946 1
1 25 . 10 1 1 A 5 5 CYS H H 5 8.347 8.619 -0.272 1
1 26 . 10 1 1 A 5 5 CYS HA H 5 4.492 4.327 0.165 1
1 28 . 10 1 1 A 5 5 CYS C C 5 174.805 175.430 -0.625 1
1 29 . 10 1 1 A 5 5 CYS CA C 5 58.495 61.684 -3.189 1
1 30 . 10 1 1 A 5 5 CYS CB C 5 27.957 28.898 -0.941 1
1 31 . 10 1 1 A 5 5 CYS N N 5 118.477 123.860 -5.383 1
1 32 . 10 1 1 A 6 6 MET H H 6 8.421 8.014 0.407 1
1 33 . 10 1 1 A 6 6 MET HA H 6 4.534 4.261 0.273 1
1 35 . 10 1 1 A 6 6 MET C C 6 176.132 175.066 1.066 1
1 36 . 10 1 1 A 6 6 MET CA C 6 55.629 56.855 -1.226 1
1 37 . 10 1 1 A 6 6 MET CB C 6 33.048 31.237 1.811 1
1 38 . 10 1 1 A 6 6 MET N N 6 122.952 116.053 6.899 1
1 39 . 10 1 1 A 7 7 GLN H H 7 8.313 7.998 0.315 1
1 40 . 10 1 1 A 7 7 GLN HA H 7 4.435 4.493 -0.058 1
1 42 . 10 1 1 A 7 7 GLN C C 7 176.128 174.691 1.437 1
1 43 . 10 1 1 A 7 7 GLN CA C 7 56.109 55.218 0.891 1
1 44 . 10 1 1 A 7 7 GLN CB C 7 29.591 28.343 1.248 1
1 45 . 10 1 1 A 7 7 GLN N N 7 121.379 117.970 3.409 1
1 46 . 10 1 1 A 8 8 THR H H 8 8.195 8.654 -0.459 1
1 47 . 10 1 1 A 8 8 THR HA H 8 4.406 4.760 -0.354 1
1 49 . 10 1 1 A 8 8 THR C C 8 174.739 173.978 0.761 1
1 50 . 10 1 1 A 8 8 THR CA C 8 61.856 61.328 0.528 1
1 51 . 10 1 1 A 8 8 THR CB C 8 69.854 71.764 -1.910 1
1 52 . 10 1 1 A 8 8 THR N N 8 115.096 119.546 -4.450 1
1 53 . 10 1 1 A 9 9 THR H H 9 8.081 8.910 -0.829 1
1 54 . 10 1 1 A 9 9 THR HA H 9 4.335 5.403 -1.068 1
1 56 . 10 1 1 A 9 9 THR C C 9 174.407 174.388 0.019 1
1 57 . 10 1 1 A 9 9 THR CA C 9 61.896 59.407 2.489 1
1 58 . 10 1 1 A 9 9 THR CB C 9 69.811 71.487 -1.676 1
1 59 . 10 1 1 A 9 9 THR N N 9 115.837 117.359 -1.522 1
1 60 . 10 1 1 A 10 10 HIS H H 10 8.477 8.395 0.082 1
1 61 . 10 1 1 A 10 10 HIS HA H 10 4.788 5.217 -0.429 1
1 64 . 10 1 1 A 10 10 HIS C C 10 174.571 174.462 0.109 1
1 65 . 10 1 1 A 10 10 HIS CA C 10 55.477 54.077 1.400 1
1 66 . 10 1 1 A 10 10 HIS CB C 10 29.291 32.552 -3.261 1
1 67 . 10 1 1 A 10 10 HIS N N 10 120.606 118.093 2.513 1
1 68 . 10 1 1 A 11 11 SER H H 11 8.306 9.293 -0.987 1
1 69 . 10 1 1 A 11 11 SER HA H 11 4.448 3.972 0.476 1
1 71 . 10 1 1 A 11 11 SER C C 11 174.512 173.052 1.460 1
1 72 . 10 1 1 A 11 11 SER CA C 11 58.557 59.233 -0.676 1
1 73 . 10 1 1 A 11 11 SER CB C 11 63.943 61.763 2.180 1
1 74 . 10 1 1 A 11 11 SER N N 11 117.043 115.141 1.902 1
1 75 . 10 1 1 A 12 12 LYS H H 12 8.402 8.046 0.356 1
1 76 . 10 1 1 A 12 12 LYS HA H 12 4.359 4.745 -0.386 1
1 79 . 10 1 1 A 12 12 LYS C C 12 176.592 175.467 1.125 1
1 80 . 10 1 1 A 12 12 LYS CA C 12 56.634 55.313 1.321 1
1 81 . 10 1 1 A 12 12 LYS CB C 12 33.127 36.557 -3.430 1
1 82 . 10 1 1 A 12 12 LYS N N 12 123.023 123.408 -0.385 1
1 83 . 10 1 1 A 13 13 MET H H 13 8.343 8.852 -0.509 1
1 84 . 10 1 1 A 13 13 MET HA H 13 4.530 4.956 -0.426 1
1 88 . 10 1 1 A 13 13 MET C C 13 176.373 175.481 0.892 1
1 89 . 10 1 1 A 13 13 MET CA C 13 55.680 54.691 0.989 1
1 90 . 10 1 1 A 13 13 MET CB C 13 32.925 33.334 -0.409 1
1 91 . 10 1 1 A 13 13 MET N N 13 121.294 123.904 -2.610 1
1 92 . 10 1 1 A 14 14 THR H H 14 8.068 7.212 0.856 1
1 93 . 10 1 1 A 14 14 THR HA H 14 4.333 4.331 0.002 1
1 97 . 10 1 1 A 14 14 THR C C 14 174.246 174.396 -0.150 1
1 98 . 10 1 1 A 14 14 THR CA C 14 61.770 61.957 -0.187 1
1 99 . 10 1 1 A 14 14 THR CB C 14 69.894 68.686 1.208 1
1 100 . 10 1 1 A 14 14 THR N N 14 115.254 113.242 2.012 1
1 101 . 10 1 1 A 15 15 ALA H H 15 8.289 8.287 0.002 1
1 102 . 10 1 1 A 15 15 ALA HA H 15 4.344 5.145 -0.801 1
1 106 . 10 1 1 A 15 15 ALA C C 15 178.080 176.041 2.039 1
1 107 . 10 1 1 A 15 15 ALA CA C 15 52.779 51.230 1.549 1
1 108 . 10 1 1 A 15 15 ALA CB C 15 19.286 22.887 -3.601 1
1 109 . 10 1 1 A 15 15 ALA N N 15 126.372 127.755 -1.383 1
1 110 . 10 1 1 A 16 16 GLY H H 16 8.291 8.167 0.124 1
1 111 . 10 1 1 A 16 16 GLY HA2 H 16 3.913 4.098 -0.185 1
1 112 . 10 1 1 A 16 16 GLY C C 16 173.788 174.163 -0.375 1
1 113 . 10 1 1 A 16 16 GLY CA C 16 45.298 45.522 -0.224 1
1 114 . 10 1 1 A 16 16 GLY N N 16 108.095 108.993 -0.898 1
1 115 . 10 1 1 A 17 17 ALA H H 17 8.000 8.621 -0.621 1
1 116 . 10 1 1 A 17 17 ALA HA H 17 4.292 4.628 -0.336 1
1 120 . 10 1 1 A 17 17 ALA C C 17 177.366 175.902 1.464 1
1 121 . 10 1 1 A 17 17 ALA CA C 17 52.518 51.061 1.457 1
1 122 . 10 1 1 A 17 17 ALA CB C 17 19.577 19.142 0.435 1
1 123 . 10 1 1 A 17 17 ALA N N 17 123.370 125.289 -1.919 1
1 124 . 10 1 1 A 18 18 TYR H H 18 8.135 7.853 0.282 1
1 125 . 10 1 1 A 18 18 TYR HA H 18 4.640 5.063 -0.423 1
1 129 . 10 1 1 A 18 18 TYR C C 18 176.031 174.579 1.452 1
1 130 . 10 1 1 A 18 18 TYR CA C 18 57.973 56.410 1.563 1
1 131 . 10 1 1 A 18 18 TYR CB C 18 38.661 39.958 -1.297 1
1 132 . 10 1 1 A 18 18 TYR N N 18 119.212 119.800 -0.588 1
1 133 . 10 1 1 A 19 19 THR H H 19 7.912 8.282 -0.370 1
1 134 . 10 1 1 A 19 19 THR HA H 19 4.267 4.426 -0.159 1
1 139 . 10 1 1 A 19 19 THR C C 19 173.995 174.980 -0.985 1
1 140 . 10 1 1 A 19 19 THR CA C 19 61.848 62.960 -1.112 1
1 141 . 10 1 1 A 19 19 THR CB C 19 69.756 70.146 -0.390 1
1 142 . 10 1 1 A 19 19 THR N N 19 115.764 122.586 -6.822 1
1 143 . 10 1 1 A 20 20 GLU H H 20 8.077 8.056 0.021 1
1 144 . 10 1 1 A 20 20 GLU HA H 20 4.301 3.791 0.510 1
1 148 . 10 1 1 A 20 20 GLU C C 20 176.128 175.962 0.166 1
1 149 . 10 1 1 A 20 20 GLU CA C 20 56.312 58.750 -2.438 1
1 150 . 10 1 1 A 20 20 GLU CB C 20 30.423 27.992 2.431 1
1 152 . 10 1 1 A 20 20 GLU N N 20 122.553 119.385 3.168 1
1 153 . 10 1 1 A 21 21 GLY H H 21 7.966 8.130 -0.164 1
1 154 . 10 1 1 A 21 21 GLY HA2 H 21 3.903 3.949 -0.046 1
1 155 . 10 1 1 A 21 21 GLY CA C 21 44.257 44.645 -0.388 1
1 156 . 10 1 1 A 21 21 GLY N N 21 109.544 106.714 2.830 1
1 157 . 10 1 1 A 22 22 PRO HA H 22 4.232 4.338 -0.106 1
1 164 . 10 1 1 A 22 22 PRO CA C 22 61.109 64.985 -3.876 1
1 165 . 10 1 1 A 22 22 PRO CB C 22 30.711 31.451 -0.740 1
1 168 . 10 1 1 A 23 23 PRO HA H 23 4.363 4.487 -0.124 1
1 174 . 10 1 1 A 23 23 PRO C C 23 176.567 176.692 -0.125 1
1 175 . 10 1 1 A 23 23 PRO CA C 23 62.733 62.796 -0.063 1
1 176 . 10 1 1 A 23 23 PRO CB C 23 32.048 31.778 0.270 1
1 179 . 10 1 1 A 24 24 GLN H H 24 8.286 8.394 -0.108 1
1 180 . 10 1 1 A 24 24 GLN HA H 24 4.479 4.492 -0.013 1
1 186 . 10 1 1 A 24 24 GLN CA C 24 53.763 53.983 -0.220 1
1 187 . 10 1 1 A 24 24 GLN CB C 24 28.800 28.657 0.143 1
1 189 . 10 1 1 A 24 24 GLN N N 24 121.215 121.668 -0.453 1
1 191 . 10 1 1 A 25 25 PRO HA H 25 4.389 4.531 -0.142 1
1 198 . 10 1 1 A 25 25 PRO C C 25 176.707 176.980 -0.273 1
1 199 . 10 1 1 A 25 25 PRO CA C 25 62.867 62.848 0.019 1
1 200 . 10 1 1 A 25 25 PRO CB C 25 32.174 32.012 0.162 1
1 203 . 10 1 1 A 26 26 LEU H H 26 8.244 8.290 -0.046 1
1 204 . 10 1 1 A 26 26 LEU HA H 26 4.405 4.432 -0.027 1
1 214 . 10 1 1 A 26 26 LEU C C 26 177.517 176.688 0.829 1
1 215 . 10 1 1 A 26 26 LEU CA C 26 54.643 53.531 1.112 1
1 216 . 10 1 1 A 26 26 LEU CB C 26 43.618 43.765 -0.147 1
1 220 . 10 1 1 A 26 26 LEU N N 26 122.745 119.482 3.263 1
1 221 . 10 1 1 A 27 27 SER H H 27 8.758 8.398 0.360 1
1 222 . 10 1 1 A 27 27 SER HA H 27 4.474 4.515 -0.041 1
1 225 . 10 1 1 A 27 27 SER C C 27 174.789 175.774 -0.985 1
1 226 . 10 1 1 A 27 27 SER CA C 27 57.461 58.634 -1.173 1
1 227 . 10 1 1 A 27 27 SER CB C 27 65.280 63.583 1.697 1
1 228 . 10 1 1 A 27 27 SER N N 27 117.967 116.123 1.844 1
1 229 . 10 1 1 A 28 28 ALA H H 28 8.841 9.028 -0.187 1
1 230 . 10 1 1 A 28 28 ALA HA H 28 4.037 3.987 0.050 1
1 234 . 10 1 1 A 28 28 ALA CA C 28 55.346 55.406 -0.060 1
1 235 . 10 1 1 A 28 28 ALA CB C 28 18.347 18.251 0.096 1
1 236 . 10 1 1 A 28 28 ALA N N 28 124.144 130.261 -6.117 1
1 237 . 10 1 1 A 29 29 GLU H H 29 8.565 8.039 0.526 1
1 238 . 10 1 1 A 29 29 GLU HA H 29 4.026 3.984 0.042 1
1 242 . 10 1 1 A 29 29 GLU C C 29 178.877 179.554 -0.677 1
1 243 . 10 1 1 A 29 29 GLU CA C 29 59.430 59.459 -0.029 1
1 244 . 10 1 1 A 29 29 GLU CB C 29 29.244 29.173 0.071 1
1 246 . 10 1 1 A 29 29 GLU N N 29 117.527 117.773 -0.246 1
1 247 . 10 1 1 A 30 30 GLU H H 30 7.823 8.219 -0.396 1
1 248 . 10 1 1 A 30 30 GLU HA H 30 4.054 4.029 0.025 1
1 253 . 10 1 1 A 30 30 GLU C C 30 179.191 179.432 -0.241 1
1 254 . 10 1 1 A 30 30 GLU CA C 30 59.037 59.288 -0.251 1
1 255 . 10 1 1 A 30 30 GLU CB C 30 30.102 29.182 0.920 1
1 257 . 10 1 1 A 30 30 GLU N N 30 120.773 120.713 0.060 1
1 258 . 10 1 1 A 31 31 LYS H H 31 8.246 7.577 0.669 1
1 259 . 10 1 1 A 31 31 LYS HA H 31 3.844 4.088 -0.244 1
1 266 . 10 1 1 A 31 31 LYS C C 31 177.968 179.486 -1.518 1
1 267 . 10 1 1 A 31 31 LYS CA C 31 59.889 59.393 0.496 1
1 268 . 10 1 1 A 31 31 LYS CB C 31 32.350 31.994 0.356 1
1 272 . 10 1 1 A 31 31 LYS N N 31 119.315 119.820 -0.505 1
1 273 . 10 1 1 A 32 32 LYS H H 32 7.698 7.950 -0.252 1
1 274 . 10 1 1 A 32 32 LYS HA H 32 4.043 4.189 -0.146 1
1 282 . 10 1 1 A 32 32 LYS C C 32 178.848 179.304 -0.456 1
1 283 . 10 1 1 A 32 32 LYS CA C 32 59.479 59.479 0.000 1
1 284 . 10 1 1 A 32 32 LYS CB C 32 32.459 32.194 0.265 1
1 288 . 10 1 1 A 32 32 LYS N N 32 118.195 119.569 -1.374 1
1 289 . 10 1 1 A 33 33 GLU H H 33 7.512 8.203 -0.691 1
1 290 . 10 1 1 A 33 33 GLU HA H 33 4.031 4.080 -0.049 1
1 295 . 10 1 1 A 33 33 GLU C C 33 178.989 179.400 -0.411 1
1 296 . 10 1 1 A 33 33 GLU CA C 33 59.157 58.955 0.202 1
1 297 . 10 1 1 A 33 33 GLU CB C 33 29.220 29.551 -0.331 1
1 299 . 10 1 1 A 33 33 GLU N N 33 118.459 120.119 -1.660 1
1 300 . 10 1 1 A 34 34 ILE H H 34 7.912 7.880 0.032 1
1 301 . 10 1 1 A 34 34 ILE HA H 34 3.503 3.849 -0.346 1
1 311 . 10 1 1 A 34 34 ILE C C 34 180.639 177.785 2.854 1
1 312 . 10 1 1 A 34 34 ILE CA C 34 65.305 63.999 1.306 1
1 313 . 10 1 1 A 34 34 ILE CB C 34 38.540 37.459 1.081 1
1 317 . 10 1 1 A 34 34 ILE N N 34 120.176 117.917 2.259 1
1 318 . 10 1 1 A 35 35 ASP H H 35 8.457 8.447 0.010 1
1 319 . 10 1 1 A 35 35 ASP HA H 35 4.145 4.380 -0.235 1
1 322 . 10 1 1 A 35 35 ASP C C 35 178.790 179.288 -0.498 1
1 323 . 10 1 1 A 35 35 ASP CA C 35 58.322 57.367 0.955 1
1 324 . 10 1 1 A 35 35 ASP CB C 35 39.538 39.889 -0.351 1
1 325 . 10 1 1 A 35 35 ASP N N 35 123.589 122.022 1.567 1
1 326 . 10 1 1 A 36 36 LYS H H 36 7.573 7.948 -0.375 1
1 327 . 10 1 1 A 36 36 LYS HA H 36 4.187 4.109 0.078 1
1 334 . 10 1 1 A 36 36 LYS C C 36 176.400 178.199 -1.799 1
1 335 . 10 1 1 A 36 36 LYS CA C 36 58.656 58.972 -0.316 1
1 336 . 10 1 1 A 36 36 LYS CB C 36 32.991 32.081 0.910 1
1 340 . 10 1 1 A 36 36 LYS N N 36 117.506 119.705 -2.199 1
1 341 . 10 1 1 A 37 37 ARG H H 37 7.397 7.759 -0.362 1
1 342 . 10 1 1 A 37 37 ARG HA H 37 4.658 4.635 0.023 1
1 348 . 10 1 1 A 37 37 ARG C C 37 174.361 175.275 -0.914 1
1 349 . 10 1 1 A 37 37 ARG CA C 37 55.793 56.083 -0.290 1
1 350 . 10 1 1 A 37 37 ARG CB C 37 31.260 30.419 0.841 1
1 353 . 10 1 1 A 37 37 ARG N N 37 115.182 115.070 0.112 1
1 354 . 10 1 1 A 38 38 SER H H 38 7.416 7.662 -0.246 1
1 355 . 10 1 1 A 38 38 SER HA H 38 6.346 5.113 1.233 1
1 358 . 10 1 1 A 38 38 SER C C 38 173.807 173.299 0.508 1
1 359 . 10 1 1 A 38 38 SER CA C 38 57.574 57.325 0.249 1
1 360 . 10 1 1 A 38 38 SER CB C 38 67.003 66.454 0.549 1
1 361 . 10 1 1 A 38 38 SER N N 38 112.872 115.557 -2.685 1
1 362 . 10 1 1 A 39 39 VAL H H 39 8.812 8.836 -0.024 1
1 363 . 10 1 1 A 39 39 VAL HA H 39 5.117 5.109 0.008 1
1 371 . 10 1 1 A 39 39 VAL C C 39 174.519 173.555 0.964 1
1 372 . 10 1 1 A 39 39 VAL CA C 39 59.085 59.257 -0.172 1
1 373 . 10 1 1 A 39 39 VAL CB C 39 34.476 35.745 -1.269 1
1 376 . 10 1 1 A 39 39 VAL N N 39 111.961 116.541 -4.580 1
1 377 . 10 1 1 A 40 40 TYR H H 40 9.366 9.702 -0.336 1
1 378 . 10 1 1 A 40 40 TYR HA H 40 5.108 4.396 0.712 1
1 385 . 10 1 1 A 40 40 TYR C C 40 172.976 174.110 -1.134 1
1 386 . 10 1 1 A 40 40 TYR CA C 40 56.633 56.258 0.375 1
1 387 . 10 1 1 A 40 40 TYR CB C 40 41.058 40.418 0.640 1
1 390 . 10 1 1 A 40 40 TYR N N 40 123.743 124.897 -1.154 1
1 391 . 10 1 1 A 41 41 VAL H H 41 8.734 9.198 -0.464 1
1 392 . 10 1 1 A 41 41 VAL HA H 41 4.876 5.001 -0.125 1
1 400 . 10 1 1 A 41 41 VAL C C 41 174.651 175.358 -0.707 1
1 401 . 10 1 1 A 41 41 VAL CA C 41 59.798 60.940 -1.142 1
1 402 . 10 1 1 A 41 41 VAL CB C 41 33.329 33.579 -0.250 1
1 405 . 10 1 1 A 41 41 VAL N N 41 127.436 127.622 -0.186 1
1 406 . 10 1 1 A 42 42 GLY H H 42 9.669 9.273 0.396 1
1 407 . 10 1 1 A 42 42 GLY HA2 H 42 3.612 4.429 -0.817 1
1 408 . 10 1 1 A 42 42 GLY HA3 H 42 4.392 4.526 -0.134 1
1 409 . 10 1 1 A 42 42 GLY C C 42 173.639 173.018 0.621 1
1 410 . 10 1 1 A 42 42 GLY CA C 42 44.169 45.014 -0.845 1
1 411 . 10 1 1 A 42 42 GLY N N 42 113.263 114.493 -1.230 1
1 412 . 10 1 1 A 43 43 ASN H H 43 8.412 8.748 -0.336 1
1 413 . 10 1 1 A 43 43 ASN HA H 43 4.510 5.095 -0.585 1
1 418 . 10 1 1 A 43 43 ASN C C 43 174.364 174.368 -0.004 1
1 419 . 10 1 1 A 43 43 ASN CA C 43 53.557 52.444 1.113 1
1 420 . 10 1 1 A 43 43 ASN CB C 43 37.283 39.781 -2.498 1
1 421 . 10 1 1 A 43 43 ASN N N 43 115.451 122.715 -7.264 1
1 423 . 10 1 1 A 44 44 VAL H H 44 7.083 7.642 -0.559 1
1 424 . 10 1 1 A 44 44 VAL HA H 44 3.975 4.686 -0.711 1
1 432 . 10 1 1 A 44 44 VAL C C 44 175.885 174.490 1.395 1
1 433 . 10 1 1 A 44 44 VAL CA C 44 61.614 60.912 0.702 1
1 434 . 10 1 1 A 44 44 VAL CB C 44 32.914 34.002 -1.088 1
1 437 . 10 1 1 A 44 44 VAL N N 44 115.399 120.783 -5.384 1
1 438 . 10 1 1 A 45 45 ASP H H 45 8.305 8.768 -0.463 1
1 439 . 10 1 1 A 45 45 ASP HA H 45 4.467 4.873 -0.406 1
1 442 . 10 1 1 A 45 45 ASP C C 45 177.205 177.236 -0.031 1
1 443 . 10 1 1 A 45 45 ASP CA C 45 54.613 53.330 1.283 1
1 444 . 10 1 1 A 45 45 ASP CB C 45 43.657 41.638 2.019 1
1 445 . 10 1 1 A 45 45 ASP N N 45 124.440 129.466 -5.026 1
1 446 . 10 1 1 A 46 46 TYR H H 46 8.715 8.988 -0.273 1
1 447 . 10 1 1 A 46 46 TYR HA H 46 4.483 4.214 0.269 1
1 454 . 10 1 1 A 46 46 TYR C C 46 175.453 178.579 -3.126 1
1 455 . 10 1 1 A 46 46 TYR CA C 46 59.464 60.224 -0.760 1
1 456 . 10 1 1 A 46 46 TYR CB C 46 38.753 38.207 0.546 1
1 458 . 10 1 1 A 46 46 TYR N N 46 125.588 121.528 4.060 1
1 459 . 10 1 1 A 47 47 GLY H H 47 8.387 8.605 -0.218 1
1 460 . 10 1 1 A 47 47 GLY HA2 H 47 3.561 4.003 -0.442 1
1 461 . 10 1 1 A 47 47 GLY HA3 H 47 4.348 4.008 0.340 1
1 462 . 10 1 1 A 47 47 GLY C C 47 173.578 174.382 -0.804 1
1 463 . 10 1 1 A 47 47 GLY CA C 47 44.965 47.389 -2.424 1
1 464 . 10 1 1 A 47 47 GLY N N 47 106.974 108.671 -1.697 1
1 465 . 10 1 1 A 48 48 SER H H 48 7.417 7.930 -0.513 1
1 466 . 10 1 1 A 48 48 SER HA H 48 4.428 4.975 -0.547 1
1 468 . 10 1 1 A 48 48 SER C C 48 173.220 173.908 -0.688 1
1 469 . 10 1 1 A 48 48 SER CA C 48 59.892 57.698 2.194 1
1 470 . 10 1 1 A 48 48 SER CB C 48 64.519 65.999 -1.480 1
1 471 . 10 1 1 A 48 48 SER N N 48 115.423 115.867 -0.444 1
1 472 . 10 1 1 A 49 49 THR H H 49 8.474 9.030 -0.556 1
1 473 . 10 1 1 A 49 49 THR HA H 49 4.660 5.011 -0.351 1
1 478 . 10 1 1 A 49 49 THR C C 49 175.940 175.799 0.141 1
1 479 . 10 1 1 A 49 49 THR CA C 49 58.831 59.756 -0.925 1
1 480 . 10 1 1 A 49 49 THR CB C 49 72.585 72.165 0.420 1
1 482 . 10 1 1 A 49 49 THR N N 49 112.103 112.974 -0.871 1
1 483 . 10 1 1 A 50 50 ALA H H 50 9.723 8.993 0.730 1
1 484 . 10 1 1 A 50 50 ALA HA H 50 3.923 4.054 -0.131 1
1 488 . 10 1 1 A 50 50 ALA C C 50 179.045 179.602 -0.557 1
1 489 . 10 1 1 A 50 50 ALA CA C 50 55.643 55.388 0.255 1
1 490 . 10 1 1 A 50 50 ALA CB C 50 18.259 18.047 0.212 1
1 491 . 10 1 1 A 50 50 ALA N N 50 123.988 123.991 -0.003 1
1 492 . 10 1 1 A 51 51 GLN H H 51 7.730 8.169 -0.439 1
1 493 . 10 1 1 A 51 51 GLN HA H 51 3.940 4.168 -0.228 1
1 500 . 10 1 1 A 51 51 GLN C C 51 178.215 177.811 0.404 1
1 501 . 10 1 1 A 51 51 GLN CA C 51 59.096 59.093 0.003 1
1 502 . 10 1 1 A 51 51 GLN CB C 51 28.508 28.083 0.425 1
1 504 . 10 1 1 A 51 51 GLN N N 51 116.375 118.254 -1.879 1
1 505 . 10 1 1 A 52 52 ASP H H 52 8.273 8.172 0.101 1
1 506 . 10 1 1 A 52 52 ASP HA H 52 4.587 4.537 0.050 1
1 507 . 10 1 1 A 52 52 ASP C C 52 179.837 179.261 0.576 1
1 508 . 10 1 1 A 52 52 ASP CA C 52 57.556 57.549 0.007 1
1 509 . 10 1 1 A 52 52 ASP CB C 52 41.057 40.607 0.450 1
1 510 . 10 1 1 A 52 52 ASP N N 52 120.755 119.626 1.129 1
1 511 . 10 1 1 A 53 53 LEU H H 53 7.855 8.084 -0.229 1
1 512 . 10 1 1 A 53 53 LEU HA H 53 3.933 4.197 -0.264 1
1 522 . 10 1 1 A 53 53 LEU C C 53 178.463 179.109 -0.646 1
1 523 . 10 1 1 A 53 53 LEU CA C 53 58.367 58.169 0.198 1
1 524 . 10 1 1 A 53 53 LEU CB C 53 42.646 41.086 1.560 1
1 528 . 10 1 1 A 53 53 LEU N N 53 122.035 121.472 0.563 1
1 529 . 10 1 1 A 54 54 GLU H H 54 8.804 8.640 0.164 1
1 530 . 10 1 1 A 54 54 GLU HA H 54 3.745 4.084 -0.339 1
1 534 . 10 1 1 A 54 54 GLU C C 54 178.467 178.843 -0.376 1
1 535 . 10 1 1 A 54 54 GLU CA C 54 59.833 59.217 0.616 1
1 536 . 10 1 1 A 54 54 GLU CB C 54 29.238 29.536 -0.298 1
1 538 . 10 1 1 A 54 54 GLU N N 54 120.472 118.176 2.296 1
1 539 . 10 1 1 A 55 55 ALA H H 55 8.098 7.966 0.132 1
1 540 . 10 1 1 A 55 55 ALA HA H 55 4.249 4.230 0.019 1
1 544 . 10 1 1 A 55 55 ALA C C 55 180.711 180.129 0.582 1
1 545 . 10 1 1 A 55 55 ALA CA C 55 55.077 55.140 -0.063 1
1 546 . 10 1 1 A 55 55 ALA CB C 55 18.164 18.808 -0.644 1
1 547 . 10 1 1 A 55 55 ALA N N 55 119.302 122.336 -3.034 1
1 548 . 10 1 1 A 56 56 HIS H H 56 7.927 7.716 0.211 1
1 549 . 10 1 1 A 56 56 HIS HA H 56 4.281 4.292 -0.011 1
1 553 . 10 1 1 A 56 56 HIS C C 56 176.342 177.192 -0.850 1
1 554 . 10 1 1 A 56 56 HIS CA C 56 59.362 59.431 -0.069 1
1 555 . 10 1 1 A 56 56 HIS CB C 56 31.200 29.789 1.411 1
1 556 . 10 1 1 A 56 56 HIS N N 56 117.016 118.067 -1.051 1
1 557 . 10 1 1 A 57 57 PHE H H 57 7.811 8.307 -0.496 1
1 558 . 10 1 1 A 57 57 PHE HA H 57 4.554 4.378 0.176 1
1 565 . 10 1 1 A 57 57 PHE C C 57 177.301 177.927 -0.626 1
1 566 . 10 1 1 A 57 57 PHE CA C 57 59.480 61.680 -2.200 1
1 567 . 10 1 1 A 57 57 PHE CB C 57 40.432 39.031 1.401 1
1 571 . 10 1 1 A 57 57 PHE N N 57 111.423 115.873 -4.450 1
1 572 . 10 1 1 A 58 58 SER H H 58 8.126 8.549 -0.423 1
1 573 . 10 1 1 A 58 58 SER HA H 58 4.468 4.726 -0.258 1
1 575 . 10 1 1 A 58 58 SER C C 58 176.676 176.728 -0.052 1
1 576 . 10 1 1 A 58 58 SER CA C 58 62.159 61.153 1.006 1
1 577 . 10 1 1 A 58 58 SER N N 58 118.439 116.342 2.097 1
1 578 . 10 1 1 A 59 59 SER H H 59 8.422 7.819 0.603 1
1 579 . 10 1 1 A 59 59 SER HA H 59 4.291 4.075 0.216 1
1 581 . 10 1 1 A 59 59 SER C C 59 175.955 175.826 0.129 1
1 582 . 10 1 1 A 59 59 SER CA C 59 60.277 61.401 -1.124 1
1 583 . 10 1 1 A 59 59 SER CB C 59 62.444 63.065 -0.621 1
1 584 . 10 1 1 A 59 59 SER N N 59 116.618 115.489 1.129 1
1 585 . 10 1 1 A 60 60 CYS H H 60 8.226 7.832 0.394 1
1 586 . 10 1 1 A 60 60 CYS HA H 60 4.067 4.421 -0.354 1
1 589 . 10 1 1 A 60 60 CYS C C 60 174.682 174.452 0.230 1
1 590 . 10 1 1 A 60 60 CYS CA C 60 60.683 59.740 0.943 1
1 591 . 10 1 1 A 60 60 CYS CB C 60 28.894 28.211 0.683 1
1 592 . 10 1 1 A 60 60 CYS N N 60 118.900 116.731 2.169 1
1 593 . 10 1 1 A 61 61 GLY H H 61 7.414 7.283 0.131 1
1 594 . 10 1 1 A 61 61 GLY HA2 H 61 3.887 4.071 -0.184 1
1 595 . 10 1 1 A 61 61 GLY HA3 H 61 4.489 4.110 0.379 1
1 596 . 10 1 1 A 61 61 GLY C C 61 171.619 172.237 -0.618 1
1 597 . 10 1 1 A 61 61 GLY CA C 61 44.000 45.017 -1.017 1
1 598 . 10 1 1 A 61 61 GLY N N 61 106.320 108.830 -2.510 1
1 599 . 10 1 1 A 62 62 SER H H 62 8.182 8.505 -0.323 1
1 600 . 10 1 1 A 62 62 SER HA H 62 4.420 5.157 -0.737 1
1 603 . 10 1 1 A 62 62 SER C C 62 175.295 174.286 1.009 1
1 604 . 10 1 1 A 62 62 SER CA C 62 59.839 58.564 1.275 1
1 605 . 10 1 1 A 62 62 SER CB C 62 63.617 63.993 -0.376 1
1 606 . 10 1 1 A 62 62 SER N N 62 112.485 117.232 -4.747 1
1 607 . 10 1 1 A 63 63 ILE H H 63 8.857 9.023 -0.166 1
1 608 . 10 1 1 A 63 63 ILE HA H 63 4.007 4.233 -0.226 1
1 618 . 10 1 1 A 63 63 ILE C C 63 175.045 175.820 -0.775 1
1 619 . 10 1 1 A 63 63 ILE CA C 63 61.979 61.350 0.629 1
1 620 . 10 1 1 A 63 63 ILE CB C 63 41.048 37.769 3.279 1
1 624 . 10 1 1 A 63 63 ILE N N 63 127.966 126.529 1.437 1
1 625 . 10 1 1 A 64 64 ASN H H 64 8.897 8.838 0.059 1
1 626 . 10 1 1 A 64 64 ASN HA H 64 4.667 4.910 -0.243 1
1 631 . 10 1 1 A 64 64 ASN C C 64 174.686 175.274 -0.588 1
1 632 . 10 1 1 A 64 64 ASN CA C 64 53.627 54.988 -1.361 1
1 633 . 10 1 1 A 64 64 ASN CB C 64 40.062 40.474 -0.412 1
1 634 . 10 1 1 A 64 64 ASN N N 64 124.997 126.803 -1.806 1
1 636 . 10 1 1 A 65 65 ARG H H 65 7.419 7.446 -0.027 1
1 637 . 10 1 1 A 65 65 ARG HA H 65 5.155 4.719 0.436 1
1 645 . 10 1 1 A 65 65 ARG C C 65 173.788 174.224 -0.436 1
1 646 . 10 1 1 A 65 65 ARG CA C 65 55.703 55.431 0.272 1
1 647 . 10 1 1 A 65 65 ARG CB C 65 35.408 33.589 1.819 1
1 650 . 10 1 1 A 65 65 ARG N N 65 116.737 117.672 -0.935 1
1 652 . 10 1 1 A 66 66 ILE H H 66 8.681 8.589 0.092 1
1 653 . 10 1 1 A 66 66 ILE HA H 66 4.574 5.018 -0.444 1
1 663 . 10 1 1 A 66 66 ILE C C 66 173.717 174.334 -0.617 1
1 664 . 10 1 1 A 66 66 ILE CA C 66 61.049 59.065 1.984 1
1 665 . 10 1 1 A 66 66 ILE CB C 66 42.988 42.286 0.702 1
1 669 . 10 1 1 A 66 66 ILE N N 66 123.359 119.632 3.727 1
1 670 . 10 1 1 A 67 67 THR H H 67 8.861 8.682 0.179 1
1 671 . 10 1 1 A 67 67 THR HA H 67 5.378 5.023 0.355 1
1 676 . 10 1 1 A 67 67 THR C C 67 173.526 173.493 0.033 1
1 677 . 10 1 1 A 67 67 THR CA C 67 61.112 61.911 -0.799 1
1 678 . 10 1 1 A 67 67 THR CB C 67 70.857 70.596 0.261 1
1 680 . 10 1 1 A 67 67 THR N N 67 124.375 118.486 5.889 1
1 681 . 10 1 1 A 68 68 ILE H H 68 9.768 9.141 0.627 1
1 682 . 10 1 1 A 68 68 ILE HA H 68 4.333 4.757 -0.424 1
1 692 . 10 1 1 A 68 68 ILE C C 68 173.743 174.915 -1.172 1
1 693 . 10 1 1 A 68 68 ILE CA C 68 61.237 59.614 1.623 1
1 694 . 10 1 1 A 68 68 ILE CB C 68 40.908 40.350 0.558 1
1 698 . 10 1 1 A 68 68 ILE N N 68 127.340 128.712 -1.372 1
1 699 . 10 1 1 A 69 69 LEU H H 69 9.045 9.272 -0.227 1
1 700 . 10 1 1 A 69 69 LEU HA H 69 5.074 5.015 0.059 1
1 710 . 10 1 1 A 69 69 LEU C C 69 175.502 175.034 0.468 1
1 711 . 10 1 1 A 69 69 LEU CA C 69 55.186 52.838 2.348 1
1 712 . 10 1 1 A 69 69 LEU CB C 69 42.702 44.488 -1.786 1
1 716 . 10 1 1 A 69 69 LEU N N 69 128.686 125.208 3.478 1
1 717 . 10 1 1 A 70 70 CYS H H 70 8.767 8.743 0.024 1
1 718 . 10 1 1 A 70 70 CYS HA H 70 5.237 5.406 -0.169 1
1 720 . 10 1 1 A 70 70 CYS C C 70 173.558 172.366 1.192 1
1 721 . 10 1 1 A 70 70 CYS CA C 70 57.609 56.802 0.807 1
1 722 . 10 1 1 A 70 70 CYS CB C 70 29.830 28.667 1.163 1
1 723 . 10 1 1 A 70 70 CYS N N 70 120.856 121.521 -0.665 1
1 724 . 10 1 1 A 71 71 ASP H H 71 9.109 9.081 0.028 1
1 725 . 10 1 1 A 71 71 ASP HA H 71 5.193 4.886 0.307 1
1 728 . 10 1 1 A 71 71 ASP C C 71 175.440 176.372 -0.932 1
1 729 . 10 1 1 A 71 71 ASP CA C 71 53.705 52.965 0.740 1
1 730 . 10 1 1 A 71 71 ASP CB C 71 44.774 42.560 2.214 1
1 731 . 10 1 1 A 71 71 ASP N N 71 124.936 127.496 -2.560 1
1 732 . 10 1 1 A 72 72 LYS H H 72 8.262 8.768 -0.506 1
1 733 . 10 1 1 A 72 72 LYS HA H 72 4.553 4.646 -0.093 1
1 740 . 10 1 1 A 72 72 LYS C C 72 177.732 177.765 -0.033 1
1 741 . 10 1 1 A 72 72 LYS CA C 72 55.608 55.741 -0.133 1
1 742 . 10 1 1 A 72 72 LYS CB C 72 32.469 32.984 -0.515 1
1 745 . 10 1 1 A 72 72 LYS N N 72 120.339 128.156 -7.817 1
1 746 . 10 1 1 A 73 73 PHE H H 73 8.663 7.788 0.875 1
1 747 . 10 1 1 A 73 73 PHE HA H 73 4.357 4.348 0.009 1
1 752 . 10 1 1 A 73 73 PHE C C 73 177.148 177.348 -0.200 1
1 753 . 10 1 1 A 73 73 PHE CA C 73 60.214 61.226 -1.012 1
1 754 . 10 1 1 A 73 73 PHE CB C 73 39.157 37.955 1.202 1
1 756 . 10 1 1 A 73 73 PHE N N 73 121.961 120.393 1.568 1
1 757 . 10 1 1 A 74 74 SER H H 74 8.780 7.831 0.949 1
1 758 . 10 1 1 A 74 74 SER HA H 74 4.353 4.598 -0.245 1
1 760 . 10 1 1 A 74 74 SER C C 74 174.810 174.420 0.390 1
1 761 . 10 1 1 A 74 74 SER CA C 74 58.965 58.845 0.120 1
1 762 . 10 1 1 A 74 74 SER CB C 74 63.650 63.527 0.123 1
1 763 . 10 1 1 A 74 74 SER N N 74 114.021 113.733 0.288 1
1 764 . 10 1 1 A 75 75 GLY H H 75 8.004 8.305 -0.301 1
1 765 . 10 1 1 A 75 75 GLY HA2 H 75 3.635 3.909 -0.274 1
1 766 . 10 1 1 A 75 75 GLY HA3 H 75 4.221 3.944 0.277 1
1 767 . 10 1 1 A 75 75 GLY C C 75 173.254 174.022 -0.768 1
1 768 . 10 1 1 A 75 75 GLY CA C 75 45.162 45.309 -0.147 1
1 769 . 10 1 1 A 75 75 GLY N N 75 108.714 108.898 -0.184 1
1 770 . 10 1 1 A 76 76 HIS H H 76 7.670 7.987 -0.317 1
1 771 . 10 1 1 A 76 76 HIS HA H 76 5.020 4.760 0.260 1
1 775 . 10 1 1 A 76 76 HIS CA C 76 52.522 54.055 -1.533 1
1 776 . 10 1 1 A 76 76 HIS CB C 76 29.410 30.665 -1.255 1
1 777 . 10 1 1 A 76 76 HIS N N 76 118.164 119.275 -1.111 1
1 778 . 10 1 1 A 77 77 PRO HA H 77 4.551 4.650 -0.099 1
1 784 . 10 1 1 A 77 77 PRO C C 77 176.458 176.274 0.184 1
1 785 . 10 1 1 A 77 77 PRO CA C 77 63.263 63.180 0.083 1
1 786 . 10 1 1 A 77 77 PRO CB C 77 32.077 32.000 0.077 1
1 789 . 10 1 1 A 78 78 LYS H H 78 8.846 9.158 -0.312 1
1 790 . 10 1 1 A 78 78 LYS HA H 78 4.772 5.203 -0.431 1
1 796 . 10 1 1 A 78 78 LYS CA C 78 55.964 55.269 0.695 1
1 797 . 10 1 1 A 78 78 LYS CB C 78 35.816 34.781 1.035 1
1 799 . 10 1 1 A 78 78 LYS N N 78 124.197 122.978 1.219 1
1 800 . 10 1 1 A 79 79 GLY H H 79 8.352 8.724 -0.372 1
1 801 . 10 1 1 A 79 79 GLY HA2 H 79 3.871 4.224 -0.353 1
1 802 . 10 1 1 A 79 79 GLY HA3 H 79 5.451 4.237 1.214 1
1 803 . 10 1 1 A 79 79 GLY C C 79 173.400 172.473 0.927 1
1 804 . 10 1 1 A 79 79 GLY CA C 79 45.189 44.076 1.113 1
1 805 . 10 1 1 A 79 79 GLY N N 79 109.568 109.901 -0.333 1
1 806 . 10 1 1 A 80 80 TYR H H 80 8.856 8.750 0.106 1
1 807 . 10 1 1 A 80 80 TYR HA H 80 4.940 5.198 -0.258 1
1 814 . 10 1 1 A 80 80 TYR C C 80 171.720 172.853 -1.133 1
1 815 . 10 1 1 A 80 80 TYR CA C 80 56.267 56.517 -0.250 1
1 816 . 10 1 1 A 80 80 TYR CB C 80 40.003 41.397 -1.394 1
1 818 . 10 1 1 A 80 80 TYR N N 80 120.052 117.615 2.437 1
1 819 . 10 1 1 A 81 81 ALA H H 81 9.215 9.086 0.129 1
1 820 . 10 1 1 A 81 81 ALA HA H 81 5.386 5.339 0.047 1
1 824 . 10 1 1 A 81 81 ALA C C 81 175.357 175.123 0.234 1
1 825 . 10 1 1 A 81 81 ALA CA C 81 50.089 50.493 -0.404 1
1 826 . 10 1 1 A 81 81 ALA CB C 81 24.030 23.606 0.424 1
1 827 . 10 1 1 A 81 81 ALA N N 81 120.138 121.902 -1.764 1
1 828 . 10 1 1 A 82 82 TYR H H 82 8.974 9.296 -0.322 1
1 829 . 10 1 1 A 82 82 TYR HA H 82 5.885 5.413 0.472 1
1 836 . 10 1 1 A 82 82 TYR C C 82 176.232 174.464 1.768 1
1 837 . 10 1 1 A 82 82 TYR CA C 82 55.626 56.662 -1.036 1
1 838 . 10 1 1 A 82 82 TYR CB C 82 41.536 40.407 1.129 1
1 839 . 10 1 1 A 82 82 TYR N N 82 114.621 118.285 -3.664 1
1 840 . 10 1 1 A 83 83 ILE H H 83 8.644 8.600 0.044 1
1 841 . 10 1 1 A 83 83 ILE HA H 83 4.275 4.398 -0.123 1
1 851 . 10 1 1 A 83 83 ILE C C 83 173.516 174.718 -1.202 1
1 852 . 10 1 1 A 83 83 ILE CA C 83 60.345 59.862 0.483 1
1 853 . 10 1 1 A 83 83 ILE CB C 83 39.535 38.309 1.226 1
1 857 . 10 1 1 A 83 83 ILE N N 83 122.447 124.714 -2.267 1
1 858 . 10 1 1 A 84 84 GLU H H 84 8.612 8.786 -0.174 1
1 859 . 10 1 1 A 84 84 GLU HA H 84 4.801 4.783 0.018 1
1 862 . 10 1 1 A 84 84 GLU C C 84 176.111 175.463 0.648 1
1 863 . 10 1 1 A 84 84 GLU CA C 84 54.496 55.020 -0.524 1
1 864 . 10 1 1 A 84 84 GLU CB C 84 31.499 31.256 0.243 1
1 865 . 10 1 1 A 84 84 GLU N N 84 127.346 127.195 0.151 1
1 866 . 10 1 1 A 85 85 PHE H H 85 9.087 8.933 0.154 1
1 867 . 10 1 1 A 85 85 PHE HA H 85 4.817 4.912 -0.095 1
1 875 . 10 1 1 A 85 85 PHE C C 85 174.422 176.461 -2.039 1
1 876 . 10 1 1 A 85 85 PHE CA C 85 59.072 57.500 1.572 1
1 877 . 10 1 1 A 85 85 PHE CB C 85 40.765 41.391 -0.626 1
1 878 . 10 1 1 A 85 85 PHE N N 85 128.049 123.351 4.698 1
1 879 . 10 1 1 A 86 86 ALA H H 86 8.192 9.295 -1.103 1
1 880 . 10 1 1 A 86 86 ALA HA H 86 4.239 4.264 -0.025 1
1 884 . 10 1 1 A 86 86 ALA C C 86 178.143 177.398 0.745 1
1 885 . 10 1 1 A 86 86 ALA CA C 86 54.524 54.292 0.232 1
1 886 . 10 1 1 A 86 86 ALA CB C 86 19.510 19.801 -0.291 1
1 887 . 10 1 1 A 86 86 ALA N N 86 120.669 122.692 -2.023 1
1 888 . 10 1 1 A 87 87 GLU H H 87 8.455 8.175 0.280 1
1 889 . 10 1 1 A 87 87 GLU HA H 87 4.765 4.805 -0.040 1
1 893 . 10 1 1 A 87 87 GLU C C 87 176.472 176.704 -0.232 1
1 894 . 10 1 1 A 87 87 GLU CA C 87 54.353 55.079 -0.726 1
1 895 . 10 1 1 A 87 87 GLU CB C 87 32.624 33.059 -0.435 1
1 897 . 10 1 1 A 87 87 GLU N N 87 114.204 116.607 -2.403 1
1 898 . 10 1 1 A 88 88 ARG H H 88 8.917 9.032 -0.115 1
1 899 . 10 1 1 A 88 88 ARG HA H 88 3.961 3.944 0.017 1
1 905 . 10 1 1 A 88 88 ARG C C 88 178.900 178.391 0.509 1
1 906 . 10 1 1 A 88 88 ARG CA C 88 59.548 59.841 -0.293 1
1 907 . 10 1 1 A 88 88 ARG CB C 88 30.073 29.833 0.240 1
1 910 . 10 1 1 A 88 88 ARG N N 88 121.592 123.631 -2.039 1
1 911 . 10 1 1 A 89 89 ASN H H 89 8.845 8.083 0.762 1
1 912 . 10 1 1 A 89 89 ASN HA H 89 4.497 4.417 0.080 1
1 916 . 10 1 1 A 89 89 ASN C C 89 177.179 177.695 -0.516 1
1 917 . 10 1 1 A 89 89 ASN CA C 89 55.861 56.182 -0.321 1
1 918 . 10 1 1 A 89 89 ASN CB C 89 37.330 37.995 -0.665 1
1 919 . 10 1 1 A 89 89 ASN N N 89 116.555 118.279 -1.724 1
1 921 . 10 1 1 A 90 90 SER H H 90 7.513 7.987 -0.474 1
1 922 . 10 1 1 A 90 90 SER HA H 90 4.006 4.406 -0.400 1
1 925 . 10 1 1 A 90 90 SER C C 90 174.511 175.846 -1.335 1
1 926 . 10 1 1 A 90 90 SER CA C 90 61.395 62.306 -0.911 1
1 927 . 10 1 1 A 90 90 SER CB C 90 63.424 62.592 0.832 1
1 928 . 10 1 1 A 90 90 SER N N 90 116.007 116.340 -0.333 1
1 929 . 10 1 1 A 91 91 VAL H H 91 7.653 7.712 -0.059 1
1 930 . 10 1 1 A 91 91 VAL HA H 91 3.201 3.595 -0.394 1
1 938 . 10 1 1 A 91 91 VAL C C 91 176.991 177.616 -0.625 1
1 939 . 10 1 1 A 91 91 VAL CA C 91 66.851 65.316 1.535 1
1 940 . 10 1 1 A 91 91 VAL CB C 91 31.599 31.585 0.014 1
1 943 . 10 1 1 A 91 91 VAL N N 91 119.934 118.879 1.055 1
1 944 . 10 1 1 A 92 92 ASP H H 92 7.192 8.246 -1.054 1
1 945 . 10 1 1 A 92 92 ASP HA H 92 4.321 4.284 0.037 1
1 947 . 10 1 1 A 92 92 ASP C C 92 178.585 177.881 0.704 1
1 948 . 10 1 1 A 92 92 ASP CA C 92 57.401 57.492 -0.091 1
1 949 . 10 1 1 A 92 92 ASP CB C 92 40.078 42.056 -1.978 1
1 950 . 10 1 1 A 92 92 ASP N N 92 117.084 121.476 -4.392 1
1 951 . 10 1 1 A 93 93 ALA H H 93 6.946 7.785 -0.839 1
1 952 . 10 1 1 A 93 93 ALA HA H 93 4.186 4.173 0.013 1
1 956 . 10 1 1 A 93 93 ALA C C 93 179.272 179.720 -0.448 1
1 957 . 10 1 1 A 93 93 ALA CA C 93 54.445 54.736 -0.291 1
1 958 . 10 1 1 A 93 93 ALA CB C 93 18.164 18.232 -0.068 1
1 959 . 10 1 1 A 93 93 ALA N N 93 121.045 120.759 0.286 1
1 960 . 10 1 1 A 94 94 ALA H H 94 8.033 7.966 0.067 1
1 961 . 10 1 1 A 94 94 ALA HA H 94 4.545 4.177 0.368 1
1 965 . 10 1 1 A 94 94 ALA C C 94 180.529 179.511 1.018 1
1 966 . 10 1 1 A 94 94 ALA CA C 94 55.518 55.169 0.349 1
1 967 . 10 1 1 A 94 94 ALA CB C 94 19.455 18.607 0.848 1
1 968 . 10 1 1 A 94 94 ALA N N 94 122.191 120.974 1.217 1
1 969 . 10 1 1 A 95 95 VAL H H 95 8.565 8.650 -0.085 1
1 970 . 10 1 1 A 95 95 VAL HA H 95 3.741 3.895 -0.154 1
1 978 . 10 1 1 A 95 95 VAL C C 95 178.767 177.933 0.834 1
1 979 . 10 1 1 A 95 95 VAL CA C 95 65.820 64.805 1.015 1
1 980 . 10 1 1 A 95 95 VAL CB C 95 31.501 31.422 0.079 1
1 983 . 10 1 1 A 95 95 VAL N N 95 117.405 116.453 0.952 1
1 984 . 10 1 1 A 96 96 ALA H H 96 7.354 7.980 -0.626 1
1 985 . 10 1 1 A 96 96 ALA HA H 96 4.403 4.200 0.203 1
1 989 . 10 1 1 A 96 96 ALA C C 96 178.242 178.193 0.049 1
1 990 . 10 1 1 A 96 96 ALA CA C 96 53.916 53.972 -0.056 1
1 991 . 10 1 1 A 96 96 ALA CB C 96 17.841 18.294 -0.453 1
1 992 . 10 1 1 A 96 96 ALA N N 96 122.769 123.728 -0.959 1
1 993 . 10 1 1 A 97 97 MET H H 97 7.980 8.083 -0.103 1
1 994 . 10 1 1 A 97 97 MET HA H 97 4.471 4.855 -0.384 1
1 1002 . 10 1 1 A 97 97 MET C C 97 175.959 176.399 -0.440 1
1 1003 . 10 1 1 A 97 97 MET CA C 97 55.150 54.651 0.499 1
1 1004 . 10 1 1 A 97 97 MET CB C 97 31.663 32.598 -0.935 1
1 1007 . 10 1 1 A 97 97 MET N N 97 115.573 116.158 -0.585 1
1 1008 . 10 1 1 A 98 98 ASP H H 98 7.852 8.301 -0.449 1
1 1009 . 10 1 1 A 98 98 ASP HA H 98 4.422 4.391 0.031 1
1 1012 . 10 1 1 A 98 98 ASP C C 98 175.976 177.193 -1.217 1
1 1013 . 10 1 1 A 98 98 ASP CA C 98 57.476 57.163 0.313 1
1 1014 . 10 1 1 A 98 98 ASP CB C 98 42.008 40.594 1.414 1
1 1015 . 10 1 1 A 98 98 ASP N N 98 121.576 120.903 0.673 1
1 1016 . 10 1 1 A 99 99 GLU H H 99 8.643 7.674 0.969 1
1 1017 . 10 1 1 A 99 99 GLU HA H 99 4.154 4.503 -0.349 1
1 1022 . 10 1 1 A 99 99 GLU C C 99 176.369 175.745 0.624 1
1 1023 . 10 1 1 A 99 99 GLU CA C 99 58.403 55.618 2.785 1
1 1024 . 10 1 1 A 99 99 GLU CB C 99 26.214 30.014 -3.800 1
1 1026 . 10 1 1 A 99 99 GLU N N 99 119.455 118.313 1.142 1
1 1027 . 10 1 1 A 100 100 THR H H 100 7.416 7.606 -0.190 1
1 1028 . 10 1 1 A 100 100 THR HA H 100 4.498 4.508 -0.010 1
1 1033 . 10 1 1 A 100 100 THR C C 100 172.876 174.153 -1.277 1
1 1034 . 10 1 1 A 100 100 THR CA C 100 61.065 60.902 0.163 1
1 1035 . 10 1 1 A 100 100 THR CB C 100 72.140 71.362 0.778 1
1 1037 . 10 1 1 A 100 100 THR N N 100 107.670 112.775 -5.105 1
1 1038 . 10 1 1 A 101 101 VAL H H 101 8.252 8.429 -0.177 1
1 1039 . 10 1 1 A 101 101 VAL HA H 101 4.638 4.847 -0.209 1
1 1047 . 10 1 1 A 101 101 VAL C C 101 176.138 174.026 2.112 1
1 1048 . 10 1 1 A 101 101 VAL CA C 101 62.299 59.912 2.387 1
1 1049 . 10 1 1 A 101 101 VAL CB C 101 32.215 34.181 -1.966 1
1 1052 . 10 1 1 A 101 101 VAL N N 101 118.227 121.892 -3.665 1
1 1053 . 10 1 1 A 102 102 PHE H H 102 9.300 9.537 -0.237 1
1 1054 . 10 1 1 A 102 102 PHE HA H 102 4.671 4.708 -0.037 1
1 1061 . 10 1 1 A 102 102 PHE C C 102 174.216 174.817 -0.601 1
1 1062 . 10 1 1 A 102 102 PHE CA C 102 56.205 57.286 -1.081 1
1 1063 . 10 1 1 A 102 102 PHE CB C 102 41.707 41.672 0.035 1
1 1064 . 10 1 1 A 102 102 PHE N N 102 128.863 129.634 -0.771 1
1 1065 . 10 1 1 A 103 103 ARG H H 103 9.167 9.191 -0.024 1
1 1066 . 10 1 1 A 103 103 ARG HA H 103 3.389 3.754 -0.365 1
1 1075 . 10 1 1 A 103 103 ARG C C 103 176.014 176.068 -0.054 1
1 1076 . 10 1 1 A 103 103 ARG CA C 103 57.215 56.813 0.402 1
1 1077 . 10 1 1 A 103 103 ARG CB C 103 27.382 27.726 -0.344 1
1 1080 . 10 1 1 A 103 103 ARG N N 103 128.268 127.455 0.813 1
1 1082 . 10 1 1 A 104 104 GLY H H 104 8.005 8.262 -0.257 1
1 1083 . 10 1 1 A 104 104 GLY HA2 H 104 4.006 3.920 0.086 1
1 1084 . 10 1 1 A 104 104 GLY HA3 H 104 3.455 3.924 -0.469 1
1 1085 . 10 1 1 A 104 104 GLY C C 104 173.766 173.617 0.149 1
1 1086 . 10 1 1 A 104 104 GLY CA C 104 45.598 45.082 0.516 1
1 1087 . 10 1 1 A 104 104 GLY N N 104 101.324 105.387 -4.063 1
1 1088 . 10 1 1 A 105 105 ARG H H 105 7.681 7.872 -0.191 1
1 1089 . 10 1 1 A 105 105 ARG HA H 105 4.735 4.982 -0.247 1
1 1097 . 10 1 1 A 105 105 ARG C C 105 174.543 174.754 -0.211 1
1 1098 . 10 1 1 A 105 105 ARG CA C 105 54.071 54.445 -0.374 1
1 1099 . 10 1 1 A 105 105 ARG CB C 105 33.159 32.968 0.191 1
1 1102 . 10 1 1 A 105 105 ARG N N 105 119.837 116.682 3.155 1
1 1104 . 10 1 1 A 106 106 THR H H 106 8.604 8.784 -0.180 1
1 1105 . 10 1 1 A 106 106 THR HA H 106 4.593 4.656 -0.063 1
1 1110 . 10 1 1 A 106 106 THR C C 106 175.643 174.303 1.340 1
1 1111 . 10 1 1 A 106 106 THR CA C 106 62.821 63.904 -1.083 1
1 1112 . 10 1 1 A 106 106 THR CB C 106 68.784 68.638 0.146 1
1 1114 . 10 1 1 A 106 106 THR N N 106 118.251 118.359 -0.108 1
1 1115 . 10 1 1 A 107 107 ILE H H 107 8.756 8.744 0.012 1
1 1116 . 10 1 1 A 107 107 ILE HA H 107 4.884 5.049 -0.165 1
1 1126 . 10 1 1 A 107 107 ILE C C 107 174.877 173.907 0.970 1
1 1127 . 10 1 1 A 107 107 ILE CA C 107 60.834 59.120 1.714 1
1 1128 . 10 1 1 A 107 107 ILE CB C 107 40.644 40.516 0.128 1
1 1132 . 10 1 1 A 107 107 ILE N N 107 123.422 123.620 -0.198 1
1 1133 . 10 1 1 A 108 108 LYS H H 108 7.412 8.724 -1.312 1
1 1134 . 10 1 1 A 108 108 LYS HA H 108 5.524 5.362 0.162 1
1 1141 . 10 1 1 A 108 108 LYS C C 108 175.839 175.048 0.791 1
1 1142 . 10 1 1 A 108 108 LYS CA C 108 52.172 54.640 -2.468 1
1 1143 . 10 1 1 A 108 108 LYS CB C 108 33.947 35.210 -1.263 1
1 1147 . 10 1 1 A 108 108 LYS N N 108 121.402 122.570 -1.168 1
1 1148 . 10 1 1 A 109 109 VAL H H 109 9.467 8.484 0.983 1
1 1149 . 10 1 1 A 109 109 VAL HA H 109 5.410 5.613 -0.203 1
1 1157 . 10 1 1 A 109 109 VAL C C 109 174.514 175.018 -0.504 1
1 1158 . 10 1 1 A 109 109 VAL CA C 109 61.258 61.092 0.166 1
1 1159 . 10 1 1 A 109 109 VAL CB C 109 34.289 34.421 -0.132 1
1 1162 . 10 1 1 A 109 109 VAL N N 109 125.530 126.189 -0.659 1
1 1163 . 10 1 1 A 110 110 LEU H H 110 9.081 8.852 0.229 1
1 1164 . 10 1 1 A 110 110 LEU HA H 110 5.109 5.009 0.100 1
1 1173 . 10 1 1 A 110 110 LEU CA C 110 51.660 50.915 0.745 1
1 1174 . 10 1 1 A 110 110 LEU CB C 110 46.037 44.548 1.489 1
1 1178 . 10 1 1 A 110 110 LEU N N 110 125.323 125.196 0.127 1
1 1179 . 10 1 1 A 111 111 PRO HA H 111 4.539 4.707 -0.168 1
1 1186 . 10 1 1 A 111 111 PRO C C 111 176.222 176.204 0.018 1
1 1187 . 10 1 1 A 111 111 PRO CA C 111 63.390 62.605 0.785 1
1 1188 . 10 1 1 A 111 111 PRO CB C 111 31.697 32.396 -0.699 1
1 1191 . 10 1 1 A 112 112 LYS H H 112 8.121 8.699 -0.578 1
1 1192 . 10 1 1 A 112 112 LYS HA H 112 4.113 4.722 -0.609 1
1 1199 . 10 1 1 A 112 112 LYS C C 112 175.830 175.328 0.502 1
1 1200 . 10 1 1 A 112 112 LYS CA C 112 58.405 56.112 2.293 1
1 1201 . 10 1 1 A 112 112 LYS CB C 112 33.746 33.188 0.558 1
1 1204 . 10 1 1 A 112 112 LYS N N 112 124.317 121.878 2.439 1
1 1205 . 10 1 1 A 113 113 ARG H H 113 8.228 8.839 -0.611 1
1 1206 . 10 1 1 A 113 113 ARG HA H 113 4.451 5.422 -0.971 1
1 1211 . 10 1 1 A 113 113 ARG C C 113 175.758 174.984 0.774 1
1 1212 . 10 1 1 A 113 113 ARG CA C 113 55.468 54.449 1.019 1
1 1213 . 10 1 1 A 113 113 ARG CB C 113 31.550 34.056 -2.506 1
1 1215 . 10 1 1 A 113 113 ARG N N 113 121.228 124.699 -3.471 1
1 1216 . 10 1 1 A 114 114 THR H H 114 8.138 9.003 -0.865 1
1 1217 . 10 1 1 A 114 114 THR HA H 114 4.264 4.730 -0.466 1
1 1222 . 10 1 1 A 114 114 THR C C 114 174.043 173.172 0.871 1
1 1223 . 10 1 1 A 114 114 THR CA C 114 62.229 59.611 2.618 1
1 1224 . 10 1 1 A 114 114 THR CB C 114 69.682 71.060 -1.378 1
1 1226 . 10 1 1 A 114 114 THR N N 114 116.384 119.089 -2.705 1
1 1227 . 10 1 1 A 115 115 ASN H H 115 8.406 8.555 -0.149 1
1 1228 . 10 1 1 A 115 115 ASN HA H 115 4.682 4.558 0.124 1
1 1233 . 10 1 1 A 115 115 ASN C C 115 174.513 176.037 -1.524 1
1 1234 . 10 1 1 A 115 115 ASN CA C 115 53.242 54.028 -0.786 1
1 1235 . 10 1 1 A 115 115 ASN CB C 115 38.888 39.026 -0.138 1
1 1236 . 10 1 1 A 115 115 ASN N N 115 120.871 121.800 -0.929 1
1 1238 . 10 1 1 A 116 116 MET H H 116 8.138 8.734 -0.596 1
1 1239 . 10 1 1 A 116 116 MET CA C 116 53.400 55.195 -1.795 1
1 1240 . 10 1 1 A 116 116 MET CB C 116 32.829 32.377 0.452 1
1 1241 . 10 1 1 A 116 116 MET N N 116 121.611 120.480 1.131 1
1 1242 . 10 1 1 A 117 117 PRO HA H 117 4.428 4.293 0.135 1
1 1245 . 10 1 1 A 117 117 PRO C C 117 175.935 177.365 -1.430 1
1 1246 . 10 1 1 A 117 117 PRO CA C 117 63.489 63.899 -0.410 1
1 1247 . 10 1 1 A 117 117 PRO CB C 117 32.105 31.289 0.816 1
1 1248 . 10 1 1 A 118 118 GLY H H 118 8.411 8.795 -0.384 1
1 1249 . 10 1 1 A 118 118 GLY HA2 H 118 3.927 4.081 -0.154 1
1 1250 . 10 1 1 A 118 118 GLY HA3 H 118 4.389 4.081 0.308 1
1 1251 . 10 1 1 A 118 118 GLY C C 118 174.117 174.534 -0.417 1
1 1252 . 10 1 1 A 118 118 GLY CA C 118 45.470 45.394 0.076 1
1 1253 . 10 1 1 A 118 118 GLY N N 118 109.241 112.863 -3.622 1
1 1254 . 10 1 1 A 119 119 ILE H H 119 7.825 8.220 -0.395 1
1 1255 . 10 1 1 A 119 119 ILE HA H 119 4.234 3.917 0.317 1
1 1265 . 10 1 1 A 119 119 ILE C C 119 176.261 174.725 1.536 1
1 1266 . 10 1 1 A 119 119 ILE CA C 119 61.029 61.831 -0.802 1
1 1267 . 10 1 1 A 119 119 ILE CB C 119 38.878 36.503 2.375 1
1 1270 . 10 1 1 A 119 119 ILE N N 119 119.504 116.038 3.466 1
1 1271 . 10 1 1 A 120 120 SER H H 120 8.397 8.344 0.053 1
1 1272 . 10 1 1 A 120 120 SER HA H 120 4.534 4.679 -0.145 1
1 1274 . 10 1 1 A 120 120 SER C C 120 174.692 174.109 0.583 1
1 1275 . 10 1 1 A 120 120 SER CA C 120 58.150 56.999 1.151 1
1 1276 . 10 1 1 A 120 120 SER CB C 120 63.997 62.897 1.100 1
1 1277 . 10 1 1 A 120 120 SER N N 120 119.359 120.452 -1.093 1
1 1278 . 10 1 1 A 121 121 SER H H 121 8.371 8.038 0.333 1
1 1279 . 10 1 1 A 121 121 SER HA H 121 4.360 4.419 -0.059 1
1 1280 . 10 1 1 A 121 121 SER C C 121 174.809 174.097 0.712 1
1 1281 . 10 1 1 A 121 121 SER CA C 121 58.656 58.702 -0.046 1
1 1282 . 10 1 1 A 121 121 SER CB C 121 63.795 63.595 0.200 1
1 1283 . 10 1 1 A 121 121 SER N N 121 118.036 121.451 -3.415 1
1 1284 . 10 1 1 A 122 122 THR H H 122 8.100 8.657 -0.557 1
1 1285 . 10 1 1 A 122 122 THR C C 122 174.254 174.027 0.227 1
1 1286 . 10 1 1 A 122 122 THR CA C 122 61.829 63.363 -1.534 1
1 1287 . 10 1 1 A 122 122 THR CB C 122 69.537 68.675 0.862 1
1 1288 . 10 1 1 A 122 122 THR N N 122 114.163 116.390 -2.227 1
1 1289 . 10 1 1 A 123 123 ASP H H 123 8.197 7.569 0.628 1
1 1290 . 10 1 1 A 123 123 ASP HA H 123 4.641 4.801 -0.160 1
1 1292 . 10 1 1 A 123 123 ASP C C 123 174.975 175.267 -0.292 1
1 1293 . 10 1 1 A 123 123 ASP CA C 123 54.542 55.597 -1.055 1
1 1294 . 10 1 1 A 123 123 ASP CB C 123 41.144 42.761 -1.617 1
1 1295 . 10 1 1 A 123 123 ASP N N 123 122.772 119.940 2.832 1
1 8 . 11 1 1 A 2 2 ILE H H 2 8.420 8.617 -0.197 1
1 9 . 11 1 1 A 2 2 ILE HA H 2 4.219 4.452 -0.233 1
1 11 . 11 1 1 A 2 2 ILE C C 2 175.424 174.995 0.429 1
1 12 . 11 1 1 A 2 2 ILE CA C 2 61.022 60.921 0.101 1
1 13 . 11 1 1 A 2 2 ILE CB C 2 38.918 37.217 1.701 1
1 14 . 11 1 1 A 2 2 ILE N N 2 120.314 120.694 -0.380 1
1 15 . 11 1 1 A 3 3 ALA H H 3 8.374 8.874 -0.500 1
1 16 . 11 1 1 A 3 3 ALA CA C 3 50.509 48.467 2.042 1
1 17 . 11 1 1 A 3 3 ALA CB C 3 18.608 21.411 -2.803 1
1 18 . 11 1 1 A 3 3 ALA N N 3 129.874 130.372 -0.498 1
1 19 . 11 1 1 A 4 4 PRO HA H 4 4.446 4.619 -0.173 1
1 22 . 11 1 1 A 4 4 PRO C C 4 176.949 176.301 0.648 1
1 23 . 11 1 1 A 4 4 PRO CA C 4 63.456 62.505 0.951 1
1 24 . 11 1 1 A 4 4 PRO CB C 4 32.203 32.469 -0.266 1
1 25 . 11 1 1 A 5 5 CYS H H 5 8.347 8.495 -0.148 1
1 26 . 11 1 1 A 5 5 CYS HA H 5 4.492 4.567 -0.075 1
1 28 . 11 1 1 A 5 5 CYS C C 5 174.805 173.353 1.452 1
1 29 . 11 1 1 A 5 5 CYS CA C 5 58.495 58.299 0.196 1
1 30 . 11 1 1 A 5 5 CYS CB C 5 27.957 27.394 0.563 1
1 31 . 11 1 1 A 5 5 CYS N N 5 118.477 121.429 -2.952 1
1 32 . 11 1 1 A 6 6 MET H H 6 8.421 8.217 0.204 1
1 33 . 11 1 1 A 6 6 MET HA H 6 4.534 4.859 -0.325 1
1 35 . 11 1 1 A 6 6 MET C C 6 176.132 175.559 0.573 1
1 36 . 11 1 1 A 6 6 MET CA C 6 55.629 53.836 1.793 1
1 37 . 11 1 1 A 6 6 MET CB C 6 33.048 32.764 0.284 1
1 38 . 11 1 1 A 6 6 MET N N 6 122.952 126.481 -3.529 1
1 39 . 11 1 1 A 7 7 GLN H H 7 8.313 8.873 -0.560 1
1 40 . 11 1 1 A 7 7 GLN HA H 7 4.435 5.175 -0.740 1
1 42 . 11 1 1 A 7 7 GLN C C 7 176.128 174.276 1.852 1
1 43 . 11 1 1 A 7 7 GLN CA C 7 56.109 54.139 1.970 1
1 44 . 11 1 1 A 7 7 GLN CB C 7 29.591 31.448 -1.857 1
1 45 . 11 1 1 A 7 7 GLN N N 7 121.379 121.567 -0.188 1
1 46 . 11 1 1 A 8 8 THR H H 8 8.195 8.879 -0.684 1
1 47 . 11 1 1 A 8 8 THR HA H 8 4.406 4.825 -0.419 1
1 49 . 11 1 1 A 8 8 THR C C 8 174.739 172.845 1.894 1
1 50 . 11 1 1 A 8 8 THR CA C 8 61.856 60.589 1.267 1
1 51 . 11 1 1 A 8 8 THR CB C 8 69.854 70.661 -0.807 1
1 52 . 11 1 1 A 8 8 THR N N 8 115.096 117.174 -2.078 1
1 53 . 11 1 1 A 9 9 THR H H 9 8.081 8.941 -0.860 1
1 54 . 11 1 1 A 9 9 THR HA H 9 4.335 4.333 0.002 1
1 56 . 11 1 1 A 9 9 THR C C 9 174.407 174.981 -0.574 1
1 57 . 11 1 1 A 9 9 THR CA C 9 61.896 63.072 -1.176 1
1 58 . 11 1 1 A 9 9 THR CB C 9 69.811 67.669 2.142 1
1 59 . 11 1 1 A 9 9 THR N N 9 115.837 122.198 -6.361 1
1 60 . 11 1 1 A 10 10 HIS H H 10 8.477 8.789 -0.312 1
1 61 . 11 1 1 A 10 10 HIS HA H 10 4.788 4.629 0.159 1
1 64 . 11 1 1 A 10 10 HIS C C 10 174.571 175.016 -0.445 1
1 65 . 11 1 1 A 10 10 HIS CA C 10 55.477 57.172 -1.695 1
1 66 . 11 1 1 A 10 10 HIS CB C 10 29.291 30.668 -1.377 1
1 67 . 11 1 1 A 10 10 HIS N N 10 120.606 128.533 -7.927 1
1 68 . 11 1 1 A 11 11 SER H H 11 8.306 7.916 0.390 1
1 69 . 11 1 1 A 11 11 SER HA H 11 4.448 4.259 0.189 1
1 71 . 11 1 1 A 11 11 SER C C 11 174.512 174.108 0.404 1
1 72 . 11 1 1 A 11 11 SER CA C 11 58.557 57.042 1.515 1
1 73 . 11 1 1 A 11 11 SER CB C 11 63.943 62.771 1.172 1
1 74 . 11 1 1 A 11 11 SER N N 11 117.043 116.313 0.730 1
1 75 . 11 1 1 A 12 12 LYS H H 12 8.402 8.296 0.106 1
1 76 . 11 1 1 A 12 12 LYS HA H 12 4.359 4.238 0.121 1
1 79 . 11 1 1 A 12 12 LYS C C 12 176.592 175.916 0.676 1
1 80 . 11 1 1 A 12 12 LYS CA C 12 56.634 58.192 -1.558 1
1 81 . 11 1 1 A 12 12 LYS CB C 12 33.127 33.320 -0.193 1
1 82 . 11 1 1 A 12 12 LYS N N 12 123.023 128.629 -5.606 1
1 83 . 11 1 1 A 13 13 MET H H 13 8.343 7.611 0.732 1
1 84 . 11 1 1 A 13 13 MET HA H 13 4.530 4.685 -0.155 1
1 88 . 11 1 1 A 13 13 MET C C 13 176.373 173.716 2.657 1
1 89 . 11 1 1 A 13 13 MET CA C 13 55.680 54.724 0.956 1
1 90 . 11 1 1 A 13 13 MET CB C 13 32.925 35.220 -2.295 1
1 91 . 11 1 1 A 13 13 MET N N 13 121.294 116.854 4.440 1
1 92 . 11 1 1 A 14 14 THR H H 14 8.068 8.562 -0.494 1
1 93 . 11 1 1 A 14 14 THR HA H 14 4.333 4.866 -0.533 1
1 97 . 11 1 1 A 14 14 THR C C 14 174.246 172.834 1.412 1
1 98 . 11 1 1 A 14 14 THR CA C 14 61.770 60.416 1.354 1
1 99 . 11 1 1 A 14 14 THR CB C 14 69.894 70.092 -0.198 1
1 100 . 11 1 1 A 14 14 THR N N 14 115.254 117.917 -2.663 1
1 101 . 11 1 1 A 15 15 ALA H H 15 8.289 8.492 -0.203 1
1 102 . 11 1 1 A 15 15 ALA HA H 15 4.344 4.510 -0.166 1
1 106 . 11 1 1 A 15 15 ALA C C 15 178.080 178.039 0.041 1
1 107 . 11 1 1 A 15 15 ALA CA C 15 52.779 52.258 0.521 1
1 108 . 11 1 1 A 15 15 ALA CB C 15 19.286 20.257 -0.971 1
1 109 . 11 1 1 A 15 15 ALA N N 15 126.372 126.115 0.257 1
1 110 . 11 1 1 A 16 16 GLY H H 16 8.291 7.917 0.374 1
1 111 . 11 1 1 A 16 16 GLY HA2 H 16 3.913 4.096 -0.183 1
1 112 . 11 1 1 A 16 16 GLY C C 16 173.788 173.148 0.640 1
1 113 . 11 1 1 A 16 16 GLY CA C 16 45.298 44.509 0.789 1
1 114 . 11 1 1 A 16 16 GLY N N 16 108.095 105.669 2.426 1
1 115 . 11 1 1 A 17 17 ALA H H 17 8.000 8.253 -0.253 1
1 116 . 11 1 1 A 17 17 ALA HA H 17 4.292 4.689 -0.397 1
1 120 . 11 1 1 A 17 17 ALA C C 17 177.366 176.346 1.020 1
1 121 . 11 1 1 A 17 17 ALA CA C 17 52.518 51.150 1.368 1
1 122 . 11 1 1 A 17 17 ALA CB C 17 19.577 19.667 -0.090 1
1 123 . 11 1 1 A 17 17 ALA N N 17 123.370 123.582 -0.212 1
1 124 . 11 1 1 A 18 18 TYR H H 18 8.135 8.429 -0.294 1
1 125 . 11 1 1 A 18 18 TYR HA H 18 4.640 5.073 -0.433 1
1 129 . 11 1 1 A 18 18 TYR C C 18 176.031 174.374 1.657 1
1 130 . 11 1 1 A 18 18 TYR CA C 18 57.973 56.048 1.925 1
1 131 . 11 1 1 A 18 18 TYR CB C 18 38.661 41.105 -2.444 1
1 132 . 11 1 1 A 18 18 TYR N N 18 119.212 121.380 -2.168 1
1 133 . 11 1 1 A 19 19 THR H H 19 7.912 9.471 -1.559 1
1 134 . 11 1 1 A 19 19 THR HA H 19 4.267 4.125 0.142 1
1 139 . 11 1 1 A 19 19 THR C C 19 173.995 174.385 -0.390 1
1 140 . 11 1 1 A 19 19 THR CA C 19 61.848 63.069 -1.221 1
1 141 . 11 1 1 A 19 19 THR CB C 19 69.756 67.264 2.492 1
1 142 . 11 1 1 A 19 19 THR N N 19 115.764 112.379 3.385 1
1 143 . 11 1 1 A 20 20 GLU H H 20 8.077 8.512 -0.435 1
1 144 . 11 1 1 A 20 20 GLU HA H 20 4.301 3.890 0.411 1
1 148 . 11 1 1 A 20 20 GLU C C 20 176.128 176.445 -0.317 1
1 149 . 11 1 1 A 20 20 GLU CA C 20 56.312 58.658 -2.346 1
1 150 . 11 1 1 A 20 20 GLU CB C 20 30.423 27.638 2.785 1
1 152 . 11 1 1 A 20 20 GLU N N 20 122.553 112.205 10.348 1
1 153 . 11 1 1 A 21 21 GLY H H 21 7.966 8.926 -0.960 1
1 154 . 11 1 1 A 21 21 GLY HA2 H 21 3.903 3.875 0.028 1
1 155 . 11 1 1 A 21 21 GLY CA C 21 44.257 46.675 -2.418 1
1 156 . 11 1 1 A 21 21 GLY N N 21 109.544 108.528 1.016 1
1 157 . 11 1 1 A 22 22 PRO HA H 22 4.232 4.278 -0.046 1
1 164 . 11 1 1 A 22 22 PRO CA C 22 61.109 65.902 -4.793 1
1 165 . 11 1 1 A 22 22 PRO CB C 22 30.711 31.213 -0.502 1
1 168 . 11 1 1 A 23 23 PRO HA H 23 4.363 4.491 -0.128 1
1 174 . 11 1 1 A 23 23 PRO C C 23 176.567 177.021 -0.454 1
1 175 . 11 1 1 A 23 23 PRO CA C 23 62.733 62.742 -0.009 1
1 176 . 11 1 1 A 23 23 PRO CB C 23 32.048 31.595 0.453 1
1 179 . 11 1 1 A 24 24 GLN H H 24 8.286 8.419 -0.133 1
1 180 . 11 1 1 A 24 24 GLN HA H 24 4.479 4.470 0.009 1
1 186 . 11 1 1 A 24 24 GLN CA C 24 53.763 54.220 -0.457 1
1 187 . 11 1 1 A 24 24 GLN CB C 24 28.800 28.131 0.669 1
1 189 . 11 1 1 A 24 24 GLN N N 24 121.215 121.146 0.069 1
1 191 . 11 1 1 A 25 25 PRO HA H 25 4.389 4.405 -0.016 1
1 198 . 11 1 1 A 25 25 PRO C C 25 176.707 176.697 0.010 1
1 199 . 11 1 1 A 25 25 PRO CA C 25 62.867 63.038 -0.171 1
1 200 . 11 1 1 A 25 25 PRO CB C 25 32.174 31.667 0.507 1
1 203 . 11 1 1 A 26 26 LEU H H 26 8.244 8.189 0.055 1
1 204 . 11 1 1 A 26 26 LEU HA H 26 4.405 4.495 -0.090 1
1 214 . 11 1 1 A 26 26 LEU C C 26 177.517 176.647 0.870 1
1 215 . 11 1 1 A 26 26 LEU CA C 26 54.643 53.293 1.350 1
1 216 . 11 1 1 A 26 26 LEU CB C 26 43.618 43.967 -0.349 1
1 220 . 11 1 1 A 26 26 LEU N N 26 122.745 119.545 3.200 1
1 221 . 11 1 1 A 27 27 SER H H 27 8.758 8.968 -0.210 1
1 222 . 11 1 1 A 27 27 SER HA H 27 4.474 4.624 -0.150 1
1 225 . 11 1 1 A 27 27 SER C C 27 174.789 175.474 -0.685 1
1 226 . 11 1 1 A 27 27 SER CA C 27 57.461 58.103 -0.642 1
1 227 . 11 1 1 A 27 27 SER CB C 27 65.280 63.950 1.330 1
1 228 . 11 1 1 A 27 27 SER N N 27 117.967 116.500 1.467 1
1 229 . 11 1 1 A 28 28 ALA H H 28 8.841 8.953 -0.112 1
1 230 . 11 1 1 A 28 28 ALA HA H 28 4.037 3.940 0.097 1
1 234 . 11 1 1 A 28 28 ALA CA C 28 55.346 55.282 0.064 1
1 235 . 11 1 1 A 28 28 ALA CB C 28 18.347 18.318 0.029 1
1 236 . 11 1 1 A 28 28 ALA N N 28 124.144 129.429 -5.285 1
1 237 . 11 1 1 A 29 29 GLU H H 29 8.565 7.959 0.606 1
1 238 . 11 1 1 A 29 29 GLU HA H 29 4.026 4.102 -0.076 1
1 242 . 11 1 1 A 29 29 GLU C C 29 178.877 179.281 -0.404 1
1 243 . 11 1 1 A 29 29 GLU CA C 29 59.430 59.414 0.016 1
1 244 . 11 1 1 A 29 29 GLU CB C 29 29.244 29.155 0.089 1
1 246 . 11 1 1 A 29 29 GLU N N 29 117.527 118.158 -0.631 1
1 247 . 11 1 1 A 30 30 GLU H H 30 7.823 7.977 -0.154 1
1 248 . 11 1 1 A 30 30 GLU HA H 30 4.054 4.041 0.013 1
1 253 . 11 1 1 A 30 30 GLU C C 30 179.191 179.295 -0.104 1
1 254 . 11 1 1 A 30 30 GLU CA C 30 59.037 59.242 -0.205 1
1 255 . 11 1 1 A 30 30 GLU CB C 30 30.102 29.048 1.054 1
1 257 . 11 1 1 A 30 30 GLU N N 30 120.773 121.061 -0.288 1
1 258 . 11 1 1 A 31 31 LYS H H 31 8.246 7.444 0.802 1
1 259 . 11 1 1 A 31 31 LYS HA H 31 3.844 4.111 -0.267 1
1 266 . 11 1 1 A 31 31 LYS C C 31 177.968 179.426 -1.458 1
1 267 . 11 1 1 A 31 31 LYS CA C 31 59.889 59.360 0.529 1
1 268 . 11 1 1 A 31 31 LYS CB C 31 32.350 32.035 0.315 1
1 272 . 11 1 1 A 31 31 LYS N N 31 119.315 120.120 -0.805 1
1 273 . 11 1 1 A 32 32 LYS H H 32 7.698 7.443 0.255 1
1 274 . 11 1 1 A 32 32 LYS HA H 32 4.043 4.063 -0.020 1
1 282 . 11 1 1 A 32 32 LYS C C 32 178.848 179.834 -0.986 1
1 283 . 11 1 1 A 32 32 LYS CA C 32 59.479 59.830 -0.351 1
1 284 . 11 1 1 A 32 32 LYS CB C 32 32.459 32.093 0.366 1
1 288 . 11 1 1 A 32 32 LYS N N 32 118.195 119.695 -1.500 1
1 289 . 11 1 1 A 33 33 GLU H H 33 7.512 8.039 -0.527 1
1 290 . 11 1 1 A 33 33 GLU HA H 33 4.031 4.081 -0.050 1
1 295 . 11 1 1 A 33 33 GLU C C 33 178.989 179.435 -0.446 1
1 296 . 11 1 1 A 33 33 GLU CA C 33 59.157 59.057 0.100 1
1 297 . 11 1 1 A 33 33 GLU CB C 33 29.220 29.564 -0.344 1
1 299 . 11 1 1 A 33 33 GLU N N 33 118.459 119.987 -1.528 1
1 300 . 11 1 1 A 34 34 ILE H H 34 7.912 7.979 -0.067 1
1 301 . 11 1 1 A 34 34 ILE HA H 34 3.503 3.858 -0.355 1
1 311 . 11 1 1 A 34 34 ILE C C 34 180.639 177.737 2.902 1
1 312 . 11 1 1 A 34 34 ILE CA C 34 65.305 64.093 1.212 1
1 313 . 11 1 1 A 34 34 ILE CB C 34 38.540 37.458 1.082 1
1 317 . 11 1 1 A 34 34 ILE N N 34 120.176 117.820 2.356 1
1 318 . 11 1 1 A 35 35 ASP H H 35 8.457 8.260 0.197 1
1 319 . 11 1 1 A 35 35 ASP HA H 35 4.145 4.379 -0.234 1
1 322 . 11 1 1 A 35 35 ASP C C 35 178.790 178.929 -0.139 1
1 323 . 11 1 1 A 35 35 ASP CA C 35 58.322 57.178 1.144 1
1 324 . 11 1 1 A 35 35 ASP CB C 35 39.538 40.839 -1.301 1
1 325 . 11 1 1 A 35 35 ASP N N 35 123.589 121.523 2.066 1
1 326 . 11 1 1 A 36 36 LYS H H 36 7.573 8.244 -0.671 1
1 327 . 11 1 1 A 36 36 LYS HA H 36 4.187 4.159 0.028 1
1 334 . 11 1 1 A 36 36 LYS C C 36 176.400 177.961 -1.561 1
1 335 . 11 1 1 A 36 36 LYS CA C 36 58.656 59.050 -0.394 1
1 336 . 11 1 1 A 36 36 LYS CB C 36 32.991 32.371 0.620 1
1 340 . 11 1 1 A 36 36 LYS N N 36 117.506 118.831 -1.325 1
1 341 . 11 1 1 A 37 37 ARG H H 37 7.397 7.331 0.066 1
1 342 . 11 1 1 A 37 37 ARG HA H 37 4.658 4.573 0.085 1
1 348 . 11 1 1 A 37 37 ARG C C 37 174.361 175.901 -1.540 1
1 349 . 11 1 1 A 37 37 ARG CA C 37 55.793 55.428 0.365 1
1 350 . 11 1 1 A 37 37 ARG CB C 37 31.260 30.843 0.417 1
1 353 . 11 1 1 A 37 37 ARG N N 37 115.182 117.259 -2.077 1
1 354 . 11 1 1 A 38 38 SER H H 38 7.416 7.453 -0.037 1
1 355 . 11 1 1 A 38 38 SER HA H 38 6.346 5.209 1.137 1
1 358 . 11 1 1 A 38 38 SER C C 38 173.807 173.761 0.046 1
1 359 . 11 1 1 A 38 38 SER CA C 38 57.574 58.276 -0.702 1
1 360 . 11 1 1 A 38 38 SER CB C 38 67.003 64.748 2.255 1
1 361 . 11 1 1 A 38 38 SER N N 38 112.872 117.891 -5.019 1
1 362 . 11 1 1 A 39 39 VAL H H 39 8.812 9.111 -0.299 1
1 363 . 11 1 1 A 39 39 VAL HA H 39 5.117 5.353 -0.236 1
1 371 . 11 1 1 A 39 39 VAL C C 39 174.519 173.354 1.165 1
1 372 . 11 1 1 A 39 39 VAL CA C 39 59.085 58.933 0.152 1
1 373 . 11 1 1 A 39 39 VAL CB C 39 34.476 35.427 -0.951 1
1 376 . 11 1 1 A 39 39 VAL N N 39 111.961 118.844 -6.883 1
1 377 . 11 1 1 A 40 40 TYR H H 40 9.366 9.638 -0.272 1
1 378 . 11 1 1 A 40 40 TYR HA H 40 5.108 4.861 0.247 1
1 385 . 11 1 1 A 40 40 TYR C C 40 172.976 173.773 -0.797 1
1 386 . 11 1 1 A 40 40 TYR CA C 40 56.633 55.811 0.822 1
1 387 . 11 1 1 A 40 40 TYR CB C 40 41.058 40.778 0.280 1
1 390 . 11 1 1 A 40 40 TYR N N 40 123.743 124.692 -0.949 1
1 391 . 11 1 1 A 41 41 VAL H H 41 8.734 9.035 -0.301 1
1 392 . 11 1 1 A 41 41 VAL HA H 41 4.876 4.423 0.453 1
1 400 . 11 1 1 A 41 41 VAL C C 41 174.651 175.012 -0.361 1
1 401 . 11 1 1 A 41 41 VAL CA C 41 59.798 60.621 -0.823 1
1 402 . 11 1 1 A 41 41 VAL CB C 41 33.329 32.217 1.112 1
1 405 . 11 1 1 A 41 41 VAL N N 41 127.436 127.823 -0.387 1
1 406 . 11 1 1 A 42 42 GLY H H 42 9.669 8.689 0.980 1
1 407 . 11 1 1 A 42 42 GLY HA2 H 42 3.612 3.912 -0.300 1
1 408 . 11 1 1 A 42 42 GLY HA3 H 42 4.392 3.941 0.451 1
1 409 . 11 1 1 A 42 42 GLY C C 42 173.639 174.396 -0.757 1
1 410 . 11 1 1 A 42 42 GLY CA C 42 44.169 43.618 0.551 1
1 411 . 11 1 1 A 42 42 GLY N N 42 113.263 114.886 -1.623 1
1 412 . 11 1 1 A 43 43 ASN H H 43 8.412 9.073 -0.661 1
1 413 . 11 1 1 A 43 43 ASN HA H 43 4.510 4.395 0.115 1
1 418 . 11 1 1 A 43 43 ASN C C 43 174.364 175.230 -0.866 1
1 419 . 11 1 1 A 43 43 ASN CA C 43 53.557 54.272 -0.715 1
1 420 . 11 1 1 A 43 43 ASN CB C 43 37.283 38.165 -0.882 1
1 421 . 11 1 1 A 43 43 ASN N N 43 115.451 119.354 -3.903 1
1 423 . 11 1 1 A 44 44 VAL H H 44 7.083 7.869 -0.786 1
1 424 . 11 1 1 A 44 44 VAL HA H 44 3.975 4.091 -0.116 1
1 432 . 11 1 1 A 44 44 VAL C C 44 175.885 174.597 1.288 1
1 433 . 11 1 1 A 44 44 VAL CA C 44 61.614 62.612 -0.998 1
1 434 . 11 1 1 A 44 44 VAL CB C 44 32.914 33.071 -0.157 1
1 437 . 11 1 1 A 44 44 VAL N N 44 115.399 119.833 -4.434 1
1 438 . 11 1 1 A 45 45 ASP H H 45 8.305 8.569 -0.264 1
1 439 . 11 1 1 A 45 45 ASP HA H 45 4.467 4.873 -0.406 1
1 442 . 11 1 1 A 45 45 ASP C C 45 177.205 176.671 0.534 1
1 443 . 11 1 1 A 45 45 ASP CA C 45 54.613 54.491 0.122 1
1 444 . 11 1 1 A 45 45 ASP CB C 45 43.657 42.567 1.090 1
1 445 . 11 1 1 A 45 45 ASP N N 45 124.440 127.427 -2.987 1
1 446 . 11 1 1 A 46 46 TYR H H 46 8.715 9.202 -0.487 1
1 447 . 11 1 1 A 46 46 TYR HA H 46 4.483 4.180 0.303 1
1 454 . 11 1 1 A 46 46 TYR C C 46 175.453 177.597 -2.144 1
1 455 . 11 1 1 A 46 46 TYR CA C 46 59.464 60.958 -1.494 1
1 456 . 11 1 1 A 46 46 TYR CB C 46 38.753 38.956 -0.203 1
1 458 . 11 1 1 A 46 46 TYR N N 46 125.588 127.299 -1.711 1
1 459 . 11 1 1 A 47 47 GLY H H 47 8.387 8.823 -0.436 1
1 460 . 11 1 1 A 47 47 GLY HA2 H 47 3.561 4.006 -0.445 1
1 461 . 11 1 1 A 47 47 GLY HA3 H 47 4.348 4.051 0.297 1
1 462 . 11 1 1 A 47 47 GLY C C 47 173.578 174.360 -0.782 1
1 463 . 11 1 1 A 47 47 GLY CA C 47 44.965 46.404 -1.439 1
1 464 . 11 1 1 A 47 47 GLY N N 47 106.974 106.801 0.173 1
1 465 . 11 1 1 A 48 48 SER H H 48 7.417 7.865 -0.448 1
1 466 . 11 1 1 A 48 48 SER HA H 48 4.428 4.783 -0.355 1
1 468 . 11 1 1 A 48 48 SER C C 48 173.220 173.917 -0.697 1
1 469 . 11 1 1 A 48 48 SER CA C 48 59.892 58.764 1.128 1
1 470 . 11 1 1 A 48 48 SER CB C 48 64.519 64.746 -0.227 1
1 471 . 11 1 1 A 48 48 SER N N 48 115.423 116.562 -1.139 1
1 472 . 11 1 1 A 49 49 THR H H 49 8.474 8.829 -0.355 1
1 473 . 11 1 1 A 49 49 THR HA H 49 4.660 4.950 -0.290 1
1 478 . 11 1 1 A 49 49 THR C C 49 175.940 175.762 0.178 1
1 479 . 11 1 1 A 49 49 THR CA C 49 58.831 59.868 -1.037 1
1 480 . 11 1 1 A 49 49 THR CB C 49 72.585 72.254 0.331 1
1 482 . 11 1 1 A 49 49 THR N N 49 112.103 113.993 -1.890 1
1 483 . 11 1 1 A 50 50 ALA H H 50 9.723 9.021 0.702 1
1 484 . 11 1 1 A 50 50 ALA HA H 50 3.923 4.052 -0.129 1
1 488 . 11 1 1 A 50 50 ALA C C 50 179.045 179.795 -0.750 1
1 489 . 11 1 1 A 50 50 ALA CA C 50 55.643 55.535 0.108 1
1 490 . 11 1 1 A 50 50 ALA CB C 50 18.259 18.209 0.050 1
1 491 . 11 1 1 A 50 50 ALA N N 50 123.988 124.098 -0.110 1
1 492 . 11 1 1 A 51 51 GLN H H 51 7.730 8.325 -0.595 1
1 493 . 11 1 1 A 51 51 GLN HA H 51 3.940 4.061 -0.121 1
1 500 . 11 1 1 A 51 51 GLN C C 51 178.215 178.525 -0.310 1
1 501 . 11 1 1 A 51 51 GLN CA C 51 59.096 58.930 0.166 1
1 502 . 11 1 1 A 51 51 GLN CB C 51 28.508 28.432 0.076 1
1 504 . 11 1 1 A 51 51 GLN N N 51 116.375 117.469 -1.094 1
1 505 . 11 1 1 A 52 52 ASP H H 52 8.273 8.338 -0.065 1
1 506 . 11 1 1 A 52 52 ASP HA H 52 4.587 4.430 0.157 1
1 507 . 11 1 1 A 52 52 ASP C C 52 179.837 179.015 0.822 1
1 508 . 11 1 1 A 52 52 ASP CA C 52 57.556 57.907 -0.351 1
1 509 . 11 1 1 A 52 52 ASP CB C 52 41.057 41.595 -0.538 1
1 510 . 11 1 1 A 52 52 ASP N N 52 120.755 119.690 1.065 1
1 511 . 11 1 1 A 53 53 LEU H H 53 7.855 8.557 -0.702 1
1 512 . 11 1 1 A 53 53 LEU HA H 53 3.933 4.115 -0.182 1
1 522 . 11 1 1 A 53 53 LEU C C 53 178.463 179.177 -0.714 1
1 523 . 11 1 1 A 53 53 LEU CA C 53 58.367 58.144 0.223 1
1 524 . 11 1 1 A 53 53 LEU CB C 53 42.646 41.003 1.643 1
1 528 . 11 1 1 A 53 53 LEU N N 53 122.035 119.954 2.081 1
1 529 . 11 1 1 A 54 54 GLU H H 54 8.804 8.806 -0.002 1
1 530 . 11 1 1 A 54 54 GLU HA H 54 3.745 4.073 -0.328 1
1 534 . 11 1 1 A 54 54 GLU C C 54 178.467 178.808 -0.341 1
1 535 . 11 1 1 A 54 54 GLU CA C 54 59.833 59.173 0.660 1
1 536 . 11 1 1 A 54 54 GLU CB C 54 29.238 29.716 -0.478 1
1 538 . 11 1 1 A 54 54 GLU N N 54 120.472 118.236 2.236 1
1 539 . 11 1 1 A 55 55 ALA H H 55 8.098 7.961 0.137 1
1 540 . 11 1 1 A 55 55 ALA HA H 55 4.249 4.225 0.024 1
1 544 . 11 1 1 A 55 55 ALA C C 55 180.711 179.856 0.855 1
1 545 . 11 1 1 A 55 55 ALA CA C 55 55.077 55.140 -0.063 1
1 546 . 11 1 1 A 55 55 ALA CB C 55 18.164 18.881 -0.717 1
1 547 . 11 1 1 A 55 55 ALA N N 55 119.302 122.500 -3.198 1
1 548 . 11 1 1 A 56 56 HIS H H 56 7.927 7.702 0.225 1
1 549 . 11 1 1 A 56 56 HIS HA H 56 4.281 4.266 0.015 1
1 553 . 11 1 1 A 56 56 HIS C C 56 176.342 177.031 -0.689 1
1 554 . 11 1 1 A 56 56 HIS CA C 56 59.362 59.305 0.057 1
1 555 . 11 1 1 A 56 56 HIS CB C 56 31.200 29.462 1.738 1
1 556 . 11 1 1 A 56 56 HIS N N 56 117.016 118.199 -1.183 1
1 557 . 11 1 1 A 57 57 PHE H H 57 7.811 7.825 -0.014 1
1 558 . 11 1 1 A 57 57 PHE HA H 57 4.554 4.365 0.189 1
1 565 . 11 1 1 A 57 57 PHE C C 57 177.301 178.279 -0.978 1
1 566 . 11 1 1 A 57 57 PHE CA C 57 59.480 61.870 -2.390 1
1 567 . 11 1 1 A 57 57 PHE CB C 57 40.432 38.792 1.640 1
1 571 . 11 1 1 A 57 57 PHE N N 57 111.423 115.799 -4.376 1
1 572 . 11 1 1 A 58 58 SER H H 58 8.126 8.454 -0.328 1
1 573 . 11 1 1 A 58 58 SER HA H 58 4.468 4.678 -0.210 1
1 575 . 11 1 1 A 58 58 SER C C 58 176.676 176.390 0.286 1
1 576 . 11 1 1 A 58 58 SER CA C 58 62.159 61.884 0.275 1
1 577 . 11 1 1 A 58 58 SER N N 58 118.439 117.224 1.215 1
1 578 . 11 1 1 A 59 59 SER H H 59 8.422 7.591 0.831 1
1 579 . 11 1 1 A 59 59 SER HA H 59 4.291 4.189 0.102 1
1 581 . 11 1 1 A 59 59 SER C C 59 175.955 175.554 0.401 1
1 582 . 11 1 1 A 59 59 SER CA C 59 60.277 61.284 -1.007 1
1 583 . 11 1 1 A 59 59 SER CB C 59 62.444 62.890 -0.446 1
1 584 . 11 1 1 A 59 59 SER N N 59 116.618 118.014 -1.396 1
1 585 . 11 1 1 A 60 60 CYS H H 60 8.226 8.080 0.146 1
1 586 . 11 1 1 A 60 60 CYS HA H 60 4.067 4.482 -0.415 1
1 589 . 11 1 1 A 60 60 CYS C C 60 174.682 174.364 0.318 1
1 590 . 11 1 1 A 60 60 CYS CA C 60 60.683 59.523 1.160 1
1 591 . 11 1 1 A 60 60 CYS CB C 60 28.894 28.480 0.414 1
1 592 . 11 1 1 A 60 60 CYS N N 60 118.900 117.378 1.522 1
1 593 . 11 1 1 A 61 61 GLY H H 61 7.414 7.310 0.104 1
1 594 . 11 1 1 A 61 61 GLY HA2 H 61 3.887 4.105 -0.218 1
1 595 . 11 1 1 A 61 61 GLY HA3 H 61 4.489 4.137 0.352 1
1 596 . 11 1 1 A 61 61 GLY C C 61 171.619 172.469 -0.850 1
1 597 . 11 1 1 A 61 61 GLY CA C 61 44.000 44.733 -0.733 1
1 598 . 11 1 1 A 61 61 GLY N N 61 106.320 108.950 -2.630 1
1 599 . 11 1 1 A 62 62 SER H H 62 8.182 8.525 -0.343 1
1 600 . 11 1 1 A 62 62 SER HA H 62 4.420 5.222 -0.802 1
1 603 . 11 1 1 A 62 62 SER C C 62 175.295 174.271 1.024 1
1 604 . 11 1 1 A 62 62 SER CA C 62 59.839 58.293 1.546 1
1 605 . 11 1 1 A 62 62 SER CB C 62 63.617 64.276 -0.659 1
1 606 . 11 1 1 A 62 62 SER N N 62 112.485 117.438 -4.953 1
1 607 . 11 1 1 A 63 63 ILE H H 63 8.857 8.967 -0.110 1
1 608 . 11 1 1 A 63 63 ILE HA H 63 4.007 3.853 0.154 1
1 618 . 11 1 1 A 63 63 ILE C C 63 175.045 175.972 -0.927 1
1 619 . 11 1 1 A 63 63 ILE CA C 63 61.979 62.071 -0.092 1
1 620 . 11 1 1 A 63 63 ILE CB C 63 41.048 37.464 3.584 1
1 624 . 11 1 1 A 63 63 ILE N N 63 127.966 127.216 0.750 1
1 625 . 11 1 1 A 64 64 ASN H H 64 8.897 9.370 -0.473 1
1 626 . 11 1 1 A 64 64 ASN HA H 64 4.667 4.712 -0.045 1
1 631 . 11 1 1 A 64 64 ASN C C 64 174.686 174.568 0.118 1
1 632 . 11 1 1 A 64 64 ASN CA C 64 53.627 54.909 -1.282 1
1 633 . 11 1 1 A 64 64 ASN CB C 64 40.062 39.856 0.206 1
1 634 . 11 1 1 A 64 64 ASN N N 64 124.997 126.305 -1.308 1
1 636 . 11 1 1 A 65 65 ARG H H 65 7.419 7.492 -0.073 1
1 637 . 11 1 1 A 65 65 ARG HA H 65 5.155 4.898 0.257 1
1 645 . 11 1 1 A 65 65 ARG C C 65 173.788 173.779 0.009 1
1 646 . 11 1 1 A 65 65 ARG CA C 65 55.703 54.847 0.856 1
1 647 . 11 1 1 A 65 65 ARG CB C 65 35.408 35.152 0.256 1
1 650 . 11 1 1 A 65 65 ARG N N 65 116.737 115.904 0.833 1
1 652 . 11 1 1 A 66 66 ILE H H 66 8.681 8.642 0.039 1
1 653 . 11 1 1 A 66 66 ILE HA H 66 4.574 4.617 -0.043 1
1 663 . 11 1 1 A 66 66 ILE C C 66 173.717 173.517 0.200 1
1 664 . 11 1 1 A 66 66 ILE CA C 66 61.049 60.101 0.948 1
1 665 . 11 1 1 A 66 66 ILE CB C 66 42.988 41.590 1.398 1
1 669 . 11 1 1 A 66 66 ILE N N 66 123.359 122.326 1.033 1
1 670 . 11 1 1 A 67 67 THR H H 67 8.861 8.814 0.047 1
1 671 . 11 1 1 A 67 67 THR HA H 67 5.378 5.173 0.205 1
1 676 . 11 1 1 A 67 67 THR C C 67 173.526 173.454 0.072 1
1 677 . 11 1 1 A 67 67 THR CA C 67 61.112 61.713 -0.601 1
1 678 . 11 1 1 A 67 67 THR CB C 67 70.857 70.678 0.179 1
1 680 . 11 1 1 A 67 67 THR N N 67 124.375 123.833 0.542 1
1 681 . 11 1 1 A 68 68 ILE H H 68 9.768 9.052 0.716 1
1 682 . 11 1 1 A 68 68 ILE HA H 68 4.333 4.765 -0.432 1
1 692 . 11 1 1 A 68 68 ILE C C 68 173.743 175.053 -1.310 1
1 693 . 11 1 1 A 68 68 ILE CA C 68 61.237 60.043 1.194 1
1 694 . 11 1 1 A 68 68 ILE CB C 68 40.908 40.741 0.167 1
1 698 . 11 1 1 A 68 68 ILE N N 68 127.340 127.438 -0.098 1
1 699 . 11 1 1 A 69 69 LEU H H 69 9.045 9.214 -0.169 1
1 700 . 11 1 1 A 69 69 LEU HA H 69 5.074 5.106 -0.032 1
1 710 . 11 1 1 A 69 69 LEU C C 69 175.502 175.300 0.202 1
1 711 . 11 1 1 A 69 69 LEU CA C 69 55.186 52.891 2.295 1
1 712 . 11 1 1 A 69 69 LEU CB C 69 42.702 44.722 -2.020 1
1 716 . 11 1 1 A 69 69 LEU N N 69 128.686 125.527 3.159 1
1 717 . 11 1 1 A 70 70 CYS H H 70 8.767 8.854 -0.087 1
1 718 . 11 1 1 A 70 70 CYS HA H 70 5.237 5.857 -0.620 1
1 720 . 11 1 1 A 70 70 CYS C C 70 173.558 173.370 0.188 1
1 721 . 11 1 1 A 70 70 CYS CA C 70 57.609 56.773 0.836 1
1 722 . 11 1 1 A 70 70 CYS CB C 70 29.830 29.189 0.641 1
1 723 . 11 1 1 A 70 70 CYS N N 70 120.856 120.979 -0.123 1
1 724 . 11 1 1 A 71 71 ASP H H 71 9.109 9.077 0.032 1
1 725 . 11 1 1 A 71 71 ASP HA H 71 5.193 5.519 -0.326 1
1 728 . 11 1 1 A 71 71 ASP C C 71 175.440 175.427 0.013 1
1 729 . 11 1 1 A 71 71 ASP CA C 71 53.705 52.782 0.923 1
1 730 . 11 1 1 A 71 71 ASP CB C 71 44.774 42.345 2.429 1
1 731 . 11 1 1 A 71 71 ASP N N 71 124.936 124.179 0.757 1
1 732 . 11 1 1 A 72 72 LYS H H 72 8.262 9.044 -0.782 1
1 733 . 11 1 1 A 72 72 LYS HA H 72 4.553 4.454 0.099 1
1 740 . 11 1 1 A 72 72 LYS C C 72 177.732 178.042 -0.310 1
1 741 . 11 1 1 A 72 72 LYS CA C 72 55.608 56.922 -1.314 1
1 742 . 11 1 1 A 72 72 LYS CB C 72 32.469 33.353 -0.884 1
1 745 . 11 1 1 A 72 72 LYS N N 72 120.339 125.369 -5.030 1
1 746 . 11 1 1 A 73 73 PHE H H 73 8.663 8.262 0.401 1
1 747 . 11 1 1 A 73 73 PHE HA H 73 4.357 4.350 0.007 1
1 752 . 11 1 1 A 73 73 PHE C C 73 177.148 177.105 0.043 1
1 753 . 11 1 1 A 73 73 PHE CA C 73 60.214 59.894 0.320 1
1 754 . 11 1 1 A 73 73 PHE CB C 73 39.157 37.429 1.728 1
1 756 . 11 1 1 A 73 73 PHE N N 73 121.961 119.370 2.591 1
1 757 . 11 1 1 A 74 74 SER H H 74 8.780 7.098 1.682 1
1 758 . 11 1 1 A 74 74 SER HA H 74 4.353 4.379 -0.026 1
1 760 . 11 1 1 A 74 74 SER C C 74 174.810 174.622 0.188 1
1 761 . 11 1 1 A 74 74 SER CA C 74 58.965 58.073 0.892 1
1 762 . 11 1 1 A 74 74 SER CB C 74 63.650 63.270 0.380 1
1 763 . 11 1 1 A 74 74 SER N N 74 114.021 114.352 -0.331 1
1 764 . 11 1 1 A 75 75 GLY H H 75 8.004 8.268 -0.264 1
1 765 . 11 1 1 A 75 75 GLY HA2 H 75 3.635 3.832 -0.197 1
1 766 . 11 1 1 A 75 75 GLY HA3 H 75 4.221 3.899 0.322 1
1 767 . 11 1 1 A 75 75 GLY C C 75 173.254 174.171 -0.917 1
1 768 . 11 1 1 A 75 75 GLY CA C 75 45.162 45.528 -0.366 1
1 769 . 11 1 1 A 75 75 GLY N N 75 108.714 109.697 -0.983 1
1 770 . 11 1 1 A 76 76 HIS H H 76 7.670 7.768 -0.098 1
1 771 . 11 1 1 A 76 76 HIS HA H 76 5.020 4.684 0.336 1
1 775 . 11 1 1 A 76 76 HIS CA C 76 52.522 54.103 -1.581 1
1 776 . 11 1 1 A 76 76 HIS CB C 76 29.410 30.423 -1.013 1
1 777 . 11 1 1 A 76 76 HIS N N 76 118.164 119.119 -0.955 1
1 778 . 11 1 1 A 77 77 PRO HA H 77 4.551 5.116 -0.565 1
1 784 . 11 1 1 A 77 77 PRO C C 77 176.458 176.629 -0.171 1
1 785 . 11 1 1 A 77 77 PRO CA C 77 63.263 63.046 0.217 1
1 786 . 11 1 1 A 77 77 PRO CB C 77 32.077 31.927 0.150 1
1 789 . 11 1 1 A 78 78 LYS H H 78 8.846 8.757 0.089 1
1 790 . 11 1 1 A 78 78 LYS HA H 78 4.772 4.856 -0.084 1
1 796 . 11 1 1 A 78 78 LYS CA C 78 55.964 55.089 0.875 1
1 797 . 11 1 1 A 78 78 LYS CB C 78 35.816 34.710 1.106 1
1 799 . 11 1 1 A 78 78 LYS N N 78 124.197 122.439 1.758 1
1 800 . 11 1 1 A 79 79 GLY H H 79 8.352 8.639 -0.287 1
1 801 . 11 1 1 A 79 79 GLY HA2 H 79 3.871 4.277 -0.406 1
1 802 . 11 1 1 A 79 79 GLY HA3 H 79 5.451 4.287 1.164 1
1 803 . 11 1 1 A 79 79 GLY C C 79 173.400 172.434 0.966 1
1 804 . 11 1 1 A 79 79 GLY CA C 79 45.189 44.133 1.056 1
1 805 . 11 1 1 A 79 79 GLY N N 79 109.568 108.706 0.862 1
1 806 . 11 1 1 A 80 80 TYR H H 80 8.856 8.880 -0.024 1
1 807 . 11 1 1 A 80 80 TYR HA H 80 4.940 5.244 -0.304 1
1 814 . 11 1 1 A 80 80 TYR C C 80 171.720 172.724 -1.004 1
1 815 . 11 1 1 A 80 80 TYR CA C 80 56.267 56.361 -0.094 1
1 816 . 11 1 1 A 80 80 TYR CB C 80 40.003 41.680 -1.677 1
1 818 . 11 1 1 A 80 80 TYR N N 80 120.052 117.257 2.795 1
1 819 . 11 1 1 A 81 81 ALA H H 81 9.215 9.097 0.118 1
1 820 . 11 1 1 A 81 81 ALA HA H 81 5.386 5.277 0.109 1
1 824 . 11 1 1 A 81 81 ALA C C 81 175.357 175.134 0.223 1
1 825 . 11 1 1 A 81 81 ALA CA C 81 50.089 50.294 -0.205 1
1 826 . 11 1 1 A 81 81 ALA CB C 81 24.030 23.558 0.472 1
1 827 . 11 1 1 A 81 81 ALA N N 81 120.138 122.421 -2.283 1
1 828 . 11 1 1 A 82 82 TYR H H 82 8.974 9.073 -0.099 1
1 829 . 11 1 1 A 82 82 TYR HA H 82 5.885 5.570 0.315 1
1 836 . 11 1 1 A 82 82 TYR C C 82 176.232 174.914 1.318 1
1 837 . 11 1 1 A 82 82 TYR CA C 82 55.626 56.928 -1.302 1
1 838 . 11 1 1 A 82 82 TYR CB C 82 41.536 41.193 0.343 1
1 839 . 11 1 1 A 82 82 TYR N N 82 114.621 117.999 -3.378 1
1 840 . 11 1 1 A 83 83 ILE H H 83 8.644 8.681 -0.037 1
1 841 . 11 1 1 A 83 83 ILE HA H 83 4.275 4.740 -0.465 1
1 851 . 11 1 1 A 83 83 ILE C C 83 173.516 174.661 -1.145 1
1 852 . 11 1 1 A 83 83 ILE CA C 83 60.345 59.851 0.494 1
1 853 . 11 1 1 A 83 83 ILE CB C 83 39.535 40.960 -1.425 1
1 857 . 11 1 1 A 83 83 ILE N N 83 122.447 123.509 -1.062 1
1 858 . 11 1 1 A 84 84 GLU H H 84 8.612 8.976 -0.364 1
1 859 . 11 1 1 A 84 84 GLU HA H 84 4.801 5.417 -0.616 1
1 862 . 11 1 1 A 84 84 GLU C C 84 176.111 175.567 0.544 1
1 863 . 11 1 1 A 84 84 GLU CA C 84 54.496 54.890 -0.394 1
1 864 . 11 1 1 A 84 84 GLU CB C 84 31.499 31.520 -0.021 1
1 865 . 11 1 1 A 84 84 GLU N N 84 127.346 125.866 1.480 1
1 866 . 11 1 1 A 85 85 PHE H H 85 9.087 9.315 -0.228 1
1 867 . 11 1 1 A 85 85 PHE HA H 85 4.817 4.907 -0.090 1
1 875 . 11 1 1 A 85 85 PHE C C 85 174.422 176.713 -2.291 1
1 876 . 11 1 1 A 85 85 PHE CA C 85 59.072 57.426 1.646 1
1 877 . 11 1 1 A 85 85 PHE CB C 85 40.765 41.603 -0.838 1
1 878 . 11 1 1 A 85 85 PHE N N 85 128.049 122.830 5.219 1
1 879 . 11 1 1 A 86 86 ALA H H 86 8.192 9.170 -0.978 1
1 880 . 11 1 1 A 86 86 ALA HA H 86 4.239 4.215 0.024 1
1 884 . 11 1 1 A 86 86 ALA C C 86 178.143 177.822 0.321 1
1 885 . 11 1 1 A 86 86 ALA CA C 86 54.524 54.727 -0.203 1
1 886 . 11 1 1 A 86 86 ALA CB C 86 19.510 19.010 0.500 1
1 887 . 11 1 1 A 86 86 ALA N N 86 120.669 123.029 -2.360 1
1 888 . 11 1 1 A 87 87 GLU H H 87 8.455 8.086 0.369 1
1 889 . 11 1 1 A 87 87 GLU HA H 87 4.765 4.747 0.018 1
1 893 . 11 1 1 A 87 87 GLU C C 87 176.472 176.570 -0.098 1
1 894 . 11 1 1 A 87 87 GLU CA C 87 54.353 54.643 -0.290 1
1 895 . 11 1 1 A 87 87 GLU CB C 87 32.624 32.364 0.260 1
1 897 . 11 1 1 A 87 87 GLU N N 87 114.204 117.172 -2.968 1
1 898 . 11 1 1 A 88 88 ARG H H 88 8.917 9.089 -0.172 1
1 899 . 11 1 1 A 88 88 ARG HA H 88 3.961 4.069 -0.108 1
1 905 . 11 1 1 A 88 88 ARG C C 88 178.900 177.866 1.034 1
1 906 . 11 1 1 A 88 88 ARG CA C 88 59.548 58.647 0.901 1
1 907 . 11 1 1 A 88 88 ARG CB C 88 30.073 29.861 0.212 1
1 910 . 11 1 1 A 88 88 ARG N N 88 121.592 124.445 -2.853 1
1 911 . 11 1 1 A 89 89 ASN H H 89 8.845 7.971 0.874 1
1 912 . 11 1 1 A 89 89 ASN HA H 89 4.497 4.506 -0.009 1
1 916 . 11 1 1 A 89 89 ASN C C 89 177.179 178.221 -1.042 1
1 917 . 11 1 1 A 89 89 ASN CA C 89 55.861 55.512 0.349 1
1 918 . 11 1 1 A 89 89 ASN CB C 89 37.330 38.385 -1.055 1
1 919 . 11 1 1 A 89 89 ASN N N 89 116.555 117.482 -0.927 1
1 921 . 11 1 1 A 90 90 SER H H 90 7.513 8.035 -0.522 1
1 922 . 11 1 1 A 90 90 SER HA H 90 4.006 4.026 -0.020 1
1 925 . 11 1 1 A 90 90 SER C C 90 174.511 175.870 -1.359 1
1 926 . 11 1 1 A 90 90 SER CA C 90 61.395 62.222 -0.827 1
1 927 . 11 1 1 A 90 90 SER CB C 90 63.424 62.663 0.761 1
1 928 . 11 1 1 A 90 90 SER N N 90 116.007 118.439 -2.432 1
1 929 . 11 1 1 A 91 91 VAL H H 91 7.653 7.625 0.028 1
1 930 . 11 1 1 A 91 91 VAL HA H 91 3.201 3.601 -0.400 1
1 938 . 11 1 1 A 91 91 VAL C C 91 176.991 177.483 -0.492 1
1 939 . 11 1 1 A 91 91 VAL CA C 91 66.851 65.449 1.402 1
1 940 . 11 1 1 A 91 91 VAL CB C 91 31.599 31.582 0.017 1
1 943 . 11 1 1 A 91 91 VAL N N 91 119.934 119.334 0.600 1
1 944 . 11 1 1 A 92 92 ASP H H 92 7.192 8.043 -0.851 1
1 945 . 11 1 1 A 92 92 ASP HA H 92 4.321 4.310 0.011 1
1 947 . 11 1 1 A 92 92 ASP C C 92 178.585 178.013 0.572 1
1 948 . 11 1 1 A 92 92 ASP CA C 92 57.401 57.655 -0.254 1
1 949 . 11 1 1 A 92 92 ASP CB C 92 40.078 42.090 -2.012 1
1 950 . 11 1 1 A 92 92 ASP N N 92 117.084 121.286 -4.202 1
1 951 . 11 1 1 A 93 93 ALA H H 93 6.946 7.632 -0.686 1
1 952 . 11 1 1 A 93 93 ALA HA H 93 4.186 4.169 0.017 1
1 956 . 11 1 1 A 93 93 ALA C C 93 179.272 179.874 -0.602 1
1 957 . 11 1 1 A 93 93 ALA CA C 93 54.445 54.646 -0.201 1
1 958 . 11 1 1 A 93 93 ALA CB C 93 18.164 18.259 -0.095 1
1 959 . 11 1 1 A 93 93 ALA N N 93 121.045 120.769 0.276 1
1 960 . 11 1 1 A 94 94 ALA H H 94 8.033 7.750 0.283 1
1 961 . 11 1 1 A 94 94 ALA HA H 94 4.545 4.178 0.367 1
1 965 . 11 1 1 A 94 94 ALA C C 94 180.529 179.436 1.093 1
1 966 . 11 1 1 A 94 94 ALA CA C 94 55.518 55.110 0.408 1
1 967 . 11 1 1 A 94 94 ALA CB C 94 19.455 18.554 0.901 1
1 968 . 11 1 1 A 94 94 ALA N N 94 122.191 120.525 1.666 1
1 969 . 11 1 1 A 95 95 VAL H H 95 8.565 8.722 -0.157 1
1 970 . 11 1 1 A 95 95 VAL HA H 95 3.741 3.940 -0.199 1
1 978 . 11 1 1 A 95 95 VAL C C 95 178.767 177.772 0.995 1
1 979 . 11 1 1 A 95 95 VAL CA C 95 65.820 64.686 1.134 1
1 980 . 11 1 1 A 95 95 VAL CB C 95 31.501 31.478 0.023 1
1 983 . 11 1 1 A 95 95 VAL N N 95 117.405 116.283 1.122 1
1 984 . 11 1 1 A 96 96 ALA H H 96 7.354 7.516 -0.162 1
1 985 . 11 1 1 A 96 96 ALA HA H 96 4.403 4.238 0.165 1
1 989 . 11 1 1 A 96 96 ALA C C 96 178.242 178.211 0.031 1
1 990 . 11 1 1 A 96 96 ALA CA C 96 53.916 53.969 -0.053 1
1 991 . 11 1 1 A 96 96 ALA CB C 96 17.841 18.290 -0.449 1
1 992 . 11 1 1 A 96 96 ALA N N 96 122.769 123.602 -0.833 1
1 993 . 11 1 1 A 97 97 MET H H 97 7.980 7.820 0.160 1
1 994 . 11 1 1 A 97 97 MET HA H 97 4.471 4.807 -0.336 1
1 1002 . 11 1 1 A 97 97 MET C C 97 175.959 176.431 -0.472 1
1 1003 . 11 1 1 A 97 97 MET CA C 97 55.150 54.782 0.368 1
1 1004 . 11 1 1 A 97 97 MET CB C 97 31.663 32.925 -1.262 1
1 1007 . 11 1 1 A 97 97 MET N N 97 115.573 116.458 -0.885 1
1 1008 . 11 1 1 A 98 98 ASP H H 98 7.852 8.506 -0.654 1
1 1009 . 11 1 1 A 98 98 ASP HA H 98 4.422 4.411 0.011 1
1 1012 . 11 1 1 A 98 98 ASP C C 98 175.976 176.557 -0.581 1
1 1013 . 11 1 1 A 98 98 ASP CA C 98 57.476 57.047 0.429 1
1 1014 . 11 1 1 A 98 98 ASP CB C 98 42.008 40.511 1.497 1
1 1015 . 11 1 1 A 98 98 ASP N N 98 121.576 120.406 1.170 1
1 1016 . 11 1 1 A 99 99 GLU H H 99 8.643 7.735 0.908 1
1 1017 . 11 1 1 A 99 99 GLU HA H 99 4.154 4.567 -0.413 1
1 1022 . 11 1 1 A 99 99 GLU C C 99 176.369 175.114 1.255 1
1 1023 . 11 1 1 A 99 99 GLU CA C 99 58.403 55.678 2.725 1
1 1024 . 11 1 1 A 99 99 GLU CB C 99 26.214 29.768 -3.554 1
1 1026 . 11 1 1 A 99 99 GLU N N 99 119.455 119.593 -0.138 1
1 1027 . 11 1 1 A 100 100 THR H H 100 7.416 8.753 -1.337 1
1 1028 . 11 1 1 A 100 100 THR HA H 100 4.498 5.033 -0.535 1
1 1033 . 11 1 1 A 100 100 THR C C 100 172.876 171.831 1.045 1
1 1034 . 11 1 1 A 100 100 THR CA C 100 61.065 60.319 0.746 1
1 1035 . 11 1 1 A 100 100 THR CB C 100 72.140 72.164 -0.024 1
1 1037 . 11 1 1 A 100 100 THR N N 100 107.670 116.701 -9.031 1
1 1038 . 11 1 1 A 101 101 VAL H H 101 8.252 9.018 -0.766 1
1 1039 . 11 1 1 A 101 101 VAL HA H 101 4.638 4.929 -0.291 1
1 1047 . 11 1 1 A 101 101 VAL C C 101 176.138 174.103 2.035 1
1 1048 . 11 1 1 A 101 101 VAL CA C 101 62.299 59.553 2.746 1
1 1049 . 11 1 1 A 101 101 VAL CB C 101 32.215 34.254 -2.039 1
1 1052 . 11 1 1 A 101 101 VAL N N 101 118.227 121.306 -3.079 1
1 1053 . 11 1 1 A 102 102 PHE H H 102 9.300 9.593 -0.293 1
1 1054 . 11 1 1 A 102 102 PHE HA H 102 4.671 4.811 -0.140 1
1 1061 . 11 1 1 A 102 102 PHE C C 102 174.216 174.735 -0.519 1
1 1062 . 11 1 1 A 102 102 PHE CA C 102 56.205 57.269 -1.064 1
1 1063 . 11 1 1 A 102 102 PHE CB C 102 41.707 42.022 -0.315 1
1 1064 . 11 1 1 A 102 102 PHE N N 102 128.863 129.556 -0.693 1
1 1065 . 11 1 1 A 103 103 ARG H H 103 9.167 8.901 0.266 1
1 1066 . 11 1 1 A 103 103 ARG HA H 103 3.389 3.743 -0.354 1
1 1075 . 11 1 1 A 103 103 ARG C C 103 176.014 175.250 0.764 1
1 1076 . 11 1 1 A 103 103 ARG CA C 103 57.215 56.835 0.380 1
1 1077 . 11 1 1 A 103 103 ARG CB C 103 27.382 28.971 -1.589 1
1 1080 . 11 1 1 A 103 103 ARG N N 103 128.268 126.783 1.485 1
1 1082 . 11 1 1 A 104 104 GLY H H 104 8.005 8.543 -0.538 1
1 1083 . 11 1 1 A 104 104 GLY HA2 H 104 4.006 3.805 0.201 1
1 1084 . 11 1 1 A 104 104 GLY HA3 H 104 3.455 3.809 -0.354 1
1 1085 . 11 1 1 A 104 104 GLY C C 104 173.766 173.492 0.274 1
1 1086 . 11 1 1 A 104 104 GLY CA C 104 45.598 45.443 0.155 1
1 1087 . 11 1 1 A 104 104 GLY N N 104 101.324 104.783 -3.459 1
1 1088 . 11 1 1 A 105 105 ARG H H 105 7.681 7.314 0.367 1
1 1089 . 11 1 1 A 105 105 ARG HA H 105 4.735 4.891 -0.156 1
1 1097 . 11 1 1 A 105 105 ARG C C 105 174.543 174.762 -0.219 1
1 1098 . 11 1 1 A 105 105 ARG CA C 105 54.071 54.018 0.053 1
1 1099 . 11 1 1 A 105 105 ARG CB C 105 33.159 33.739 -0.580 1
1 1102 . 11 1 1 A 105 105 ARG N N 105 119.837 115.894 3.943 1
1 1104 . 11 1 1 A 106 106 THR H H 106 8.604 8.709 -0.105 1
1 1105 . 11 1 1 A 106 106 THR HA H 106 4.593 4.823 -0.230 1
1 1110 . 11 1 1 A 106 106 THR C C 106 175.643 174.512 1.131 1
1 1111 . 11 1 1 A 106 106 THR CA C 106 62.821 63.096 -0.275 1
1 1112 . 11 1 1 A 106 106 THR CB C 106 68.784 69.349 -0.565 1
1 1114 . 11 1 1 A 106 106 THR N N 106 118.251 117.197 1.054 1
1 1115 . 11 1 1 A 107 107 ILE H H 107 8.756 8.821 -0.065 1
1 1116 . 11 1 1 A 107 107 ILE HA H 107 4.884 4.992 -0.108 1
1 1126 . 11 1 1 A 107 107 ILE C C 107 174.877 174.670 0.207 1
1 1127 . 11 1 1 A 107 107 ILE CA C 107 60.834 59.142 1.692 1
1 1128 . 11 1 1 A 107 107 ILE CB C 107 40.644 40.390 0.254 1
1 1132 . 11 1 1 A 107 107 ILE N N 107 123.422 123.747 -0.325 1
1 1133 . 11 1 1 A 108 108 LYS H H 108 7.412 8.063 -0.651 1
1 1134 . 11 1 1 A 108 108 LYS HA H 108 5.524 5.407 0.117 1
1 1141 . 11 1 1 A 108 108 LYS C C 108 175.839 175.028 0.811 1
1 1142 . 11 1 1 A 108 108 LYS CA C 108 52.172 54.938 -2.766 1
1 1143 . 11 1 1 A 108 108 LYS CB C 108 33.947 36.141 -2.194 1
1 1147 . 11 1 1 A 108 108 LYS N N 108 121.402 121.359 0.043 1
1 1148 . 11 1 1 A 109 109 VAL H H 109 9.467 8.843 0.624 1
1 1149 . 11 1 1 A 109 109 VAL HA H 109 5.410 5.729 -0.319 1
1 1157 . 11 1 1 A 109 109 VAL C C 109 174.514 174.999 -0.485 1
1 1158 . 11 1 1 A 109 109 VAL CA C 109 61.258 61.086 0.172 1
1 1159 . 11 1 1 A 109 109 VAL CB C 109 34.289 34.336 -0.047 1
1 1162 . 11 1 1 A 109 109 VAL N N 109 125.530 123.722 1.808 1
1 1163 . 11 1 1 A 110 110 LEU H H 110 9.081 9.046 0.035 1
1 1164 . 11 1 1 A 110 110 LEU HA H 110 5.109 4.880 0.229 1
1 1173 . 11 1 1 A 110 110 LEU CA C 110 51.660 51.605 0.055 1
1 1174 . 11 1 1 A 110 110 LEU CB C 110 46.037 45.394 0.643 1
1 1178 . 11 1 1 A 110 110 LEU N N 110 125.323 127.162 -1.839 1
1 1179 . 11 1 1 A 111 111 PRO HA H 111 4.539 4.794 -0.255 1
1 1186 . 11 1 1 A 111 111 PRO C C 111 176.222 177.781 -1.559 1
1 1187 . 11 1 1 A 111 111 PRO CA C 111 63.390 62.757 0.633 1
1 1188 . 11 1 1 A 111 111 PRO CB C 111 31.697 32.421 -0.724 1
1 1191 . 11 1 1 A 112 112 LYS H H 112 8.121 9.182 -1.061 1
1 1192 . 11 1 1 A 112 112 LYS HA H 112 4.113 4.255 -0.142 1
1 1199 . 11 1 1 A 112 112 LYS C C 112 175.830 176.738 -0.908 1
1 1200 . 11 1 1 A 112 112 LYS CA C 112 58.405 59.557 -1.152 1
1 1201 . 11 1 1 A 112 112 LYS CB C 112 33.746 32.701 1.045 1
1 1204 . 11 1 1 A 112 112 LYS N N 112 124.317 123.342 0.975 1
1 1205 . 11 1 1 A 113 113 ARG H H 113 8.228 7.909 0.319 1
1 1206 . 11 1 1 A 113 113 ARG HA H 113 4.451 4.579 -0.128 1
1 1211 . 11 1 1 A 113 113 ARG C C 113 175.758 175.517 0.241 1
1 1212 . 11 1 1 A 113 113 ARG CA C 113 55.468 55.588 -0.120 1
1 1213 . 11 1 1 A 113 113 ARG CB C 113 31.550 30.822 0.728 1
1 1215 . 11 1 1 A 113 113 ARG N N 113 121.228 115.401 5.827 1
1 1216 . 11 1 1 A 114 114 THR H H 114 8.138 8.806 -0.668 1
1 1217 . 11 1 1 A 114 114 THR HA H 114 4.264 5.188 -0.924 1
1 1222 . 11 1 1 A 114 114 THR C C 114 174.043 172.619 1.424 1
1 1223 . 11 1 1 A 114 114 THR CA C 114 62.229 59.760 2.469 1
1 1224 . 11 1 1 A 114 114 THR CB C 114 69.682 72.969 -3.287 1
1 1226 . 11 1 1 A 114 114 THR N N 114 116.384 114.945 1.439 1
1 1227 . 11 1 1 A 115 115 ASN H H 115 8.406 8.596 -0.190 1
1 1228 . 11 1 1 A 115 115 ASN HA H 115 4.682 5.165 -0.483 1
1 1233 . 11 1 1 A 115 115 ASN C C 115 174.513 173.227 1.286 1
1 1234 . 11 1 1 A 115 115 ASN CA C 115 53.242 53.331 -0.089 1
1 1235 . 11 1 1 A 115 115 ASN CB C 115 38.888 40.199 -1.311 1
1 1236 . 11 1 1 A 115 115 ASN N N 115 120.871 119.038 1.833 1
1 1238 . 11 1 1 A 116 116 MET H H 116 8.138 8.900 -0.762 1
1 1239 . 11 1 1 A 116 116 MET CA C 116 53.400 51.908 1.492 1
1 1240 . 11 1 1 A 116 116 MET CB C 116 32.829 34.161 -1.332 1
1 1241 . 11 1 1 A 116 116 MET N N 116 121.611 127.117 -5.506 1
1 1242 . 11 1 1 A 117 117 PRO HA H 117 4.428 4.662 -0.234 1
1 1245 . 11 1 1 A 117 117 PRO C C 117 175.935 176.869 -0.934 1
1 1246 . 11 1 1 A 117 117 PRO CA C 117 63.489 62.938 0.551 1
1 1247 . 11 1 1 A 117 117 PRO CB C 117 32.105 31.998 0.107 1
1 1248 . 11 1 1 A 118 118 GLY H H 118 8.411 8.342 0.069 1
1 1249 . 11 1 1 A 118 118 GLY HA2 H 118 3.927 4.044 -0.117 1
1 1250 . 11 1 1 A 118 118 GLY HA3 H 118 4.389 4.045 0.344 1
1 1251 . 11 1 1 A 118 118 GLY C C 118 174.117 172.841 1.276 1
1 1252 . 11 1 1 A 118 118 GLY CA C 118 45.470 44.624 0.846 1
1 1253 . 11 1 1 A 118 118 GLY N N 118 109.241 108.103 1.138 1
1 1254 . 11 1 1 A 119 119 ILE H H 119 7.825 8.240 -0.415 1
1 1255 . 11 1 1 A 119 119 ILE HA H 119 4.234 4.639 -0.405 1
1 1265 . 11 1 1 A 119 119 ILE C C 119 176.261 173.725 2.536 1
1 1266 . 11 1 1 A 119 119 ILE CA C 119 61.029 60.586 0.443 1
1 1267 . 11 1 1 A 119 119 ILE CB C 119 38.878 40.265 -1.387 1
1 1270 . 11 1 1 A 119 119 ILE N N 119 119.504 122.697 -3.193 1
1 1271 . 11 1 1 A 120 120 SER H H 120 8.397 8.924 -0.527 1
1 1272 . 11 1 1 A 120 120 SER HA H 120 4.534 5.160 -0.626 1
1 1274 . 11 1 1 A 120 120 SER C C 120 174.692 172.923 1.769 1
1 1275 . 11 1 1 A 120 120 SER CA C 120 58.150 57.739 0.411 1
1 1276 . 11 1 1 A 120 120 SER CB C 120 63.997 65.442 -1.445 1
1 1277 . 11 1 1 A 120 120 SER N N 120 119.359 125.799 -6.440 1
1 1278 . 11 1 1 A 121 121 SER H H 121 8.371 8.903 -0.532 1
1 1279 . 11 1 1 A 121 121 SER HA H 121 4.360 4.827 -0.467 1
1 1280 . 11 1 1 A 121 121 SER C C 121 174.809 174.027 0.782 1
1 1281 . 11 1 1 A 121 121 SER CA C 121 58.656 58.381 0.275 1
1 1282 . 11 1 1 A 121 121 SER CB C 121 63.795 63.694 0.101 1
1 1283 . 11 1 1 A 121 121 SER N N 121 118.036 123.451 -5.415 1
1 1284 . 11 1 1 A 122 122 THR H H 122 8.100 8.704 -0.604 1
1 1285 . 11 1 1 A 122 122 THR C C 122 174.254 172.704 1.550 1
1 1286 . 11 1 1 A 122 122 THR CA C 122 61.829 61.744 0.085 1
1 1287 . 11 1 1 A 122 122 THR CB C 122 69.537 70.891 -1.354 1
1 1288 . 11 1 1 A 122 122 THR N N 122 114.163 120.890 -6.727 1
1 1289 . 11 1 1 A 123 123 ASP H H 123 8.197 9.117 -0.920 1
1 1290 . 11 1 1 A 123 123 ASP HA H 123 4.641 5.365 -0.724 1
1 1292 . 11 1 1 A 123 123 ASP C C 123 174.975 173.946 1.029 1
1 1293 . 11 1 1 A 123 123 ASP CA C 123 54.542 52.883 1.659 1
1 1294 . 11 1 1 A 123 123 ASP CB C 123 41.144 44.896 -3.752 1
1 1295 . 11 1 1 A 123 123 ASP N N 123 122.772 124.114 -1.342 1
1 8 . 12 1 1 A 2 2 ILE H H 2 8.420 8.633 -0.213 1
1 9 . 12 1 1 A 2 2 ILE HA H 2 4.219 4.919 -0.700 1
1 11 . 12 1 1 A 2 2 ILE C C 2 175.424 174.150 1.274 1
1 12 . 12 1 1 A 2 2 ILE CA C 2 61.022 59.279 1.743 1
1 13 . 12 1 1 A 2 2 ILE CB C 2 38.918 40.804 -1.886 1
1 14 . 12 1 1 A 2 2 ILE N N 2 120.314 114.863 5.451 1
1 15 . 12 1 1 A 3 3 ALA H H 3 8.374 8.670 -0.296 1
1 16 . 12 1 1 A 3 3 ALA CA C 3 50.509 48.767 1.742 1
1 17 . 12 1 1 A 3 3 ALA CB C 3 18.608 20.483 -1.875 1
1 18 . 12 1 1 A 3 3 ALA N N 3 129.874 128.579 1.295 1
1 19 . 12 1 1 A 4 4 PRO HA H 4 4.446 4.458 -0.012 1
1 22 . 12 1 1 A 4 4 PRO C C 4 176.949 176.089 0.860 1
1 23 . 12 1 1 A 4 4 PRO CA C 4 63.456 63.128 0.328 1
1 24 . 12 1 1 A 4 4 PRO CB C 4 32.203 31.964 0.239 1
1 25 . 12 1 1 A 5 5 CYS H H 5 8.347 8.575 -0.228 1
1 26 . 12 1 1 A 5 5 CYS HA H 5 4.492 5.069 -0.577 1
1 28 . 12 1 1 A 5 5 CYS C C 5 174.805 173.793 1.012 1
1 29 . 12 1 1 A 5 5 CYS CA C 5 58.495 57.731 0.764 1
1 30 . 12 1 1 A 5 5 CYS CB C 5 27.957 28.850 -0.893 1
1 31 . 12 1 1 A 5 5 CYS N N 5 118.477 123.638 -5.161 1
1 32 . 12 1 1 A 6 6 MET H H 6 8.421 8.810 -0.389 1
1 33 . 12 1 1 A 6 6 MET HA H 6 4.534 5.049 -0.515 1
1 35 . 12 1 1 A 6 6 MET C C 6 176.132 175.293 0.839 1
1 36 . 12 1 1 A 6 6 MET CA C 6 55.629 53.757 1.872 1
1 37 . 12 1 1 A 6 6 MET CB C 6 33.048 33.365 -0.317 1
1 38 . 12 1 1 A 6 6 MET N N 6 122.952 124.792 -1.840 1
1 39 . 12 1 1 A 7 7 GLN H H 7 8.313 8.438 -0.125 1
1 40 . 12 1 1 A 7 7 GLN HA H 7 4.435 4.585 -0.150 1
1 42 . 12 1 1 A 7 7 GLN C C 7 176.128 175.404 0.724 1
1 43 . 12 1 1 A 7 7 GLN CA C 7 56.109 55.432 0.677 1
1 44 . 12 1 1 A 7 7 GLN CB C 7 29.591 28.461 1.130 1
1 45 . 12 1 1 A 7 7 GLN N N 7 121.379 123.267 -1.888 1
1 46 . 12 1 1 A 8 8 THR H H 8 8.195 8.587 -0.392 1
1 47 . 12 1 1 A 8 8 THR HA H 8 4.406 4.351 0.055 1
1 49 . 12 1 1 A 8 8 THR C C 8 174.739 174.119 0.620 1
1 50 . 12 1 1 A 8 8 THR CA C 8 61.856 62.383 -0.527 1
1 51 . 12 1 1 A 8 8 THR CB C 8 69.854 69.292 0.562 1
1 52 . 12 1 1 A 8 8 THR N N 8 115.096 117.607 -2.511 1
1 53 . 12 1 1 A 9 9 THR H H 9 8.081 8.785 -0.704 1
1 54 . 12 1 1 A 9 9 THR HA H 9 4.335 4.673 -0.338 1
1 56 . 12 1 1 A 9 9 THR C C 9 174.407 173.320 1.087 1
1 57 . 12 1 1 A 9 9 THR CA C 9 61.896 61.278 0.618 1
1 58 . 12 1 1 A 9 9 THR CB C 9 69.811 69.516 0.295 1
1 59 . 12 1 1 A 9 9 THR N N 9 115.837 121.405 -5.568 1
1 60 . 12 1 1 A 10 10 HIS H H 10 8.477 8.746 -0.269 1
1 61 . 12 1 1 A 10 10 HIS HA H 10 4.788 5.474 -0.686 1
1 64 . 12 1 1 A 10 10 HIS C C 10 174.571 173.144 1.427 1
1 65 . 12 1 1 A 10 10 HIS CA C 10 55.477 53.584 1.893 1
1 66 . 12 1 1 A 10 10 HIS CB C 10 29.291 30.789 -1.498 1
1 67 . 12 1 1 A 10 10 HIS N N 10 120.606 124.550 -3.944 1
1 68 . 12 1 1 A 11 11 SER H H 11 8.306 8.933 -0.627 1
1 69 . 12 1 1 A 11 11 SER HA H 11 4.448 4.492 -0.044 1
1 71 . 12 1 1 A 11 11 SER C C 11 174.512 174.213 0.299 1
1 72 . 12 1 1 A 11 11 SER CA C 11 58.557 57.943 0.614 1
1 73 . 12 1 1 A 11 11 SER CB C 11 63.943 64.042 -0.099 1
1 74 . 12 1 1 A 11 11 SER N N 11 117.043 121.996 -4.953 1
1 75 . 12 1 1 A 12 12 LYS H H 12 8.402 8.338 0.064 1
1 76 . 12 1 1 A 12 12 LYS HA H 12 4.359 4.648 -0.289 1
1 79 . 12 1 1 A 12 12 LYS C C 12 176.592 175.971 0.621 1
1 80 . 12 1 1 A 12 12 LYS CA C 12 56.634 55.543 1.091 1
1 81 . 12 1 1 A 12 12 LYS CB C 12 33.127 32.226 0.901 1
1 82 . 12 1 1 A 12 12 LYS N N 12 123.023 125.121 -2.098 1
1 83 . 12 1 1 A 13 13 MET H H 13 8.343 8.169 0.174 1
1 84 . 12 1 1 A 13 13 MET HA H 13 4.530 4.705 -0.175 1
1 88 . 12 1 1 A 13 13 MET C C 13 176.373 175.339 1.034 1
1 89 . 12 1 1 A 13 13 MET CA C 13 55.680 55.287 0.393 1
1 90 . 12 1 1 A 13 13 MET CB C 13 32.925 32.542 0.383 1
1 91 . 12 1 1 A 13 13 MET N N 13 121.294 124.747 -3.453 1
1 92 . 12 1 1 A 14 14 THR H H 14 8.068 8.718 -0.650 1
1 93 . 12 1 1 A 14 14 THR HA H 14 4.333 4.514 -0.181 1
1 97 . 12 1 1 A 14 14 THR C C 14 174.246 173.696 0.550 1
1 98 . 12 1 1 A 14 14 THR CA C 14 61.770 62.024 -0.254 1
1 99 . 12 1 1 A 14 14 THR CB C 14 69.894 69.543 0.351 1
1 100 . 12 1 1 A 14 14 THR N N 14 115.254 120.184 -4.930 1
1 101 . 12 1 1 A 15 15 ALA H H 15 8.289 8.570 -0.281 1
1 102 . 12 1 1 A 15 15 ALA HA H 15 4.344 4.400 -0.056 1
1 106 . 12 1 1 A 15 15 ALA C C 15 178.080 176.661 1.419 1
1 107 . 12 1 1 A 15 15 ALA CA C 15 52.779 51.233 1.546 1
1 108 . 12 1 1 A 15 15 ALA CB C 15 19.286 18.282 1.004 1
1 109 . 12 1 1 A 15 15 ALA N N 15 126.372 129.587 -3.215 1
1 110 . 12 1 1 A 16 16 GLY H H 16 8.291 8.492 -0.201 1
1 111 . 12 1 1 A 16 16 GLY HA2 H 16 3.913 3.848 0.065 1
1 112 . 12 1 1 A 16 16 GLY C C 16 173.788 172.844 0.944 1
1 113 . 12 1 1 A 16 16 GLY CA C 16 45.298 46.936 -1.638 1
1 114 . 12 1 1 A 16 16 GLY N N 16 108.095 110.963 -2.868 1
1 115 . 12 1 1 A 17 17 ALA H H 17 8.000 8.265 -0.265 1
1 116 . 12 1 1 A 17 17 ALA HA H 17 4.292 5.091 -0.799 1
1 120 . 12 1 1 A 17 17 ALA C C 17 177.366 176.463 0.903 1
1 121 . 12 1 1 A 17 17 ALA CA C 17 52.518 50.446 2.072 1
1 122 . 12 1 1 A 17 17 ALA CB C 17 19.577 20.519 -0.942 1
1 123 . 12 1 1 A 17 17 ALA N N 17 123.370 126.304 -2.934 1
1 124 . 12 1 1 A 18 18 TYR H H 18 8.135 8.799 -0.664 1
1 125 . 12 1 1 A 18 18 TYR HA H 18 4.640 4.692 -0.052 1
1 129 . 12 1 1 A 18 18 TYR C C 18 176.031 175.338 0.693 1
1 130 . 12 1 1 A 18 18 TYR CA C 18 57.973 56.873 1.100 1
1 131 . 12 1 1 A 18 18 TYR CB C 18 38.661 36.386 2.275 1
1 132 . 12 1 1 A 18 18 TYR N N 18 119.212 122.494 -3.282 1
1 133 . 12 1 1 A 19 19 THR H H 19 7.912 8.654 -0.742 1
1 134 . 12 1 1 A 19 19 THR HA H 19 4.267 4.329 -0.062 1
1 139 . 12 1 1 A 19 19 THR C C 19 173.995 174.552 -0.557 1
1 140 . 12 1 1 A 19 19 THR CA C 19 61.848 63.960 -2.112 1
1 141 . 12 1 1 A 19 19 THR CB C 19 69.756 69.675 0.081 1
1 142 . 12 1 1 A 19 19 THR N N 19 115.764 119.308 -3.544 1
1 143 . 12 1 1 A 20 20 GLU H H 20 8.077 7.992 0.085 1
1 144 . 12 1 1 A 20 20 GLU HA H 20 4.301 4.701 -0.400 1
1 148 . 12 1 1 A 20 20 GLU C C 20 176.128 175.835 0.293 1
1 149 . 12 1 1 A 20 20 GLU CA C 20 56.312 56.132 0.180 1
1 150 . 12 1 1 A 20 20 GLU CB C 20 30.423 33.435 -3.012 1
1 152 . 12 1 1 A 20 20 GLU N N 20 122.553 116.484 6.069 1
1 153 . 12 1 1 A 21 21 GLY H H 21 7.966 8.610 -0.644 1
1 154 . 12 1 1 A 21 21 GLY HA2 H 21 3.903 3.994 -0.091 1
1 155 . 12 1 1 A 21 21 GLY CA C 21 44.257 44.977 -0.720 1
1 156 . 12 1 1 A 21 21 GLY N N 21 109.544 113.924 -4.380 1
1 157 . 12 1 1 A 22 22 PRO HA H 22 4.232 4.384 -0.152 1
1 164 . 12 1 1 A 22 22 PRO CA C 22 61.109 65.414 -4.305 1
1 165 . 12 1 1 A 22 22 PRO CB C 22 30.711 31.594 -0.883 1
1 168 . 12 1 1 A 23 23 PRO HA H 23 4.363 4.512 -0.149 1
1 174 . 12 1 1 A 23 23 PRO C C 23 176.567 177.346 -0.779 1
1 175 . 12 1 1 A 23 23 PRO CA C 23 62.733 63.062 -0.329 1
1 176 . 12 1 1 A 23 23 PRO CB C 23 32.048 31.940 0.108 1
1 179 . 12 1 1 A 24 24 GLN H H 24 8.286 8.682 -0.396 1
1 180 . 12 1 1 A 24 24 GLN HA H 24 4.479 4.766 -0.287 1
1 186 . 12 1 1 A 24 24 GLN CA C 24 53.763 54.231 -0.468 1
1 187 . 12 1 1 A 24 24 GLN CB C 24 28.800 27.645 1.155 1
1 189 . 12 1 1 A 24 24 GLN N N 24 121.215 120.935 0.280 1
1 191 . 12 1 1 A 25 25 PRO HA H 25 4.389 4.426 -0.037 1
1 198 . 12 1 1 A 25 25 PRO C C 25 176.707 177.007 -0.300 1
1 199 . 12 1 1 A 25 25 PRO CA C 25 62.867 63.190 -0.323 1
1 200 . 12 1 1 A 25 25 PRO CB C 25 32.174 31.845 0.329 1
1 203 . 12 1 1 A 26 26 LEU H H 26 8.244 8.292 -0.048 1
1 204 . 12 1 1 A 26 26 LEU HA H 26 4.405 4.361 0.044 1
1 214 . 12 1 1 A 26 26 LEU C C 26 177.517 176.525 0.992 1
1 215 . 12 1 1 A 26 26 LEU CA C 26 54.643 53.607 1.036 1
1 216 . 12 1 1 A 26 26 LEU CB C 26 43.618 43.521 0.097 1
1 220 . 12 1 1 A 26 26 LEU N N 26 122.745 119.723 3.022 1
1 221 . 12 1 1 A 27 27 SER H H 27 8.758 8.625 0.133 1
1 222 . 12 1 1 A 27 27 SER HA H 27 4.474 4.544 -0.070 1
1 225 . 12 1 1 A 27 27 SER C C 27 174.789 175.484 -0.695 1
1 226 . 12 1 1 A 27 27 SER CA C 27 57.461 58.535 -1.074 1
1 227 . 12 1 1 A 27 27 SER CB C 27 65.280 63.633 1.647 1
1 228 . 12 1 1 A 27 27 SER N N 27 117.967 116.216 1.751 1
1 229 . 12 1 1 A 28 28 ALA H H 28 8.841 8.937 -0.096 1
1 230 . 12 1 1 A 28 28 ALA HA H 28 4.037 3.973 0.064 1
1 234 . 12 1 1 A 28 28 ALA CA C 28 55.346 55.497 -0.151 1
1 235 . 12 1 1 A 28 28 ALA CB C 28 18.347 17.974 0.373 1
1 236 . 12 1 1 A 28 28 ALA N N 28 124.144 129.291 -5.147 1
1 237 . 12 1 1 A 29 29 GLU H H 29 8.565 8.162 0.403 1
1 238 . 12 1 1 A 29 29 GLU HA H 29 4.026 3.985 0.041 1
1 242 . 12 1 1 A 29 29 GLU C C 29 178.877 179.585 -0.708 1
1 243 . 12 1 1 A 29 29 GLU CA C 29 59.430 59.677 -0.247 1
1 244 . 12 1 1 A 29 29 GLU CB C 29 29.244 29.435 -0.191 1
1 246 . 12 1 1 A 29 29 GLU N N 29 117.527 117.833 -0.306 1
1 247 . 12 1 1 A 30 30 GLU H H 30 7.823 8.237 -0.414 1
1 248 . 12 1 1 A 30 30 GLU HA H 30 4.054 4.043 0.011 1
1 253 . 12 1 1 A 30 30 GLU C C 30 179.191 178.958 0.233 1
1 254 . 12 1 1 A 30 30 GLU CA C 30 59.037 59.236 -0.199 1
1 255 . 12 1 1 A 30 30 GLU CB C 30 30.102 29.068 1.034 1
1 257 . 12 1 1 A 30 30 GLU N N 30 120.773 120.807 -0.034 1
1 258 . 12 1 1 A 31 31 LYS H H 31 8.246 7.413 0.833 1
1 259 . 12 1 1 A 31 31 LYS HA H 31 3.844 4.104 -0.260 1
1 266 . 12 1 1 A 31 31 LYS C C 31 177.968 179.823 -1.855 1
1 267 . 12 1 1 A 31 31 LYS CA C 31 59.889 59.579 0.310 1
1 268 . 12 1 1 A 31 31 LYS CB C 31 32.350 32.374 -0.024 1
1 272 . 12 1 1 A 31 31 LYS N N 31 119.315 120.043 -0.728 1
1 273 . 12 1 1 A 32 32 LYS H H 32 7.698 7.874 -0.176 1
1 274 . 12 1 1 A 32 32 LYS HA H 32 4.043 3.955 0.088 1
1 282 . 12 1 1 A 32 32 LYS C C 32 178.848 180.023 -1.175 1
1 283 . 12 1 1 A 32 32 LYS CA C 32 59.479 60.012 -0.533 1
1 284 . 12 1 1 A 32 32 LYS CB C 32 32.459 32.245 0.214 1
1 288 . 12 1 1 A 32 32 LYS N N 32 118.195 119.504 -1.309 1
1 289 . 12 1 1 A 33 33 GLU H H 33 7.512 7.784 -0.272 1
1 290 . 12 1 1 A 33 33 GLU HA H 33 4.031 4.104 -0.073 1
1 295 . 12 1 1 A 33 33 GLU C C 33 178.989 179.567 -0.578 1
1 296 . 12 1 1 A 33 33 GLU CA C 33 59.157 58.813 0.344 1
1 297 . 12 1 1 A 33 33 GLU CB C 33 29.220 30.040 -0.820 1
1 299 . 12 1 1 A 33 33 GLU N N 33 118.459 120.067 -1.608 1
1 300 . 12 1 1 A 34 34 ILE H H 34 7.912 7.842 0.070 1
1 301 . 12 1 1 A 34 34 ILE HA H 34 3.503 3.850 -0.347 1
1 311 . 12 1 1 A 34 34 ILE C C 34 180.639 177.780 2.859 1
1 312 . 12 1 1 A 34 34 ILE CA C 34 65.305 64.005 1.300 1
1 313 . 12 1 1 A 34 34 ILE CB C 34 38.540 37.451 1.089 1
1 317 . 12 1 1 A 34 34 ILE N N 34 120.176 118.056 2.120 1
1 318 . 12 1 1 A 35 35 ASP H H 35 8.457 8.999 -0.542 1
1 319 . 12 1 1 A 35 35 ASP HA H 35 4.145 4.375 -0.230 1
1 322 . 12 1 1 A 35 35 ASP C C 35 178.790 179.295 -0.505 1
1 323 . 12 1 1 A 35 35 ASP CA C 35 58.322 57.156 1.166 1
1 324 . 12 1 1 A 35 35 ASP CB C 35 39.538 40.055 -0.517 1
1 325 . 12 1 1 A 35 35 ASP N N 35 123.589 121.981 1.608 1
1 326 . 12 1 1 A 36 36 LYS H H 36 7.573 7.903 -0.330 1
1 327 . 12 1 1 A 36 36 LYS HA H 36 4.187 4.039 0.148 1
1 334 . 12 1 1 A 36 36 LYS C C 36 176.400 178.252 -1.852 1
1 335 . 12 1 1 A 36 36 LYS CA C 36 58.656 59.487 -0.831 1
1 336 . 12 1 1 A 36 36 LYS CB C 36 32.991 32.625 0.366 1
1 340 . 12 1 1 A 36 36 LYS N N 36 117.506 120.270 -2.764 1
1 341 . 12 1 1 A 37 37 ARG H H 37 7.397 7.846 -0.449 1
1 342 . 12 1 1 A 37 37 ARG HA H 37 4.658 4.612 0.046 1
1 348 . 12 1 1 A 37 37 ARG C C 37 174.361 176.048 -1.687 1
1 349 . 12 1 1 A 37 37 ARG CA C 37 55.793 56.247 -0.454 1
1 350 . 12 1 1 A 37 37 ARG CB C 37 31.260 30.667 0.593 1
1 353 . 12 1 1 A 37 37 ARG N N 37 115.182 115.176 0.006 1
1 354 . 12 1 1 A 38 38 SER H H 38 7.416 7.689 -0.273 1
1 355 . 12 1 1 A 38 38 SER HA H 38 6.346 5.174 1.172 1
1 358 . 12 1 1 A 38 38 SER C C 38 173.807 174.176 -0.369 1
1 359 . 12 1 1 A 38 38 SER CA C 38 57.574 55.886 1.688 1
1 360 . 12 1 1 A 38 38 SER CB C 38 67.003 66.235 0.768 1
1 361 . 12 1 1 A 38 38 SER N N 38 112.872 113.438 -0.566 1
1 362 . 12 1 1 A 39 39 VAL H H 39 8.812 9.123 -0.311 1
1 363 . 12 1 1 A 39 39 VAL HA H 39 5.117 5.306 -0.189 1
1 371 . 12 1 1 A 39 39 VAL C C 39 174.519 173.224 1.295 1
1 372 . 12 1 1 A 39 39 VAL CA C 39 59.085 59.108 -0.023 1
1 373 . 12 1 1 A 39 39 VAL CB C 39 34.476 36.125 -1.649 1
1 376 . 12 1 1 A 39 39 VAL N N 39 111.961 116.188 -4.227 1
1 377 . 12 1 1 A 40 40 TYR H H 40 9.366 9.685 -0.319 1
1 378 . 12 1 1 A 40 40 TYR HA H 40 5.108 5.314 -0.206 1
1 385 . 12 1 1 A 40 40 TYR C C 40 172.976 173.841 -0.865 1
1 386 . 12 1 1 A 40 40 TYR CA C 40 56.633 55.745 0.888 1
1 387 . 12 1 1 A 40 40 TYR CB C 40 41.058 41.718 -0.660 1
1 390 . 12 1 1 A 40 40 TYR N N 40 123.743 124.647 -0.904 1
1 391 . 12 1 1 A 41 41 VAL H H 41 8.734 9.220 -0.486 1
1 392 . 12 1 1 A 41 41 VAL HA H 41 4.876 4.423 0.453 1
1 400 . 12 1 1 A 41 41 VAL C C 41 174.651 174.943 -0.292 1
1 401 . 12 1 1 A 41 41 VAL CA C 41 59.798 60.521 -0.723 1
1 402 . 12 1 1 A 41 41 VAL CB C 41 33.329 33.373 -0.044 1
1 405 . 12 1 1 A 41 41 VAL N N 41 127.436 126.806 0.630 1
1 406 . 12 1 1 A 42 42 GLY H H 42 9.669 8.670 0.999 1
1 407 . 12 1 1 A 42 42 GLY HA2 H 42 3.612 3.940 -0.328 1
1 408 . 12 1 1 A 42 42 GLY HA3 H 42 4.392 3.961 0.431 1
1 409 . 12 1 1 A 42 42 GLY C C 42 173.639 174.488 -0.849 1
1 410 . 12 1 1 A 42 42 GLY CA C 42 44.169 43.465 0.704 1
1 411 . 12 1 1 A 42 42 GLY N N 42 113.263 114.504 -1.241 1
1 412 . 12 1 1 A 43 43 ASN H H 43 8.412 8.986 -0.574 1
1 413 . 12 1 1 A 43 43 ASN HA H 43 4.510 4.363 0.147 1
1 418 . 12 1 1 A 43 43 ASN C C 43 174.364 174.536 -0.172 1
1 419 . 12 1 1 A 43 43 ASN CA C 43 53.557 53.977 -0.420 1
1 420 . 12 1 1 A 43 43 ASN CB C 43 37.283 37.096 0.187 1
1 421 . 12 1 1 A 43 43 ASN N N 43 115.451 119.023 -3.572 1
1 423 . 12 1 1 A 44 44 VAL H H 44 7.083 7.787 -0.704 1
1 424 . 12 1 1 A 44 44 VAL HA H 44 3.975 4.840 -0.865 1
1 432 . 12 1 1 A 44 44 VAL C C 44 175.885 173.888 1.997 1
1 433 . 12 1 1 A 44 44 VAL CA C 44 61.614 59.616 1.998 1
1 434 . 12 1 1 A 44 44 VAL CB C 44 32.914 34.615 -1.701 1
1 437 . 12 1 1 A 44 44 VAL N N 44 115.399 120.196 -4.797 1
1 438 . 12 1 1 A 45 45 ASP H H 45 8.305 8.919 -0.614 1
1 439 . 12 1 1 A 45 45 ASP HA H 45 4.467 5.078 -0.611 1
1 442 . 12 1 1 A 45 45 ASP C C 45 177.205 175.819 1.386 1
1 443 . 12 1 1 A 45 45 ASP CA C 45 54.613 52.971 1.642 1
1 444 . 12 1 1 A 45 45 ASP CB C 45 43.657 44.209 -0.552 1
1 445 . 12 1 1 A 45 45 ASP N N 45 124.440 127.392 -2.952 1
1 446 . 12 1 1 A 46 46 TYR H H 46 8.715 8.692 0.023 1
1 447 . 12 1 1 A 46 46 TYR HA H 46 4.483 4.313 0.170 1
1 454 . 12 1 1 A 46 46 TYR C C 46 175.453 176.613 -1.160 1
1 455 . 12 1 1 A 46 46 TYR CA C 46 59.464 59.476 -0.012 1
1 456 . 12 1 1 A 46 46 TYR CB C 46 38.753 38.338 0.415 1
1 458 . 12 1 1 A 46 46 TYR N N 46 125.588 120.140 5.448 1
1 459 . 12 1 1 A 47 47 GLY H H 47 8.387 8.266 0.121 1
1 460 . 12 1 1 A 47 47 GLY HA2 H 47 3.561 4.026 -0.465 1
1 461 . 12 1 1 A 47 47 GLY HA3 H 47 4.348 4.050 0.298 1
1 462 . 12 1 1 A 47 47 GLY C C 47 173.578 174.438 -0.860 1
1 463 . 12 1 1 A 47 47 GLY CA C 47 44.965 45.511 -0.546 1
1 464 . 12 1 1 A 47 47 GLY N N 47 106.974 112.011 -5.037 1
1 465 . 12 1 1 A 48 48 SER H H 48 7.417 7.850 -0.433 1
1 466 . 12 1 1 A 48 48 SER HA H 48 4.428 4.671 -0.243 1
1 468 . 12 1 1 A 48 48 SER C C 48 173.220 174.396 -1.176 1
1 469 . 12 1 1 A 48 48 SER CA C 48 59.892 58.584 1.308 1
1 470 . 12 1 1 A 48 48 SER CB C 48 64.519 64.855 -0.336 1
1 471 . 12 1 1 A 48 48 SER N N 48 115.423 116.468 -1.045 1
1 472 . 12 1 1 A 49 49 THR H H 49 8.474 8.777 -0.303 1
1 473 . 12 1 1 A 49 49 THR HA H 49 4.660 4.965 -0.305 1
1 478 . 12 1 1 A 49 49 THR C C 49 175.940 175.720 0.220 1
1 479 . 12 1 1 A 49 49 THR CA C 49 58.831 59.866 -1.035 1
1 480 . 12 1 1 A 49 49 THR CB C 49 72.585 72.284 0.301 1
1 482 . 12 1 1 A 49 49 THR N N 49 112.103 113.278 -1.175 1
1 483 . 12 1 1 A 50 50 ALA H H 50 9.723 8.970 0.753 1
1 484 . 12 1 1 A 50 50 ALA HA H 50 3.923 4.006 -0.083 1
1 488 . 12 1 1 A 50 50 ALA C C 50 179.045 179.571 -0.526 1
1 489 . 12 1 1 A 50 50 ALA CA C 50 55.643 55.422 0.221 1
1 490 . 12 1 1 A 50 50 ALA CB C 50 18.259 18.027 0.232 1
1 491 . 12 1 1 A 50 50 ALA N N 50 123.988 124.056 -0.068 1
1 492 . 12 1 1 A 51 51 GLN H H 51 7.730 8.093 -0.363 1
1 493 . 12 1 1 A 51 51 GLN HA H 51 3.940 3.979 -0.039 1
1 500 . 12 1 1 A 51 51 GLN C C 51 178.215 177.624 0.591 1
1 501 . 12 1 1 A 51 51 GLN CA C 51 59.096 59.020 0.076 1
1 502 . 12 1 1 A 51 51 GLN CB C 51 28.508 28.093 0.415 1
1 504 . 12 1 1 A 51 51 GLN N N 51 116.375 117.999 -1.624 1
1 505 . 12 1 1 A 52 52 ASP H H 52 8.273 8.124 0.149 1
1 506 . 12 1 1 A 52 52 ASP HA H 52 4.587 4.486 0.101 1
1 507 . 12 1 1 A 52 52 ASP C C 52 179.837 178.994 0.843 1
1 508 . 12 1 1 A 52 52 ASP CA C 52 57.556 57.285 0.271 1
1 509 . 12 1 1 A 52 52 ASP CB C 52 41.057 41.132 -0.075 1
1 510 . 12 1 1 A 52 52 ASP N N 52 120.755 120.127 0.628 1
1 511 . 12 1 1 A 53 53 LEU H H 53 7.855 8.393 -0.538 1
1 512 . 12 1 1 A 53 53 LEU HA H 53 3.933 4.032 -0.099 1
1 522 . 12 1 1 A 53 53 LEU C C 53 178.463 179.205 -0.742 1
1 523 . 12 1 1 A 53 53 LEU CA C 53 58.367 58.074 0.293 1
1 524 . 12 1 1 A 53 53 LEU CB C 53 42.646 41.048 1.598 1
1 528 . 12 1 1 A 53 53 LEU N N 53 122.035 119.648 2.387 1
1 529 . 12 1 1 A 54 54 GLU H H 54 8.804 8.660 0.144 1
1 530 . 12 1 1 A 54 54 GLU HA H 54 3.745 4.081 -0.336 1
1 534 . 12 1 1 A 54 54 GLU C C 54 178.467 178.829 -0.362 1
1 535 . 12 1 1 A 54 54 GLU CA C 54 59.833 59.137 0.696 1
1 536 . 12 1 1 A 54 54 GLU CB C 54 29.238 29.762 -0.524 1
1 538 . 12 1 1 A 54 54 GLU N N 54 120.472 118.377 2.095 1
1 539 . 12 1 1 A 55 55 ALA H H 55 8.098 7.794 0.304 1
1 540 . 12 1 1 A 55 55 ALA HA H 55 4.249 4.213 0.036 1
1 544 . 12 1 1 A 55 55 ALA C C 55 180.711 180.010 0.701 1
1 545 . 12 1 1 A 55 55 ALA CA C 55 55.077 55.135 -0.058 1
1 546 . 12 1 1 A 55 55 ALA CB C 55 18.164 18.854 -0.690 1
1 547 . 12 1 1 A 55 55 ALA N N 55 119.302 122.588 -3.286 1
1 548 . 12 1 1 A 56 56 HIS H H 56 7.927 7.655 0.272 1
1 549 . 12 1 1 A 56 56 HIS HA H 56 4.281 4.270 0.011 1
1 553 . 12 1 1 A 56 56 HIS C C 56 176.342 177.109 -0.767 1
1 554 . 12 1 1 A 56 56 HIS CA C 56 59.362 59.253 0.109 1
1 555 . 12 1 1 A 56 56 HIS CB C 56 31.200 29.434 1.766 1
1 556 . 12 1 1 A 56 56 HIS N N 56 117.016 118.260 -1.244 1
1 557 . 12 1 1 A 57 57 PHE H H 57 7.811 7.943 -0.132 1
1 558 . 12 1 1 A 57 57 PHE HA H 57 4.554 4.403 0.151 1
1 565 . 12 1 1 A 57 57 PHE C C 57 177.301 177.992 -0.691 1
1 566 . 12 1 1 A 57 57 PHE CA C 57 59.480 61.734 -2.254 1
1 567 . 12 1 1 A 57 57 PHE CB C 57 40.432 38.940 1.492 1
1 571 . 12 1 1 A 57 57 PHE N N 57 111.423 115.464 -4.041 1
1 572 . 12 1 1 A 58 58 SER H H 58 8.126 8.514 -0.388 1
1 573 . 12 1 1 A 58 58 SER HA H 58 4.468 4.553 -0.085 1
1 575 . 12 1 1 A 58 58 SER C C 58 176.676 177.189 -0.513 1
1 576 . 12 1 1 A 58 58 SER CA C 58 62.159 61.439 0.720 1
1 577 . 12 1 1 A 58 58 SER N N 58 118.439 116.262 2.177 1
1 578 . 12 1 1 A 59 59 SER H H 59 8.422 7.708 0.714 1
1 579 . 12 1 1 A 59 59 SER HA H 59 4.291 4.300 -0.009 1
1 581 . 12 1 1 A 59 59 SER C C 59 175.955 174.791 1.164 1
1 582 . 12 1 1 A 59 59 SER CA C 59 60.277 61.401 -1.124 1
1 583 . 12 1 1 A 59 59 SER CB C 59 62.444 63.071 -0.627 1
1 584 . 12 1 1 A 59 59 SER N N 59 116.618 116.519 0.099 1
1 585 . 12 1 1 A 60 60 CYS H H 60 8.226 7.962 0.264 1
1 586 . 12 1 1 A 60 60 CYS HA H 60 4.067 4.474 -0.407 1
1 589 . 12 1 1 A 60 60 CYS C C 60 174.682 174.246 0.436 1
1 590 . 12 1 1 A 60 60 CYS CA C 60 60.683 59.630 1.053 1
1 591 . 12 1 1 A 60 60 CYS CB C 60 28.894 28.589 0.305 1
1 592 . 12 1 1 A 60 60 CYS N N 60 118.900 117.128 1.772 1
1 593 . 12 1 1 A 61 61 GLY H H 61 7.414 7.344 0.070 1
1 594 . 12 1 1 A 61 61 GLY HA2 H 61 3.887 4.001 -0.114 1
1 595 . 12 1 1 A 61 61 GLY HA3 H 61 4.489 4.081 0.408 1
1 596 . 12 1 1 A 61 61 GLY C C 61 171.619 172.346 -0.727 1
1 597 . 12 1 1 A 61 61 GLY CA C 61 44.000 44.728 -0.728 1
1 598 . 12 1 1 A 61 61 GLY N N 61 106.320 108.962 -2.642 1
1 599 . 12 1 1 A 62 62 SER H H 62 8.182 8.444 -0.262 1
1 600 . 12 1 1 A 62 62 SER HA H 62 4.420 5.116 -0.696 1
1 603 . 12 1 1 A 62 62 SER C C 62 175.295 174.276 1.019 1
1 604 . 12 1 1 A 62 62 SER CA C 62 59.839 58.512 1.327 1
1 605 . 12 1 1 A 62 62 SER CB C 62 63.617 63.922 -0.305 1
1 606 . 12 1 1 A 62 62 SER N N 62 112.485 117.147 -4.662 1
1 607 . 12 1 1 A 63 63 ILE H H 63 8.857 8.927 -0.070 1
1 608 . 12 1 1 A 63 63 ILE HA H 63 4.007 4.066 -0.059 1
1 618 . 12 1 1 A 63 63 ILE C C 63 175.045 175.992 -0.947 1
1 619 . 12 1 1 A 63 63 ILE CA C 63 61.979 62.404 -0.425 1
1 620 . 12 1 1 A 63 63 ILE CB C 63 41.048 37.947 3.101 1
1 624 . 12 1 1 A 63 63 ILE N N 63 127.966 127.397 0.569 1
1 625 . 12 1 1 A 64 64 ASN H H 64 8.897 9.513 -0.616 1
1 626 . 12 1 1 A 64 64 ASN HA H 64 4.667 4.828 -0.161 1
1 631 . 12 1 1 A 64 64 ASN C C 64 174.686 174.489 0.197 1
1 632 . 12 1 1 A 64 64 ASN CA C 64 53.627 54.650 -1.023 1
1 633 . 12 1 1 A 64 64 ASN CB C 64 40.062 40.259 -0.197 1
1 634 . 12 1 1 A 64 64 ASN N N 64 124.997 126.017 -1.020 1
1 636 . 12 1 1 A 65 65 ARG H H 65 7.419 7.685 -0.266 1
1 637 . 12 1 1 A 65 65 ARG HA H 65 5.155 4.917 0.238 1
1 645 . 12 1 1 A 65 65 ARG C C 65 173.788 174.198 -0.410 1
1 646 . 12 1 1 A 65 65 ARG CA C 65 55.703 54.872 0.831 1
1 647 . 12 1 1 A 65 65 ARG CB C 65 35.408 35.059 0.349 1
1 650 . 12 1 1 A 65 65 ARG N N 65 116.737 115.988 0.749 1
1 652 . 12 1 1 A 66 66 ILE H H 66 8.681 8.640 0.041 1
1 653 . 12 1 1 A 66 66 ILE HA H 66 4.574 5.175 -0.601 1
1 663 . 12 1 1 A 66 66 ILE C C 66 173.717 174.201 -0.484 1
1 664 . 12 1 1 A 66 66 ILE CA C 66 61.049 59.081 1.968 1
1 665 . 12 1 1 A 66 66 ILE CB C 66 42.988 42.355 0.633 1
1 669 . 12 1 1 A 66 66 ILE N N 66 123.359 117.177 6.182 1
1 670 . 12 1 1 A 67 67 THR H H 67 8.861 8.969 -0.108 1
1 671 . 12 1 1 A 67 67 THR HA H 67 5.378 5.185 0.193 1
1 676 . 12 1 1 A 67 67 THR C C 67 173.526 173.554 -0.028 1
1 677 . 12 1 1 A 67 67 THR CA C 67 61.112 61.769 -0.657 1
1 678 . 12 1 1 A 67 67 THR CB C 67 70.857 70.556 0.301 1
1 680 . 12 1 1 A 67 67 THR N N 67 124.375 118.446 5.929 1
1 681 . 12 1 1 A 68 68 ILE H H 68 9.768 9.090 0.678 1
1 682 . 12 1 1 A 68 68 ILE HA H 68 4.333 4.755 -0.422 1
1 692 . 12 1 1 A 68 68 ILE C C 68 173.743 175.005 -1.262 1
1 693 . 12 1 1 A 68 68 ILE CA C 68 61.237 60.179 1.058 1
1 694 . 12 1 1 A 68 68 ILE CB C 68 40.908 40.528 0.380 1
1 698 . 12 1 1 A 68 68 ILE N N 68 127.340 127.842 -0.502 1
1 699 . 12 1 1 A 69 69 LEU H H 69 9.045 9.047 -0.002 1
1 700 . 12 1 1 A 69 69 LEU HA H 69 5.074 5.066 0.008 1
1 710 . 12 1 1 A 69 69 LEU C C 69 175.502 175.191 0.311 1
1 711 . 12 1 1 A 69 69 LEU CA C 69 55.186 52.898 2.288 1
1 712 . 12 1 1 A 69 69 LEU CB C 69 42.702 44.815 -2.113 1
1 716 . 12 1 1 A 69 69 LEU N N 69 128.686 125.149 3.537 1
1 717 . 12 1 1 A 70 70 CYS H H 70 8.767 8.793 -0.026 1
1 718 . 12 1 1 A 70 70 CYS HA H 70 5.237 5.635 -0.398 1
1 720 . 12 1 1 A 70 70 CYS C C 70 173.558 172.294 1.264 1
1 721 . 12 1 1 A 70 70 CYS CA C 70 57.609 56.797 0.812 1
1 722 . 12 1 1 A 70 70 CYS CB C 70 29.830 29.196 0.634 1
1 723 . 12 1 1 A 70 70 CYS N N 70 120.856 120.534 0.322 1
1 724 . 12 1 1 A 71 71 ASP H H 71 9.109 9.255 -0.146 1
1 725 . 12 1 1 A 71 71 ASP HA H 71 5.193 5.328 -0.135 1
1 728 . 12 1 1 A 71 71 ASP C C 71 175.440 175.383 0.057 1
1 729 . 12 1 1 A 71 71 ASP CA C 71 53.705 52.699 1.006 1
1 730 . 12 1 1 A 71 71 ASP CB C 71 44.774 44.432 0.342 1
1 731 . 12 1 1 A 71 71 ASP N N 71 124.936 125.269 -0.333 1
1 732 . 12 1 1 A 72 72 LYS H H 72 8.262 8.756 -0.494 1
1 733 . 12 1 1 A 72 72 LYS HA H 72 4.553 4.609 -0.056 1
1 740 . 12 1 1 A 72 72 LYS C C 72 177.732 177.052 0.680 1
1 741 . 12 1 1 A 72 72 LYS CA C 72 55.608 55.456 0.152 1
1 742 . 12 1 1 A 72 72 LYS CB C 72 32.469 33.820 -1.351 1
1 745 . 12 1 1 A 72 72 LYS N N 72 120.339 126.457 -6.118 1
1 746 . 12 1 1 A 73 73 PHE H H 73 8.663 8.213 0.450 1
1 747 . 12 1 1 A 73 73 PHE HA H 73 4.357 4.391 -0.034 1
1 752 . 12 1 1 A 73 73 PHE C C 73 177.148 176.465 0.683 1
1 753 . 12 1 1 A 73 73 PHE CA C 73 60.214 59.974 0.240 1
1 754 . 12 1 1 A 73 73 PHE CB C 73 39.157 37.546 1.611 1
1 756 . 12 1 1 A 73 73 PHE N N 73 121.961 119.232 2.729 1
1 757 . 12 1 1 A 74 74 SER H H 74 8.780 7.485 1.295 1
1 758 . 12 1 1 A 74 74 SER HA H 74 4.353 4.697 -0.344 1
1 760 . 12 1 1 A 74 74 SER C C 74 174.810 174.542 0.268 1
1 761 . 12 1 1 A 74 74 SER CA C 74 58.965 58.640 0.325 1
1 762 . 12 1 1 A 74 74 SER CB C 74 63.650 63.436 0.214 1
1 763 . 12 1 1 A 74 74 SER N N 74 114.021 114.990 -0.969 1
1 764 . 12 1 1 A 75 75 GLY H H 75 8.004 8.321 -0.317 1
1 765 . 12 1 1 A 75 75 GLY HA2 H 75 3.635 4.047 -0.412 1
1 766 . 12 1 1 A 75 75 GLY HA3 H 75 4.221 4.086 0.135 1
1 767 . 12 1 1 A 75 75 GLY C C 75 173.254 174.512 -1.258 1
1 768 . 12 1 1 A 75 75 GLY CA C 75 45.162 45.412 -0.250 1
1 769 . 12 1 1 A 75 75 GLY N N 75 108.714 108.260 0.454 1
1 770 . 12 1 1 A 76 76 HIS H H 76 7.670 8.007 -0.337 1
1 771 . 12 1 1 A 76 76 HIS HA H 76 5.020 4.762 0.258 1
1 775 . 12 1 1 A 76 76 HIS CA C 76 52.522 54.015 -1.493 1
1 776 . 12 1 1 A 76 76 HIS CB C 76 29.410 30.657 -1.247 1
1 777 . 12 1 1 A 76 76 HIS N N 76 118.164 119.150 -0.986 1
1 778 . 12 1 1 A 77 77 PRO HA H 77 4.551 5.006 -0.455 1
1 784 . 12 1 1 A 77 77 PRO C C 77 176.458 176.275 0.183 1
1 785 . 12 1 1 A 77 77 PRO CA C 77 63.263 62.699 0.564 1
1 786 . 12 1 1 A 77 77 PRO CB C 77 32.077 32.008 0.069 1
1 789 . 12 1 1 A 78 78 LYS H H 78 8.846 9.169 -0.323 1
1 790 . 12 1 1 A 78 78 LYS HA H 78 4.772 4.911 -0.139 1
1 796 . 12 1 1 A 78 78 LYS CA C 78 55.964 55.141 0.823 1
1 797 . 12 1 1 A 78 78 LYS CB C 78 35.816 34.666 1.150 1
1 799 . 12 1 1 A 78 78 LYS N N 78 124.197 122.898 1.299 1
1 800 . 12 1 1 A 79 79 GLY H H 79 8.352 8.370 -0.018 1
1 801 . 12 1 1 A 79 79 GLY HA2 H 79 3.871 4.106 -0.235 1
1 802 . 12 1 1 A 79 79 GLY HA3 H 79 5.451 4.164 1.287 1
1 803 . 12 1 1 A 79 79 GLY C C 79 173.400 172.378 1.022 1
1 804 . 12 1 1 A 79 79 GLY CA C 79 45.189 43.911 1.278 1
1 805 . 12 1 1 A 79 79 GLY N N 79 109.568 109.662 -0.094 1
1 806 . 12 1 1 A 80 80 TYR H H 80 8.856 8.667 0.189 1
1 807 . 12 1 1 A 80 80 TYR HA H 80 4.940 5.242 -0.302 1
1 814 . 12 1 1 A 80 80 TYR C C 80 171.720 172.654 -0.934 1
1 815 . 12 1 1 A 80 80 TYR CA C 80 56.267 56.396 -0.129 1
1 816 . 12 1 1 A 80 80 TYR CB C 80 40.003 41.899 -1.896 1
1 818 . 12 1 1 A 80 80 TYR N N 80 120.052 116.726 3.326 1
1 819 . 12 1 1 A 81 81 ALA H H 81 9.215 8.927 0.288 1
1 820 . 12 1 1 A 81 81 ALA HA H 81 5.386 5.377 0.009 1
1 824 . 12 1 1 A 81 81 ALA C C 81 175.357 175.129 0.228 1
1 825 . 12 1 1 A 81 81 ALA CA C 81 50.089 50.252 -0.163 1
1 826 . 12 1 1 A 81 81 ALA CB C 81 24.030 23.466 0.564 1
1 827 . 12 1 1 A 81 81 ALA N N 81 120.138 122.283 -2.145 1
1 828 . 12 1 1 A 82 82 TYR H H 82 8.974 9.506 -0.532 1
1 829 . 12 1 1 A 82 82 TYR HA H 82 5.885 5.393 0.492 1
1 836 . 12 1 1 A 82 82 TYR C C 82 176.232 174.299 1.933 1
1 837 . 12 1 1 A 82 82 TYR CA C 82 55.626 56.788 -1.162 1
1 838 . 12 1 1 A 82 82 TYR CB C 82 41.536 40.679 0.857 1
1 839 . 12 1 1 A 82 82 TYR N N 82 114.621 118.491 -3.870 1
1 840 . 12 1 1 A 83 83 ILE H H 83 8.644 8.573 0.071 1
1 841 . 12 1 1 A 83 83 ILE HA H 83 4.275 4.500 -0.225 1
1 851 . 12 1 1 A 83 83 ILE C C 83 173.516 174.848 -1.332 1
1 852 . 12 1 1 A 83 83 ILE CA C 83 60.345 59.711 0.634 1
1 853 . 12 1 1 A 83 83 ILE CB C 83 39.535 37.869 1.666 1
1 857 . 12 1 1 A 83 83 ILE N N 83 122.447 124.553 -2.106 1
1 858 . 12 1 1 A 84 84 GLU H H 84 8.612 9.217 -0.605 1
1 859 . 12 1 1 A 84 84 GLU HA H 84 4.801 4.864 -0.063 1
1 862 . 12 1 1 A 84 84 GLU C C 84 176.111 175.439 0.672 1
1 863 . 12 1 1 A 84 84 GLU CA C 84 54.496 54.767 -0.271 1
1 864 . 12 1 1 A 84 84 GLU CB C 84 31.499 32.042 -0.543 1
1 865 . 12 1 1 A 84 84 GLU N N 84 127.346 126.793 0.553 1
1 866 . 12 1 1 A 85 85 PHE H H 85 9.087 9.172 -0.085 1
1 867 . 12 1 1 A 85 85 PHE HA H 85 4.817 4.889 -0.072 1
1 875 . 12 1 1 A 85 85 PHE C C 85 174.422 176.815 -2.393 1
1 876 . 12 1 1 A 85 85 PHE CA C 85 59.072 57.714 1.358 1
1 877 . 12 1 1 A 85 85 PHE CB C 85 40.765 41.380 -0.615 1
1 878 . 12 1 1 A 85 85 PHE N N 85 128.049 122.923 5.126 1
1 879 . 12 1 1 A 86 86 ALA H H 86 8.192 9.104 -0.912 1
1 880 . 12 1 1 A 86 86 ALA HA H 86 4.239 4.280 -0.041 1
1 884 . 12 1 1 A 86 86 ALA C C 86 178.143 177.655 0.488 1
1 885 . 12 1 1 A 86 86 ALA CA C 86 54.524 54.241 0.283 1
1 886 . 12 1 1 A 86 86 ALA CB C 86 19.510 19.765 -0.255 1
1 887 . 12 1 1 A 86 86 ALA N N 86 120.669 122.753 -2.084 1
1 888 . 12 1 1 A 87 87 GLU H H 87 8.455 8.085 0.370 1
1 889 . 12 1 1 A 87 87 GLU HA H 87 4.765 4.729 0.036 1
1 893 . 12 1 1 A 87 87 GLU C C 87 176.472 176.780 -0.308 1
1 894 . 12 1 1 A 87 87 GLU CA C 87 54.353 55.233 -0.880 1
1 895 . 12 1 1 A 87 87 GLU CB C 87 32.624 32.706 -0.082 1
1 897 . 12 1 1 A 87 87 GLU N N 87 114.204 116.975 -2.771 1
1 898 . 12 1 1 A 88 88 ARG H H 88 8.917 8.921 -0.004 1
1 899 . 12 1 1 A 88 88 ARG HA H 88 3.961 3.946 0.015 1
1 905 . 12 1 1 A 88 88 ARG C C 88 178.900 178.292 0.608 1
1 906 . 12 1 1 A 88 88 ARG CA C 88 59.548 59.787 -0.239 1
1 907 . 12 1 1 A 88 88 ARG CB C 88 30.073 29.780 0.293 1
1 910 . 12 1 1 A 88 88 ARG N N 88 121.592 123.550 -1.958 1
1 911 . 12 1 1 A 89 89 ASN H H 89 8.845 8.018 0.827 1
1 912 . 12 1 1 A 89 89 ASN HA H 89 4.497 4.450 0.047 1
1 916 . 12 1 1 A 89 89 ASN C C 89 177.179 177.987 -0.808 1
1 917 . 12 1 1 A 89 89 ASN CA C 89 55.861 55.946 -0.085 1
1 918 . 12 1 1 A 89 89 ASN CB C 89 37.330 38.240 -0.910 1
1 919 . 12 1 1 A 89 89 ASN N N 89 116.555 118.447 -1.892 1
1 921 . 12 1 1 A 90 90 SER H H 90 7.513 8.086 -0.573 1
1 922 . 12 1 1 A 90 90 SER HA H 90 4.006 4.448 -0.442 1
1 925 . 12 1 1 A 90 90 SER C C 90 174.511 175.694 -1.183 1
1 926 . 12 1 1 A 90 90 SER CA C 90 61.395 62.242 -0.847 1
1 927 . 12 1 1 A 90 90 SER CB C 90 63.424 62.542 0.882 1
1 928 . 12 1 1 A 90 90 SER N N 90 116.007 118.104 -2.097 1
1 929 . 12 1 1 A 91 91 VAL H H 91 7.653 7.575 0.078 1
1 930 . 12 1 1 A 91 91 VAL HA H 91 3.201 3.687 -0.486 1
1 938 . 12 1 1 A 91 91 VAL C C 91 176.991 177.265 -0.274 1
1 939 . 12 1 1 A 91 91 VAL CA C 91 66.851 65.102 1.749 1
1 940 . 12 1 1 A 91 91 VAL CB C 91 31.599 31.409 0.190 1
1 943 . 12 1 1 A 91 91 VAL N N 91 119.934 119.596 0.338 1
1 944 . 12 1 1 A 92 92 ASP H H 92 7.192 8.400 -1.208 1
1 945 . 12 1 1 A 92 92 ASP HA H 92 4.321 4.335 -0.014 1
1 947 . 12 1 1 A 92 92 ASP C C 92 178.585 177.890 0.695 1
1 948 . 12 1 1 A 92 92 ASP CA C 92 57.401 57.394 0.007 1
1 949 . 12 1 1 A 92 92 ASP CB C 92 40.078 41.838 -1.760 1
1 950 . 12 1 1 A 92 92 ASP N N 92 117.084 121.509 -4.425 1
1 951 . 12 1 1 A 93 93 ALA H H 93 6.946 7.849 -0.903 1
1 952 . 12 1 1 A 93 93 ALA HA H 93 4.186 4.180 0.006 1
1 956 . 12 1 1 A 93 93 ALA C C 93 179.272 179.892 -0.620 1
1 957 . 12 1 1 A 93 93 ALA CA C 93 54.445 54.656 -0.211 1
1 958 . 12 1 1 A 93 93 ALA CB C 93 18.164 18.232 -0.068 1
1 959 . 12 1 1 A 93 93 ALA N N 93 121.045 120.769 0.276 1
1 960 . 12 1 1 A 94 94 ALA H H 94 8.033 7.718 0.315 1
1 961 . 12 1 1 A 94 94 ALA HA H 94 4.545 4.210 0.335 1
1 965 . 12 1 1 A 94 94 ALA C C 94 180.529 179.541 0.988 1
1 966 . 12 1 1 A 94 94 ALA CA C 94 55.518 55.208 0.310 1
1 967 . 12 1 1 A 94 94 ALA CB C 94 19.455 18.748 0.707 1
1 968 . 12 1 1 A 94 94 ALA N N 94 122.191 120.375 1.816 1
1 969 . 12 1 1 A 95 95 VAL H H 95 8.565 8.481 0.084 1
1 970 . 12 1 1 A 95 95 VAL HA H 95 3.741 3.926 -0.185 1
1 978 . 12 1 1 A 95 95 VAL C C 95 178.767 177.759 1.008 1
1 979 . 12 1 1 A 95 95 VAL CA C 95 65.820 64.834 0.986 1
1 980 . 12 1 1 A 95 95 VAL CB C 95 31.501 31.480 0.021 1
1 983 . 12 1 1 A 95 95 VAL N N 95 117.405 116.489 0.916 1
1 984 . 12 1 1 A 96 96 ALA H H 96 7.354 7.992 -0.638 1
1 985 . 12 1 1 A 96 96 ALA HA H 96 4.403 4.204 0.199 1
1 989 . 12 1 1 A 96 96 ALA C C 96 178.242 178.221 0.021 1
1 990 . 12 1 1 A 96 96 ALA CA C 96 53.916 53.964 -0.048 1
1 991 . 12 1 1 A 96 96 ALA CB C 96 17.841 18.315 -0.474 1
1 992 . 12 1 1 A 96 96 ALA N N 96 122.769 123.734 -0.965 1
1 993 . 12 1 1 A 97 97 MET H H 97 7.980 7.931 0.049 1
1 994 . 12 1 1 A 97 97 MET HA H 97 4.471 4.812 -0.341 1
1 1002 . 12 1 1 A 97 97 MET C C 97 175.959 176.395 -0.436 1
1 1003 . 12 1 1 A 97 97 MET CA C 97 55.150 54.636 0.514 1
1 1004 . 12 1 1 A 97 97 MET CB C 97 31.663 32.966 -1.303 1
1 1007 . 12 1 1 A 97 97 MET N N 97 115.573 116.234 -0.661 1
1 1008 . 12 1 1 A 98 98 ASP H H 98 7.852 8.184 -0.332 1
1 1009 . 12 1 1 A 98 98 ASP HA H 98 4.422 4.439 -0.017 1
1 1012 . 12 1 1 A 98 98 ASP C C 98 175.976 176.488 -0.512 1
1 1013 . 12 1 1 A 98 98 ASP CA C 98 57.476 57.212 0.264 1
1 1014 . 12 1 1 A 98 98 ASP CB C 98 42.008 40.668 1.340 1
1 1015 . 12 1 1 A 98 98 ASP N N 98 121.576 120.494 1.082 1
1 1016 . 12 1 1 A 99 99 GLU H H 99 8.643 7.868 0.775 1
1 1017 . 12 1 1 A 99 99 GLU HA H 99 4.154 4.741 -0.587 1
1 1022 . 12 1 1 A 99 99 GLU C C 99 176.369 175.053 1.316 1
1 1023 . 12 1 1 A 99 99 GLU CA C 99 58.403 55.273 3.130 1
1 1024 . 12 1 1 A 99 99 GLU CB C 99 26.214 30.727 -4.513 1
1 1026 . 12 1 1 A 99 99 GLU N N 99 119.455 118.793 0.662 1
1 1027 . 12 1 1 A 100 100 THR H H 100 7.416 8.475 -1.059 1
1 1028 . 12 1 1 A 100 100 THR HA H 100 4.498 5.145 -0.647 1
1 1033 . 12 1 1 A 100 100 THR C C 100 172.876 171.853 1.023 1
1 1034 . 12 1 1 A 100 100 THR CA C 100 61.065 59.897 1.168 1
1 1035 . 12 1 1 A 100 100 THR CB C 100 72.140 72.681 -0.541 1
1 1037 . 12 1 1 A 100 100 THR N N 100 107.670 117.648 -9.978 1
1 1038 . 12 1 1 A 101 101 VAL H H 101 8.252 8.953 -0.701 1
1 1039 . 12 1 1 A 101 101 VAL HA H 101 4.638 5.083 -0.445 1
1 1047 . 12 1 1 A 101 101 VAL C C 101 176.138 173.804 2.334 1
1 1048 . 12 1 1 A 101 101 VAL CA C 101 62.299 59.972 2.327 1
1 1049 . 12 1 1 A 101 101 VAL CB C 101 32.215 33.862 -1.647 1
1 1052 . 12 1 1 A 101 101 VAL N N 101 118.227 121.566 -3.339 1
1 1053 . 12 1 1 A 102 102 PHE H H 102 9.300 9.299 0.001 1
1 1054 . 12 1 1 A 102 102 PHE HA H 102 4.671 4.779 -0.108 1
1 1061 . 12 1 1 A 102 102 PHE C C 102 174.216 175.101 -0.885 1
1 1062 . 12 1 1 A 102 102 PHE CA C 102 56.205 57.235 -1.030 1
1 1063 . 12 1 1 A 102 102 PHE CB C 102 41.707 41.336 0.371 1
1 1064 . 12 1 1 A 102 102 PHE N N 102 128.863 130.934 -2.071 1
1 1065 . 12 1 1 A 103 103 ARG H H 103 9.167 8.880 0.287 1
1 1066 . 12 1 1 A 103 103 ARG HA H 103 3.389 3.716 -0.327 1
1 1075 . 12 1 1 A 103 103 ARG C C 103 176.014 175.316 0.698 1
1 1076 . 12 1 1 A 103 103 ARG CA C 103 57.215 56.738 0.477 1
1 1077 . 12 1 1 A 103 103 ARG CB C 103 27.382 28.818 -1.436 1
1 1080 . 12 1 1 A 103 103 ARG N N 103 128.268 126.547 1.721 1
1 1082 . 12 1 1 A 104 104 GLY H H 104 8.005 8.533 -0.528 1
1 1083 . 12 1 1 A 104 104 GLY HA2 H 104 4.006 3.798 0.208 1
1 1084 . 12 1 1 A 104 104 GLY HA3 H 104 3.455 3.805 -0.350 1
1 1085 . 12 1 1 A 104 104 GLY C C 104 173.766 173.541 0.225 1
1 1086 . 12 1 1 A 104 104 GLY CA C 104 45.598 45.476 0.122 1
1 1087 . 12 1 1 A 104 104 GLY N N 104 101.324 104.678 -3.354 1
1 1088 . 12 1 1 A 105 105 ARG H H 105 7.681 7.539 0.142 1
1 1089 . 12 1 1 A 105 105 ARG HA H 105 4.735 4.903 -0.168 1
1 1097 . 12 1 1 A 105 105 ARG C C 105 174.543 174.769 -0.226 1
1 1098 . 12 1 1 A 105 105 ARG CA C 105 54.071 54.140 -0.069 1
1 1099 . 12 1 1 A 105 105 ARG CB C 105 33.159 33.390 -0.231 1
1 1102 . 12 1 1 A 105 105 ARG N N 105 119.837 116.108 3.729 1
1 1104 . 12 1 1 A 106 106 THR H H 106 8.604 8.680 -0.076 1
1 1105 . 12 1 1 A 106 106 THR HA H 106 4.593 4.928 -0.335 1
1 1110 . 12 1 1 A 106 106 THR C C 106 175.643 174.335 1.308 1
1 1111 . 12 1 1 A 106 106 THR CA C 106 62.821 63.521 -0.700 1
1 1112 . 12 1 1 A 106 106 THR CB C 106 68.784 69.009 -0.225 1
1 1114 . 12 1 1 A 106 106 THR N N 106 118.251 117.650 0.601 1
1 1115 . 12 1 1 A 107 107 ILE H H 107 8.756 8.958 -0.202 1
1 1116 . 12 1 1 A 107 107 ILE HA H 107 4.884 5.010 -0.126 1
1 1126 . 12 1 1 A 107 107 ILE C C 107 174.877 174.286 0.591 1
1 1127 . 12 1 1 A 107 107 ILE CA C 107 60.834 59.100 1.734 1
1 1128 . 12 1 1 A 107 107 ILE CB C 107 40.644 40.382 0.262 1
1 1132 . 12 1 1 A 107 107 ILE N N 107 123.422 123.626 -0.204 1
1 1133 . 12 1 1 A 108 108 LYS H H 108 7.412 8.159 -0.747 1
1 1134 . 12 1 1 A 108 108 LYS HA H 108 5.524 5.971 -0.447 1
1 1141 . 12 1 1 A 108 108 LYS C C 108 175.839 174.510 1.329 1
1 1142 . 12 1 1 A 108 108 LYS CA C 108 52.172 54.809 -2.637 1
1 1143 . 12 1 1 A 108 108 LYS CB C 108 33.947 36.102 -2.155 1
1 1147 . 12 1 1 A 108 108 LYS N N 108 121.402 121.773 -0.371 1
1 1148 . 12 1 1 A 109 109 VAL H H 109 9.467 8.584 0.883 1
1 1149 . 12 1 1 A 109 109 VAL HA H 109 5.410 5.684 -0.274 1
1 1157 . 12 1 1 A 109 109 VAL C C 109 174.514 174.970 -0.456 1
1 1158 . 12 1 1 A 109 109 VAL CA C 109 61.258 60.997 0.261 1
1 1159 . 12 1 1 A 109 109 VAL CB C 109 34.289 34.265 0.024 1
1 1162 . 12 1 1 A 109 109 VAL N N 109 125.530 126.403 -0.873 1
1 1163 . 12 1 1 A 110 110 LEU H H 110 9.081 9.142 -0.061 1
1 1164 . 12 1 1 A 110 110 LEU HA H 110 5.109 4.903 0.206 1
1 1173 . 12 1 1 A 110 110 LEU CA C 110 51.660 51.607 0.053 1
1 1174 . 12 1 1 A 110 110 LEU CB C 110 46.037 45.456 0.581 1
1 1178 . 12 1 1 A 110 110 LEU N N 110 125.323 127.225 -1.902 1
1 1179 . 12 1 1 A 111 111 PRO HA H 111 4.539 4.746 -0.207 1
1 1186 . 12 1 1 A 111 111 PRO C C 111 176.222 175.522 0.700 1
1 1187 . 12 1 1 A 111 111 PRO CA C 111 63.390 62.545 0.845 1
1 1188 . 12 1 1 A 111 111 PRO CB C 111 31.697 32.716 -1.019 1
1 1191 . 12 1 1 A 112 112 LYS H H 112 8.121 8.876 -0.755 1
1 1192 . 12 1 1 A 112 112 LYS HA H 112 4.113 4.884 -0.771 1
1 1199 . 12 1 1 A 112 112 LYS C C 112 175.830 175.535 0.295 1
1 1200 . 12 1 1 A 112 112 LYS CA C 112 58.405 55.123 3.282 1
1 1201 . 12 1 1 A 112 112 LYS CB C 112 33.746 33.904 -0.158 1
1 1204 . 12 1 1 A 112 112 LYS N N 112 124.317 121.663 2.654 1
1 1205 . 12 1 1 A 113 113 ARG H H 113 8.228 8.745 -0.517 1
1 1206 . 12 1 1 A 113 113 ARG HA H 113 4.451 5.086 -0.635 1
1 1211 . 12 1 1 A 113 113 ARG C C 113 175.758 174.137 1.621 1
1 1212 . 12 1 1 A 113 113 ARG CA C 113 55.468 55.080 0.388 1
1 1213 . 12 1 1 A 113 113 ARG CB C 113 31.550 34.118 -2.568 1
1 1215 . 12 1 1 A 113 113 ARG N N 113 121.228 124.136 -2.908 1
1 1216 . 12 1 1 A 114 114 THR H H 114 8.138 8.962 -0.824 1
1 1217 . 12 1 1 A 114 114 THR HA H 114 4.264 4.679 -0.415 1
1 1222 . 12 1 1 A 114 114 THR C C 114 174.043 173.204 0.839 1
1 1223 . 12 1 1 A 114 114 THR CA C 114 62.229 62.212 0.017 1
1 1224 . 12 1 1 A 114 114 THR CB C 114 69.682 67.597 2.085 1
1 1226 . 12 1 1 A 114 114 THR N N 114 116.384 117.833 -1.449 1
1 1227 . 12 1 1 A 115 115 ASN H H 115 8.406 8.428 -0.022 1
1 1228 . 12 1 1 A 115 115 ASN HA H 115 4.682 5.336 -0.654 1
1 1233 . 12 1 1 A 115 115 ASN C C 115 174.513 174.408 0.105 1
1 1234 . 12 1 1 A 115 115 ASN CA C 115 53.242 52.156 1.086 1
1 1235 . 12 1 1 A 115 115 ASN CB C 115 38.888 41.357 -2.469 1
1 1236 . 12 1 1 A 115 115 ASN N N 115 120.871 125.442 -4.571 1
1 1238 . 12 1 1 A 116 116 MET H H 116 8.138 8.947 -0.809 1
1 1239 . 12 1 1 A 116 116 MET CA C 116 53.400 56.025 -2.625 1
1 1240 . 12 1 1 A 116 116 MET CB C 116 32.829 31.571 1.258 1
1 1241 . 12 1 1 A 116 116 MET N N 116 121.611 124.410 -2.799 1
1 1242 . 12 1 1 A 117 117 PRO HA H 117 4.428 4.412 0.016 1
1 1245 . 12 1 1 A 117 117 PRO C C 117 175.935 176.851 -0.916 1
1 1246 . 12 1 1 A 117 117 PRO CA C 117 63.489 63.646 -0.157 1
1 1247 . 12 1 1 A 117 117 PRO CB C 117 32.105 31.627 0.478 1
1 1248 . 12 1 1 A 118 118 GLY H H 118 8.411 8.361 0.050 1
1 1249 . 12 1 1 A 118 118 GLY HA2 H 118 3.927 4.087 -0.160 1
1 1250 . 12 1 1 A 118 118 GLY HA3 H 118 4.389 4.088 0.301 1
1 1251 . 12 1 1 A 118 118 GLY C C 118 174.117 173.865 0.252 1
1 1252 . 12 1 1 A 118 118 GLY CA C 118 45.470 45.667 -0.197 1
1 1253 . 12 1 1 A 118 118 GLY N N 118 109.241 107.478 1.763 1
1 1254 . 12 1 1 A 119 119 ILE H H 119 7.825 7.683 0.142 1
1 1255 . 12 1 1 A 119 119 ILE HA H 119 4.234 4.526 -0.292 1
1 1265 . 12 1 1 A 119 119 ILE C C 119 176.261 175.001 1.260 1
1 1266 . 12 1 1 A 119 119 ILE CA C 119 61.029 60.470 0.559 1
1 1267 . 12 1 1 A 119 119 ILE CB C 119 38.878 39.934 -1.056 1
1 1270 . 12 1 1 A 119 119 ILE N N 119 119.504 122.864 -3.360 1
1 1271 . 12 1 1 A 120 120 SER H H 120 8.397 8.776 -0.379 1
1 1272 . 12 1 1 A 120 120 SER HA H 120 4.534 4.763 -0.229 1
1 1274 . 12 1 1 A 120 120 SER C C 120 174.692 173.560 1.132 1
1 1275 . 12 1 1 A 120 120 SER CA C 120 58.150 56.950 1.200 1
1 1276 . 12 1 1 A 120 120 SER CB C 120 63.997 62.806 1.191 1
1 1277 . 12 1 1 A 120 120 SER N N 120 119.359 125.203 -5.844 1
1 1278 . 12 1 1 A 121 121 SER H H 121 8.371 8.101 0.270 1
1 1279 . 12 1 1 A 121 121 SER HA H 121 4.360 4.777 -0.417 1
1 1280 . 12 1 1 A 121 121 SER C C 121 174.809 174.748 0.061 1
1 1281 . 12 1 1 A 121 121 SER CA C 121 58.656 58.562 0.094 1
1 1282 . 12 1 1 A 121 121 SER CB C 121 63.795 64.875 -1.080 1
1 1283 . 12 1 1 A 121 121 SER N N 121 118.036 122.118 -4.082 1
1 1284 . 12 1 1 A 122 122 THR H H 122 8.100 7.568 0.532 1
1 1285 . 12 1 1 A 122 122 THR C C 122 174.254 173.586 0.668 1
1 1286 . 12 1 1 A 122 122 THR CA C 122 61.829 61.307 0.522 1
1 1287 . 12 1 1 A 122 122 THR CB C 122 69.537 69.630 -0.093 1
1 1288 . 12 1 1 A 122 122 THR N N 122 114.163 111.207 2.956 1
1 1289 . 12 1 1 A 123 123 ASP H H 123 8.197 8.142 0.055 1
1 1290 . 12 1 1 A 123 123 ASP HA H 123 4.641 4.741 -0.100 1
1 1292 . 12 1 1 A 123 123 ASP C C 123 174.975 174.175 0.800 1
1 1293 . 12 1 1 A 123 123 ASP CA C 123 54.542 54.696 -0.154 1
1 1294 . 12 1 1 A 123 123 ASP CB C 123 41.144 39.861 1.283 1
1 1295 . 12 1 1 A 123 123 ASP N N 123 122.772 121.832 0.940 1
1 8 . 13 1 1 A 2 2 ILE H H 2 8.420 8.973 -0.553 1
1 9 . 13 1 1 A 2 2 ILE HA H 2 4.219 5.030 -0.811 1
1 11 . 13 1 1 A 2 2 ILE C C 2 175.424 174.838 0.586 1
1 12 . 13 1 1 A 2 2 ILE CA C 2 61.022 59.142 1.880 1
1 13 . 13 1 1 A 2 2 ILE CB C 2 38.918 40.641 -1.723 1
1 14 . 13 1 1 A 2 2 ILE N N 2 120.314 118.084 2.230 1
1 15 . 13 1 1 A 3 3 ALA H H 3 8.374 8.767 -0.393 1
1 16 . 13 1 1 A 3 3 ALA CA C 3 50.509 49.577 0.932 1
1 17 . 13 1 1 A 3 3 ALA CB C 3 18.608 20.165 -1.557 1
1 18 . 13 1 1 A 3 3 ALA N N 3 129.874 126.167 3.707 1
1 19 . 13 1 1 A 4 4 PRO HA H 4 4.446 4.564 -0.118 1
1 22 . 13 1 1 A 4 4 PRO C C 4 176.949 176.756 0.193 1
1 23 . 13 1 1 A 4 4 PRO CA C 4 63.456 62.548 0.908 1
1 24 . 13 1 1 A 4 4 PRO CB C 4 32.203 31.552 0.651 1
1 25 . 13 1 1 A 5 5 CYS H H 5 8.347 8.386 -0.039 1
1 26 . 13 1 1 A 5 5 CYS HA H 5 4.492 4.968 -0.476 1
1 28 . 13 1 1 A 5 5 CYS C C 5 174.805 173.815 0.990 1
1 29 . 13 1 1 A 5 5 CYS CA C 5 58.495 57.908 0.587 1
1 30 . 13 1 1 A 5 5 CYS CB C 5 27.957 28.956 -0.999 1
1 31 . 13 1 1 A 5 5 CYS N N 5 118.477 119.072 -0.595 1
1 32 . 13 1 1 A 6 6 MET H H 6 8.421 8.373 0.048 1
1 33 . 13 1 1 A 6 6 MET HA H 6 4.534 5.104 -0.570 1
1 35 . 13 1 1 A 6 6 MET C C 6 176.132 174.229 1.903 1
1 36 . 13 1 1 A 6 6 MET CA C 6 55.629 54.706 0.923 1
1 37 . 13 1 1 A 6 6 MET CB C 6 33.048 35.904 -2.856 1
1 38 . 13 1 1 A 6 6 MET N N 6 122.952 123.870 -0.918 1
1 39 . 13 1 1 A 7 7 GLN H H 7 8.313 8.852 -0.539 1
1 40 . 13 1 1 A 7 7 GLN HA H 7 4.435 5.243 -0.808 1
1 42 . 13 1 1 A 7 7 GLN C C 7 176.128 173.732 2.396 1
1 43 . 13 1 1 A 7 7 GLN CA C 7 56.109 54.076 2.033 1
1 44 . 13 1 1 A 7 7 GLN CB C 7 29.591 33.012 -3.421 1
1 45 . 13 1 1 A 7 7 GLN N N 7 121.379 122.467 -1.088 1
1 46 . 13 1 1 A 8 8 THR H H 8 8.195 8.641 -0.446 1
1 47 . 13 1 1 A 8 8 THR HA H 8 4.406 5.722 -1.316 1
1 49 . 13 1 1 A 8 8 THR C C 8 174.739 172.382 2.357 1
1 50 . 13 1 1 A 8 8 THR CA C 8 61.856 59.987 1.869 1
1 51 . 13 1 1 A 8 8 THR CB C 8 69.854 71.666 -1.812 1
1 52 . 13 1 1 A 8 8 THR N N 8 115.096 114.393 0.703 1
1 53 . 13 1 1 A 9 9 THR H H 9 8.081 9.769 -1.688 1
1 54 . 13 1 1 A 9 9 THR HA H 9 4.335 5.293 -0.958 1
1 56 . 13 1 1 A 9 9 THR C C 9 174.407 172.904 1.503 1
1 57 . 13 1 1 A 9 9 THR CA C 9 61.896 60.061 1.835 1
1 58 . 13 1 1 A 9 9 THR CB C 9 69.811 72.393 -2.582 1
1 59 . 13 1 1 A 9 9 THR N N 9 115.837 117.392 -1.555 1
1 60 . 13 1 1 A 10 10 HIS H H 10 8.477 8.592 -0.115 1
1 61 . 13 1 1 A 10 10 HIS HA H 10 4.788 5.392 -0.604 1
1 64 . 13 1 1 A 10 10 HIS C C 10 174.571 173.994 0.577 1
1 65 . 13 1 1 A 10 10 HIS CA C 10 55.477 54.028 1.449 1
1 66 . 13 1 1 A 10 10 HIS CB C 10 29.291 32.521 -3.230 1
1 67 . 13 1 1 A 10 10 HIS N N 10 120.606 117.149 3.457 1
1 68 . 13 1 1 A 11 11 SER H H 11 8.306 8.987 -0.681 1
1 69 . 13 1 1 A 11 11 SER HA H 11 4.448 4.390 0.058 1
1 71 . 13 1 1 A 11 11 SER C C 11 174.512 174.653 -0.141 1
1 72 . 13 1 1 A 11 11 SER CA C 11 58.557 58.812 -0.255 1
1 73 . 13 1 1 A 11 11 SER CB C 11 63.943 63.090 0.853 1
1 74 . 13 1 1 A 11 11 SER N N 11 117.043 117.525 -0.482 1
1 75 . 13 1 1 A 12 12 LYS H H 12 8.402 7.655 0.747 1
1 76 . 13 1 1 A 12 12 LYS HA H 12 4.359 4.760 -0.401 1
1 79 . 13 1 1 A 12 12 LYS C C 12 176.592 174.573 2.019 1
1 80 . 13 1 1 A 12 12 LYS CA C 12 56.634 55.022 1.612 1
1 81 . 13 1 1 A 12 12 LYS CB C 12 33.127 35.926 -2.799 1
1 82 . 13 1 1 A 12 12 LYS N N 12 123.023 118.315 4.708 1
1 83 . 13 1 1 A 13 13 MET H H 13 8.343 9.242 -0.899 1
1 84 . 13 1 1 A 13 13 MET HA H 13 4.530 5.303 -0.773 1
1 88 . 13 1 1 A 13 13 MET C C 13 176.373 174.869 1.504 1
1 89 . 13 1 1 A 13 13 MET CA C 13 55.680 54.088 1.592 1
1 90 . 13 1 1 A 13 13 MET CB C 13 32.925 34.012 -1.087 1
1 91 . 13 1 1 A 13 13 MET N N 13 121.294 119.708 1.586 1
1 92 . 13 1 1 A 14 14 THR H H 14 8.068 8.739 -0.671 1
1 93 . 13 1 1 A 14 14 THR HA H 14 4.333 5.164 -0.831 1
1 97 . 13 1 1 A 14 14 THR C C 14 174.246 173.860 0.386 1
1 98 . 13 1 1 A 14 14 THR CA C 14 61.770 60.793 0.977 1
1 99 . 13 1 1 A 14 14 THR CB C 14 69.894 71.999 -2.105 1
1 100 . 13 1 1 A 14 14 THR N N 14 115.254 117.439 -2.185 1
1 101 . 13 1 1 A 15 15 ALA H H 15 8.289 9.095 -0.806 1
1 102 . 13 1 1 A 15 15 ALA HA H 15 4.344 4.020 0.324 1
1 106 . 13 1 1 A 15 15 ALA C C 15 178.080 176.944 1.136 1
1 107 . 13 1 1 A 15 15 ALA CA C 15 52.779 54.035 -1.256 1
1 108 . 13 1 1 A 15 15 ALA CB C 15 19.286 18.206 1.080 1
1 109 . 13 1 1 A 15 15 ALA N N 15 126.372 127.308 -0.936 1
1 110 . 13 1 1 A 16 16 GLY H H 16 8.291 8.613 -0.322 1
1 111 . 13 1 1 A 16 16 GLY HA2 H 16 3.913 4.189 -0.276 1
1 112 . 13 1 1 A 16 16 GLY C C 16 173.788 172.810 0.978 1
1 113 . 13 1 1 A 16 16 GLY CA C 16 45.298 44.873 0.425 1
1 114 . 13 1 1 A 16 16 GLY N N 16 108.095 106.174 1.921 1
1 115 . 13 1 1 A 17 17 ALA H H 17 8.000 8.470 -0.470 1
1 116 . 13 1 1 A 17 17 ALA HA H 17 4.292 4.708 -0.416 1
1 120 . 13 1 1 A 17 17 ALA C C 17 177.366 175.891 1.475 1
1 121 . 13 1 1 A 17 17 ALA CA C 17 52.518 51.327 1.191 1
1 122 . 13 1 1 A 17 17 ALA CB C 17 19.577 20.981 -1.404 1
1 123 . 13 1 1 A 17 17 ALA N N 17 123.370 126.066 -2.696 1
1 124 . 13 1 1 A 18 18 TYR H H 18 8.135 8.777 -0.642 1
1 125 . 13 1 1 A 18 18 TYR HA H 18 4.640 4.981 -0.341 1
1 129 . 13 1 1 A 18 18 TYR C C 18 176.031 173.701 2.330 1
1 130 . 13 1 1 A 18 18 TYR CA C 18 57.973 57.987 -0.014 1
1 131 . 13 1 1 A 18 18 TYR CB C 18 38.661 41.731 -3.070 1
1 132 . 13 1 1 A 18 18 TYR N N 18 119.212 120.387 -1.175 1
1 133 . 13 1 1 A 19 19 THR H H 19 7.912 8.537 -0.625 1
1 134 . 13 1 1 A 19 19 THR HA H 19 4.267 4.791 -0.524 1
1 139 . 13 1 1 A 19 19 THR C C 19 173.995 173.660 0.335 1
1 140 . 13 1 1 A 19 19 THR CA C 19 61.848 61.268 0.580 1
1 141 . 13 1 1 A 19 19 THR CB C 19 69.756 71.034 -1.278 1
1 142 . 13 1 1 A 19 19 THR N N 19 115.764 122.462 -6.698 1
1 143 . 13 1 1 A 20 20 GLU H H 20 8.077 8.889 -0.812 1
1 144 . 13 1 1 A 20 20 GLU HA H 20 4.301 4.432 -0.131 1
1 148 . 13 1 1 A 20 20 GLU C C 20 176.128 176.961 -0.833 1
1 149 . 13 1 1 A 20 20 GLU CA C 20 56.312 57.293 -0.981 1
1 150 . 13 1 1 A 20 20 GLU CB C 20 30.423 31.444 -1.021 1
1 152 . 13 1 1 A 20 20 GLU N N 20 122.553 122.781 -0.228 1
1 153 . 13 1 1 A 21 21 GLY H H 21 7.966 7.635 0.331 1
1 154 . 13 1 1 A 21 21 GLY HA2 H 21 3.903 4.087 -0.184 1
1 155 . 13 1 1 A 21 21 GLY CA C 21 44.257 43.948 0.309 1
1 156 . 13 1 1 A 21 21 GLY N N 21 109.544 105.399 4.145 1
1 157 . 13 1 1 A 22 22 PRO HA H 22 4.232 4.346 -0.114 1
1 164 . 13 1 1 A 22 22 PRO CA C 22 61.109 65.018 -3.909 1
1 165 . 13 1 1 A 22 22 PRO CB C 22 30.711 31.847 -1.136 1
1 168 . 13 1 1 A 23 23 PRO HA H 23 4.363 4.440 -0.077 1
1 174 . 13 1 1 A 23 23 PRO C C 23 176.567 177.152 -0.585 1
1 175 . 13 1 1 A 23 23 PRO CA C 23 62.733 62.900 -0.167 1
1 176 . 13 1 1 A 23 23 PRO CB C 23 32.048 31.931 0.117 1
1 179 . 13 1 1 A 24 24 GLN H H 24 8.286 8.351 -0.065 1
1 180 . 13 1 1 A 24 24 GLN HA H 24 4.479 4.367 0.112 1
1 186 . 13 1 1 A 24 24 GLN CA C 24 53.763 54.891 -1.128 1
1 187 . 13 1 1 A 24 24 GLN CB C 24 28.800 28.534 0.266 1
1 189 . 13 1 1 A 24 24 GLN N N 24 121.215 121.865 -0.650 1
1 191 . 13 1 1 A 25 25 PRO HA H 25 4.389 4.645 -0.256 1
1 198 . 13 1 1 A 25 25 PRO C C 25 176.707 175.820 0.887 1
1 199 . 13 1 1 A 25 25 PRO CA C 25 62.867 62.343 0.524 1
1 200 . 13 1 1 A 25 25 PRO CB C 25 32.174 32.987 -0.813 1
1 203 . 13 1 1 A 26 26 LEU H H 26 8.244 8.397 -0.153 1
1 204 . 13 1 1 A 26 26 LEU HA H 26 4.405 5.086 -0.681 1
1 214 . 13 1 1 A 26 26 LEU C C 26 177.517 175.065 2.452 1
1 215 . 13 1 1 A 26 26 LEU CA C 26 54.643 52.764 1.879 1
1 216 . 13 1 1 A 26 26 LEU CB C 26 43.618 45.769 -2.151 1
1 220 . 13 1 1 A 26 26 LEU N N 26 122.745 116.147 6.598 1
1 221 . 13 1 1 A 27 27 SER H H 27 8.758 8.644 0.114 1
1 222 . 13 1 1 A 27 27 SER HA H 27 4.474 4.730 -0.256 1
1 225 . 13 1 1 A 27 27 SER C C 27 174.789 175.659 -0.870 1
1 226 . 13 1 1 A 27 27 SER CA C 27 57.461 57.662 -0.201 1
1 227 . 13 1 1 A 27 27 SER CB C 27 65.280 64.307 0.973 1
1 228 . 13 1 1 A 27 27 SER N N 27 117.967 116.330 1.637 1
1 229 . 13 1 1 A 28 28 ALA H H 28 8.841 8.997 -0.156 1
1 230 . 13 1 1 A 28 28 ALA HA H 28 4.037 3.988 0.049 1
1 234 . 13 1 1 A 28 28 ALA CA C 28 55.346 55.542 -0.196 1
1 235 . 13 1 1 A 28 28 ALA CB C 28 18.347 18.190 0.157 1
1 236 . 13 1 1 A 28 28 ALA N N 28 124.144 128.172 -4.028 1
1 237 . 13 1 1 A 29 29 GLU H H 29 8.565 8.168 0.397 1
1 238 . 13 1 1 A 29 29 GLU HA H 29 4.026 4.030 -0.004 1
1 242 . 13 1 1 A 29 29 GLU C C 29 178.877 179.473 -0.596 1
1 243 . 13 1 1 A 29 29 GLU CA C 29 59.430 59.476 -0.046 1
1 244 . 13 1 1 A 29 29 GLU CB C 29 29.244 29.031 0.213 1
1 246 . 13 1 1 A 29 29 GLU N N 29 117.527 117.767 -0.240 1
1 247 . 13 1 1 A 30 30 GLU H H 30 7.823 8.112 -0.289 1
1 248 . 13 1 1 A 30 30 GLU HA H 30 4.054 4.091 -0.037 1
1 253 . 13 1 1 A 30 30 GLU C C 30 179.191 179.012 0.179 1
1 254 . 13 1 1 A 30 30 GLU CA C 30 59.037 58.930 0.107 1
1 255 . 13 1 1 A 30 30 GLU CB C 30 30.102 29.370 0.732 1
1 257 . 13 1 1 A 30 30 GLU N N 30 120.773 120.811 -0.038 1
1 258 . 13 1 1 A 31 31 LYS H H 31 8.246 7.441 0.805 1
1 259 . 13 1 1 A 31 31 LYS HA H 31 3.844 4.082 -0.238 1
1 266 . 13 1 1 A 31 31 LYS C C 31 177.968 179.662 -1.694 1
1 267 . 13 1 1 A 31 31 LYS CA C 31 59.889 59.426 0.463 1
1 268 . 13 1 1 A 31 31 LYS CB C 31 32.350 32.243 0.107 1
1 272 . 13 1 1 A 31 31 LYS N N 31 119.315 119.687 -0.372 1
1 273 . 13 1 1 A 32 32 LYS H H 32 7.698 8.011 -0.313 1
1 274 . 13 1 1 A 32 32 LYS HA H 32 4.043 3.898 0.145 1
1 282 . 13 1 1 A 32 32 LYS C C 32 178.848 179.480 -0.632 1
1 283 . 13 1 1 A 32 32 LYS CA C 32 59.479 60.157 -0.678 1
1 284 . 13 1 1 A 32 32 LYS CB C 32 32.459 32.218 0.241 1
1 288 . 13 1 1 A 32 32 LYS N N 32 118.195 119.857 -1.662 1
1 289 . 13 1 1 A 33 33 GLU H H 33 7.512 7.833 -0.321 1
1 290 . 13 1 1 A 33 33 GLU HA H 33 4.031 4.097 -0.066 1
1 295 . 13 1 1 A 33 33 GLU C C 33 178.989 179.649 -0.660 1
1 296 . 13 1 1 A 33 33 GLU CA C 33 59.157 58.984 0.173 1
1 297 . 13 1 1 A 33 33 GLU CB C 33 29.220 29.949 -0.729 1
1 299 . 13 1 1 A 33 33 GLU N N 33 118.459 119.588 -1.129 1
1 300 . 13 1 1 A 34 34 ILE H H 34 7.912 7.770 0.142 1
1 301 . 13 1 1 A 34 34 ILE HA H 34 3.503 3.814 -0.311 1
1 311 . 13 1 1 A 34 34 ILE C C 34 180.639 177.670 2.969 1
1 312 . 13 1 1 A 34 34 ILE CA C 34 65.305 64.028 1.277 1
1 313 . 13 1 1 A 34 34 ILE CB C 34 38.540 37.311 1.229 1
1 317 . 13 1 1 A 34 34 ILE N N 34 120.176 117.809 2.367 1
1 318 . 13 1 1 A 35 35 ASP H H 35 8.457 8.374 0.083 1
1 319 . 13 1 1 A 35 35 ASP HA H 35 4.145 4.216 -0.071 1
1 322 . 13 1 1 A 35 35 ASP C C 35 178.790 178.862 -0.072 1
1 323 . 13 1 1 A 35 35 ASP CA C 35 58.322 57.716 0.606 1
1 324 . 13 1 1 A 35 35 ASP CB C 35 39.538 41.211 -1.673 1
1 325 . 13 1 1 A 35 35 ASP N N 35 123.589 121.488 2.101 1
1 326 . 13 1 1 A 36 36 LYS H H 36 7.573 7.713 -0.140 1
1 327 . 13 1 1 A 36 36 LYS HA H 36 4.187 4.139 0.048 1
1 334 . 13 1 1 A 36 36 LYS C C 36 176.400 177.978 -1.578 1
1 335 . 13 1 1 A 36 36 LYS CA C 36 58.656 58.843 -0.187 1
1 336 . 13 1 1 A 36 36 LYS CB C 36 32.991 32.253 0.738 1
1 340 . 13 1 1 A 36 36 LYS N N 36 117.506 119.127 -1.621 1
1 341 . 13 1 1 A 37 37 ARG H H 37 7.397 7.808 -0.411 1
1 342 . 13 1 1 A 37 37 ARG HA H 37 4.658 4.614 0.044 1
1 348 . 13 1 1 A 37 37 ARG C C 37 174.361 175.465 -1.104 1
1 349 . 13 1 1 A 37 37 ARG CA C 37 55.793 56.223 -0.430 1
1 350 . 13 1 1 A 37 37 ARG CB C 37 31.260 30.583 0.677 1
1 353 . 13 1 1 A 37 37 ARG N N 37 115.182 114.964 0.218 1
1 354 . 13 1 1 A 38 38 SER H H 38 7.416 7.343 0.073 1
1 355 . 13 1 1 A 38 38 SER HA H 38 6.346 4.876 1.470 1
1 358 . 13 1 1 A 38 38 SER C C 38 173.807 173.427 0.380 1
1 359 . 13 1 1 A 38 38 SER CA C 38 57.574 56.120 1.454 1
1 360 . 13 1 1 A 38 38 SER CB C 38 67.003 65.752 1.251 1
1 361 . 13 1 1 A 38 38 SER N N 38 112.872 116.716 -3.844 1
1 362 . 13 1 1 A 39 39 VAL H H 39 8.812 8.670 0.142 1
1 363 . 13 1 1 A 39 39 VAL HA H 39 5.117 5.368 -0.251 1
1 371 . 13 1 1 A 39 39 VAL C C 39 174.519 173.033 1.486 1
1 372 . 13 1 1 A 39 39 VAL CA C 39 59.085 59.026 0.059 1
1 373 . 13 1 1 A 39 39 VAL CB C 39 34.476 35.935 -1.459 1
1 376 . 13 1 1 A 39 39 VAL N N 39 111.961 118.305 -6.344 1
1 377 . 13 1 1 A 40 40 TYR H H 40 9.366 9.078 0.288 1
1 378 . 13 1 1 A 40 40 TYR HA H 40 5.108 4.701 0.407 1
1 385 . 13 1 1 A 40 40 TYR C C 40 172.976 173.563 -0.587 1
1 386 . 13 1 1 A 40 40 TYR CA C 40 56.633 55.317 1.316 1
1 387 . 13 1 1 A 40 40 TYR CB C 40 41.058 41.387 -0.329 1
1 390 . 13 1 1 A 40 40 TYR N N 40 123.743 124.243 -0.500 1
1 391 . 13 1 1 A 41 41 VAL H H 41 8.734 9.297 -0.563 1
1 392 . 13 1 1 A 41 41 VAL HA H 41 4.876 4.814 0.062 1
1 400 . 13 1 1 A 41 41 VAL C C 41 174.651 174.791 -0.140 1
1 401 . 13 1 1 A 41 41 VAL CA C 41 59.798 60.627 -0.829 1
1 402 . 13 1 1 A 41 41 VAL CB C 41 33.329 33.302 0.027 1
1 405 . 13 1 1 A 41 41 VAL N N 41 127.436 127.148 0.288 1
1 406 . 13 1 1 A 42 42 GLY H H 42 9.669 8.742 0.927 1
1 407 . 13 1 1 A 42 42 GLY HA2 H 42 3.612 4.003 -0.391 1
1 408 . 13 1 1 A 42 42 GLY HA3 H 42 4.392 4.027 0.365 1
1 409 . 13 1 1 A 42 42 GLY C C 42 173.639 174.162 -0.523 1
1 410 . 13 1 1 A 42 42 GLY CA C 42 44.169 43.497 0.672 1
1 411 . 13 1 1 A 42 42 GLY N N 42 113.263 115.233 -1.970 1
1 412 . 13 1 1 A 43 43 ASN H H 43 8.412 8.974 -0.562 1
1 413 . 13 1 1 A 43 43 ASN HA H 43 4.510 4.475 0.035 1
1 418 . 13 1 1 A 43 43 ASN C C 43 174.364 174.695 -0.331 1
1 419 . 13 1 1 A 43 43 ASN CA C 43 53.557 54.439 -0.882 1
1 420 . 13 1 1 A 43 43 ASN CB C 43 37.283 38.348 -1.065 1
1 421 . 13 1 1 A 43 43 ASN N N 43 115.451 118.403 -2.952 1
1 423 . 13 1 1 A 44 44 VAL H H 44 7.083 7.736 -0.653 1
1 424 . 13 1 1 A 44 44 VAL HA H 44 3.975 4.473 -0.498 1
1 432 . 13 1 1 A 44 44 VAL C C 44 175.885 173.982 1.903 1
1 433 . 13 1 1 A 44 44 VAL CA C 44 61.614 61.664 -0.050 1
1 434 . 13 1 1 A 44 44 VAL CB C 44 32.914 32.436 0.478 1
1 437 . 13 1 1 A 44 44 VAL N N 44 115.399 119.929 -4.530 1
1 438 . 13 1 1 A 45 45 ASP H H 45 8.305 8.939 -0.634 1
1 439 . 13 1 1 A 45 45 ASP HA H 45 4.467 5.077 -0.610 1
1 442 . 13 1 1 A 45 45 ASP C C 45 177.205 175.715 1.490 1
1 443 . 13 1 1 A 45 45 ASP CA C 45 54.613 52.785 1.828 1
1 444 . 13 1 1 A 45 45 ASP CB C 45 43.657 41.549 2.108 1
1 445 . 13 1 1 A 45 45 ASP N N 45 124.440 129.012 -4.572 1
1 446 . 13 1 1 A 46 46 TYR H H 46 8.715 9.401 -0.686 1
1 447 . 13 1 1 A 46 46 TYR HA H 46 4.483 4.372 0.111 1
1 454 . 13 1 1 A 46 46 TYR C C 46 175.453 175.913 -0.460 1
1 455 . 13 1 1 A 46 46 TYR CA C 46 59.464 60.091 -0.627 1
1 456 . 13 1 1 A 46 46 TYR CB C 46 38.753 37.256 1.497 1
1 458 . 13 1 1 A 46 46 TYR N N 46 125.588 123.362 2.226 1
1 459 . 13 1 1 A 47 47 GLY H H 47 8.387 8.832 -0.445 1
1 460 . 13 1 1 A 47 47 GLY HA2 H 47 3.561 4.058 -0.497 1
1 461 . 13 1 1 A 47 47 GLY HA3 H 47 4.348 4.060 0.288 1
1 462 . 13 1 1 A 47 47 GLY C C 47 173.578 174.270 -0.692 1
1 463 . 13 1 1 A 47 47 GLY CA C 47 44.965 45.733 -0.768 1
1 464 . 13 1 1 A 47 47 GLY N N 47 106.974 111.714 -4.740 1
1 465 . 13 1 1 A 48 48 SER H H 48 7.417 8.147 -0.730 1
1 466 . 13 1 1 A 48 48 SER HA H 48 4.428 4.686 -0.258 1
1 468 . 13 1 1 A 48 48 SER C C 48 173.220 175.142 -1.922 1
1 469 . 13 1 1 A 48 48 SER CA C 48 59.892 58.990 0.902 1
1 470 . 13 1 1 A 48 48 SER CB C 48 64.519 64.255 0.264 1
1 471 . 13 1 1 A 48 48 SER N N 48 115.423 117.066 -1.643 1
1 472 . 13 1 1 A 49 49 THR H H 49 8.474 9.046 -0.572 1
1 473 . 13 1 1 A 49 49 THR HA H 49 4.660 4.869 -0.209 1
1 478 . 13 1 1 A 49 49 THR C C 49 175.940 176.047 -0.107 1
1 479 . 13 1 1 A 49 49 THR CA C 49 58.831 59.668 -0.837 1
1 480 . 13 1 1 A 49 49 THR CB C 49 72.585 72.249 0.336 1
1 482 . 13 1 1 A 49 49 THR N N 49 112.103 114.268 -2.165 1
1 483 . 13 1 1 A 50 50 ALA H H 50 9.723 9.025 0.698 1
1 484 . 13 1 1 A 50 50 ALA HA H 50 3.923 4.017 -0.094 1
1 488 . 13 1 1 A 50 50 ALA C C 50 179.045 179.915 -0.870 1
1 489 . 13 1 1 A 50 50 ALA CA C 50 55.643 55.381 0.262 1
1 490 . 13 1 1 A 50 50 ALA CB C 50 18.259 18.026 0.233 1
1 491 . 13 1 1 A 50 50 ALA N N 50 123.988 123.778 0.210 1
1 492 . 13 1 1 A 51 51 GLN H H 51 7.730 8.198 -0.468 1
1 493 . 13 1 1 A 51 51 GLN HA H 51 3.940 4.027 -0.087 1
1 500 . 13 1 1 A 51 51 GLN C C 51 178.215 178.768 -0.553 1
1 501 . 13 1 1 A 51 51 GLN CA C 51 59.096 59.006 0.090 1
1 502 . 13 1 1 A 51 51 GLN CB C 51 28.508 28.305 0.203 1
1 504 . 13 1 1 A 51 51 GLN N N 51 116.375 117.895 -1.520 1
1 505 . 13 1 1 A 52 52 ASP H H 52 8.273 7.684 0.589 1
1 506 . 13 1 1 A 52 52 ASP HA H 52 4.587 4.544 0.043 1
1 507 . 13 1 1 A 52 52 ASP C C 52 179.837 179.036 0.801 1
1 508 . 13 1 1 A 52 52 ASP CA C 52 57.556 57.328 0.228 1
1 509 . 13 1 1 A 52 52 ASP CB C 52 41.057 40.870 0.187 1
1 510 . 13 1 1 A 52 52 ASP N N 52 120.755 120.041 0.714 1
1 511 . 13 1 1 A 53 53 LEU H H 53 7.855 8.205 -0.350 1
1 512 . 13 1 1 A 53 53 LEU HA H 53 3.933 4.140 -0.207 1
1 522 . 13 1 1 A 53 53 LEU C C 53 178.463 179.159 -0.696 1
1 523 . 13 1 1 A 53 53 LEU CA C 53 58.367 58.191 0.176 1
1 524 . 13 1 1 A 53 53 LEU CB C 53 42.646 41.073 1.573 1
1 528 . 13 1 1 A 53 53 LEU N N 53 122.035 120.738 1.297 1
1 529 . 13 1 1 A 54 54 GLU H H 54 8.804 8.908 -0.104 1
1 530 . 13 1 1 A 54 54 GLU HA H 54 3.745 4.022 -0.277 1
1 534 . 13 1 1 A 54 54 GLU C C 54 178.467 178.409 0.058 1
1 535 . 13 1 1 A 54 54 GLU CA C 54 59.833 59.754 0.079 1
1 536 . 13 1 1 A 54 54 GLU CB C 54 29.238 29.276 -0.038 1
1 538 . 13 1 1 A 54 54 GLU N N 54 120.472 119.794 0.678 1
1 539 . 13 1 1 A 55 55 ALA H H 55 8.098 8.042 0.056 1
1 540 . 13 1 1 A 55 55 ALA HA H 55 4.249 4.249 0.000 1
1 544 . 13 1 1 A 55 55 ALA C C 55 180.711 180.056 0.655 1
1 545 . 13 1 1 A 55 55 ALA CA C 55 55.077 55.117 -0.040 1
1 546 . 13 1 1 A 55 55 ALA CB C 55 18.164 18.713 -0.549 1
1 547 . 13 1 1 A 55 55 ALA N N 55 119.302 122.075 -2.773 1
1 548 . 13 1 1 A 56 56 HIS H H 56 7.927 7.807 0.120 1
1 549 . 13 1 1 A 56 56 HIS HA H 56 4.281 4.308 -0.027 1
1 553 . 13 1 1 A 56 56 HIS C C 56 176.342 177.129 -0.787 1
1 554 . 13 1 1 A 56 56 HIS CA C 56 59.362 59.339 0.023 1
1 555 . 13 1 1 A 56 56 HIS CB C 56 31.200 29.657 1.543 1
1 556 . 13 1 1 A 56 56 HIS N N 56 117.016 118.297 -1.281 1
1 557 . 13 1 1 A 57 57 PHE H H 57 7.811 8.138 -0.327 1
1 558 . 13 1 1 A 57 57 PHE HA H 57 4.554 4.430 0.124 1
1 565 . 13 1 1 A 57 57 PHE C C 57 177.301 178.303 -1.002 1
1 566 . 13 1 1 A 57 57 PHE CA C 57 59.480 61.804 -2.324 1
1 567 . 13 1 1 A 57 57 PHE CB C 57 40.432 38.907 1.525 1
1 571 . 13 1 1 A 57 57 PHE N N 57 111.423 115.544 -4.121 1
1 572 . 13 1 1 A 58 58 SER H H 58 8.126 8.573 -0.447 1
1 573 . 13 1 1 A 58 58 SER HA H 58 4.468 4.847 -0.379 1
1 575 . 13 1 1 A 58 58 SER C C 58 176.676 176.464 0.212 1
1 576 . 13 1 1 A 58 58 SER CA C 58 62.159 61.948 0.211 1
1 577 . 13 1 1 A 58 58 SER N N 58 118.439 117.210 1.229 1
1 578 . 13 1 1 A 59 59 SER H H 59 8.422 7.734 0.688 1
1 579 . 13 1 1 A 59 59 SER HA H 59 4.291 4.320 -0.029 1
1 581 . 13 1 1 A 59 59 SER C C 59 175.955 175.149 0.806 1
1 582 . 13 1 1 A 59 59 SER CA C 59 60.277 61.427 -1.150 1
1 583 . 13 1 1 A 59 59 SER CB C 59 62.444 63.062 -0.618 1
1 584 . 13 1 1 A 59 59 SER N N 59 116.618 117.501 -0.883 1
1 585 . 13 1 1 A 60 60 CYS H H 60 8.226 8.202 0.024 1
1 586 . 13 1 1 A 60 60 CYS HA H 60 4.067 4.530 -0.463 1
1 589 . 13 1 1 A 60 60 CYS C C 60 174.682 173.919 0.763 1
1 590 . 13 1 1 A 60 60 CYS CA C 60 60.683 59.272 1.411 1
1 591 . 13 1 1 A 60 60 CYS CB C 60 28.894 28.765 0.129 1
1 592 . 13 1 1 A 60 60 CYS N N 60 118.900 116.899 2.001 1
1 593 . 13 1 1 A 61 61 GLY H H 61 7.414 7.445 -0.031 1
1 594 . 13 1 1 A 61 61 GLY HA2 H 61 3.887 4.016 -0.129 1
1 595 . 13 1 1 A 61 61 GLY HA3 H 61 4.489 4.040 0.449 1
1 596 . 13 1 1 A 61 61 GLY C C 61 171.619 174.513 -2.894 1
1 597 . 13 1 1 A 61 61 GLY CA C 61 44.000 45.663 -1.663 1
1 598 . 13 1 1 A 61 61 GLY N N 61 106.320 107.385 -1.065 1
1 599 . 13 1 1 A 62 62 SER H H 62 8.182 9.162 -0.980 1
1 600 . 13 1 1 A 62 62 SER HA H 62 4.420 4.444 -0.024 1
1 603 . 13 1 1 A 62 62 SER C C 62 175.295 175.052 0.243 1
1 604 . 13 1 1 A 62 62 SER CA C 62 59.839 61.760 -1.921 1
1 605 . 13 1 1 A 62 62 SER CB C 62 63.617 63.346 0.271 1
1 606 . 13 1 1 A 62 62 SER N N 62 112.485 114.577 -2.092 1
1 607 . 13 1 1 A 63 63 ILE H H 63 8.857 7.918 0.939 1
1 608 . 13 1 1 A 63 63 ILE HA H 63 4.007 4.247 -0.240 1
1 618 . 13 1 1 A 63 63 ILE C C 63 175.045 175.979 -0.934 1
1 619 . 13 1 1 A 63 63 ILE CA C 63 61.979 62.189 -0.210 1
1 620 . 13 1 1 A 63 63 ILE CB C 63 41.048 36.526 4.522 1
1 624 . 13 1 1 A 63 63 ILE N N 63 127.966 117.812 10.154 1
1 625 . 13 1 1 A 64 64 ASN H H 64 8.897 9.159 -0.262 1
1 626 . 13 1 1 A 64 64 ASN HA H 64 4.667 4.963 -0.296 1
1 631 . 13 1 1 A 64 64 ASN C C 64 174.686 175.533 -0.847 1
1 632 . 13 1 1 A 64 64 ASN CA C 64 53.627 54.825 -1.198 1
1 633 . 13 1 1 A 64 64 ASN CB C 64 40.062 40.719 -0.657 1
1 634 . 13 1 1 A 64 64 ASN N N 64 124.997 123.847 1.150 1
1 636 . 13 1 1 A 65 65 ARG H H 65 7.419 7.531 -0.112 1
1 637 . 13 1 1 A 65 65 ARG HA H 65 5.155 4.916 0.239 1
1 645 . 13 1 1 A 65 65 ARG C C 65 173.788 174.334 -0.546 1
1 646 . 13 1 1 A 65 65 ARG CA C 65 55.703 54.788 0.915 1
1 647 . 13 1 1 A 65 65 ARG CB C 65 35.408 34.997 0.411 1
1 650 . 13 1 1 A 65 65 ARG N N 65 116.737 116.635 0.102 1
1 652 . 13 1 1 A 66 66 ILE H H 66 8.681 8.664 0.017 1
1 653 . 13 1 1 A 66 66 ILE HA H 66 4.574 5.363 -0.789 1
1 663 . 13 1 1 A 66 66 ILE C C 66 173.717 174.712 -0.995 1
1 664 . 13 1 1 A 66 66 ILE CA C 66 61.049 59.164 1.885 1
1 665 . 13 1 1 A 66 66 ILE CB C 66 42.988 42.355 0.633 1
1 669 . 13 1 1 A 66 66 ILE N N 66 123.359 117.236 6.123 1
1 670 . 13 1 1 A 67 67 THR H H 67 8.861 9.333 -0.472 1
1 671 . 13 1 1 A 67 67 THR HA H 67 5.378 5.355 0.023 1
1 676 . 13 1 1 A 67 67 THR C C 67 173.526 173.673 -0.147 1
1 677 . 13 1 1 A 67 67 THR CA C 67 61.112 59.913 1.199 1
1 678 . 13 1 1 A 67 67 THR CB C 67 70.857 71.516 -0.659 1
1 680 . 13 1 1 A 67 67 THR N N 67 124.375 116.118 8.257 1
1 681 . 13 1 1 A 68 68 ILE H H 68 9.768 8.798 0.970 1
1 682 . 13 1 1 A 68 68 ILE HA H 68 4.333 4.733 -0.400 1
1 692 . 13 1 1 A 68 68 ILE C C 68 173.743 174.834 -1.091 1
1 693 . 13 1 1 A 68 68 ILE CA C 68 61.237 60.231 1.006 1
1 694 . 13 1 1 A 68 68 ILE CB C 68 40.908 40.336 0.572 1
1 698 . 13 1 1 A 68 68 ILE N N 68 127.340 124.306 3.034 1
1 699 . 13 1 1 A 69 69 LEU H H 69 9.045 9.291 -0.246 1
1 700 . 13 1 1 A 69 69 LEU HA H 69 5.074 5.057 0.017 1
1 710 . 13 1 1 A 69 69 LEU C C 69 175.502 175.206 0.296 1
1 711 . 13 1 1 A 69 69 LEU CA C 69 55.186 53.047 2.139 1
1 712 . 13 1 1 A 69 69 LEU CB C 69 42.702 44.410 -1.708 1
1 716 . 13 1 1 A 69 69 LEU N N 69 128.686 125.513 3.173 1
1 717 . 13 1 1 A 70 70 CYS H H 70 8.767 8.865 -0.098 1
1 718 . 13 1 1 A 70 70 CYS HA H 70 5.237 5.590 -0.353 1
1 720 . 13 1 1 A 70 70 CYS C C 70 173.558 173.538 0.020 1
1 721 . 13 1 1 A 70 70 CYS CA C 70 57.609 56.669 0.940 1
1 722 . 13 1 1 A 70 70 CYS CB C 70 29.830 29.606 0.224 1
1 723 . 13 1 1 A 70 70 CYS N N 70 120.856 121.791 -0.935 1
1 724 . 13 1 1 A 71 71 ASP H H 71 9.109 9.345 -0.236 1
1 725 . 13 1 1 A 71 71 ASP HA H 71 5.193 5.583 -0.390 1
1 728 . 13 1 1 A 71 71 ASP C C 71 175.440 175.262 0.178 1
1 729 . 13 1 1 A 71 71 ASP CA C 71 53.705 52.322 1.383 1
1 730 . 13 1 1 A 71 71 ASP CB C 71 44.774 43.239 1.535 1
1 731 . 13 1 1 A 71 71 ASP N N 71 124.936 123.143 1.793 1
1 732 . 13 1 1 A 72 72 LYS H H 72 8.262 8.811 -0.549 1
1 733 . 13 1 1 A 72 72 LYS HA H 72 4.553 4.745 -0.192 1
1 740 . 13 1 1 A 72 72 LYS C C 72 177.732 177.543 0.189 1
1 741 . 13 1 1 A 72 72 LYS CA C 72 55.608 55.710 -0.102 1
1 742 . 13 1 1 A 72 72 LYS CB C 72 32.469 33.444 -0.975 1
1 745 . 13 1 1 A 72 72 LYS N N 72 120.339 124.671 -4.332 1
1 746 . 13 1 1 A 73 73 PHE H H 73 8.663 8.311 0.352 1
1 747 . 13 1 1 A 73 73 PHE HA H 73 4.357 4.388 -0.031 1
1 752 . 13 1 1 A 73 73 PHE C C 73 177.148 176.801 0.347 1
1 753 . 13 1 1 A 73 73 PHE CA C 73 60.214 59.906 0.308 1
1 754 . 13 1 1 A 73 73 PHE CB C 73 39.157 37.685 1.472 1
1 756 . 13 1 1 A 73 73 PHE N N 73 121.961 119.400 2.561 1
1 757 . 13 1 1 A 74 74 SER H H 74 8.780 7.339 1.441 1
1 758 . 13 1 1 A 74 74 SER HA H 74 4.353 4.567 -0.214 1
1 760 . 13 1 1 A 74 74 SER C C 74 174.810 174.663 0.147 1
1 761 . 13 1 1 A 74 74 SER CA C 74 58.965 58.199 0.766 1
1 762 . 13 1 1 A 74 74 SER CB C 74 63.650 63.383 0.267 1
1 763 . 13 1 1 A 74 74 SER N N 74 114.021 114.452 -0.431 1
1 764 . 13 1 1 A 75 75 GLY H H 75 8.004 8.399 -0.395 1
1 765 . 13 1 1 A 75 75 GLY HA2 H 75 3.635 3.959 -0.324 1
1 766 . 13 1 1 A 75 75 GLY HA3 H 75 4.221 4.030 0.191 1
1 767 . 13 1 1 A 75 75 GLY C C 75 173.254 174.567 -1.313 1
1 768 . 13 1 1 A 75 75 GLY CA C 75 45.162 45.323 -0.161 1
1 769 . 13 1 1 A 75 75 GLY N N 75 108.714 109.373 -0.659 1
1 770 . 13 1 1 A 76 76 HIS H H 76 7.670 7.839 -0.169 1
1 771 . 13 1 1 A 76 76 HIS HA H 76 5.020 4.727 0.293 1
1 775 . 13 1 1 A 76 76 HIS CA C 76 52.522 54.158 -1.636 1
1 776 . 13 1 1 A 76 76 HIS CB C 76 29.410 30.581 -1.171 1
1 777 . 13 1 1 A 76 76 HIS N N 76 118.164 119.117 -0.953 1
1 778 . 13 1 1 A 77 77 PRO HA H 77 4.551 5.064 -0.513 1
1 784 . 13 1 1 A 77 77 PRO C C 77 176.458 176.524 -0.066 1
1 785 . 13 1 1 A 77 77 PRO CA C 77 63.263 62.472 0.791 1
1 786 . 13 1 1 A 77 77 PRO CB C 77 32.077 31.982 0.095 1
1 789 . 13 1 1 A 78 78 LYS H H 78 8.846 9.218 -0.372 1
1 790 . 13 1 1 A 78 78 LYS HA H 78 4.772 4.921 -0.149 1
1 796 . 13 1 1 A 78 78 LYS CA C 78 55.964 54.829 1.135 1
1 797 . 13 1 1 A 78 78 LYS CB C 78 35.816 34.545 1.271 1
1 799 . 13 1 1 A 78 78 LYS N N 78 124.197 122.184 2.013 1
1 800 . 13 1 1 A 79 79 GLY H H 79 8.352 8.159 0.193 1
1 801 . 13 1 1 A 79 79 GLY HA2 H 79 3.871 4.175 -0.304 1
1 802 . 13 1 1 A 79 79 GLY HA3 H 79 5.451 4.186 1.265 1
1 803 . 13 1 1 A 79 79 GLY C C 79 173.400 171.519 1.881 1
1 804 . 13 1 1 A 79 79 GLY CA C 79 45.189 45.817 -0.628 1
1 805 . 13 1 1 A 79 79 GLY N N 79 109.568 108.579 0.989 1
1 806 . 13 1 1 A 80 80 TYR H H 80 8.856 8.872 -0.016 1
1 807 . 13 1 1 A 80 80 TYR HA H 80 4.940 5.195 -0.255 1
1 814 . 13 1 1 A 80 80 TYR C C 80 171.720 172.671 -0.951 1
1 815 . 13 1 1 A 80 80 TYR CA C 80 56.267 56.583 -0.316 1
1 816 . 13 1 1 A 80 80 TYR CB C 80 40.003 41.187 -1.184 1
1 818 . 13 1 1 A 80 80 TYR N N 80 120.052 116.022 4.030 1
1 819 . 13 1 1 A 81 81 ALA H H 81 9.215 9.153 0.062 1
1 820 . 13 1 1 A 81 81 ALA HA H 81 5.386 5.568 -0.182 1
1 824 . 13 1 1 A 81 81 ALA C C 81 175.357 175.581 -0.224 1
1 825 . 13 1 1 A 81 81 ALA CA C 81 50.089 50.517 -0.428 1
1 826 . 13 1 1 A 81 81 ALA CB C 81 24.030 23.485 0.545 1
1 827 . 13 1 1 A 81 81 ALA N N 81 120.138 122.215 -2.077 1
1 828 . 13 1 1 A 82 82 TYR H H 82 8.974 8.940 0.034 1
1 829 . 13 1 1 A 82 82 TYR HA H 82 5.885 5.675 0.210 1
1 836 . 13 1 1 A 82 82 TYR C C 82 176.232 174.595 1.637 1
1 837 . 13 1 1 A 82 82 TYR CA C 82 55.626 56.401 -0.775 1
1 838 . 13 1 1 A 82 82 TYR CB C 82 41.536 41.265 0.271 1
1 839 . 13 1 1 A 82 82 TYR N N 82 114.621 118.325 -3.704 1
1 840 . 13 1 1 A 83 83 ILE H H 83 8.644 8.663 -0.019 1
1 841 . 13 1 1 A 83 83 ILE HA H 83 4.275 4.437 -0.162 1
1 851 . 13 1 1 A 83 83 ILE C C 83 173.516 174.317 -0.801 1
1 852 . 13 1 1 A 83 83 ILE CA C 83 60.345 59.886 0.459 1
1 853 . 13 1 1 A 83 83 ILE CB C 83 39.535 38.852 0.683 1
1 857 . 13 1 1 A 83 83 ILE N N 83 122.447 123.823 -1.376 1
1 858 . 13 1 1 A 84 84 GLU H H 84 8.612 9.105 -0.493 1
1 859 . 13 1 1 A 84 84 GLU HA H 84 4.801 4.738 0.063 1
1 862 . 13 1 1 A 84 84 GLU C C 84 176.111 175.514 0.597 1
1 863 . 13 1 1 A 84 84 GLU CA C 84 54.496 55.179 -0.683 1
1 864 . 13 1 1 A 84 84 GLU CB C 84 31.499 30.817 0.682 1
1 865 . 13 1 1 A 84 84 GLU N N 84 127.346 126.999 0.347 1
1 866 . 13 1 1 A 85 85 PHE H H 85 9.087 9.212 -0.125 1
1 867 . 13 1 1 A 85 85 PHE HA H 85 4.817 4.852 -0.035 1
1 875 . 13 1 1 A 85 85 PHE C C 85 174.422 176.683 -2.261 1
1 876 . 13 1 1 A 85 85 PHE CA C 85 59.072 57.893 1.179 1
1 877 . 13 1 1 A 85 85 PHE CB C 85 40.765 41.356 -0.591 1
1 878 . 13 1 1 A 85 85 PHE N N 85 128.049 123.642 4.407 1
1 879 . 13 1 1 A 86 86 ALA H H 86 8.192 8.811 -0.619 1
1 880 . 13 1 1 A 86 86 ALA HA H 86 4.239 4.278 -0.039 1
1 884 . 13 1 1 A 86 86 ALA C C 86 178.143 177.264 0.879 1
1 885 . 13 1 1 A 86 86 ALA CA C 86 54.524 53.437 1.087 1
1 886 . 13 1 1 A 86 86 ALA CB C 86 19.510 19.866 -0.356 1
1 887 . 13 1 1 A 86 86 ALA N N 86 120.669 122.835 -2.166 1
1 888 . 13 1 1 A 87 87 GLU H H 87 8.455 7.919 0.536 1
1 889 . 13 1 1 A 87 87 GLU HA H 87 4.765 4.763 0.002 1
1 893 . 13 1 1 A 87 87 GLU C C 87 176.472 176.344 0.128 1
1 894 . 13 1 1 A 87 87 GLU CA C 87 54.353 54.869 -0.516 1
1 895 . 13 1 1 A 87 87 GLU CB C 87 32.624 32.511 0.113 1
1 897 . 13 1 1 A 87 87 GLU N N 87 114.204 117.664 -3.460 1
1 898 . 13 1 1 A 88 88 ARG H H 88 8.917 9.048 -0.131 1
1 899 . 13 1 1 A 88 88 ARG HA H 88 3.961 4.049 -0.088 1
1 905 . 13 1 1 A 88 88 ARG C C 88 178.900 177.835 1.065 1
1 906 . 13 1 1 A 88 88 ARG CA C 88 59.548 58.781 0.767 1
1 907 . 13 1 1 A 88 88 ARG CB C 88 30.073 29.953 0.120 1
1 910 . 13 1 1 A 88 88 ARG N N 88 121.592 124.559 -2.967 1
1 911 . 13 1 1 A 89 89 ASN H H 89 8.845 7.955 0.890 1
1 912 . 13 1 1 A 89 89 ASN HA H 89 4.497 4.495 0.002 1
1 916 . 13 1 1 A 89 89 ASN C C 89 177.179 178.156 -0.977 1
1 917 . 13 1 1 A 89 89 ASN CA C 89 55.861 55.630 0.231 1
1 918 . 13 1 1 A 89 89 ASN CB C 89 37.330 38.281 -0.951 1
1 919 . 13 1 1 A 89 89 ASN N N 89 116.555 117.705 -1.150 1
1 921 . 13 1 1 A 90 90 SER H H 90 7.513 7.964 -0.451 1
1 922 . 13 1 1 A 90 90 SER HA H 90 4.006 4.097 -0.091 1
1 925 . 13 1 1 A 90 90 SER C C 90 174.511 175.897 -1.386 1
1 926 . 13 1 1 A 90 90 SER CA C 90 61.395 62.215 -0.820 1
1 927 . 13 1 1 A 90 90 SER CB C 90 63.424 62.668 0.756 1
1 928 . 13 1 1 A 90 90 SER N N 90 116.007 118.299 -2.292 1
1 929 . 13 1 1 A 91 91 VAL H H 91 7.653 8.015 -0.362 1
1 930 . 13 1 1 A 91 91 VAL HA H 91 3.201 3.692 -0.491 1
1 938 . 13 1 1 A 91 91 VAL C C 91 176.991 177.197 -0.206 1
1 939 . 13 1 1 A 91 91 VAL CA C 91 66.851 65.115 1.736 1
1 940 . 13 1 1 A 91 91 VAL CB C 91 31.599 31.256 0.343 1
1 943 . 13 1 1 A 91 91 VAL N N 91 119.934 119.678 0.256 1
1 944 . 13 1 1 A 92 92 ASP H H 92 7.192 8.051 -0.859 1
1 945 . 13 1 1 A 92 92 ASP HA H 92 4.321 4.340 -0.019 1
1 947 . 13 1 1 A 92 92 ASP C C 92 178.585 177.962 0.623 1
1 948 . 13 1 1 A 92 92 ASP CA C 92 57.401 57.500 -0.099 1
1 949 . 13 1 1 A 92 92 ASP CB C 92 40.078 42.096 -2.018 1
1 950 . 13 1 1 A 92 92 ASP N N 92 117.084 121.491 -4.407 1
1 951 . 13 1 1 A 93 93 ALA H H 93 6.946 7.875 -0.929 1
1 952 . 13 1 1 A 93 93 ALA HA H 93 4.186 4.191 -0.005 1
1 956 . 13 1 1 A 93 93 ALA C C 93 179.272 179.872 -0.600 1
1 957 . 13 1 1 A 93 93 ALA CA C 93 54.445 54.623 -0.178 1
1 958 . 13 1 1 A 93 93 ALA CB C 93 18.164 18.253 -0.089 1
1 959 . 13 1 1 A 93 93 ALA N N 93 121.045 120.667 0.378 1
1 960 . 13 1 1 A 94 94 ALA H H 94 8.033 7.851 0.182 1
1 961 . 13 1 1 A 94 94 ALA HA H 94 4.545 4.242 0.303 1
1 965 . 13 1 1 A 94 94 ALA C C 94 180.529 179.712 0.817 1
1 966 . 13 1 1 A 94 94 ALA CA C 94 55.518 55.221 0.297 1
1 967 . 13 1 1 A 94 94 ALA CB C 94 19.455 18.787 0.668 1
1 968 . 13 1 1 A 94 94 ALA N N 94 122.191 120.578 1.613 1
1 969 . 13 1 1 A 95 95 VAL H H 95 8.565 8.455 0.110 1
1 970 . 13 1 1 A 95 95 VAL HA H 95 3.741 3.943 -0.202 1
1 978 . 13 1 1 A 95 95 VAL C C 95 178.767 177.767 1.000 1
1 979 . 13 1 1 A 95 95 VAL CA C 95 65.820 64.797 1.023 1
1 980 . 13 1 1 A 95 95 VAL CB C 95 31.501 31.482 0.019 1
1 983 . 13 1 1 A 95 95 VAL N N 95 117.405 116.745 0.660 1
1 984 . 13 1 1 A 96 96 ALA H H 96 7.354 7.826 -0.472 1
1 985 . 13 1 1 A 96 96 ALA HA H 96 4.403 4.203 0.200 1
1 989 . 13 1 1 A 96 96 ALA C C 96 178.242 177.883 0.359 1
1 990 . 13 1 1 A 96 96 ALA CA C 96 53.916 53.918 -0.002 1
1 991 . 13 1 1 A 96 96 ALA CB C 96 17.841 18.357 -0.516 1
1 992 . 13 1 1 A 96 96 ALA N N 96 122.769 123.746 -0.977 1
1 993 . 13 1 1 A 97 97 MET H H 97 7.980 7.907 0.073 1
1 994 . 13 1 1 A 97 97 MET HA H 97 4.471 4.688 -0.217 1
1 1002 . 13 1 1 A 97 97 MET C C 97 175.959 177.076 -1.117 1
1 1003 . 13 1 1 A 97 97 MET CA C 97 55.150 54.405 0.745 1
1 1004 . 13 1 1 A 97 97 MET CB C 97 31.663 32.989 -1.326 1
1 1007 . 13 1 1 A 97 97 MET N N 97 115.573 116.968 -1.395 1
1 1008 . 13 1 1 A 98 98 ASP H H 98 7.852 8.451 -0.599 1
1 1009 . 13 1 1 A 98 98 ASP HA H 98 4.422 4.445 -0.023 1
1 1012 . 13 1 1 A 98 98 ASP C C 98 175.976 176.271 -0.295 1
1 1013 . 13 1 1 A 98 98 ASP CA C 98 57.476 56.910 0.566 1
1 1014 . 13 1 1 A 98 98 ASP CB C 98 42.008 40.532 1.476 1
1 1015 . 13 1 1 A 98 98 ASP N N 98 121.576 119.433 2.143 1
1 1016 . 13 1 1 A 99 99 GLU H H 99 8.643 7.918 0.725 1
1 1017 . 13 1 1 A 99 99 GLU HA H 99 4.154 4.913 -0.759 1
1 1022 . 13 1 1 A 99 99 GLU C C 99 176.369 174.984 1.385 1
1 1023 . 13 1 1 A 99 99 GLU CA C 99 58.403 55.397 3.006 1
1 1024 . 13 1 1 A 99 99 GLU CB C 99 26.214 31.206 -4.992 1
1 1026 . 13 1 1 A 99 99 GLU N N 99 119.455 118.818 0.637 1
1 1027 . 13 1 1 A 100 100 THR H H 100 7.416 8.523 -1.107 1
1 1028 . 13 1 1 A 100 100 THR HA H 100 4.498 5.165 -0.667 1
1 1033 . 13 1 1 A 100 100 THR C C 100 172.876 171.870 1.006 1
1 1034 . 13 1 1 A 100 100 THR CA C 100 61.065 59.962 1.103 1
1 1035 . 13 1 1 A 100 100 THR CB C 100 72.140 73.001 -0.861 1
1 1037 . 13 1 1 A 100 100 THR N N 100 107.670 117.745 -10.075 1
1 1038 . 13 1 1 A 101 101 VAL H H 101 8.252 8.941 -0.689 1
1 1039 . 13 1 1 A 101 101 VAL HA H 101 4.638 5.184 -0.546 1
1 1047 . 13 1 1 A 101 101 VAL C C 101 176.138 173.939 2.199 1
1 1048 . 13 1 1 A 101 101 VAL CA C 101 62.299 59.995 2.304 1
1 1049 . 13 1 1 A 101 101 VAL CB C 101 32.215 34.174 -1.959 1
1 1052 . 13 1 1 A 101 101 VAL N N 101 118.227 121.694 -3.467 1
1 1053 . 13 1 1 A 102 102 PHE H H 102 9.300 9.622 -0.322 1
1 1054 . 13 1 1 A 102 102 PHE HA H 102 4.671 4.854 -0.183 1
1 1061 . 13 1 1 A 102 102 PHE C C 102 174.216 175.003 -0.787 1
1 1062 . 13 1 1 A 102 102 PHE CA C 102 56.205 57.224 -1.019 1
1 1063 . 13 1 1 A 102 102 PHE CB C 102 41.707 41.837 -0.130 1
1 1064 . 13 1 1 A 102 102 PHE N N 102 128.863 130.602 -1.739 1
1 1065 . 13 1 1 A 103 103 ARG H H 103 9.167 8.945 0.222 1
1 1066 . 13 1 1 A 103 103 ARG HA H 103 3.389 3.840 -0.451 1
1 1075 . 13 1 1 A 103 103 ARG C C 103 176.014 175.371 0.643 1
1 1076 . 13 1 1 A 103 103 ARG CA C 103 57.215 56.908 0.307 1
1 1077 . 13 1 1 A 103 103 ARG CB C 103 27.382 29.043 -1.661 1
1 1080 . 13 1 1 A 103 103 ARG N N 103 128.268 126.794 1.474 1
1 1082 . 13 1 1 A 104 104 GLY H H 104 8.005 8.656 -0.651 1
1 1083 . 13 1 1 A 104 104 GLY HA2 H 104 4.006 3.833 0.173 1
1 1084 . 13 1 1 A 104 104 GLY HA3 H 104 3.455 3.835 -0.380 1
1 1085 . 13 1 1 A 104 104 GLY C C 104 173.766 173.622 0.144 1
1 1086 . 13 1 1 A 104 104 GLY CA C 104 45.598 45.382 0.216 1
1 1087 . 13 1 1 A 104 104 GLY N N 104 101.324 104.839 -3.515 1
1 1088 . 13 1 1 A 105 105 ARG H H 105 7.681 7.718 -0.037 1
1 1089 . 13 1 1 A 105 105 ARG HA H 105 4.735 4.917 -0.182 1
1 1097 . 13 1 1 A 105 105 ARG C C 105 174.543 174.936 -0.393 1
1 1098 . 13 1 1 A 105 105 ARG CA C 105 54.071 54.074 -0.003 1
1 1099 . 13 1 1 A 105 105 ARG CB C 105 33.159 33.756 -0.597 1
1 1102 . 13 1 1 A 105 105 ARG N N 105 119.837 116.173 3.664 1
1 1104 . 13 1 1 A 106 106 THR H H 106 8.604 8.696 -0.092 1
1 1105 . 13 1 1 A 106 106 THR HA H 106 4.593 4.985 -0.392 1
1 1110 . 13 1 1 A 106 106 THR C C 106 175.643 174.498 1.145 1
1 1111 . 13 1 1 A 106 106 THR CA C 106 62.821 63.062 -0.241 1
1 1112 . 13 1 1 A 106 106 THR CB C 106 68.784 69.039 -0.255 1
1 1114 . 13 1 1 A 106 106 THR N N 106 118.251 117.021 1.230 1
1 1115 . 13 1 1 A 107 107 ILE H H 107 8.756 8.939 -0.183 1
1 1116 . 13 1 1 A 107 107 ILE HA H 107 4.884 4.930 -0.046 1
1 1126 . 13 1 1 A 107 107 ILE C C 107 174.877 174.011 0.866 1
1 1127 . 13 1 1 A 107 107 ILE CA C 107 60.834 59.038 1.796 1
1 1128 . 13 1 1 A 107 107 ILE CB C 107 40.644 39.973 0.671 1
1 1132 . 13 1 1 A 107 107 ILE N N 107 123.422 123.999 -0.577 1
1 1133 . 13 1 1 A 108 108 LYS H H 108 7.412 8.337 -0.925 1
1 1134 . 13 1 1 A 108 108 LYS HA H 108 5.524 5.729 -0.205 1
1 1141 . 13 1 1 A 108 108 LYS C C 108 175.839 174.866 0.973 1
1 1142 . 13 1 1 A 108 108 LYS CA C 108 52.172 54.666 -2.494 1
1 1143 . 13 1 1 A 108 108 LYS CB C 108 33.947 36.009 -2.062 1
1 1147 . 13 1 1 A 108 108 LYS N N 108 121.402 122.735 -1.333 1
1 1148 . 13 1 1 A 109 109 VAL H H 109 9.467 8.941 0.526 1
1 1149 . 13 1 1 A 109 109 VAL HA H 109 5.410 5.782 -0.372 1
1 1157 . 13 1 1 A 109 109 VAL C C 109 174.514 174.918 -0.404 1
1 1158 . 13 1 1 A 109 109 VAL CA C 109 61.258 60.985 0.273 1
1 1159 . 13 1 1 A 109 109 VAL CB C 109 34.289 34.283 0.006 1
1 1162 . 13 1 1 A 109 109 VAL N N 109 125.530 126.274 -0.744 1
1 1163 . 13 1 1 A 110 110 LEU H H 110 9.081 9.258 -0.177 1
1 1164 . 13 1 1 A 110 110 LEU HA H 110 5.109 4.883 0.226 1
1 1173 . 13 1 1 A 110 110 LEU CA C 110 51.660 51.030 0.630 1
1 1174 . 13 1 1 A 110 110 LEU CB C 110 46.037 45.402 0.635 1
1 1178 . 13 1 1 A 110 110 LEU N N 110 125.323 126.739 -1.416 1
1 1179 . 13 1 1 A 111 111 PRO HA H 111 4.539 4.849 -0.310 1
1 1186 . 13 1 1 A 111 111 PRO C C 111 176.222 175.885 0.337 1
1 1187 . 13 1 1 A 111 111 PRO CA C 111 63.390 62.598 0.792 1
1 1188 . 13 1 1 A 111 111 PRO CB C 111 31.697 32.582 -0.885 1
1 1191 . 13 1 1 A 112 112 LYS H H 112 8.121 8.903 -0.782 1
1 1192 . 13 1 1 A 112 112 LYS HA H 112 4.113 4.844 -0.731 1
1 1199 . 13 1 1 A 112 112 LYS C C 112 175.830 176.500 -0.670 1
1 1200 . 13 1 1 A 112 112 LYS CA C 112 58.405 55.532 2.873 1
1 1201 . 13 1 1 A 112 112 LYS CB C 112 33.746 33.555 0.191 1
1 1204 . 13 1 1 A 112 112 LYS N N 112 124.317 122.311 2.006 1
1 1205 . 13 1 1 A 113 113 ARG H H 113 8.228 8.647 -0.419 1
1 1206 . 13 1 1 A 113 113 ARG HA H 113 4.451 4.581 -0.130 1
1 1211 . 13 1 1 A 113 113 ARG C C 113 175.758 175.270 0.488 1
1 1212 . 13 1 1 A 113 113 ARG CA C 113 55.468 57.047 -1.579 1
1 1213 . 13 1 1 A 113 113 ARG CB C 113 31.550 33.091 -1.541 1
1 1215 . 13 1 1 A 113 113 ARG N N 113 121.228 127.008 -5.780 1
1 1216 . 13 1 1 A 114 114 THR H H 114 8.138 7.762 0.376 1
1 1217 . 13 1 1 A 114 114 THR HA H 114 4.264 4.543 -0.279 1
1 1222 . 13 1 1 A 114 114 THR C C 114 174.043 174.317 -0.274 1
1 1223 . 13 1 1 A 114 114 THR CA C 114 62.229 60.965 1.264 1
1 1224 . 13 1 1 A 114 114 THR CB C 114 69.682 68.675 1.007 1
1 1226 . 13 1 1 A 114 114 THR N N 114 116.384 109.447 6.937 1
1 1227 . 13 1 1 A 115 115 ASN H H 115 8.406 9.033 -0.627 1
1 1228 . 13 1 1 A 115 115 ASN HA H 115 4.682 4.701 -0.019 1
1 1233 . 13 1 1 A 115 115 ASN C C 115 174.513 174.891 -0.378 1
1 1234 . 13 1 1 A 115 115 ASN CA C 115 53.242 54.865 -1.623 1
1 1235 . 13 1 1 A 115 115 ASN CB C 115 38.888 39.849 -0.961 1
1 1236 . 13 1 1 A 115 115 ASN N N 115 120.871 124.242 -3.371 1
1 1238 . 13 1 1 A 116 116 MET H H 116 8.138 7.843 0.295 1
1 1239 . 13 1 1 A 116 116 MET CA C 116 53.400 53.099 0.301 1
1 1240 . 13 1 1 A 116 116 MET CB C 116 32.829 36.264 -3.435 1
1 1241 . 13 1 1 A 116 116 MET N N 116 121.611 116.468 5.143 1
1 1242 . 13 1 1 A 117 117 PRO HA H 117 4.428 4.266 0.162 1
1 1245 . 13 1 1 A 117 117 PRO C C 117 175.935 177.287 -1.352 1
1 1246 . 13 1 1 A 117 117 PRO CA C 117 63.489 63.699 -0.210 1
1 1247 . 13 1 1 A 117 117 PRO CB C 117 32.105 31.473 0.632 1
1 1248 . 13 1 1 A 118 118 GLY H H 118 8.411 8.743 -0.332 1
1 1249 . 13 1 1 A 118 118 GLY HA2 H 118 3.927 3.966 -0.039 1
1 1250 . 13 1 1 A 118 118 GLY HA3 H 118 4.389 3.966 0.423 1
1 1251 . 13 1 1 A 118 118 GLY C C 118 174.117 173.384 0.733 1
1 1252 . 13 1 1 A 118 118 GLY CA C 118 45.470 46.480 -1.010 1
1 1253 . 13 1 1 A 118 118 GLY N N 118 109.241 111.943 -2.702 1
1 1254 . 13 1 1 A 119 119 ILE H H 119 7.825 7.841 -0.016 1
1 1255 . 13 1 1 A 119 119 ILE HA H 119 4.234 4.864 -0.630 1
1 1265 . 13 1 1 A 119 119 ILE C C 119 176.261 173.226 3.035 1
1 1266 . 13 1 1 A 119 119 ILE CA C 119 61.029 59.022 2.007 1
1 1267 . 13 1 1 A 119 119 ILE CB C 119 38.878 42.038 -3.160 1
1 1270 . 13 1 1 A 119 119 ILE N N 119 119.504 123.452 -3.948 1
1 1271 . 13 1 1 A 120 120 SER H H 120 8.397 8.899 -0.502 1
1 1272 . 13 1 1 A 120 120 SER HA H 120 4.534 5.041 -0.507 1
1 1274 . 13 1 1 A 120 120 SER C C 120 174.692 173.516 1.176 1
1 1275 . 13 1 1 A 120 120 SER CA C 120 58.150 57.909 0.241 1
1 1276 . 13 1 1 A 120 120 SER CB C 120 63.997 64.192 -0.195 1
1 1277 . 13 1 1 A 120 120 SER N N 120 119.359 125.939 -6.580 1
1 1278 . 13 1 1 A 121 121 SER H H 121 8.371 9.020 -0.649 1
1 1279 . 13 1 1 A 121 121 SER HA H 121 4.360 5.024 -0.664 1
1 1280 . 13 1 1 A 121 121 SER C C 121 174.809 173.878 0.931 1
1 1281 . 13 1 1 A 121 121 SER CA C 121 58.656 58.121 0.535 1
1 1282 . 13 1 1 A 121 121 SER CB C 121 63.795 63.615 0.180 1
1 1283 . 13 1 1 A 121 121 SER N N 121 118.036 123.555 -5.519 1
1 1284 . 13 1 1 A 122 122 THR H H 122 8.100 8.762 -0.662 1
1 1285 . 13 1 1 A 122 122 THR C C 122 174.254 174.624 -0.370 1
1 1286 . 13 1 1 A 122 122 THR CA C 122 61.829 62.934 -1.105 1
1 1287 . 13 1 1 A 122 122 THR CB C 122 69.537 69.424 0.113 1
1 1288 . 13 1 1 A 122 122 THR N N 122 114.163 122.389 -8.226 1
1 1289 . 13 1 1 A 123 123 ASP H H 123 8.197 8.492 -0.295 1
1 1290 . 13 1 1 A 123 123 ASP HA H 123 4.641 4.607 0.034 1
1 1292 . 13 1 1 A 123 123 ASP C C 123 174.975 175.921 -0.946 1
1 1293 . 13 1 1 A 123 123 ASP CA C 123 54.542 54.992 -0.450 1
1 1294 . 13 1 1 A 123 123 ASP CB C 123 41.144 41.368 -0.224 1
1 1295 . 13 1 1 A 123 123 ASP N N 123 122.772 125.320 -2.548 1
1 8 . 14 1 1 A 2 2 ILE H H 2 8.420 8.840 -0.420 1
1 9 . 14 1 1 A 2 2 ILE HA H 2 4.219 4.540 -0.321 1
1 11 . 14 1 1 A 2 2 ILE C C 2 175.424 175.451 -0.027 1
1 12 . 14 1 1 A 2 2 ILE CA C 2 61.022 61.460 -0.438 1
1 13 . 14 1 1 A 2 2 ILE CB C 2 38.918 36.816 2.102 1
1 14 . 14 1 1 A 2 2 ILE N N 2 120.314 124.233 -3.919 1
1 15 . 14 1 1 A 3 3 ALA H H 3 8.374 8.574 -0.200 1
1 16 . 14 1 1 A 3 3 ALA CA C 3 50.509 49.414 1.095 1
1 17 . 14 1 1 A 3 3 ALA CB C 3 18.608 22.156 -3.548 1
1 18 . 14 1 1 A 3 3 ALA N N 3 129.874 129.145 0.729 1
1 19 . 14 1 1 A 4 4 PRO HA H 4 4.446 4.703 -0.257 1
1 22 . 14 1 1 A 4 4 PRO C C 4 176.949 176.178 0.771 1
1 23 . 14 1 1 A 4 4 PRO CA C 4 63.456 62.655 0.801 1
1 24 . 14 1 1 A 4 4 PRO CB C 4 32.203 31.521 0.682 1
1 25 . 14 1 1 A 5 5 CYS H H 5 8.347 8.723 -0.376 1
1 26 . 14 1 1 A 5 5 CYS HA H 5 4.492 4.819 -0.327 1
1 28 . 14 1 1 A 5 5 CYS C C 5 174.805 174.017 0.788 1
1 29 . 14 1 1 A 5 5 CYS CA C 5 58.495 58.157 0.338 1
1 30 . 14 1 1 A 5 5 CYS CB C 5 27.957 28.397 -0.440 1
1 31 . 14 1 1 A 5 5 CYS N N 5 118.477 122.012 -3.535 1
1 32 . 14 1 1 A 6 6 MET H H 6 8.421 8.849 -0.428 1
1 33 . 14 1 1 A 6 6 MET HA H 6 4.534 5.087 -0.553 1
1 35 . 14 1 1 A 6 6 MET C C 6 176.132 174.876 1.256 1
1 36 . 14 1 1 A 6 6 MET CA C 6 55.629 54.139 1.490 1
1 37 . 14 1 1 A 6 6 MET CB C 6 33.048 37.105 -4.057 1
1 38 . 14 1 1 A 6 6 MET N N 6 122.952 126.106 -3.154 1
1 39 . 14 1 1 A 7 7 GLN H H 7 8.313 8.379 -0.066 1
1 40 . 14 1 1 A 7 7 GLN HA H 7 4.435 4.555 -0.120 1
1 42 . 14 1 1 A 7 7 GLN C C 7 176.128 175.758 0.370 1
1 43 . 14 1 1 A 7 7 GLN CA C 7 56.109 55.689 0.420 1
1 44 . 14 1 1 A 7 7 GLN CB C 7 29.591 28.960 0.631 1
1 45 . 14 1 1 A 7 7 GLN N N 7 121.379 122.000 -0.621 1
1 46 . 14 1 1 A 8 8 THR H H 8 8.195 8.475 -0.280 1
1 47 . 14 1 1 A 8 8 THR HA H 8 4.406 4.715 -0.309 1
1 49 . 14 1 1 A 8 8 THR C C 8 174.739 173.570 1.169 1
1 50 . 14 1 1 A 8 8 THR CA C 8 61.856 61.374 0.482 1
1 51 . 14 1 1 A 8 8 THR CB C 8 69.854 69.316 0.538 1
1 52 . 14 1 1 A 8 8 THR N N 8 115.096 117.422 -2.326 1
1 53 . 14 1 1 A 9 9 THR H H 9 8.081 8.104 -0.023 1
1 54 . 14 1 1 A 9 9 THR HA H 9 4.335 4.691 -0.356 1
1 56 . 14 1 1 A 9 9 THR C C 9 174.407 172.446 1.961 1
1 57 . 14 1 1 A 9 9 THR CA C 9 61.896 61.365 0.531 1
1 58 . 14 1 1 A 9 9 THR CB C 9 69.811 70.591 -0.780 1
1 59 . 14 1 1 A 9 9 THR N N 9 115.837 120.729 -4.892 1
1 60 . 14 1 1 A 10 10 HIS H H 10 8.477 9.136 -0.659 1
1 61 . 14 1 1 A 10 10 HIS HA H 10 4.788 4.966 -0.178 1
1 64 . 14 1 1 A 10 10 HIS C C 10 174.571 174.062 0.509 1
1 65 . 14 1 1 A 10 10 HIS CA C 10 55.477 55.095 0.382 1
1 66 . 14 1 1 A 10 10 HIS CB C 10 29.291 31.633 -2.342 1
1 67 . 14 1 1 A 10 10 HIS N N 10 120.606 129.948 -9.342 1
1 68 . 14 1 1 A 11 11 SER H H 11 8.306 8.386 -0.080 1
1 69 . 14 1 1 A 11 11 SER HA H 11 4.448 4.280 0.168 1
1 71 . 14 1 1 A 11 11 SER C C 11 174.512 173.372 1.140 1
1 72 . 14 1 1 A 11 11 SER CA C 11 58.557 58.236 0.321 1
1 73 . 14 1 1 A 11 11 SER CB C 11 63.943 62.767 1.176 1
1 74 . 14 1 1 A 11 11 SER N N 11 117.043 121.642 -4.599 1
1 75 . 14 1 1 A 12 12 LYS H H 12 8.402 8.699 -0.297 1
1 76 . 14 1 1 A 12 12 LYS HA H 12 4.359 4.974 -0.615 1
1 79 . 14 1 1 A 12 12 LYS C C 12 176.592 174.693 1.899 1
1 80 . 14 1 1 A 12 12 LYS CA C 12 56.634 54.814 1.820 1
1 81 . 14 1 1 A 12 12 LYS CB C 12 33.127 35.039 -1.912 1
1 82 . 14 1 1 A 12 12 LYS N N 12 123.023 129.062 -6.039 1
1 83 . 14 1 1 A 13 13 MET H H 13 8.343 9.137 -0.794 1
1 84 . 14 1 1 A 13 13 MET HA H 13 4.530 5.558 -1.028 1
1 88 . 14 1 1 A 13 13 MET C C 13 176.373 174.968 1.405 1
1 89 . 14 1 1 A 13 13 MET CA C 13 55.680 53.320 2.360 1
1 90 . 14 1 1 A 13 13 MET CB C 13 32.925 35.275 -2.350 1
1 91 . 14 1 1 A 13 13 MET N N 13 121.294 124.161 -2.867 1
1 92 . 14 1 1 A 14 14 THR H H 14 8.068 8.889 -0.821 1
1 93 . 14 1 1 A 14 14 THR HA H 14 4.333 4.731 -0.398 1
1 97 . 14 1 1 A 14 14 THR C C 14 174.246 172.800 1.446 1
1 98 . 14 1 1 A 14 14 THR CA C 14 61.770 61.361 0.409 1
1 99 . 14 1 1 A 14 14 THR CB C 14 69.894 72.359 -2.465 1
1 100 . 14 1 1 A 14 14 THR N N 14 115.254 115.391 -0.137 1
1 101 . 14 1 1 A 15 15 ALA H H 15 8.289 8.468 -0.179 1
1 102 . 14 1 1 A 15 15 ALA HA H 15 4.344 4.425 -0.081 1
1 106 . 14 1 1 A 15 15 ALA C C 15 178.080 176.740 1.340 1
1 107 . 14 1 1 A 15 15 ALA CA C 15 52.779 51.532 1.247 1
1 108 . 14 1 1 A 15 15 ALA CB C 15 19.286 18.430 0.856 1
1 109 . 14 1 1 A 15 15 ALA N N 15 126.372 127.589 -1.217 1
1 110 . 14 1 1 A 16 16 GLY H H 16 8.291 8.578 -0.287 1
1 111 . 14 1 1 A 16 16 GLY HA2 H 16 3.913 3.937 -0.024 1
1 112 . 14 1 1 A 16 16 GLY C C 16 173.788 173.660 0.128 1
1 113 . 14 1 1 A 16 16 GLY CA C 16 45.298 47.414 -2.116 1
1 114 . 14 1 1 A 16 16 GLY N N 16 108.095 111.001 -2.906 1
1 115 . 14 1 1 A 17 17 ALA H H 17 8.000 8.495 -0.495 1
1 116 . 14 1 1 A 17 17 ALA HA H 17 4.292 4.736 -0.444 1
1 120 . 14 1 1 A 17 17 ALA C C 17 177.366 176.100 1.266 1
1 121 . 14 1 1 A 17 17 ALA CA C 17 52.518 50.891 1.627 1
1 122 . 14 1 1 A 17 17 ALA CB C 17 19.577 21.629 -2.052 1
1 123 . 14 1 1 A 17 17 ALA N N 17 123.370 123.416 -0.046 1
1 124 . 14 1 1 A 18 18 TYR H H 18 8.135 8.513 -0.378 1
1 125 . 14 1 1 A 18 18 TYR HA H 18 4.640 4.222 0.418 1
1 129 . 14 1 1 A 18 18 TYR C C 18 176.031 175.495 0.536 1
1 130 . 14 1 1 A 18 18 TYR CA C 18 57.973 58.543 -0.570 1
1 131 . 14 1 1 A 18 18 TYR CB C 18 38.661 36.501 2.160 1
1 132 . 14 1 1 A 18 18 TYR N N 18 119.212 114.721 4.491 1
1 133 . 14 1 1 A 19 19 THR H H 19 7.912 8.001 -0.089 1
1 134 . 14 1 1 A 19 19 THR HA H 19 4.267 4.451 -0.184 1
1 139 . 14 1 1 A 19 19 THR C C 19 173.995 174.515 -0.520 1
1 140 . 14 1 1 A 19 19 THR CA C 19 61.848 63.892 -2.044 1
1 141 . 14 1 1 A 19 19 THR CB C 19 69.756 70.625 -0.869 1
1 142 . 14 1 1 A 19 19 THR N N 19 115.764 110.220 5.544 1
1 143 . 14 1 1 A 20 20 GLU H H 20 8.077 8.225 -0.148 1
1 144 . 14 1 1 A 20 20 GLU HA H 20 4.301 4.178 0.123 1
1 148 . 14 1 1 A 20 20 GLU C C 20 176.128 175.929 0.199 1
1 149 . 14 1 1 A 20 20 GLU CA C 20 56.312 58.597 -2.285 1
1 150 . 14 1 1 A 20 20 GLU CB C 20 30.423 28.480 1.943 1
1 152 . 14 1 1 A 20 20 GLU N N 20 122.553 119.820 2.733 1
1 153 . 14 1 1 A 21 21 GLY H H 21 7.966 8.580 -0.614 1
1 154 . 14 1 1 A 21 21 GLY HA2 H 21 3.903 4.071 -0.168 1
1 155 . 14 1 1 A 21 21 GLY CA C 21 44.257 44.021 0.236 1
1 156 . 14 1 1 A 21 21 GLY N N 21 109.544 108.981 0.563 1
1 157 . 14 1 1 A 22 22 PRO HA H 22 4.232 4.298 -0.066 1
1 164 . 14 1 1 A 22 22 PRO CA C 22 61.109 64.852 -3.743 1
1 165 . 14 1 1 A 22 22 PRO CB C 22 30.711 31.778 -1.067 1
1 168 . 14 1 1 A 23 23 PRO HA H 23 4.363 4.705 -0.342 1
1 174 . 14 1 1 A 23 23 PRO C C 23 176.567 175.471 1.096 1
1 175 . 14 1 1 A 23 23 PRO CA C 23 62.733 62.226 0.507 1
1 176 . 14 1 1 A 23 23 PRO CB C 23 32.048 32.898 -0.850 1
1 179 . 14 1 1 A 24 24 GLN H H 24 8.286 8.241 0.045 1
1 180 . 14 1 1 A 24 24 GLN HA H 24 4.479 4.806 -0.327 1
1 186 . 14 1 1 A 24 24 GLN CA C 24 53.763 51.801 1.962 1
1 187 . 14 1 1 A 24 24 GLN CB C 24 28.800 29.940 -1.140 1
1 189 . 14 1 1 A 24 24 GLN N N 24 121.215 119.363 1.852 1
1 191 . 14 1 1 A 25 25 PRO HA H 25 4.389 4.826 -0.437 1
1 198 . 14 1 1 A 25 25 PRO C C 25 176.707 176.273 0.434 1
1 199 . 14 1 1 A 25 25 PRO CA C 25 62.867 62.529 0.338 1
1 200 . 14 1 1 A 25 25 PRO CB C 25 32.174 31.715 0.459 1
1 203 . 14 1 1 A 26 26 LEU H H 26 8.244 8.362 -0.118 1
1 204 . 14 1 1 A 26 26 LEU HA H 26 4.405 4.962 -0.557 1
1 214 . 14 1 1 A 26 26 LEU C C 26 177.517 174.483 3.034 1
1 215 . 14 1 1 A 26 26 LEU CA C 26 54.643 53.435 1.208 1
1 216 . 14 1 1 A 26 26 LEU CB C 26 43.618 45.110 -1.492 1
1 220 . 14 1 1 A 26 26 LEU N N 26 122.745 118.802 3.943 1
1 221 . 14 1 1 A 27 27 SER H H 27 8.758 8.667 0.091 1
1 222 . 14 1 1 A 27 27 SER HA H 27 4.474 4.799 -0.325 1
1 225 . 14 1 1 A 27 27 SER C C 27 174.789 175.653 -0.864 1
1 226 . 14 1 1 A 27 27 SER CA C 27 57.461 57.056 0.405 1
1 227 . 14 1 1 A 27 27 SER CB C 27 65.280 64.913 0.367 1
1 228 . 14 1 1 A 27 27 SER N N 27 117.967 115.945 2.022 1
1 229 . 14 1 1 A 28 28 ALA H H 28 8.841 9.045 -0.204 1
1 230 . 14 1 1 A 28 28 ALA HA H 28 4.037 3.996 0.041 1
1 234 . 14 1 1 A 28 28 ALA CA C 28 55.346 55.469 -0.123 1
1 235 . 14 1 1 A 28 28 ALA CB C 28 18.347 18.126 0.221 1
1 236 . 14 1 1 A 28 28 ALA N N 28 124.144 129.088 -4.944 1
1 237 . 14 1 1 A 29 29 GLU H H 29 8.565 8.148 0.417 1
1 238 . 14 1 1 A 29 29 GLU HA H 29 4.026 4.033 -0.007 1
1 242 . 14 1 1 A 29 29 GLU C C 29 178.877 179.430 -0.553 1
1 243 . 14 1 1 A 29 29 GLU CA C 29 59.430 59.482 -0.052 1
1 244 . 14 1 1 A 29 29 GLU CB C 29 29.244 29.070 0.174 1
1 246 . 14 1 1 A 29 29 GLU N N 29 117.527 117.945 -0.418 1
1 247 . 14 1 1 A 30 30 GLU H H 30 7.823 8.228 -0.405 1
1 248 . 14 1 1 A 30 30 GLU HA H 30 4.054 4.094 -0.040 1
1 253 . 14 1 1 A 30 30 GLU C C 30 179.191 179.405 -0.214 1
1 254 . 14 1 1 A 30 30 GLU CA C 30 59.037 59.297 -0.260 1
1 255 . 14 1 1 A 30 30 GLU CB C 30 30.102 29.333 0.769 1
1 257 . 14 1 1 A 30 30 GLU N N 30 120.773 119.896 0.877 1
1 258 . 14 1 1 A 31 31 LYS H H 31 8.246 7.638 0.608 1
1 259 . 14 1 1 A 31 31 LYS HA H 31 3.844 4.123 -0.279 1
1 266 . 14 1 1 A 31 31 LYS C C 31 177.968 179.780 -1.812 1
1 267 . 14 1 1 A 31 31 LYS CA C 31 59.889 59.478 0.411 1
1 268 . 14 1 1 A 31 31 LYS CB C 31 32.350 32.391 -0.041 1
1 272 . 14 1 1 A 31 31 LYS N N 31 119.315 119.506 -0.191 1
1 273 . 14 1 1 A 32 32 LYS H H 32 7.698 7.543 0.155 1
1 274 . 14 1 1 A 32 32 LYS HA H 32 4.043 4.042 0.001 1
1 282 . 14 1 1 A 32 32 LYS C C 32 178.848 179.612 -0.764 1
1 283 . 14 1 1 A 32 32 LYS CA C 32 59.479 60.013 -0.534 1
1 284 . 14 1 1 A 32 32 LYS CB C 32 32.459 32.008 0.451 1
1 288 . 14 1 1 A 32 32 LYS N N 32 118.195 119.485 -1.290 1
1 289 . 14 1 1 A 33 33 GLU H H 33 7.512 7.509 0.003 1
1 290 . 14 1 1 A 33 33 GLU HA H 33 4.031 4.116 -0.085 1
1 295 . 14 1 1 A 33 33 GLU C C 33 178.989 179.792 -0.803 1
1 296 . 14 1 1 A 33 33 GLU CA C 33 59.157 59.067 0.090 1
1 297 . 14 1 1 A 33 33 GLU CB C 33 29.220 29.899 -0.679 1
1 299 . 14 1 1 A 33 33 GLU N N 33 118.459 119.865 -1.406 1
1 300 . 14 1 1 A 34 34 ILE H H 34 7.912 7.785 0.127 1
1 301 . 14 1 1 A 34 34 ILE HA H 34 3.503 3.834 -0.331 1
1 311 . 14 1 1 A 34 34 ILE C C 34 180.639 177.764 2.875 1
1 312 . 14 1 1 A 34 34 ILE CA C 34 65.305 64.154 1.151 1
1 313 . 14 1 1 A 34 34 ILE CB C 34 38.540 37.443 1.097 1
1 317 . 14 1 1 A 34 34 ILE N N 34 120.176 117.907 2.269 1
1 318 . 14 1 1 A 35 35 ASP H H 35 8.457 8.410 0.047 1
1 319 . 14 1 1 A 35 35 ASP HA H 35 4.145 4.385 -0.240 1
1 322 . 14 1 1 A 35 35 ASP C C 35 178.790 179.051 -0.261 1
1 323 . 14 1 1 A 35 35 ASP CA C 35 58.322 57.504 0.818 1
1 324 . 14 1 1 A 35 35 ASP CB C 35 39.538 40.015 -0.477 1
1 325 . 14 1 1 A 35 35 ASP N N 35 123.589 122.022 1.567 1
1 326 . 14 1 1 A 36 36 LYS H H 36 7.573 7.811 -0.238 1
1 327 . 14 1 1 A 36 36 LYS HA H 36 4.187 4.173 0.014 1
1 334 . 14 1 1 A 36 36 LYS C C 36 176.400 178.352 -1.952 1
1 335 . 14 1 1 A 36 36 LYS CA C 36 58.656 59.165 -0.509 1
1 336 . 14 1 1 A 36 36 LYS CB C 36 32.991 32.502 0.489 1
1 340 . 14 1 1 A 36 36 LYS N N 36 117.506 119.298 -1.792 1
1 341 . 14 1 1 A 37 37 ARG H H 37 7.397 7.406 -0.009 1
1 342 . 14 1 1 A 37 37 ARG HA H 37 4.658 4.457 0.201 1
1 348 . 14 1 1 A 37 37 ARG C C 37 174.361 175.714 -1.353 1
1 349 . 14 1 1 A 37 37 ARG CA C 37 55.793 55.727 0.066 1
1 350 . 14 1 1 A 37 37 ARG CB C 37 31.260 30.971 0.289 1
1 353 . 14 1 1 A 37 37 ARG N N 37 115.182 117.007 -1.825 1
1 354 . 14 1 1 A 38 38 SER H H 38 7.416 7.633 -0.217 1
1 355 . 14 1 1 A 38 38 SER HA H 38 6.346 4.842 1.504 1
1 358 . 14 1 1 A 38 38 SER C C 38 173.807 173.767 0.040 1
1 359 . 14 1 1 A 38 38 SER CA C 38 57.574 57.205 0.369 1
1 360 . 14 1 1 A 38 38 SER CB C 38 67.003 64.887 2.116 1
1 361 . 14 1 1 A 38 38 SER N N 38 112.872 116.433 -3.561 1
1 362 . 14 1 1 A 39 39 VAL H H 39 8.812 9.099 -0.287 1
1 363 . 14 1 1 A 39 39 VAL HA H 39 5.117 5.224 -0.107 1
1 371 . 14 1 1 A 39 39 VAL C C 39 174.519 173.339 1.180 1
1 372 . 14 1 1 A 39 39 VAL CA C 39 59.085 58.941 0.144 1
1 373 . 14 1 1 A 39 39 VAL CB C 39 34.476 35.511 -1.035 1
1 376 . 14 1 1 A 39 39 VAL N N 39 111.961 118.843 -6.882 1
1 377 . 14 1 1 A 40 40 TYR H H 40 9.366 9.526 -0.160 1
1 378 . 14 1 1 A 40 40 TYR HA H 40 5.108 5.547 -0.439 1
1 385 . 14 1 1 A 40 40 TYR C C 40 172.976 173.896 -0.920 1
1 386 . 14 1 1 A 40 40 TYR CA C 40 56.633 55.619 1.014 1
1 387 . 14 1 1 A 40 40 TYR CB C 40 41.058 41.480 -0.422 1
1 390 . 14 1 1 A 40 40 TYR N N 40 123.743 124.956 -1.213 1
1 391 . 14 1 1 A 41 41 VAL H H 41 8.734 9.004 -0.270 1
1 392 . 14 1 1 A 41 41 VAL HA H 41 4.876 5.173 -0.297 1
1 400 . 14 1 1 A 41 41 VAL C C 41 174.651 174.943 -0.292 1
1 401 . 14 1 1 A 41 41 VAL CA C 41 59.798 60.519 -0.721 1
1 402 . 14 1 1 A 41 41 VAL CB C 41 33.329 33.096 0.233 1
1 405 . 14 1 1 A 41 41 VAL N N 41 127.436 127.576 -0.140 1
1 406 . 14 1 1 A 42 42 GLY H H 42 9.669 8.044 1.625 1
1 407 . 14 1 1 A 42 42 GLY HA2 H 42 3.612 4.037 -0.425 1
1 408 . 14 1 1 A 42 42 GLY HA3 H 42 4.392 4.083 0.309 1
1 409 . 14 1 1 A 42 42 GLY C C 42 173.639 174.397 -0.758 1
1 410 . 14 1 1 A 42 42 GLY CA C 42 44.169 43.699 0.470 1
1 411 . 14 1 1 A 42 42 GLY N N 42 113.263 114.879 -1.616 1
1 412 . 14 1 1 A 43 43 ASN H H 43 8.412 9.033 -0.621 1
1 413 . 14 1 1 A 43 43 ASN HA H 43 4.510 4.683 -0.173 1
1 418 . 14 1 1 A 43 43 ASN C C 43 174.364 175.726 -1.362 1
1 419 . 14 1 1 A 43 43 ASN CA C 43 53.557 54.039 -0.482 1
1 420 . 14 1 1 A 43 43 ASN CB C 43 37.283 38.186 -0.903 1
1 421 . 14 1 1 A 43 43 ASN N N 43 115.451 119.047 -3.596 1
1 423 . 14 1 1 A 44 44 VAL H H 44 7.083 7.356 -0.273 1
1 424 . 14 1 1 A 44 44 VAL HA H 44 3.975 4.202 -0.227 1
1 432 . 14 1 1 A 44 44 VAL C C 44 175.885 175.756 0.129 1
1 433 . 14 1 1 A 44 44 VAL CA C 44 61.614 62.516 -0.902 1
1 434 . 14 1 1 A 44 44 VAL CB C 44 32.914 31.896 1.018 1
1 437 . 14 1 1 A 44 44 VAL N N 44 115.399 118.515 -3.116 1
1 438 . 14 1 1 A 45 45 ASP H H 45 8.305 7.631 0.674 1
1 439 . 14 1 1 A 45 45 ASP HA H 45 4.467 4.432 0.035 1
1 442 . 14 1 1 A 45 45 ASP C C 45 177.205 176.379 0.826 1
1 443 . 14 1 1 A 45 45 ASP CA C 45 54.613 55.488 -0.875 1
1 444 . 14 1 1 A 45 45 ASP CB C 45 43.657 40.895 2.762 1
1 445 . 14 1 1 A 45 45 ASP N N 45 124.440 122.904 1.536 1
1 446 . 14 1 1 A 46 46 TYR H H 46 8.715 8.610 0.105 1
1 447 . 14 1 1 A 46 46 TYR HA H 46 4.483 4.034 0.449 1
1 454 . 14 1 1 A 46 46 TYR C C 46 175.453 176.671 -1.218 1
1 455 . 14 1 1 A 46 46 TYR CA C 46 59.464 61.316 -1.852 1
1 456 . 14 1 1 A 46 46 TYR CB C 46 38.753 36.256 2.497 1
1 458 . 14 1 1 A 46 46 TYR N N 46 125.588 119.881 5.707 1
1 459 . 14 1 1 A 47 47 GLY H H 47 8.387 9.105 -0.718 1
1 460 . 14 1 1 A 47 47 GLY HA2 H 47 3.561 4.009 -0.448 1
1 461 . 14 1 1 A 47 47 GLY HA3 H 47 4.348 4.029 0.319 1
1 462 . 14 1 1 A 47 47 GLY C C 47 173.578 173.838 -0.260 1
1 463 . 14 1 1 A 47 47 GLY CA C 47 44.965 45.670 -0.705 1
1 464 . 14 1 1 A 47 47 GLY N N 47 106.974 107.835 -0.861 1
1 465 . 14 1 1 A 48 48 SER H H 48 7.417 7.707 -0.290 1
1 466 . 14 1 1 A 48 48 SER HA H 48 4.428 5.205 -0.777 1
1 468 . 14 1 1 A 48 48 SER C C 48 173.220 173.495 -0.275 1
1 469 . 14 1 1 A 48 48 SER CA C 48 59.892 57.622 2.270 1
1 470 . 14 1 1 A 48 48 SER CB C 48 64.519 66.139 -1.620 1
1 471 . 14 1 1 A 48 48 SER N N 48 115.423 115.980 -0.557 1
1 472 . 14 1 1 A 49 49 THR H H 49 8.474 8.355 0.119 1
1 473 . 14 1 1 A 49 49 THR HA H 49 4.660 4.981 -0.321 1
1 478 . 14 1 1 A 49 49 THR C C 49 175.940 175.674 0.266 1
1 479 . 14 1 1 A 49 49 THR CA C 49 58.831 60.027 -1.196 1
1 480 . 14 1 1 A 49 49 THR CB C 49 72.585 72.285 0.300 1
1 482 . 14 1 1 A 49 49 THR N N 49 112.103 114.899 -2.796 1
1 483 . 14 1 1 A 50 50 ALA H H 50 9.723 8.961 0.762 1
1 484 . 14 1 1 A 50 50 ALA HA H 50 3.923 4.095 -0.172 1
1 488 . 14 1 1 A 50 50 ALA C C 50 179.045 179.789 -0.744 1
1 489 . 14 1 1 A 50 50 ALA CA C 50 55.643 55.504 0.139 1
1 490 . 14 1 1 A 50 50 ALA CB C 50 18.259 18.103 0.156 1
1 491 . 14 1 1 A 50 50 ALA N N 50 123.988 124.079 -0.091 1
1 492 . 14 1 1 A 51 51 GLN H H 51 7.730 8.296 -0.566 1
1 493 . 14 1 1 A 51 51 GLN HA H 51 3.940 4.083 -0.143 1
1 500 . 14 1 1 A 51 51 GLN C C 51 178.215 178.794 -0.579 1
1 501 . 14 1 1 A 51 51 GLN CA C 51 59.096 58.943 0.153 1
1 502 . 14 1 1 A 51 51 GLN CB C 51 28.508 28.411 0.097 1
1 504 . 14 1 1 A 51 51 GLN N N 51 116.375 117.512 -1.137 1
1 505 . 14 1 1 A 52 52 ASP H H 52 8.273 7.608 0.665 1
1 506 . 14 1 1 A 52 52 ASP HA H 52 4.587 4.489 0.098 1
1 507 . 14 1 1 A 52 52 ASP C C 52 179.837 178.915 0.922 1
1 508 . 14 1 1 A 52 52 ASP CA C 52 57.556 57.215 0.341 1
1 509 . 14 1 1 A 52 52 ASP CB C 52 41.057 40.834 0.223 1
1 510 . 14 1 1 A 52 52 ASP N N 52 120.755 120.065 0.690 1
1 511 . 14 1 1 A 53 53 LEU H H 53 7.855 8.251 -0.396 1
1 512 . 14 1 1 A 53 53 LEU HA H 53 3.933 3.951 -0.018 1
1 522 . 14 1 1 A 53 53 LEU C C 53 178.463 178.968 -0.505 1
1 523 . 14 1 1 A 53 53 LEU CA C 53 58.367 58.046 0.321 1
1 524 . 14 1 1 A 53 53 LEU CB C 53 42.646 41.473 1.173 1
1 528 . 14 1 1 A 53 53 LEU N N 53 122.035 120.584 1.451 1
1 529 . 14 1 1 A 54 54 GLU H H 54 8.804 9.255 -0.451 1
1 530 . 14 1 1 A 54 54 GLU HA H 54 3.745 4.047 -0.302 1
1 534 . 14 1 1 A 54 54 GLU C C 54 178.467 178.424 0.043 1
1 535 . 14 1 1 A 54 54 GLU CA C 54 59.833 59.812 0.021 1
1 536 . 14 1 1 A 54 54 GLU CB C 54 29.238 29.464 -0.226 1
1 538 . 14 1 1 A 54 54 GLU N N 54 120.472 120.001 0.471 1
1 539 . 14 1 1 A 55 55 ALA H H 55 8.098 7.689 0.409 1
1 540 . 14 1 1 A 55 55 ALA HA H 55 4.249 4.160 0.089 1
1 544 . 14 1 1 A 55 55 ALA C C 55 180.711 179.986 0.725 1
1 545 . 14 1 1 A 55 55 ALA CA C 55 55.077 54.951 0.126 1
1 546 . 14 1 1 A 55 55 ALA CB C 55 18.164 18.322 -0.158 1
1 547 . 14 1 1 A 55 55 ALA N N 55 119.302 122.168 -2.866 1
1 548 . 14 1 1 A 56 56 HIS H H 56 7.927 7.475 0.452 1
1 549 . 14 1 1 A 56 56 HIS HA H 56 4.281 4.279 0.002 1
1 553 . 14 1 1 A 56 56 HIS C C 56 176.342 176.994 -0.652 1
1 554 . 14 1 1 A 56 56 HIS CA C 56 59.362 59.190 0.172 1
1 555 . 14 1 1 A 56 56 HIS CB C 56 31.200 29.759 1.441 1
1 556 . 14 1 1 A 56 56 HIS N N 56 117.016 117.869 -0.853 1
1 557 . 14 1 1 A 57 57 PHE H H 57 7.811 8.277 -0.466 1
1 558 . 14 1 1 A 57 57 PHE HA H 57 4.554 4.459 0.095 1
1 565 . 14 1 1 A 57 57 PHE C C 57 177.301 177.921 -0.620 1
1 566 . 14 1 1 A 57 57 PHE CA C 57 59.480 61.882 -2.402 1
1 567 . 14 1 1 A 57 57 PHE CB C 57 40.432 38.853 1.579 1
1 571 . 14 1 1 A 57 57 PHE N N 57 111.423 116.328 -4.905 1
1 572 . 14 1 1 A 58 58 SER H H 58 8.126 8.446 -0.320 1
1 573 . 14 1 1 A 58 58 SER HA H 58 4.468 4.501 -0.033 1
1 575 . 14 1 1 A 58 58 SER C C 58 176.676 177.119 -0.443 1
1 576 . 14 1 1 A 58 58 SER CA C 58 62.159 61.270 0.889 1
1 577 . 14 1 1 A 58 58 SER N N 58 118.439 116.322 2.117 1
1 578 . 14 1 1 A 59 59 SER H H 59 8.422 7.804 0.618 1
1 579 . 14 1 1 A 59 59 SER HA H 59 4.291 4.330 -0.039 1
1 581 . 14 1 1 A 59 59 SER C C 59 175.955 174.812 1.143 1
1 582 . 14 1 1 A 59 59 SER CA C 59 60.277 61.337 -1.060 1
1 583 . 14 1 1 A 59 59 SER CB C 59 62.444 63.098 -0.654 1
1 584 . 14 1 1 A 59 59 SER N N 59 116.618 116.387 0.231 1
1 585 . 14 1 1 A 60 60 CYS H H 60 8.226 8.068 0.158 1
1 586 . 14 1 1 A 60 60 CYS HA H 60 4.067 4.531 -0.464 1
1 589 . 14 1 1 A 60 60 CYS C C 60 174.682 174.380 0.302 1
1 590 . 14 1 1 A 60 60 CYS CA C 60 60.683 59.551 1.132 1
1 591 . 14 1 1 A 60 60 CYS CB C 60 28.894 28.478 0.416 1
1 592 . 14 1 1 A 60 60 CYS N N 60 118.900 117.392 1.508 1
1 593 . 14 1 1 A 61 61 GLY H H 61 7.414 7.320 0.094 1
1 594 . 14 1 1 A 61 61 GLY HA2 H 61 3.887 4.150 -0.263 1
1 595 . 14 1 1 A 61 61 GLY HA3 H 61 4.489 4.176 0.313 1
1 596 . 14 1 1 A 61 61 GLY C C 61 171.619 172.472 -0.853 1
1 597 . 14 1 1 A 61 61 GLY CA C 61 44.000 44.629 -0.629 1
1 598 . 14 1 1 A 61 61 GLY N N 61 106.320 109.074 -2.754 1
1 599 . 14 1 1 A 62 62 SER H H 62 8.182 8.481 -0.299 1
1 600 . 14 1 1 A 62 62 SER HA H 62 4.420 5.187 -0.767 1
1 603 . 14 1 1 A 62 62 SER C C 62 175.295 174.152 1.143 1
1 604 . 14 1 1 A 62 62 SER CA C 62 59.839 58.538 1.301 1
1 605 . 14 1 1 A 62 62 SER CB C 62 63.617 64.351 -0.734 1
1 606 . 14 1 1 A 62 62 SER N N 62 112.485 117.421 -4.936 1
1 607 . 14 1 1 A 63 63 ILE H H 63 8.857 9.008 -0.151 1
1 608 . 14 1 1 A 63 63 ILE HA H 63 4.007 3.936 0.071 1
1 618 . 14 1 1 A 63 63 ILE C C 63 175.045 175.965 -0.920 1
1 619 . 14 1 1 A 63 63 ILE CA C 63 61.979 61.818 0.161 1
1 620 . 14 1 1 A 63 63 ILE CB C 63 41.048 38.041 3.007 1
1 624 . 14 1 1 A 63 63 ILE N N 63 127.966 126.805 1.161 1
1 625 . 14 1 1 A 64 64 ASN H H 64 8.897 9.525 -0.628 1
1 626 . 14 1 1 A 64 64 ASN HA H 64 4.667 4.782 -0.115 1
1 631 . 14 1 1 A 64 64 ASN C C 64 174.686 174.470 0.216 1
1 632 . 14 1 1 A 64 64 ASN CA C 64 53.627 54.731 -1.104 1
1 633 . 14 1 1 A 64 64 ASN CB C 64 40.062 40.027 0.035 1
1 634 . 14 1 1 A 64 64 ASN N N 64 124.997 125.687 -0.690 1
1 636 . 14 1 1 A 65 65 ARG H H 65 7.419 7.763 -0.344 1
1 637 . 14 1 1 A 65 65 ARG HA H 65 5.155 4.864 0.291 1
1 645 . 14 1 1 A 65 65 ARG C C 65 173.788 173.892 -0.104 1
1 646 . 14 1 1 A 65 65 ARG CA C 65 55.703 54.824 0.879 1
1 647 . 14 1 1 A 65 65 ARG CB C 65 35.408 34.987 0.421 1
1 650 . 14 1 1 A 65 65 ARG N N 65 116.737 115.836 0.901 1
1 652 . 14 1 1 A 66 66 ILE H H 66 8.681 8.778 -0.097 1
1 653 . 14 1 1 A 66 66 ILE HA H 66 4.574 4.738 -0.164 1
1 663 . 14 1 1 A 66 66 ILE C C 66 173.717 173.645 0.072 1
1 664 . 14 1 1 A 66 66 ILE CA C 66 61.049 60.312 0.737 1
1 665 . 14 1 1 A 66 66 ILE CB C 66 42.988 41.431 1.557 1
1 669 . 14 1 1 A 66 66 ILE N N 66 123.359 122.529 0.830 1
1 670 . 14 1 1 A 67 67 THR H H 67 8.861 8.809 0.052 1
1 671 . 14 1 1 A 67 67 THR HA H 67 5.378 5.221 0.157 1
1 676 . 14 1 1 A 67 67 THR C C 67 173.526 173.479 0.047 1
1 677 . 14 1 1 A 67 67 THR CA C 67 61.112 61.682 -0.570 1
1 678 . 14 1 1 A 67 67 THR CB C 67 70.857 70.901 -0.044 1
1 680 . 14 1 1 A 67 67 THR N N 67 124.375 124.275 0.100 1
1 681 . 14 1 1 A 68 68 ILE H H 68 9.768 8.971 0.797 1
1 682 . 14 1 1 A 68 68 ILE HA H 68 4.333 4.819 -0.486 1
1 692 . 14 1 1 A 68 68 ILE C C 68 173.743 175.061 -1.318 1
1 693 . 14 1 1 A 68 68 ILE CA C 68 61.237 60.301 0.936 1
1 694 . 14 1 1 A 68 68 ILE CB C 68 40.908 40.554 0.354 1
1 698 . 14 1 1 A 68 68 ILE N N 68 127.340 126.645 0.695 1
1 699 . 14 1 1 A 69 69 LEU H H 69 9.045 9.240 -0.195 1
1 700 . 14 1 1 A 69 69 LEU HA H 69 5.074 5.212 -0.138 1
1 710 . 14 1 1 A 69 69 LEU C C 69 175.502 175.398 0.104 1
1 711 . 14 1 1 A 69 69 LEU CA C 69 55.186 53.002 2.184 1
1 712 . 14 1 1 A 69 69 LEU CB C 69 42.702 45.011 -2.309 1
1 716 . 14 1 1 A 69 69 LEU N N 69 128.686 125.274 3.412 1
1 717 . 14 1 1 A 70 70 CYS H H 70 8.767 8.877 -0.110 1
1 718 . 14 1 1 A 70 70 CYS HA H 70 5.237 5.613 -0.376 1
1 720 . 14 1 1 A 70 70 CYS C C 70 173.558 173.308 0.250 1
1 721 . 14 1 1 A 70 70 CYS CA C 70 57.609 56.814 0.795 1
1 722 . 14 1 1 A 70 70 CYS CB C 70 29.830 28.981 0.849 1
1 723 . 14 1 1 A 70 70 CYS N N 70 120.856 120.627 0.229 1
1 724 . 14 1 1 A 71 71 ASP H H 71 9.109 8.858 0.251 1
1 725 . 14 1 1 A 71 71 ASP HA H 71 5.193 5.545 -0.352 1
1 728 . 14 1 1 A 71 71 ASP C C 71 175.440 176.107 -0.667 1
1 729 . 14 1 1 A 71 71 ASP CA C 71 53.705 52.616 1.089 1
1 730 . 14 1 1 A 71 71 ASP CB C 71 44.774 42.045 2.729 1
1 731 . 14 1 1 A 71 71 ASP N N 71 124.936 124.393 0.543 1
1 732 . 14 1 1 A 72 72 LYS H H 72 8.262 8.681 -0.419 1
1 733 . 14 1 1 A 72 72 LYS HA H 72 4.553 4.477 0.076 1
1 740 . 14 1 1 A 72 72 LYS C C 72 177.732 176.920 0.812 1
1 741 . 14 1 1 A 72 72 LYS CA C 72 55.608 55.979 -0.371 1
1 742 . 14 1 1 A 72 72 LYS CB C 72 32.469 33.035 -0.566 1
1 745 . 14 1 1 A 72 72 LYS N N 72 120.339 121.058 -0.719 1
1 746 . 14 1 1 A 73 73 PHE H H 73 8.663 8.153 0.510 1
1 747 . 14 1 1 A 73 73 PHE HA H 73 4.357 4.313 0.044 1
1 752 . 14 1 1 A 73 73 PHE C C 73 177.148 176.635 0.513 1
1 753 . 14 1 1 A 73 73 PHE CA C 73 60.214 60.289 -0.075 1
1 754 . 14 1 1 A 73 73 PHE CB C 73 39.157 37.806 1.351 1
1 756 . 14 1 1 A 73 73 PHE N N 73 121.961 120.020 1.941 1
1 757 . 14 1 1 A 74 74 SER H H 74 8.780 7.479 1.301 1
1 758 . 14 1 1 A 74 74 SER HA H 74 4.353 4.638 -0.285 1
1 760 . 14 1 1 A 74 74 SER C C 74 174.810 174.579 0.231 1
1 761 . 14 1 1 A 74 74 SER CA C 74 58.965 58.111 0.854 1
1 762 . 14 1 1 A 74 74 SER CB C 74 63.650 63.435 0.215 1
1 763 . 14 1 1 A 74 74 SER N N 74 114.021 114.397 -0.376 1
1 764 . 14 1 1 A 75 75 GLY H H 75 8.004 8.330 -0.326 1
1 765 . 14 1 1 A 75 75 GLY HA2 H 75 3.635 3.806 -0.171 1
1 766 . 14 1 1 A 75 75 GLY HA3 H 75 4.221 3.900 0.321 1
1 767 . 14 1 1 A 75 75 GLY C C 75 173.254 174.154 -0.900 1
1 768 . 14 1 1 A 75 75 GLY CA C 75 45.162 45.186 -0.024 1
1 769 . 14 1 1 A 75 75 GLY N N 75 108.714 109.188 -0.474 1
1 770 . 14 1 1 A 76 76 HIS H H 76 7.670 7.799 -0.129 1
1 771 . 14 1 1 A 76 76 HIS HA H 76 5.020 4.670 0.350 1
1 775 . 14 1 1 A 76 76 HIS CA C 76 52.522 54.100 -1.578 1
1 776 . 14 1 1 A 76 76 HIS CB C 76 29.410 30.447 -1.037 1
1 777 . 14 1 1 A 76 76 HIS N N 76 118.164 119.087 -0.923 1
1 778 . 14 1 1 A 77 77 PRO HA H 77 4.551 5.152 -0.601 1
1 784 . 14 1 1 A 77 77 PRO C C 77 176.458 176.397 0.061 1
1 785 . 14 1 1 A 77 77 PRO CA C 77 63.263 62.995 0.268 1
1 786 . 14 1 1 A 77 77 PRO CB C 77 32.077 32.033 0.044 1
1 789 . 14 1 1 A 78 78 LYS H H 78 8.846 8.635 0.211 1
1 790 . 14 1 1 A 78 78 LYS HA H 78 4.772 5.191 -0.419 1
1 796 . 14 1 1 A 78 78 LYS CA C 78 55.964 54.741 1.223 1
1 797 . 14 1 1 A 78 78 LYS CB C 78 35.816 34.441 1.375 1
1 799 . 14 1 1 A 78 78 LYS N N 78 124.197 121.839 2.358 1
1 800 . 14 1 1 A 79 79 GLY H H 79 8.352 8.137 0.215 1
1 801 . 14 1 1 A 79 79 GLY HA2 H 79 3.871 4.003 -0.132 1
1 802 . 14 1 1 A 79 79 GLY HA3 H 79 5.451 4.073 1.378 1
1 803 . 14 1 1 A 79 79 GLY C C 79 173.400 171.005 2.395 1
1 804 . 14 1 1 A 79 79 GLY CA C 79 45.189 45.520 -0.331 1
1 805 . 14 1 1 A 79 79 GLY N N 79 109.568 108.330 1.238 1
1 806 . 14 1 1 A 80 80 TYR H H 80 8.856 8.469 0.387 1
1 807 . 14 1 1 A 80 80 TYR HA H 80 4.940 5.170 -0.230 1
1 814 . 14 1 1 A 80 80 TYR C C 80 171.720 174.601 -2.881 1
1 815 . 14 1 1 A 80 80 TYR CA C 80 56.267 56.480 -0.213 1
1 816 . 14 1 1 A 80 80 TYR CB C 80 40.003 42.932 -2.929 1
1 818 . 14 1 1 A 80 80 TYR N N 80 120.052 119.843 0.209 1
1 819 . 14 1 1 A 81 81 ALA H H 81 9.215 9.309 -0.094 1
1 820 . 14 1 1 A 81 81 ALA HA H 81 5.386 5.421 -0.035 1
1 824 . 14 1 1 A 81 81 ALA C C 81 175.357 174.940 0.417 1
1 825 . 14 1 1 A 81 81 ALA CA C 81 50.089 50.419 -0.330 1
1 826 . 14 1 1 A 81 81 ALA CB C 81 24.030 22.156 1.874 1
1 827 . 14 1 1 A 81 81 ALA N N 81 120.138 122.810 -2.672 1
1 828 . 14 1 1 A 82 82 TYR H H 82 8.974 9.031 -0.057 1
1 829 . 14 1 1 A 82 82 TYR HA H 82 5.885 5.648 0.237 1
1 836 . 14 1 1 A 82 82 TYR C C 82 176.232 174.423 1.809 1
1 837 . 14 1 1 A 82 82 TYR CA C 82 55.626 56.670 -1.044 1
1 838 . 14 1 1 A 82 82 TYR CB C 82 41.536 40.498 1.038 1
1 839 . 14 1 1 A 82 82 TYR N N 82 114.621 120.894 -6.273 1
1 840 . 14 1 1 A 83 83 ILE H H 83 8.644 8.657 -0.013 1
1 841 . 14 1 1 A 83 83 ILE HA H 83 4.275 4.589 -0.314 1
1 851 . 14 1 1 A 83 83 ILE C C 83 173.516 174.632 -1.116 1
1 852 . 14 1 1 A 83 83 ILE CA C 83 60.345 59.752 0.593 1
1 853 . 14 1 1 A 83 83 ILE CB C 83 39.535 39.668 -0.133 1
1 857 . 14 1 1 A 83 83 ILE N N 83 122.447 124.113 -1.666 1
1 858 . 14 1 1 A 84 84 GLU H H 84 8.612 8.973 -0.361 1
1 859 . 14 1 1 A 84 84 GLU HA H 84 4.801 5.079 -0.278 1
1 862 . 14 1 1 A 84 84 GLU C C 84 176.111 175.541 0.570 1
1 863 . 14 1 1 A 84 84 GLU CA C 84 54.496 55.013 -0.517 1
1 864 . 14 1 1 A 84 84 GLU CB C 84 31.499 31.415 0.084 1
1 865 . 14 1 1 A 84 84 GLU N N 84 127.346 127.195 0.151 1
1 866 . 14 1 1 A 85 85 PHE H H 85 9.087 9.371 -0.284 1
1 867 . 14 1 1 A 85 85 PHE HA H 85 4.817 4.832 -0.015 1
1 875 . 14 1 1 A 85 85 PHE C C 85 174.422 176.945 -2.523 1
1 876 . 14 1 1 A 85 85 PHE CA C 85 59.072 57.830 1.242 1
1 877 . 14 1 1 A 85 85 PHE CB C 85 40.765 41.212 -0.447 1
1 878 . 14 1 1 A 85 85 PHE N N 85 128.049 123.728 4.321 1
1 879 . 14 1 1 A 86 86 ALA H H 86 8.192 9.436 -1.244 1
1 880 . 14 1 1 A 86 86 ALA HA H 86 4.239 4.240 -0.001 1
1 884 . 14 1 1 A 86 86 ALA C C 86 178.143 177.163 0.980 1
1 885 . 14 1 1 A 86 86 ALA CA C 86 54.524 54.453 0.071 1
1 886 . 14 1 1 A 86 86 ALA CB C 86 19.510 19.243 0.267 1
1 887 . 14 1 1 A 86 86 ALA N N 86 120.669 123.347 -2.678 1
1 888 . 14 1 1 A 87 87 GLU H H 87 8.455 7.947 0.508 1
1 889 . 14 1 1 A 87 87 GLU HA H 87 4.765 4.749 0.016 1
1 893 . 14 1 1 A 87 87 GLU C C 87 176.472 176.581 -0.109 1
1 894 . 14 1 1 A 87 87 GLU CA C 87 54.353 54.802 -0.449 1
1 895 . 14 1 1 A 87 87 GLU CB C 87 32.624 32.637 -0.013 1
1 897 . 14 1 1 A 87 87 GLU N N 87 114.204 117.572 -3.368 1
1 898 . 14 1 1 A 88 88 ARG H H 88 8.917 9.029 -0.112 1
1 899 . 14 1 1 A 88 88 ARG HA H 88 3.961 4.025 -0.064 1
1 905 . 14 1 1 A 88 88 ARG C C 88 178.900 177.284 1.616 1
1 906 . 14 1 1 A 88 88 ARG CA C 88 59.548 58.609 0.939 1
1 907 . 14 1 1 A 88 88 ARG CB C 88 30.073 29.842 0.231 1
1 910 . 14 1 1 A 88 88 ARG N N 88 121.592 125.895 -4.303 1
1 911 . 14 1 1 A 89 89 ASN H H 89 8.845 8.313 0.532 1
1 912 . 14 1 1 A 89 89 ASN HA H 89 4.497 4.492 0.005 1
1 916 . 14 1 1 A 89 89 ASN C C 89 177.179 177.551 -0.372 1
1 917 . 14 1 1 A 89 89 ASN CA C 89 55.861 56.257 -0.396 1
1 918 . 14 1 1 A 89 89 ASN CB C 89 37.330 39.391 -2.061 1
1 919 . 14 1 1 A 89 89 ASN N N 89 116.555 118.582 -2.027 1
1 921 . 14 1 1 A 90 90 SER H H 90 7.513 7.808 -0.295 1
1 922 . 14 1 1 A 90 90 SER HA H 90 4.006 4.087 -0.081 1
1 925 . 14 1 1 A 90 90 SER C C 90 174.511 175.899 -1.388 1
1 926 . 14 1 1 A 90 90 SER CA C 90 61.395 62.282 -0.887 1
1 927 . 14 1 1 A 90 90 SER CB C 90 63.424 62.857 0.567 1
1 928 . 14 1 1 A 90 90 SER N N 90 116.007 116.433 -0.426 1
1 929 . 14 1 1 A 91 91 VAL H H 91 7.653 7.666 -0.013 1
1 930 . 14 1 1 A 91 91 VAL HA H 91 3.201 3.243 -0.042 1
1 938 . 14 1 1 A 91 91 VAL C C 91 176.991 177.572 -0.581 1
1 939 . 14 1 1 A 91 91 VAL CA C 91 66.851 65.223 1.628 1
1 940 . 14 1 1 A 91 91 VAL CB C 91 31.599 31.531 0.068 1
1 943 . 14 1 1 A 91 91 VAL N N 91 119.934 119.173 0.761 1
1 944 . 14 1 1 A 92 92 ASP H H 92 7.192 7.758 -0.566 1
1 945 . 14 1 1 A 92 92 ASP HA H 92 4.321 4.341 -0.020 1
1 947 . 14 1 1 A 92 92 ASP C C 92 178.585 178.081 0.504 1
1 948 . 14 1 1 A 92 92 ASP CA C 92 57.401 57.036 0.365 1
1 949 . 14 1 1 A 92 92 ASP CB C 92 40.078 41.303 -1.225 1
1 950 . 14 1 1 A 92 92 ASP N N 92 117.084 121.552 -4.468 1
1 951 . 14 1 1 A 93 93 ALA H H 93 6.946 7.908 -0.962 1
1 952 . 14 1 1 A 93 93 ALA HA H 93 4.186 4.203 -0.017 1
1 956 . 14 1 1 A 93 93 ALA C C 93 179.272 179.922 -0.650 1
1 957 . 14 1 1 A 93 93 ALA CA C 93 54.445 54.582 -0.137 1
1 958 . 14 1 1 A 93 93 ALA CB C 93 18.164 18.259 -0.095 1
1 959 . 14 1 1 A 93 93 ALA N N 93 121.045 120.986 0.059 1
1 960 . 14 1 1 A 94 94 ALA H H 94 8.033 7.555 0.478 1
1 961 . 14 1 1 A 94 94 ALA HA H 94 4.545 4.094 0.451 1
1 965 . 14 1 1 A 94 94 ALA C C 94 180.529 179.768 0.761 1
1 966 . 14 1 1 A 94 94 ALA CA C 94 55.518 55.120 0.398 1
1 967 . 14 1 1 A 94 94 ALA CB C 94 19.455 18.584 0.871 1
1 968 . 14 1 1 A 94 94 ALA N N 94 122.191 120.355 1.836 1
1 969 . 14 1 1 A 95 95 VAL H H 95 8.565 8.063 0.502 1
1 970 . 14 1 1 A 95 95 VAL HA H 95 3.741 3.886 -0.145 1
1 978 . 14 1 1 A 95 95 VAL C C 95 178.767 177.806 0.961 1
1 979 . 14 1 1 A 95 95 VAL CA C 95 65.820 64.808 1.012 1
1 980 . 14 1 1 A 95 95 VAL CB C 95 31.501 31.394 0.107 1
1 983 . 14 1 1 A 95 95 VAL N N 95 117.405 116.657 0.748 1
1 984 . 14 1 1 A 96 96 ALA H H 96 7.354 8.052 -0.698 1
1 985 . 14 1 1 A 96 96 ALA HA H 96 4.403 4.222 0.181 1
1 989 . 14 1 1 A 96 96 ALA C C 96 178.242 178.256 -0.014 1
1 990 . 14 1 1 A 96 96 ALA CA C 96 53.916 54.080 -0.164 1
1 991 . 14 1 1 A 96 96 ALA CB C 96 17.841 18.335 -0.494 1
1 992 . 14 1 1 A 96 96 ALA N N 96 122.769 123.779 -1.010 1
1 993 . 14 1 1 A 97 97 MET H H 97 7.980 8.139 -0.159 1
1 994 . 14 1 1 A 97 97 MET HA H 97 4.471 5.439 -0.968 1
1 1002 . 14 1 1 A 97 97 MET C C 97 175.959 176.587 -0.628 1
1 1003 . 14 1 1 A 97 97 MET CA C 97 55.150 54.696 0.454 1
1 1004 . 14 1 1 A 97 97 MET CB C 97 31.663 32.708 -1.045 1
1 1007 . 14 1 1 A 97 97 MET N N 97 115.573 116.579 -1.006 1
1 1008 . 14 1 1 A 98 98 ASP H H 98 7.852 8.538 -0.686 1
1 1009 . 14 1 1 A 98 98 ASP HA H 98 4.422 4.391 0.031 1
1 1012 . 14 1 1 A 98 98 ASP C C 98 175.976 177.626 -1.650 1
1 1013 . 14 1 1 A 98 98 ASP CA C 98 57.476 56.972 0.504 1
1 1014 . 14 1 1 A 98 98 ASP CB C 98 42.008 40.516 1.492 1
1 1015 . 14 1 1 A 98 98 ASP N N 98 121.576 120.814 0.762 1
1 1016 . 14 1 1 A 99 99 GLU H H 99 8.643 7.722 0.921 1
1 1017 . 14 1 1 A 99 99 GLU HA H 99 4.154 4.484 -0.330 1
1 1022 . 14 1 1 A 99 99 GLU C C 99 176.369 176.708 -0.339 1
1 1023 . 14 1 1 A 99 99 GLU CA C 99 58.403 55.832 2.571 1
1 1024 . 14 1 1 A 99 99 GLU CB C 99 26.214 29.882 -3.668 1
1 1026 . 14 1 1 A 99 99 GLU N N 99 119.455 118.636 0.819 1
1 1027 . 14 1 1 A 100 100 THR H H 100 7.416 7.526 -0.110 1
1 1028 . 14 1 1 A 100 100 THR HA H 100 4.498 4.447 0.051 1
1 1033 . 14 1 1 A 100 100 THR C C 100 172.876 174.102 -1.226 1
1 1034 . 14 1 1 A 100 100 THR CA C 100 61.065 62.529 -1.464 1
1 1035 . 14 1 1 A 100 100 THR CB C 100 72.140 70.348 1.792 1
1 1037 . 14 1 1 A 100 100 THR N N 100 107.670 114.713 -7.043 1
1 1038 . 14 1 1 A 101 101 VAL H H 101 8.252 8.593 -0.341 1
1 1039 . 14 1 1 A 101 101 VAL HA H 101 4.638 4.764 -0.126 1
1 1047 . 14 1 1 A 101 101 VAL C C 101 176.138 174.197 1.941 1
1 1048 . 14 1 1 A 101 101 VAL CA C 101 62.299 59.839 2.460 1
1 1049 . 14 1 1 A 101 101 VAL CB C 101 32.215 34.055 -1.840 1
1 1052 . 14 1 1 A 101 101 VAL N N 101 118.227 126.041 -7.814 1
1 1053 . 14 1 1 A 102 102 PHE H H 102 9.300 9.542 -0.242 1
1 1054 . 14 1 1 A 102 102 PHE HA H 102 4.671 4.882 -0.211 1
1 1061 . 14 1 1 A 102 102 PHE C C 102 174.216 174.693 -0.477 1
1 1062 . 14 1 1 A 102 102 PHE CA C 102 56.205 57.209 -1.004 1
1 1063 . 14 1 1 A 102 102 PHE CB C 102 41.707 41.996 -0.289 1
1 1064 . 14 1 1 A 102 102 PHE N N 102 128.863 129.624 -0.761 1
1 1065 . 14 1 1 A 103 103 ARG H H 103 9.167 9.379 -0.212 1
1 1066 . 14 1 1 A 103 103 ARG HA H 103 3.389 3.778 -0.389 1
1 1075 . 14 1 1 A 103 103 ARG C C 103 176.014 176.167 -0.153 1
1 1076 . 14 1 1 A 103 103 ARG CA C 103 57.215 56.928 0.287 1
1 1077 . 14 1 1 A 103 103 ARG CB C 103 27.382 27.557 -0.175 1
1 1080 . 14 1 1 A 103 103 ARG N N 103 128.268 127.982 0.286 1
1 1082 . 14 1 1 A 104 104 GLY H H 104 8.005 8.443 -0.438 1
1 1083 . 14 1 1 A 104 104 GLY HA2 H 104 4.006 3.813 0.193 1
1 1084 . 14 1 1 A 104 104 GLY HA3 H 104 3.455 3.821 -0.366 1
1 1085 . 14 1 1 A 104 104 GLY C C 104 173.766 173.573 0.193 1
1 1086 . 14 1 1 A 104 104 GLY CA C 104 45.598 45.394 0.204 1
1 1087 . 14 1 1 A 104 104 GLY N N 104 101.324 104.778 -3.454 1
1 1088 . 14 1 1 A 105 105 ARG H H 105 7.681 7.609 0.072 1
1 1089 . 14 1 1 A 105 105 ARG HA H 105 4.735 4.981 -0.246 1
1 1097 . 14 1 1 A 105 105 ARG C C 105 174.543 174.828 -0.285 1
1 1098 . 14 1 1 A 105 105 ARG CA C 105 54.071 54.243 -0.172 1
1 1099 . 14 1 1 A 105 105 ARG CB C 105 33.159 33.254 -0.095 1
1 1102 . 14 1 1 A 105 105 ARG N N 105 119.837 116.333 3.504 1
1 1104 . 14 1 1 A 106 106 THR H H 106 8.604 8.706 -0.102 1
1 1105 . 14 1 1 A 106 106 THR HA H 106 4.593 4.577 0.016 1
1 1110 . 14 1 1 A 106 106 THR C C 106 175.643 174.461 1.182 1
1 1111 . 14 1 1 A 106 106 THR CA C 106 62.821 63.179 -0.358 1
1 1112 . 14 1 1 A 106 106 THR CB C 106 68.784 69.142 -0.358 1
1 1114 . 14 1 1 A 106 106 THR N N 106 118.251 117.767 0.484 1
1 1115 . 14 1 1 A 107 107 ILE H H 107 8.756 8.489 0.267 1
1 1116 . 14 1 1 A 107 107 ILE HA H 107 4.884 4.968 -0.084 1
1 1126 . 14 1 1 A 107 107 ILE C C 107 174.877 174.813 0.064 1
1 1127 . 14 1 1 A 107 107 ILE CA C 107 60.834 59.086 1.748 1
1 1128 . 14 1 1 A 107 107 ILE CB C 107 40.644 40.310 0.334 1
1 1132 . 14 1 1 A 107 107 ILE N N 107 123.422 123.753 -0.331 1
1 1133 . 14 1 1 A 108 108 LYS H H 108 7.412 8.148 -0.736 1
1 1134 . 14 1 1 A 108 108 LYS HA H 108 5.524 5.278 0.246 1
1 1141 . 14 1 1 A 108 108 LYS C C 108 175.839 175.313 0.526 1
1 1142 . 14 1 1 A 108 108 LYS CA C 108 52.172 54.899 -2.727 1
1 1143 . 14 1 1 A 108 108 LYS CB C 108 33.947 35.130 -1.183 1
1 1147 . 14 1 1 A 108 108 LYS N N 108 121.402 121.559 -0.157 1
1 1148 . 14 1 1 A 109 109 VAL H H 109 9.467 8.931 0.536 1
1 1149 . 14 1 1 A 109 109 VAL HA H 109 5.410 5.209 0.201 1
1 1157 . 14 1 1 A 109 109 VAL C C 109 174.514 174.672 -0.158 1
1 1158 . 14 1 1 A 109 109 VAL CA C 109 61.258 61.520 -0.262 1
1 1159 . 14 1 1 A 109 109 VAL CB C 109 34.289 33.447 0.842 1
1 1162 . 14 1 1 A 109 109 VAL N N 109 125.530 124.370 1.160 1
1 1163 . 14 1 1 A 110 110 LEU H H 110 9.081 9.226 -0.145 1
1 1164 . 14 1 1 A 110 110 LEU HA H 110 5.109 4.934 0.175 1
1 1173 . 14 1 1 A 110 110 LEU CA C 110 51.660 50.927 0.733 1
1 1174 . 14 1 1 A 110 110 LEU CB C 110 46.037 45.962 0.075 1
1 1178 . 14 1 1 A 110 110 LEU N N 110 125.323 128.659 -3.336 1
1 1179 . 14 1 1 A 111 111 PRO HA H 111 4.539 4.548 -0.009 1
1 1186 . 14 1 1 A 111 111 PRO C C 111 176.222 176.395 -0.173 1
1 1187 . 14 1 1 A 111 111 PRO CA C 111 63.390 63.306 0.084 1
1 1188 . 14 1 1 A 111 111 PRO CB C 111 31.697 32.192 -0.495 1
1 1191 . 14 1 1 A 112 112 LYS H H 112 8.121 8.877 -0.756 1
1 1192 . 14 1 1 A 112 112 LYS HA H 112 4.113 4.370 -0.257 1
1 1199 . 14 1 1 A 112 112 LYS C C 112 175.830 176.312 -0.482 1
1 1200 . 14 1 1 A 112 112 LYS CA C 112 58.405 55.041 3.364 1
1 1201 . 14 1 1 A 112 112 LYS CB C 112 33.746 30.962 2.784 1
1 1204 . 14 1 1 A 112 112 LYS N N 112 124.317 123.470 0.847 1
1 1205 . 14 1 1 A 113 113 ARG H H 113 8.228 9.457 -1.229 1
1 1206 . 14 1 1 A 113 113 ARG HA H 113 4.451 3.868 0.583 1
1 1211 . 14 1 1 A 113 113 ARG C C 113 175.758 176.058 -0.300 1
1 1212 . 14 1 1 A 113 113 ARG CA C 113 55.468 58.176 -2.708 1
1 1213 . 14 1 1 A 113 113 ARG CB C 113 31.550 29.176 2.374 1
1 1215 . 14 1 1 A 113 113 ARG N N 113 121.228 123.879 -2.651 1
1 1216 . 14 1 1 A 114 114 THR H H 114 8.138 8.109 0.029 1
1 1217 . 14 1 1 A 114 114 THR HA H 114 4.264 3.842 0.422 1
1 1222 . 14 1 1 A 114 114 THR C C 114 174.043 173.689 0.354 1
1 1223 . 14 1 1 A 114 114 THR CA C 114 62.229 65.966 -3.737 1
1 1224 . 14 1 1 A 114 114 THR CB C 114 69.682 66.626 3.056 1
1 1226 . 14 1 1 A 114 114 THR N N 114 116.384 112.559 3.825 1
1 1227 . 14 1 1 A 115 115 ASN H H 115 8.406 8.593 -0.187 1
1 1228 . 14 1 1 A 115 115 ASN HA H 115 4.682 4.796 -0.114 1
1 1233 . 14 1 1 A 115 115 ASN C C 115 174.513 174.296 0.217 1
1 1234 . 14 1 1 A 115 115 ASN CA C 115 53.242 52.790 0.452 1
1 1235 . 14 1 1 A 115 115 ASN CB C 115 38.888 38.626 0.262 1
1 1236 . 14 1 1 A 115 115 ASN N N 115 120.871 121.107 -0.236 1
1 1238 . 14 1 1 A 116 116 MET H H 116 8.138 8.541 -0.403 1
1 1239 . 14 1 1 A 116 116 MET CA C 116 53.400 53.171 0.229 1
1 1240 . 14 1 1 A 116 116 MET CB C 116 32.829 33.861 -1.032 1
1 1241 . 14 1 1 A 116 116 MET N N 116 121.611 125.784 -4.173 1
1 1242 . 14 1 1 A 117 117 PRO HA H 117 4.428 4.388 0.040 1
1 1245 . 14 1 1 A 117 117 PRO C C 117 175.935 176.275 -0.340 1
1 1246 . 14 1 1 A 117 117 PRO CA C 117 63.489 64.017 -0.528 1
1 1247 . 14 1 1 A 117 117 PRO CB C 117 32.105 31.975 0.130 1
1 1248 . 14 1 1 A 118 118 GLY H H 118 8.411 7.799 0.612 1
1 1249 . 14 1 1 A 118 118 GLY HA2 H 118 3.927 4.098 -0.171 1
1 1250 . 14 1 1 A 118 118 GLY HA3 H 118 4.389 4.099 0.290 1
1 1251 . 14 1 1 A 118 118 GLY C C 118 174.117 172.960 1.157 1
1 1252 . 14 1 1 A 118 118 GLY CA C 118 45.470 44.627 0.843 1
1 1253 . 14 1 1 A 118 118 GLY N N 118 109.241 103.119 6.122 1
1 1254 . 14 1 1 A 119 119 ILE H H 119 7.825 8.543 -0.718 1
1 1255 . 14 1 1 A 119 119 ILE HA H 119 4.234 4.626 -0.392 1
1 1265 . 14 1 1 A 119 119 ILE C C 119 176.261 174.579 1.682 1
1 1266 . 14 1 1 A 119 119 ILE CA C 119 61.029 60.169 0.860 1
1 1267 . 14 1 1 A 119 119 ILE CB C 119 38.878 38.805 0.073 1
1 1270 . 14 1 1 A 119 119 ILE N N 119 119.504 116.693 2.811 1
1 1271 . 14 1 1 A 120 120 SER H H 120 8.397 8.953 -0.556 1
1 1272 . 14 1 1 A 120 120 SER HA H 120 4.534 5.001 -0.467 1
1 1274 . 14 1 1 A 120 120 SER C C 120 174.692 173.327 1.365 1
1 1275 . 14 1 1 A 120 120 SER CA C 120 58.150 57.244 0.906 1
1 1276 . 14 1 1 A 120 120 SER CB C 120 63.997 64.251 -0.254 1
1 1277 . 14 1 1 A 120 120 SER N N 120 119.359 124.838 -5.479 1
1 1278 . 14 1 1 A 121 121 SER H H 121 8.371 8.805 -0.434 1
1 1279 . 14 1 1 A 121 121 SER HA H 121 4.360 5.122 -0.762 1
1 1280 . 14 1 1 A 121 121 SER C C 121 174.809 173.021 1.788 1
1 1281 . 14 1 1 A 121 121 SER CA C 121 58.656 56.799 1.857 1
1 1282 . 14 1 1 A 121 121 SER CB C 121 63.795 64.187 -0.392 1
1 1283 . 14 1 1 A 121 121 SER N N 121 118.036 120.777 -2.741 1
1 1284 . 14 1 1 A 122 122 THR H H 122 8.100 8.686 -0.586 1
1 1285 . 14 1 1 A 122 122 THR C C 122 174.254 174.872 -0.618 1
1 1286 . 14 1 1 A 122 122 THR CA C 122 61.829 63.048 -1.219 1
1 1287 . 14 1 1 A 122 122 THR CB C 122 69.537 68.662 0.875 1
1 1288 . 14 1 1 A 122 122 THR N N 122 114.163 121.495 -7.332 1
1 1289 . 14 1 1 A 123 123 ASP H H 123 8.197 9.062 -0.865 1
1 1290 . 14 1 1 A 123 123 ASP HA H 123 4.641 4.241 0.400 1
1 1292 . 14 1 1 A 123 123 ASP C C 123 174.975 176.038 -1.063 1
1 1293 . 14 1 1 A 123 123 ASP CA C 123 54.542 54.861 -0.319 1
1 1294 . 14 1 1 A 123 123 ASP CB C 123 41.144 39.245 1.899 1
1 1295 . 14 1 1 A 123 123 ASP N N 123 122.772 125.281 -2.509 1
1 8 . 15 1 1 A 2 2 ILE H H 2 8.420 7.586 0.834 1
1 9 . 15 1 1 A 2 2 ILE HA H 2 4.219 4.427 -0.208 1
1 11 . 15 1 1 A 2 2 ILE C C 2 175.424 175.116 0.308 1
1 12 . 15 1 1 A 2 2 ILE CA C 2 61.022 60.139 0.883 1
1 13 . 15 1 1 A 2 2 ILE CB C 2 38.918 38.681 0.237 1
1 14 . 15 1 1 A 2 2 ILE N N 2 120.314 114.752 5.562 1
1 15 . 15 1 1 A 3 3 ALA H H 3 8.374 8.487 -0.113 1
1 16 . 15 1 1 A 3 3 ALA CA C 3 50.509 49.447 1.062 1
1 17 . 15 1 1 A 3 3 ALA CB C 3 18.608 22.171 -3.563 1
1 18 . 15 1 1 A 3 3 ALA N N 3 129.874 128.087 1.787 1
1 19 . 15 1 1 A 4 4 PRO HA H 4 4.446 4.635 -0.189 1
1 22 . 15 1 1 A 4 4 PRO C C 4 176.949 176.704 0.245 1
1 23 . 15 1 1 A 4 4 PRO CA C 4 63.456 63.005 0.451 1
1 24 . 15 1 1 A 4 4 PRO CB C 4 32.203 31.704 0.499 1
1 25 . 15 1 1 A 5 5 CYS H H 5 8.347 8.362 -0.015 1
1 26 . 15 1 1 A 5 5 CYS HA H 5 4.492 4.707 -0.215 1
1 28 . 15 1 1 A 5 5 CYS C C 5 174.805 174.968 -0.163 1
1 29 . 15 1 1 A 5 5 CYS CA C 5 58.495 58.752 -0.257 1
1 30 . 15 1 1 A 5 5 CYS CB C 5 27.957 28.723 -0.766 1
1 31 . 15 1 1 A 5 5 CYS N N 5 118.477 118.046 0.431 1
1 32 . 15 1 1 A 6 6 MET H H 6 8.421 7.636 0.785 1
1 33 . 15 1 1 A 6 6 MET HA H 6 4.534 4.830 -0.296 1
1 35 . 15 1 1 A 6 6 MET C C 6 176.132 175.148 0.984 1
1 36 . 15 1 1 A 6 6 MET CA C 6 55.629 53.534 2.095 1
1 37 . 15 1 1 A 6 6 MET CB C 6 33.048 34.772 -1.724 1
1 38 . 15 1 1 A 6 6 MET N N 6 122.952 119.074 3.878 1
1 39 . 15 1 1 A 7 7 GLN H H 7 8.313 8.708 -0.395 1
1 40 . 15 1 1 A 7 7 GLN HA H 7 4.435 4.739 -0.304 1
1 42 . 15 1 1 A 7 7 GLN C C 7 176.128 175.233 0.895 1
1 43 . 15 1 1 A 7 7 GLN CA C 7 56.109 54.533 1.576 1
1 44 . 15 1 1 A 7 7 GLN CB C 7 29.591 30.798 -1.207 1
1 45 . 15 1 1 A 7 7 GLN N N 7 121.379 119.033 2.346 1
1 46 . 15 1 1 A 8 8 THR H H 8 8.195 8.516 -0.321 1
1 47 . 15 1 1 A 8 8 THR HA H 8 4.406 4.210 0.196 1
1 49 . 15 1 1 A 8 8 THR C C 8 174.739 173.782 0.957 1
1 50 . 15 1 1 A 8 8 THR CA C 8 61.856 62.805 -0.949 1
1 51 . 15 1 1 A 8 8 THR CB C 8 69.854 66.444 3.410 1
1 52 . 15 1 1 A 8 8 THR N N 8 115.096 118.226 -3.130 1
1 53 . 15 1 1 A 9 9 THR H H 9 8.081 8.480 -0.399 1
1 54 . 15 1 1 A 9 9 THR HA H 9 4.335 4.310 0.025 1
1 56 . 15 1 1 A 9 9 THR C C 9 174.407 174.789 -0.382 1
1 57 . 15 1 1 A 9 9 THR CA C 9 61.896 63.704 -1.808 1
1 58 . 15 1 1 A 9 9 THR CB C 9 69.811 69.335 0.476 1
1 59 . 15 1 1 A 9 9 THR N N 9 115.837 119.994 -4.157 1
1 60 . 15 1 1 A 10 10 HIS H H 10 8.477 8.684 -0.207 1
1 61 . 15 1 1 A 10 10 HIS HA H 10 4.788 4.793 -0.005 1
1 64 . 15 1 1 A 10 10 HIS C C 10 174.571 174.860 -0.289 1
1 65 . 15 1 1 A 10 10 HIS CA C 10 55.477 55.761 -0.284 1
1 66 . 15 1 1 A 10 10 HIS CB C 10 29.291 30.635 -1.344 1
1 67 . 15 1 1 A 10 10 HIS N N 10 120.606 126.202 -5.596 1
1 68 . 15 1 1 A 11 11 SER H H 11 8.306 8.410 -0.104 1
1 69 . 15 1 1 A 11 11 SER HA H 11 4.448 4.311 0.137 1
1 71 . 15 1 1 A 11 11 SER C C 11 174.512 174.773 -0.261 1
1 72 . 15 1 1 A 11 11 SER CA C 11 58.557 57.383 1.174 1
1 73 . 15 1 1 A 11 11 SER CB C 11 63.943 64.132 -0.189 1
1 74 . 15 1 1 A 11 11 SER N N 11 117.043 122.161 -5.118 1
1 75 . 15 1 1 A 12 12 LYS H H 12 8.402 8.829 -0.427 1
1 76 . 15 1 1 A 12 12 LYS HA H 12 4.359 3.892 0.467 1
1 79 . 15 1 1 A 12 12 LYS C C 12 176.592 175.167 1.425 1
1 80 . 15 1 1 A 12 12 LYS CA C 12 56.634 58.929 -2.295 1
1 81 . 15 1 1 A 12 12 LYS CB C 12 33.127 30.903 2.224 1
1 82 . 15 1 1 A 12 12 LYS N N 12 123.023 121.160 1.863 1
1 83 . 15 1 1 A 13 13 MET H H 13 8.343 8.063 0.280 1
1 84 . 15 1 1 A 13 13 MET HA H 13 4.530 4.769 -0.239 1
1 88 . 15 1 1 A 13 13 MET C C 13 176.373 176.733 -0.360 1
1 89 . 15 1 1 A 13 13 MET CA C 13 55.680 54.073 1.607 1
1 90 . 15 1 1 A 13 13 MET CB C 13 32.925 35.121 -2.196 1
1 91 . 15 1 1 A 13 13 MET N N 13 121.294 117.466 3.828 1
1 92 . 15 1 1 A 14 14 THR H H 14 8.068 8.691 -0.623 1
1 93 . 15 1 1 A 14 14 THR HA H 14 4.333 4.563 -0.230 1
1 97 . 15 1 1 A 14 14 THR C C 14 174.246 174.672 -0.426 1
1 98 . 15 1 1 A 14 14 THR CA C 14 61.770 63.634 -1.864 1
1 99 . 15 1 1 A 14 14 THR CB C 14 69.894 69.238 0.656 1
1 100 . 15 1 1 A 14 14 THR N N 14 115.254 118.067 -2.813 1
1 101 . 15 1 1 A 15 15 ALA H H 15 8.289 7.805 0.484 1
1 102 . 15 1 1 A 15 15 ALA HA H 15 4.344 4.609 -0.265 1
1 106 . 15 1 1 A 15 15 ALA C C 15 178.080 176.264 1.816 1
1 107 . 15 1 1 A 15 15 ALA CA C 15 52.779 50.840 1.939 1
1 108 . 15 1 1 A 15 15 ALA CB C 15 19.286 21.180 -1.894 1
1 109 . 15 1 1 A 15 15 ALA N N 15 126.372 122.611 3.761 1
1 110 . 15 1 1 A 16 16 GLY H H 16 8.291 8.149 0.142 1
1 111 . 15 1 1 A 16 16 GLY HA2 H 16 3.913 4.137 -0.224 1
1 112 . 15 1 1 A 16 16 GLY C C 16 173.788 172.951 0.837 1
1 113 . 15 1 1 A 16 16 GLY CA C 16 45.298 45.743 -0.445 1
1 114 . 15 1 1 A 16 16 GLY N N 16 108.095 104.867 3.228 1
1 115 . 15 1 1 A 17 17 ALA H H 17 8.000 8.358 -0.358 1
1 116 . 15 1 1 A 17 17 ALA HA H 17 4.292 3.993 0.299 1
1 120 . 15 1 1 A 17 17 ALA C C 17 177.366 175.730 1.636 1
1 121 . 15 1 1 A 17 17 ALA CA C 17 52.518 53.753 -1.235 1
1 122 . 15 1 1 A 17 17 ALA CB C 17 19.577 18.189 1.388 1
1 123 . 15 1 1 A 17 17 ALA N N 17 123.370 121.913 1.457 1
1 124 . 15 1 1 A 18 18 TYR H H 18 8.135 8.308 -0.173 1
1 125 . 15 1 1 A 18 18 TYR HA H 18 4.640 4.855 -0.215 1
1 129 . 15 1 1 A 18 18 TYR C C 18 176.031 174.939 1.092 1
1 130 . 15 1 1 A 18 18 TYR CA C 18 57.973 57.617 0.356 1
1 131 . 15 1 1 A 18 18 TYR CB C 18 38.661 39.825 -1.164 1
1 132 . 15 1 1 A 18 18 TYR N N 18 119.212 119.575 -0.363 1
1 133 . 15 1 1 A 19 19 THR H H 19 7.912 8.635 -0.723 1
1 134 . 15 1 1 A 19 19 THR HA H 19 4.267 4.750 -0.483 1
1 139 . 15 1 1 A 19 19 THR C C 19 173.995 173.145 0.850 1
1 140 . 15 1 1 A 19 19 THR CA C 19 61.848 61.137 0.711 1
1 141 . 15 1 1 A 19 19 THR CB C 19 69.756 68.381 1.375 1
1 142 . 15 1 1 A 19 19 THR N N 19 115.764 116.371 -0.607 1
1 143 . 15 1 1 A 20 20 GLU H H 20 8.077 8.615 -0.538 1
1 144 . 15 1 1 A 20 20 GLU HA H 20 4.301 4.847 -0.546 1
1 148 . 15 1 1 A 20 20 GLU C C 20 176.128 176.868 -0.740 1
1 149 . 15 1 1 A 20 20 GLU CA C 20 56.312 55.685 0.627 1
1 150 . 15 1 1 A 20 20 GLU CB C 20 30.423 30.335 0.088 1
1 152 . 15 1 1 A 20 20 GLU N N 20 122.553 124.376 -1.823 1
1 153 . 15 1 1 A 21 21 GLY H H 21 7.966 8.886 -0.920 1
1 154 . 15 1 1 A 21 21 GLY HA2 H 21 3.903 3.903 0.000 1
1 155 . 15 1 1 A 21 21 GLY CA C 21 44.257 45.379 -1.122 1
1 156 . 15 1 1 A 21 21 GLY N N 21 109.544 113.134 -3.590 1
1 157 . 15 1 1 A 22 22 PRO HA H 22 4.232 4.363 -0.131 1
1 164 . 15 1 1 A 22 22 PRO CA C 22 61.109 65.067 -3.958 1
1 165 . 15 1 1 A 22 22 PRO CB C 22 30.711 31.555 -0.844 1
1 168 . 15 1 1 A 23 23 PRO HA H 23 4.363 4.469 -0.106 1
1 174 . 15 1 1 A 23 23 PRO C C 23 176.567 176.862 -0.295 1
1 175 . 15 1 1 A 23 23 PRO CA C 23 62.733 63.055 -0.322 1
1 176 . 15 1 1 A 23 23 PRO CB C 23 32.048 32.119 -0.071 1
1 179 . 15 1 1 A 24 24 GLN H H 24 8.286 8.487 -0.201 1
1 180 . 15 1 1 A 24 24 GLN HA H 24 4.479 4.650 -0.171 1
1 186 . 15 1 1 A 24 24 GLN CA C 24 53.763 53.955 -0.192 1
1 187 . 15 1 1 A 24 24 GLN CB C 24 28.800 28.374 0.426 1
1 189 . 15 1 1 A 24 24 GLN N N 24 121.215 122.517 -1.302 1
1 191 . 15 1 1 A 25 25 PRO HA H 25 4.389 5.266 -0.877 1
1 198 . 15 1 1 A 25 25 PRO C C 25 176.707 176.418 0.289 1
1 199 . 15 1 1 A 25 25 PRO CA C 25 62.867 63.132 -0.265 1
1 200 . 15 1 1 A 25 25 PRO CB C 25 32.174 32.213 -0.039 1
1 203 . 15 1 1 A 26 26 LEU H H 26 8.244 8.138 0.106 1
1 204 . 15 1 1 A 26 26 LEU HA H 26 4.405 5.125 -0.720 1
1 214 . 15 1 1 A 26 26 LEU C C 26 177.517 175.764 1.753 1
1 215 . 15 1 1 A 26 26 LEU CA C 26 54.643 52.084 2.559 1
1 216 . 15 1 1 A 26 26 LEU CB C 26 43.618 45.453 -1.835 1
1 220 . 15 1 1 A 26 26 LEU N N 26 122.745 117.988 4.757 1
1 221 . 15 1 1 A 27 27 SER H H 27 8.758 8.664 0.094 1
1 222 . 15 1 1 A 27 27 SER HA H 27 4.474 4.563 -0.089 1
1 225 . 15 1 1 A 27 27 SER C C 27 174.789 175.425 -0.636 1
1 226 . 15 1 1 A 27 27 SER CA C 27 57.461 58.436 -0.975 1
1 227 . 15 1 1 A 27 27 SER CB C 27 65.280 63.748 1.532 1
1 228 . 15 1 1 A 27 27 SER N N 27 117.967 116.045 1.922 1
1 229 . 15 1 1 A 28 28 ALA H H 28 8.841 8.944 -0.103 1
1 230 . 15 1 1 A 28 28 ALA HA H 28 4.037 3.957 0.080 1
1 234 . 15 1 1 A 28 28 ALA CA C 28 55.346 55.337 0.009 1
1 235 . 15 1 1 A 28 28 ALA CB C 28 18.347 18.309 0.038 1
1 236 . 15 1 1 A 28 28 ALA N N 28 124.144 130.150 -6.006 1
1 237 . 15 1 1 A 29 29 GLU H H 29 8.565 7.951 0.614 1
1 238 . 15 1 1 A 29 29 GLU HA H 29 4.026 4.049 -0.023 1
1 242 . 15 1 1 A 29 29 GLU C C 29 178.877 179.117 -0.240 1
1 243 . 15 1 1 A 29 29 GLU CA C 29 59.430 59.781 -0.351 1
1 244 . 15 1 1 A 29 29 GLU CB C 29 29.244 29.145 0.099 1
1 246 . 15 1 1 A 29 29 GLU N N 29 117.527 118.766 -1.239 1
1 247 . 15 1 1 A 30 30 GLU H H 30 7.823 7.991 -0.168 1
1 248 . 15 1 1 A 30 30 GLU HA H 30 4.054 4.113 -0.059 1
1 253 . 15 1 1 A 30 30 GLU C C 30 179.191 179.293 -0.102 1
1 254 . 15 1 1 A 30 30 GLU CA C 30 59.037 58.989 0.048 1
1 255 . 15 1 1 A 30 30 GLU CB C 30 30.102 29.377 0.725 1
1 257 . 15 1 1 A 30 30 GLU N N 30 120.773 118.937 1.836 1
1 258 . 15 1 1 A 31 31 LYS H H 31 8.246 7.692 0.554 1
1 259 . 15 1 1 A 31 31 LYS HA H 31 3.844 4.228 -0.384 1
1 266 . 15 1 1 A 31 31 LYS C C 31 177.968 179.243 -1.275 1
1 267 . 15 1 1 A 31 31 LYS CA C 31 59.889 59.671 0.218 1
1 268 . 15 1 1 A 31 31 LYS CB C 31 32.350 32.068 0.282 1
1 272 . 15 1 1 A 31 31 LYS N N 31 119.315 119.870 -0.555 1
1 273 . 15 1 1 A 32 32 LYS H H 32 7.698 8.247 -0.549 1
1 274 . 15 1 1 A 32 32 LYS HA H 32 4.043 3.987 0.056 1
1 282 . 15 1 1 A 32 32 LYS C C 32 178.848 179.228 -0.380 1
1 283 . 15 1 1 A 32 32 LYS CA C 32 59.479 59.466 0.013 1
1 284 . 15 1 1 A 32 32 LYS CB C 32 32.459 32.159 0.300 1
1 288 . 15 1 1 A 32 32 LYS N N 32 118.195 120.583 -2.388 1
1 289 . 15 1 1 A 33 33 GLU H H 33 7.512 7.959 -0.447 1
1 290 . 15 1 1 A 33 33 GLU HA H 33 4.031 4.123 -0.092 1
1 295 . 15 1 1 A 33 33 GLU C C 33 178.989 179.620 -0.631 1
1 296 . 15 1 1 A 33 33 GLU CA C 33 59.157 58.956 0.201 1
1 297 . 15 1 1 A 33 33 GLU CB C 33 29.220 29.934 -0.714 1
1 299 . 15 1 1 A 33 33 GLU N N 33 118.459 119.663 -1.204 1
1 300 . 15 1 1 A 34 34 ILE H H 34 7.912 8.030 -0.118 1
1 301 . 15 1 1 A 34 34 ILE HA H 34 3.503 3.803 -0.300 1
1 311 . 15 1 1 A 34 34 ILE C C 34 180.639 177.685 2.954 1
1 312 . 15 1 1 A 34 34 ILE CA C 34 65.305 64.105 1.200 1
1 313 . 15 1 1 A 34 34 ILE CB C 34 38.540 37.415 1.125 1
1 317 . 15 1 1 A 34 34 ILE N N 34 120.176 117.972 2.204 1
1 318 . 15 1 1 A 35 35 ASP H H 35 8.457 8.040 0.417 1
1 319 . 15 1 1 A 35 35 ASP HA H 35 4.145 4.574 -0.429 1
1 322 . 15 1 1 A 35 35 ASP C C 35 178.790 178.103 0.687 1
1 323 . 15 1 1 A 35 35 ASP CA C 35 58.322 56.584 1.738 1
1 324 . 15 1 1 A 35 35 ASP CB C 35 39.538 41.057 -1.519 1
1 325 . 15 1 1 A 35 35 ASP N N 35 123.589 121.478 2.111 1
1 326 . 15 1 1 A 36 36 LYS H H 36 7.573 7.934 -0.361 1
1 327 . 15 1 1 A 36 36 LYS HA H 36 4.187 4.180 0.007 1
1 334 . 15 1 1 A 36 36 LYS C C 36 176.400 178.383 -1.983 1
1 335 . 15 1 1 A 36 36 LYS CA C 36 58.656 59.179 -0.523 1
1 336 . 15 1 1 A 36 36 LYS CB C 36 32.991 32.607 0.384 1
1 340 . 15 1 1 A 36 36 LYS N N 36 117.506 118.352 -0.846 1
1 341 . 15 1 1 A 37 37 ARG H H 37 7.397 7.287 0.110 1
1 342 . 15 1 1 A 37 37 ARG HA H 37 4.658 4.437 0.221 1
1 348 . 15 1 1 A 37 37 ARG C C 37 174.361 175.804 -1.443 1
1 349 . 15 1 1 A 37 37 ARG CA C 37 55.793 55.924 -0.131 1
1 350 . 15 1 1 A 37 37 ARG CB C 37 31.260 30.995 0.265 1
1 353 . 15 1 1 A 37 37 ARG N N 37 115.182 117.021 -1.839 1
1 354 . 15 1 1 A 38 38 SER H H 38 7.416 7.709 -0.293 1
1 355 . 15 1 1 A 38 38 SER HA H 38 6.346 5.385 0.961 1
1 358 . 15 1 1 A 38 38 SER C C 38 173.807 173.736 0.071 1
1 359 . 15 1 1 A 38 38 SER CA C 38 57.574 56.171 1.403 1
1 360 . 15 1 1 A 38 38 SER CB C 38 67.003 65.872 1.131 1
1 361 . 15 1 1 A 38 38 SER N N 38 112.872 112.919 -0.047 1
1 362 . 15 1 1 A 39 39 VAL H H 39 8.812 8.664 0.148 1
1 363 . 15 1 1 A 39 39 VAL HA H 39 5.117 5.162 -0.045 1
1 371 . 15 1 1 A 39 39 VAL C C 39 174.519 173.649 0.870 1
1 372 . 15 1 1 A 39 39 VAL CA C 39 59.085 59.133 -0.048 1
1 373 . 15 1 1 A 39 39 VAL CB C 39 34.476 35.656 -1.180 1
1 376 . 15 1 1 A 39 39 VAL N N 39 111.961 113.540 -1.579 1
1 377 . 15 1 1 A 40 40 TYR H H 40 9.366 9.474 -0.108 1
1 378 . 15 1 1 A 40 40 TYR HA H 40 5.108 5.275 -0.167 1
1 385 . 15 1 1 A 40 40 TYR C C 40 172.976 174.010 -1.034 1
1 386 . 15 1 1 A 40 40 TYR CA C 40 56.633 56.581 0.052 1
1 387 . 15 1 1 A 40 40 TYR CB C 40 41.058 40.553 0.505 1
1 390 . 15 1 1 A 40 40 TYR N N 40 123.743 125.385 -1.642 1
1 391 . 15 1 1 A 41 41 VAL H H 41 8.734 9.034 -0.300 1
1 392 . 15 1 1 A 41 41 VAL HA H 41 4.876 5.036 -0.160 1
1 400 . 15 1 1 A 41 41 VAL C C 41 174.651 175.064 -0.413 1
1 401 . 15 1 1 A 41 41 VAL CA C 41 59.798 60.754 -0.956 1
1 402 . 15 1 1 A 41 41 VAL CB C 41 33.329 32.893 0.436 1
1 405 . 15 1 1 A 41 41 VAL N N 41 127.436 127.869 -0.433 1
1 406 . 15 1 1 A 42 42 GLY H H 42 9.669 8.615 1.054 1
1 407 . 15 1 1 A 42 42 GLY HA2 H 42 3.612 3.937 -0.325 1
1 408 . 15 1 1 A 42 42 GLY HA3 H 42 4.392 3.965 0.427 1
1 409 . 15 1 1 A 42 42 GLY C C 42 173.639 174.354 -0.715 1
1 410 . 15 1 1 A 42 42 GLY CA C 42 44.169 43.499 0.670 1
1 411 . 15 1 1 A 42 42 GLY N N 42 113.263 115.297 -2.034 1
1 412 . 15 1 1 A 43 43 ASN H H 43 8.412 8.980 -0.568 1
1 413 . 15 1 1 A 43 43 ASN HA H 43 4.510 4.402 0.108 1
1 418 . 15 1 1 A 43 43 ASN C C 43 174.364 174.964 -0.600 1
1 419 . 15 1 1 A 43 43 ASN CA C 43 53.557 54.350 -0.793 1
1 420 . 15 1 1 A 43 43 ASN CB C 43 37.283 38.340 -1.057 1
1 421 . 15 1 1 A 43 43 ASN N N 43 115.451 118.721 -3.270 1
1 423 . 15 1 1 A 44 44 VAL H H 44 7.083 7.445 -0.362 1
1 424 . 15 1 1 A 44 44 VAL HA H 44 3.975 4.434 -0.459 1
1 432 . 15 1 1 A 44 44 VAL C C 44 175.885 174.833 1.052 1
1 433 . 15 1 1 A 44 44 VAL CA C 44 61.614 61.424 0.190 1
1 434 . 15 1 1 A 44 44 VAL CB C 44 32.914 32.316 0.598 1
1 437 . 15 1 1 A 44 44 VAL N N 44 115.399 119.548 -4.149 1
1 438 . 15 1 1 A 45 45 ASP H H 45 8.305 8.528 -0.223 1
1 439 . 15 1 1 A 45 45 ASP HA H 45 4.467 4.711 -0.244 1
1 442 . 15 1 1 A 45 45 ASP C C 45 177.205 176.007 1.198 1
1 443 . 15 1 1 A 45 45 ASP CA C 45 54.613 53.502 1.111 1
1 444 . 15 1 1 A 45 45 ASP CB C 45 43.657 42.174 1.483 1
1 445 . 15 1 1 A 45 45 ASP N N 45 124.440 129.751 -5.311 1
1 446 . 15 1 1 A 46 46 TYR H H 46 8.715 8.459 0.256 1
1 447 . 15 1 1 A 46 46 TYR HA H 46 4.483 4.041 0.442 1
1 454 . 15 1 1 A 46 46 TYR C C 46 175.453 176.752 -1.299 1
1 455 . 15 1 1 A 46 46 TYR CA C 46 59.464 60.143 -0.679 1
1 456 . 15 1 1 A 46 46 TYR CB C 46 38.753 38.059 0.694 1
1 458 . 15 1 1 A 46 46 TYR N N 46 125.588 120.602 4.986 1
1 459 . 15 1 1 A 47 47 GLY H H 47 8.387 8.912 -0.525 1
1 460 . 15 1 1 A 47 47 GLY HA2 H 47 3.561 4.031 -0.470 1
1 461 . 15 1 1 A 47 47 GLY HA3 H 47 4.348 4.036 0.312 1
1 462 . 15 1 1 A 47 47 GLY C C 47 173.578 174.827 -1.249 1
1 463 . 15 1 1 A 47 47 GLY CA C 47 44.965 45.408 -0.443 1
1 464 . 15 1 1 A 47 47 GLY N N 47 106.974 113.372 -6.398 1
1 465 . 15 1 1 A 48 48 SER H H 48 7.417 7.559 -0.142 1
1 466 . 15 1 1 A 48 48 SER HA H 48 4.428 4.550 -0.122 1
1 468 . 15 1 1 A 48 48 SER C C 48 173.220 175.305 -2.085 1
1 469 . 15 1 1 A 48 48 SER CA C 48 59.892 59.404 0.488 1
1 470 . 15 1 1 A 48 48 SER CB C 48 64.519 63.964 0.555 1
1 471 . 15 1 1 A 48 48 SER N N 48 115.423 117.470 -2.047 1
1 472 . 15 1 1 A 49 49 THR H H 49 8.474 9.302 -0.828 1
1 473 . 15 1 1 A 49 49 THR HA H 49 4.660 4.711 -0.051 1
1 478 . 15 1 1 A 49 49 THR C C 49 175.940 175.837 0.103 1
1 479 . 15 1 1 A 49 49 THR CA C 49 58.831 60.394 -1.563 1
1 480 . 15 1 1 A 49 49 THR CB C 49 72.585 71.483 1.102 1
1 482 . 15 1 1 A 49 49 THR N N 49 112.103 116.091 -3.988 1
1 483 . 15 1 1 A 50 50 ALA H H 50 9.723 9.130 0.593 1
1 484 . 15 1 1 A 50 50 ALA HA H 50 3.923 4.063 -0.140 1
1 488 . 15 1 1 A 50 50 ALA C C 50 179.045 180.064 -1.019 1
1 489 . 15 1 1 A 50 50 ALA CA C 50 55.643 55.326 0.317 1
1 490 . 15 1 1 A 50 50 ALA CB C 50 18.259 17.953 0.306 1
1 491 . 15 1 1 A 50 50 ALA N N 50 123.988 124.591 -0.603 1
1 492 . 15 1 1 A 51 51 GLN H H 51 7.730 8.113 -0.383 1
1 493 . 15 1 1 A 51 51 GLN HA H 51 3.940 4.040 -0.100 1
1 500 . 15 1 1 A 51 51 GLN C C 51 178.215 177.329 0.886 1
1 501 . 15 1 1 A 51 51 GLN CA C 51 59.096 58.644 0.452 1
1 502 . 15 1 1 A 51 51 GLN CB C 51 28.508 28.449 0.059 1
1 504 . 15 1 1 A 51 51 GLN N N 51 116.375 116.133 0.242 1
1 505 . 15 1 1 A 52 52 ASP H H 52 8.273 8.166 0.107 1
1 506 . 15 1 1 A 52 52 ASP HA H 52 4.587 4.518 0.069 1
1 507 . 15 1 1 A 52 52 ASP C C 52 179.837 178.514 1.323 1
1 508 . 15 1 1 A 52 52 ASP CA C 52 57.556 57.169 0.387 1
1 509 . 15 1 1 A 52 52 ASP CB C 52 41.057 39.880 1.177 1
1 510 . 15 1 1 A 52 52 ASP N N 52 120.755 119.392 1.363 1
1 511 . 15 1 1 A 53 53 LEU H H 53 7.855 8.182 -0.327 1
1 512 . 15 1 1 A 53 53 LEU HA H 53 3.933 4.061 -0.128 1
1 522 . 15 1 1 A 53 53 LEU C C 53 178.463 179.350 -0.887 1
1 523 . 15 1 1 A 53 53 LEU CA C 53 58.367 58.136 0.231 1
1 524 . 15 1 1 A 53 53 LEU CB C 53 42.646 41.357 1.289 1
1 528 . 15 1 1 A 53 53 LEU N N 53 122.035 121.076 0.959 1
1 529 . 15 1 1 A 54 54 GLU H H 54 8.804 8.534 0.270 1
1 530 . 15 1 1 A 54 54 GLU HA H 54 3.745 4.080 -0.335 1
1 534 . 15 1 1 A 54 54 GLU C C 54 178.467 178.775 -0.308 1
1 535 . 15 1 1 A 54 54 GLU CA C 54 59.833 59.132 0.701 1
1 536 . 15 1 1 A 54 54 GLU CB C 54 29.238 29.746 -0.508 1
1 538 . 15 1 1 A 54 54 GLU N N 54 120.472 118.209 2.263 1
1 539 . 15 1 1 A 55 55 ALA H H 55 8.098 7.897 0.201 1
1 540 . 15 1 1 A 55 55 ALA HA H 55 4.249 4.197 0.052 1
1 544 . 15 1 1 A 55 55 ALA C C 55 180.711 180.004 0.707 1
1 545 . 15 1 1 A 55 55 ALA CA C 55 55.077 55.112 -0.035 1
1 546 . 15 1 1 A 55 55 ALA CB C 55 18.164 18.849 -0.685 1
1 547 . 15 1 1 A 55 55 ALA N N 55 119.302 122.453 -3.151 1
1 548 . 15 1 1 A 56 56 HIS H H 56 7.927 7.659 0.268 1
1 549 . 15 1 1 A 56 56 HIS HA H 56 4.281 4.105 0.176 1
1 553 . 15 1 1 A 56 56 HIS C C 56 176.342 176.976 -0.634 1
1 554 . 15 1 1 A 56 56 HIS CA C 56 59.362 59.039 0.323 1
1 555 . 15 1 1 A 56 56 HIS CB C 56 31.200 29.324 1.876 1
1 556 . 15 1 1 A 56 56 HIS N N 56 117.016 117.979 -0.963 1
1 557 . 15 1 1 A 57 57 PHE H H 57 7.811 7.961 -0.150 1
1 558 . 15 1 1 A 57 57 PHE HA H 57 4.554 4.226 0.328 1
1 565 . 15 1 1 A 57 57 PHE C C 57 177.301 178.180 -0.879 1
1 566 . 15 1 1 A 57 57 PHE CA C 57 59.480 61.661 -2.181 1
1 567 . 15 1 1 A 57 57 PHE CB C 57 40.432 39.141 1.291 1
1 571 . 15 1 1 A 57 57 PHE N N 57 111.423 115.822 -4.399 1
1 572 . 15 1 1 A 58 58 SER H H 58 8.126 8.805 -0.679 1
1 573 . 15 1 1 A 58 58 SER HA H 58 4.468 4.765 -0.297 1
1 575 . 15 1 1 A 58 58 SER C C 58 176.676 176.655 0.021 1
1 576 . 15 1 1 A 58 58 SER CA C 58 62.159 61.874 0.285 1
1 577 . 15 1 1 A 58 58 SER N N 58 118.439 116.752 1.687 1
1 578 . 15 1 1 A 59 59 SER H H 59 8.422 7.688 0.734 1
1 579 . 15 1 1 A 59 59 SER HA H 59 4.291 4.305 -0.014 1
1 581 . 15 1 1 A 59 59 SER C C 59 175.955 175.072 0.883 1
1 582 . 15 1 1 A 59 59 SER CA C 59 60.277 61.465 -1.188 1
1 583 . 15 1 1 A 59 59 SER CB C 59 62.444 63.042 -0.598 1
1 584 . 15 1 1 A 59 59 SER N N 59 116.618 117.708 -1.090 1
1 585 . 15 1 1 A 60 60 CYS H H 60 8.226 7.836 0.390 1
1 586 . 15 1 1 A 60 60 CYS HA H 60 4.067 4.523 -0.456 1
1 589 . 15 1 1 A 60 60 CYS C C 60 174.682 173.783 0.899 1
1 590 . 15 1 1 A 60 60 CYS CA C 60 60.683 59.264 1.419 1
1 591 . 15 1 1 A 60 60 CYS CB C 60 28.894 28.731 0.163 1
1 592 . 15 1 1 A 60 60 CYS N N 60 118.900 117.036 1.864 1
1 593 . 15 1 1 A 61 61 GLY H H 61 7.414 7.337 0.077 1
1 594 . 15 1 1 A 61 61 GLY HA2 H 61 3.887 4.028 -0.141 1
1 595 . 15 1 1 A 61 61 GLY HA3 H 61 4.489 4.073 0.416 1
1 596 . 15 1 1 A 61 61 GLY C C 61 171.619 172.039 -0.420 1
1 597 . 15 1 1 A 61 61 GLY CA C 61 44.000 45.602 -1.602 1
1 598 . 15 1 1 A 61 61 GLY N N 61 106.320 108.541 -2.221 1
1 599 . 15 1 1 A 62 62 SER H H 62 8.182 8.599 -0.417 1
1 600 . 15 1 1 A 62 62 SER HA H 62 4.420 5.334 -0.914 1
1 603 . 15 1 1 A 62 62 SER C C 62 175.295 174.087 1.208 1
1 604 . 15 1 1 A 62 62 SER CA C 62 59.839 58.356 1.483 1
1 605 . 15 1 1 A 62 62 SER CB C 62 63.617 64.122 -0.505 1
1 606 . 15 1 1 A 62 62 SER N N 62 112.485 117.271 -4.786 1
1 607 . 15 1 1 A 63 63 ILE H H 63 8.857 9.069 -0.212 1
1 608 . 15 1 1 A 63 63 ILE HA H 63 4.007 4.059 -0.052 1
1 618 . 15 1 1 A 63 63 ILE C C 63 175.045 175.776 -0.731 1
1 619 . 15 1 1 A 63 63 ILE CA C 63 61.979 61.735 0.244 1
1 620 . 15 1 1 A 63 63 ILE CB C 63 41.048 37.750 3.298 1
1 624 . 15 1 1 A 63 63 ILE N N 63 127.966 127.331 0.635 1
1 625 . 15 1 1 A 64 64 ASN H H 64 8.897 9.163 -0.266 1
1 626 . 15 1 1 A 64 64 ASN HA H 64 4.667 4.418 0.249 1
1 631 . 15 1 1 A 64 64 ASN C C 64 174.686 175.192 -0.506 1
1 632 . 15 1 1 A 64 64 ASN CA C 64 53.627 55.322 -1.695 1
1 633 . 15 1 1 A 64 64 ASN CB C 64 40.062 40.110 -0.048 1
1 634 . 15 1 1 A 64 64 ASN N N 64 124.997 126.009 -1.012 1
1 636 . 15 1 1 A 65 65 ARG H H 65 7.419 7.079 0.340 1
1 637 . 15 1 1 A 65 65 ARG HA H 65 5.155 4.872 0.283 1
1 645 . 15 1 1 A 65 65 ARG C C 65 173.788 173.998 -0.210 1
1 646 . 15 1 1 A 65 65 ARG CA C 65 55.703 54.811 0.892 1
1 647 . 15 1 1 A 65 65 ARG CB C 65 35.408 35.015 0.393 1
1 650 . 15 1 1 A 65 65 ARG N N 65 116.737 116.397 0.340 1
1 652 . 15 1 1 A 66 66 ILE H H 66 8.681 8.605 0.076 1
1 653 . 15 1 1 A 66 66 ILE HA H 66 4.574 5.083 -0.509 1
1 663 . 15 1 1 A 66 66 ILE C C 66 173.717 174.355 -0.638 1
1 664 . 15 1 1 A 66 66 ILE CA C 66 61.049 59.115 1.934 1
1 665 . 15 1 1 A 66 66 ILE CB C 66 42.988 42.312 0.676 1
1 669 . 15 1 1 A 66 66 ILE N N 66 123.359 117.145 6.214 1
1 670 . 15 1 1 A 67 67 THR H H 67 8.861 8.853 0.008 1
1 671 . 15 1 1 A 67 67 THR HA H 67 5.378 5.100 0.278 1
1 676 . 15 1 1 A 67 67 THR C C 67 173.526 173.359 0.167 1
1 677 . 15 1 1 A 67 67 THR CA C 67 61.112 61.928 -0.816 1
1 678 . 15 1 1 A 67 67 THR CB C 67 70.857 70.649 0.208 1
1 680 . 15 1 1 A 67 67 THR N N 67 124.375 118.918 5.457 1
1 681 . 15 1 1 A 68 68 ILE H H 68 9.768 9.238 0.530 1
1 682 . 15 1 1 A 68 68 ILE HA H 68 4.333 4.657 -0.324 1
1 692 . 15 1 1 A 68 68 ILE C C 68 173.743 174.890 -1.147 1
1 693 . 15 1 1 A 68 68 ILE CA C 68 61.237 59.973 1.264 1
1 694 . 15 1 1 A 68 68 ILE CB C 68 40.908 40.004 0.904 1
1 698 . 15 1 1 A 68 68 ILE N N 68 127.340 128.638 -1.298 1
1 699 . 15 1 1 A 69 69 LEU H H 69 9.045 9.135 -0.090 1
1 700 . 15 1 1 A 69 69 LEU HA H 69 5.074 5.082 -0.008 1
1 710 . 15 1 1 A 69 69 LEU C C 69 175.502 175.188 0.314 1
1 711 . 15 1 1 A 69 69 LEU CA C 69 55.186 52.964 2.222 1
1 712 . 15 1 1 A 69 69 LEU CB C 69 42.702 44.514 -1.812 1
1 716 . 15 1 1 A 69 69 LEU N N 69 128.686 125.469 3.217 1
1 717 . 15 1 1 A 70 70 CYS H H 70 8.767 8.870 -0.103 1
1 718 . 15 1 1 A 70 70 CYS HA H 70 5.237 5.759 -0.522 1
1 720 . 15 1 1 A 70 70 CYS C C 70 173.558 173.301 0.257 1
1 721 . 15 1 1 A 70 70 CYS CA C 70 57.609 56.596 1.013 1
1 722 . 15 1 1 A 70 70 CYS CB C 70 29.830 29.701 0.129 1
1 723 . 15 1 1 A 70 70 CYS N N 70 120.856 121.546 -0.690 1
1 724 . 15 1 1 A 71 71 ASP H H 71 9.109 9.054 0.055 1
1 725 . 15 1 1 A 71 71 ASP HA H 71 5.193 5.473 -0.280 1
1 728 . 15 1 1 A 71 71 ASP C C 71 175.440 175.962 -0.522 1
1 729 . 15 1 1 A 71 71 ASP CA C 71 53.705 52.301 1.404 1
1 730 . 15 1 1 A 71 71 ASP CB C 71 44.774 44.175 0.599 1
1 731 . 15 1 1 A 71 71 ASP N N 71 124.936 123.331 1.605 1
1 732 . 15 1 1 A 72 72 LYS H H 72 8.262 8.643 -0.381 1
1 733 . 15 1 1 A 72 72 LYS HA H 72 4.553 4.646 -0.093 1
1 740 . 15 1 1 A 72 72 LYS C C 72 177.732 176.913 0.819 1
1 741 . 15 1 1 A 72 72 LYS CA C 72 55.608 56.163 -0.555 1
1 742 . 15 1 1 A 72 72 LYS CB C 72 32.469 32.309 0.160 1
1 745 . 15 1 1 A 72 72 LYS N N 72 120.339 119.442 0.897 1
1 746 . 15 1 1 A 73 73 PHE H H 73 8.663 7.901 0.762 1
1 747 . 15 1 1 A 73 73 PHE HA H 73 4.357 4.241 0.116 1
1 752 . 15 1 1 A 73 73 PHE C C 73 177.148 177.170 -0.022 1
1 753 . 15 1 1 A 73 73 PHE CA C 73 60.214 61.169 -0.955 1
1 754 . 15 1 1 A 73 73 PHE CB C 73 39.157 38.075 1.082 1
1 756 . 15 1 1 A 73 73 PHE N N 73 121.961 119.864 2.097 1
1 757 . 15 1 1 A 74 74 SER H H 74 8.780 7.348 1.432 1
1 758 . 15 1 1 A 74 74 SER HA H 74 4.353 4.629 -0.276 1
1 760 . 15 1 1 A 74 74 SER C C 74 174.810 174.737 0.073 1
1 761 . 15 1 1 A 74 74 SER CA C 74 58.965 58.332 0.633 1
1 762 . 15 1 1 A 74 74 SER CB C 74 63.650 63.625 0.025 1
1 763 . 15 1 1 A 74 74 SER N N 74 114.021 112.753 1.268 1
1 764 . 15 1 1 A 75 75 GLY H H 75 8.004 8.236 -0.232 1
1 765 . 15 1 1 A 75 75 GLY HA2 H 75 3.635 3.828 -0.193 1
1 766 . 15 1 1 A 75 75 GLY HA3 H 75 4.221 3.922 0.299 1
1 767 . 15 1 1 A 75 75 GLY C C 75 173.254 173.728 -0.474 1
1 768 . 15 1 1 A 75 75 GLY CA C 75 45.162 45.466 -0.304 1
1 769 . 15 1 1 A 75 75 GLY N N 75 108.714 110.173 -1.459 1
1 770 . 15 1 1 A 76 76 HIS H H 76 7.670 7.858 -0.188 1
1 771 . 15 1 1 A 76 76 HIS HA H 76 5.020 4.783 0.237 1
1 775 . 15 1 1 A 76 76 HIS CA C 76 52.522 54.195 -1.673 1
1 776 . 15 1 1 A 76 76 HIS CB C 76 29.410 30.554 -1.144 1
1 777 . 15 1 1 A 76 76 HIS N N 76 118.164 119.193 -1.029 1
1 778 . 15 1 1 A 77 77 PRO HA H 77 4.551 4.904 -0.353 1
1 784 . 15 1 1 A 77 77 PRO C C 77 176.458 176.077 0.381 1
1 785 . 15 1 1 A 77 77 PRO CA C 77 63.263 62.680 0.583 1
1 786 . 15 1 1 A 77 77 PRO CB C 77 32.077 31.879 0.198 1
1 789 . 15 1 1 A 78 78 LYS H H 78 8.846 8.972 -0.126 1
1 790 . 15 1 1 A 78 78 LYS HA H 78 4.772 5.020 -0.248 1
1 796 . 15 1 1 A 78 78 LYS CA C 78 55.964 54.644 1.320 1
1 797 . 15 1 1 A 78 78 LYS CB C 78 35.816 35.685 0.131 1
1 799 . 15 1 1 A 78 78 LYS N N 78 124.197 123.063 1.134 1
1 800 . 15 1 1 A 79 79 GLY H H 79 8.352 8.499 -0.147 1
1 801 . 15 1 1 A 79 79 GLY HA2 H 79 3.871 4.270 -0.399 1
1 802 . 15 1 1 A 79 79 GLY HA3 H 79 5.451 4.285 1.166 1
1 803 . 15 1 1 A 79 79 GLY C C 79 173.400 172.218 1.182 1
1 804 . 15 1 1 A 79 79 GLY CA C 79 45.189 44.177 1.012 1
1 805 . 15 1 1 A 79 79 GLY N N 79 109.568 108.374 1.194 1
1 806 . 15 1 1 A 80 80 TYR H H 80 8.856 8.895 -0.039 1
1 807 . 15 1 1 A 80 80 TYR HA H 80 4.940 5.426 -0.486 1
1 814 . 15 1 1 A 80 80 TYR C C 80 171.720 172.437 -0.717 1
1 815 . 15 1 1 A 80 80 TYR CA C 80 56.267 56.132 0.135 1
1 816 . 15 1 1 A 80 80 TYR CB C 80 40.003 41.849 -1.846 1
1 818 . 15 1 1 A 80 80 TYR N N 80 120.052 116.893 3.159 1
1 819 . 15 1 1 A 81 81 ALA H H 81 9.215 8.826 0.389 1
1 820 . 15 1 1 A 81 81 ALA HA H 81 5.386 5.344 0.042 1
1 824 . 15 1 1 A 81 81 ALA C C 81 175.357 175.008 0.349 1
1 825 . 15 1 1 A 81 81 ALA CA C 81 50.089 50.146 -0.057 1
1 826 . 15 1 1 A 81 81 ALA CB C 81 24.030 23.044 0.986 1
1 827 . 15 1 1 A 81 81 ALA N N 81 120.138 122.426 -2.288 1
1 828 . 15 1 1 A 82 82 TYR H H 82 8.974 9.334 -0.360 1
1 829 . 15 1 1 A 82 82 TYR HA H 82 5.885 5.796 0.089 1
1 836 . 15 1 1 A 82 82 TYR C C 82 176.232 174.439 1.793 1
1 837 . 15 1 1 A 82 82 TYR CA C 82 55.626 56.722 -1.096 1
1 838 . 15 1 1 A 82 82 TYR CB C 82 41.536 40.358 1.178 1
1 839 . 15 1 1 A 82 82 TYR N N 82 114.621 119.716 -5.095 1
1 840 . 15 1 1 A 83 83 ILE H H 83 8.644 8.727 -0.083 1
1 841 . 15 1 1 A 83 83 ILE HA H 83 4.275 4.335 -0.060 1
1 851 . 15 1 1 A 83 83 ILE C C 83 173.516 174.661 -1.145 1
1 852 . 15 1 1 A 83 83 ILE CA C 83 60.345 59.892 0.453 1
1 853 . 15 1 1 A 83 83 ILE CB C 83 39.535 38.510 1.025 1
1 857 . 15 1 1 A 83 83 ILE N N 83 122.447 124.781 -2.334 1
1 858 . 15 1 1 A 84 84 GLU H H 84 8.612 8.768 -0.156 1
1 859 . 15 1 1 A 84 84 GLU HA H 84 4.801 4.764 0.037 1
1 862 . 15 1 1 A 84 84 GLU C C 84 176.111 175.112 0.999 1
1 863 . 15 1 1 A 84 84 GLU CA C 84 54.496 55.182 -0.686 1
1 864 . 15 1 1 A 84 84 GLU CB C 84 31.499 30.740 0.759 1
1 865 . 15 1 1 A 84 84 GLU N N 84 127.346 127.464 -0.118 1
1 866 . 15 1 1 A 85 85 PHE H H 85 9.087 9.235 -0.148 1
1 867 . 15 1 1 A 85 85 PHE HA H 85 4.817 5.043 -0.226 1
1 875 . 15 1 1 A 85 85 PHE C C 85 174.422 176.746 -2.324 1
1 876 . 15 1 1 A 85 85 PHE CA C 85 59.072 57.298 1.774 1
1 877 . 15 1 1 A 85 85 PHE CB C 85 40.765 41.240 -0.475 1
1 878 . 15 1 1 A 85 85 PHE N N 85 128.049 123.753 4.296 1
1 879 . 15 1 1 A 86 86 ALA H H 86 8.192 9.117 -0.925 1
1 880 . 15 1 1 A 86 86 ALA HA H 86 4.239 4.269 -0.030 1
1 884 . 15 1 1 A 86 86 ALA C C 86 178.143 177.737 0.406 1
1 885 . 15 1 1 A 86 86 ALA CA C 86 54.524 54.649 -0.125 1
1 886 . 15 1 1 A 86 86 ALA CB C 86 19.510 19.172 0.338 1
1 887 . 15 1 1 A 86 86 ALA N N 86 120.669 123.486 -2.817 1
1 888 . 15 1 1 A 87 87 GLU H H 87 8.455 8.220 0.235 1
1 889 . 15 1 1 A 87 87 GLU HA H 87 4.765 4.789 -0.024 1
1 893 . 15 1 1 A 87 87 GLU C C 87 176.472 177.082 -0.610 1
1 894 . 15 1 1 A 87 87 GLU CA C 87 54.353 54.793 -0.440 1
1 895 . 15 1 1 A 87 87 GLU CB C 87 32.624 32.479 0.145 1
1 897 . 15 1 1 A 87 87 GLU N N 87 114.204 116.822 -2.618 1
1 898 . 15 1 1 A 88 88 ARG H H 88 8.917 9.045 -0.128 1
1 899 . 15 1 1 A 88 88 ARG HA H 88 3.961 3.935 0.026 1
1 905 . 15 1 1 A 88 88 ARG C C 88 178.900 178.255 0.645 1
1 906 . 15 1 1 A 88 88 ARG CA C 88 59.548 59.911 -0.363 1
1 907 . 15 1 1 A 88 88 ARG CB C 88 30.073 29.811 0.262 1
1 910 . 15 1 1 A 88 88 ARG N N 88 121.592 123.968 -2.376 1
1 911 . 15 1 1 A 89 89 ASN H H 89 8.845 8.115 0.730 1
1 912 . 15 1 1 A 89 89 ASN HA H 89 4.497 4.411 0.086 1
1 916 . 15 1 1 A 89 89 ASN C C 89 177.179 177.921 -0.742 1
1 917 . 15 1 1 A 89 89 ASN CA C 89 55.861 56.104 -0.243 1
1 918 . 15 1 1 A 89 89 ASN CB C 89 37.330 37.828 -0.498 1
1 919 . 15 1 1 A 89 89 ASN N N 89 116.555 118.360 -1.805 1
1 921 . 15 1 1 A 90 90 SER H H 90 7.513 7.836 -0.323 1
1 922 . 15 1 1 A 90 90 SER HA H 90 4.006 4.016 -0.010 1
1 925 . 15 1 1 A 90 90 SER C C 90 174.511 175.858 -1.347 1
1 926 . 15 1 1 A 90 90 SER CA C 90 61.395 62.346 -0.951 1
1 927 . 15 1 1 A 90 90 SER CB C 90 63.424 62.788 0.636 1
1 928 . 15 1 1 A 90 90 SER N N 90 116.007 117.890 -1.883 1
1 929 . 15 1 1 A 91 91 VAL H H 91 7.653 7.300 0.353 1
1 930 . 15 1 1 A 91 91 VAL HA H 91 3.201 3.479 -0.278 1
1 938 . 15 1 1 A 91 91 VAL C C 91 176.991 177.695 -0.704 1
1 939 . 15 1 1 A 91 91 VAL CA C 91 66.851 65.371 1.480 1
1 940 . 15 1 1 A 91 91 VAL CB C 91 31.599 31.561 0.038 1
1 943 . 15 1 1 A 91 91 VAL N N 91 119.934 119.164 0.770 1
1 944 . 15 1 1 A 92 92 ASP H H 92 7.192 7.957 -0.765 1
1 945 . 15 1 1 A 92 92 ASP HA H 92 4.321 4.299 0.022 1
1 947 . 15 1 1 A 92 92 ASP C C 92 178.585 178.457 0.128 1
1 948 . 15 1 1 A 92 92 ASP CA C 92 57.401 57.281 0.120 1
1 949 . 15 1 1 A 92 92 ASP CB C 92 40.078 39.973 0.105 1
1 950 . 15 1 1 A 92 92 ASP N N 92 117.084 122.356 -5.272 1
1 951 . 15 1 1 A 93 93 ALA H H 93 6.946 7.669 -0.723 1
1 952 . 15 1 1 A 93 93 ALA HA H 93 4.186 4.158 0.028 1
1 956 . 15 1 1 A 93 93 ALA C C 93 179.272 179.808 -0.536 1
1 957 . 15 1 1 A 93 93 ALA CA C 93 54.445 54.691 -0.246 1
1 958 . 15 1 1 A 93 93 ALA CB C 93 18.164 18.245 -0.081 1
1 959 . 15 1 1 A 93 93 ALA N N 93 121.045 122.368 -1.323 1
1 960 . 15 1 1 A 94 94 ALA H H 94 8.033 7.882 0.151 1
1 961 . 15 1 1 A 94 94 ALA HA H 94 4.545 4.068 0.477 1
1 965 . 15 1 1 A 94 94 ALA C C 94 180.529 179.541 0.988 1
1 966 . 15 1 1 A 94 94 ALA CA C 94 55.518 55.093 0.425 1
1 967 . 15 1 1 A 94 94 ALA CB C 94 19.455 18.436 1.019 1
1 968 . 15 1 1 A 94 94 ALA N N 94 122.191 120.762 1.429 1
1 969 . 15 1 1 A 95 95 VAL H H 95 8.565 8.584 -0.019 1
1 970 . 15 1 1 A 95 95 VAL HA H 95 3.741 3.887 -0.146 1
1 978 . 15 1 1 A 95 95 VAL C C 95 178.767 178.005 0.762 1
1 979 . 15 1 1 A 95 95 VAL CA C 95 65.820 64.669 1.151 1
1 980 . 15 1 1 A 95 95 VAL CB C 95 31.501 31.485 0.016 1
1 983 . 15 1 1 A 95 95 VAL N N 95 117.405 116.446 0.959 1
1 984 . 15 1 1 A 96 96 ALA H H 96 7.354 8.094 -0.740 1
1 985 . 15 1 1 A 96 96 ALA HA H 96 4.403 4.203 0.200 1
1 989 . 15 1 1 A 96 96 ALA C C 96 178.242 178.380 -0.138 1
1 990 . 15 1 1 A 96 96 ALA CA C 96 53.916 54.173 -0.257 1
1 991 . 15 1 1 A 96 96 ALA CB C 96 17.841 18.280 -0.439 1
1 992 . 15 1 1 A 96 96 ALA N N 96 122.769 123.811 -1.042 1
1 993 . 15 1 1 A 97 97 MET H H 97 7.980 8.119 -0.139 1
1 994 . 15 1 1 A 97 97 MET HA H 97 4.471 4.765 -0.294 1
1 1002 . 15 1 1 A 97 97 MET C C 97 175.959 176.534 -0.575 1
1 1003 . 15 1 1 A 97 97 MET CA C 97 55.150 54.669 0.481 1
1 1004 . 15 1 1 A 97 97 MET CB C 97 31.663 32.359 -0.696 1
1 1007 . 15 1 1 A 97 97 MET N N 97 115.573 116.372 -0.799 1
1 1008 . 15 1 1 A 98 98 ASP H H 98 7.852 8.456 -0.604 1
1 1009 . 15 1 1 A 98 98 ASP HA H 98 4.422 4.464 -0.042 1
1 1012 . 15 1 1 A 98 98 ASP C C 98 175.976 176.507 -0.531 1
1 1013 . 15 1 1 A 98 98 ASP CA C 98 57.476 56.688 0.788 1
1 1014 . 15 1 1 A 98 98 ASP CB C 98 42.008 40.475 1.533 1
1 1015 . 15 1 1 A 98 98 ASP N N 98 121.576 120.042 1.534 1
1 1016 . 15 1 1 A 99 99 GLU H H 99 8.643 7.740 0.903 1
1 1017 . 15 1 1 A 99 99 GLU HA H 99 4.154 4.772 -0.618 1
1 1022 . 15 1 1 A 99 99 GLU C C 99 176.369 175.423 0.946 1
1 1023 . 15 1 1 A 99 99 GLU CA C 99 58.403 55.364 3.039 1
1 1024 . 15 1 1 A 99 99 GLU CB C 99 26.214 30.759 -4.545 1
1 1026 . 15 1 1 A 99 99 GLU N N 99 119.455 119.093 0.362 1
1 1027 . 15 1 1 A 100 100 THR H H 100 7.416 9.002 -1.586 1
1 1028 . 15 1 1 A 100 100 THR HA H 100 4.498 5.089 -0.591 1
1 1033 . 15 1 1 A 100 100 THR C C 100 172.876 172.126 0.750 1
1 1034 . 15 1 1 A 100 100 THR CA C 100 61.065 60.130 0.935 1
1 1035 . 15 1 1 A 100 100 THR CB C 100 72.140 72.158 -0.018 1
1 1037 . 15 1 1 A 100 100 THR N N 100 107.670 117.835 -10.165 1
1 1038 . 15 1 1 A 101 101 VAL H H 101 8.252 8.966 -0.714 1
1 1039 . 15 1 1 A 101 101 VAL HA H 101 4.638 5.164 -0.526 1
1 1047 . 15 1 1 A 101 101 VAL C C 101 176.138 173.749 2.389 1
1 1048 . 15 1 1 A 101 101 VAL CA C 101 62.299 60.614 1.685 1
1 1049 . 15 1 1 A 101 101 VAL CB C 101 32.215 33.297 -1.082 1
1 1052 . 15 1 1 A 101 101 VAL N N 101 118.227 122.197 -3.970 1
1 1053 . 15 1 1 A 102 102 PHE H H 102 9.300 8.861 0.439 1
1 1054 . 15 1 1 A 102 102 PHE HA H 102 4.671 4.787 -0.116 1
1 1061 . 15 1 1 A 102 102 PHE C C 102 174.216 175.183 -0.967 1
1 1062 . 15 1 1 A 102 102 PHE CA C 102 56.205 57.220 -1.015 1
1 1063 . 15 1 1 A 102 102 PHE CB C 102 41.707 41.486 0.221 1
1 1064 . 15 1 1 A 102 102 PHE N N 102 128.863 130.590 -1.727 1
1 1065 . 15 1 1 A 103 103 ARG H H 103 9.167 8.857 0.310 1
1 1066 . 15 1 1 A 103 103 ARG HA H 103 3.389 3.762 -0.373 1
1 1075 . 15 1 1 A 103 103 ARG C C 103 176.014 175.297 0.717 1
1 1076 . 15 1 1 A 103 103 ARG CA C 103 57.215 56.805 0.410 1
1 1077 . 15 1 1 A 103 103 ARG CB C 103 27.382 28.944 -1.562 1
1 1080 . 15 1 1 A 103 103 ARG N N 103 128.268 126.478 1.790 1
1 1082 . 15 1 1 A 104 104 GLY H H 104 8.005 8.636 -0.631 1
1 1083 . 15 1 1 A 104 104 GLY HA2 H 104 4.006 3.797 0.209 1
1 1084 . 15 1 1 A 104 104 GLY HA3 H 104 3.455 3.805 -0.350 1
1 1085 . 15 1 1 A 104 104 GLY C C 104 173.766 173.566 0.200 1
1 1086 . 15 1 1 A 104 104 GLY CA C 104 45.598 45.365 0.233 1
1 1087 . 15 1 1 A 104 104 GLY N N 104 101.324 104.824 -3.500 1
1 1088 . 15 1 1 A 105 105 ARG H H 105 7.681 7.486 0.195 1
1 1089 . 15 1 1 A 105 105 ARG HA H 105 4.735 4.857 -0.122 1
1 1097 . 15 1 1 A 105 105 ARG C C 105 174.543 174.709 -0.166 1
1 1098 . 15 1 1 A 105 105 ARG CA C 105 54.071 54.731 -0.660 1
1 1099 . 15 1 1 A 105 105 ARG CB C 105 33.159 32.660 0.499 1
1 1102 . 15 1 1 A 105 105 ARG N N 105 119.837 116.770 3.067 1
1 1104 . 15 1 1 A 106 106 THR H H 106 8.604 8.719 -0.115 1
1 1105 . 15 1 1 A 106 106 THR HA H 106 4.593 4.957 -0.364 1
1 1110 . 15 1 1 A 106 106 THR C C 106 175.643 174.424 1.219 1
1 1111 . 15 1 1 A 106 106 THR CA C 106 62.821 62.989 -0.168 1
1 1112 . 15 1 1 A 106 106 THR CB C 106 68.784 69.226 -0.442 1
1 1114 . 15 1 1 A 106 106 THR N N 106 118.251 118.089 0.162 1
1 1115 . 15 1 1 A 107 107 ILE H H 107 8.756 9.198 -0.442 1
1 1116 . 15 1 1 A 107 107 ILE HA H 107 4.884 5.034 -0.150 1
1 1126 . 15 1 1 A 107 107 ILE C C 107 174.877 174.282 0.595 1
1 1127 . 15 1 1 A 107 107 ILE CA C 107 60.834 59.172 1.662 1
1 1128 . 15 1 1 A 107 107 ILE CB C 107 40.644 40.406 0.238 1
1 1132 . 15 1 1 A 107 107 ILE N N 107 123.422 123.694 -0.272 1
1 1133 . 15 1 1 A 108 108 LYS H H 108 7.412 8.309 -0.897 1
1 1134 . 15 1 1 A 108 108 LYS HA H 108 5.524 5.691 -0.167 1
1 1141 . 15 1 1 A 108 108 LYS C C 108 175.839 174.034 1.805 1
1 1142 . 15 1 1 A 108 108 LYS CA C 108 52.172 54.873 -2.701 1
1 1143 . 15 1 1 A 108 108 LYS CB C 108 33.947 36.204 -2.257 1
1 1147 . 15 1 1 A 108 108 LYS N N 108 121.402 121.829 -0.427 1
1 1148 . 15 1 1 A 109 109 VAL H H 109 9.467 9.125 0.342 1
1 1149 . 15 1 1 A 109 109 VAL HA H 109 5.410 5.995 -0.585 1
1 1157 . 15 1 1 A 109 109 VAL C C 109 174.514 174.709 -0.195 1
1 1158 . 15 1 1 A 109 109 VAL CA C 109 61.258 60.285 0.973 1
1 1159 . 15 1 1 A 109 109 VAL CB C 109 34.289 34.821 -0.532 1
1 1162 . 15 1 1 A 109 109 VAL N N 109 125.530 125.264 0.266 1
1 1163 . 15 1 1 A 110 110 LEU H H 110 9.081 9.075 0.006 1
1 1164 . 15 1 1 A 110 110 LEU HA H 110 5.109 5.110 -0.001 1
1 1173 . 15 1 1 A 110 110 LEU CA C 110 51.660 51.002 0.658 1
1 1174 . 15 1 1 A 110 110 LEU CB C 110 46.037 44.755 1.282 1
1 1178 . 15 1 1 A 110 110 LEU N N 110 125.323 126.487 -1.164 1
1 1179 . 15 1 1 A 111 111 PRO HA H 111 4.539 4.705 -0.166 1
1 1186 . 15 1 1 A 111 111 PRO C C 111 176.222 177.085 -0.863 1
1 1187 . 15 1 1 A 111 111 PRO CA C 111 63.390 62.950 0.440 1
1 1188 . 15 1 1 A 111 111 PRO CB C 111 31.697 32.298 -0.601 1
1 1191 . 15 1 1 A 112 112 LYS H H 112 8.121 8.501 -0.380 1
1 1192 . 15 1 1 A 112 112 LYS HA H 112 4.113 4.641 -0.528 1
1 1199 . 15 1 1 A 112 112 LYS C C 112 175.830 176.350 -0.520 1
1 1200 . 15 1 1 A 112 112 LYS CA C 112 58.405 56.644 1.761 1
1 1201 . 15 1 1 A 112 112 LYS CB C 112 33.746 33.522 0.224 1
1 1204 . 15 1 1 A 112 112 LYS N N 112 124.317 122.565 1.752 1
1 1205 . 15 1 1 A 113 113 ARG H H 113 8.228 8.534 -0.306 1
1 1206 . 15 1 1 A 113 113 ARG HA H 113 4.451 4.842 -0.391 1
1 1211 . 15 1 1 A 113 113 ARG C C 113 175.758 174.719 1.039 1
1 1212 . 15 1 1 A 113 113 ARG CA C 113 55.468 55.006 0.462 1
1 1213 . 15 1 1 A 113 113 ARG CB C 113 31.550 32.856 -1.306 1
1 1215 . 15 1 1 A 113 113 ARG N N 113 121.228 120.388 0.840 1
1 1216 . 15 1 1 A 114 114 THR H H 114 8.138 8.515 -0.377 1
1 1217 . 15 1 1 A 114 114 THR HA H 114 4.264 3.896 0.368 1
1 1222 . 15 1 1 A 114 114 THR C C 114 174.043 172.756 1.287 1
1 1223 . 15 1 1 A 114 114 THR CA C 114 62.229 63.267 -1.038 1
1 1224 . 15 1 1 A 114 114 THR CB C 114 69.682 66.627 3.055 1
1 1226 . 15 1 1 A 114 114 THR N N 114 116.384 111.386 4.998 1
1 1227 . 15 1 1 A 115 115 ASN H H 115 8.406 8.204 0.202 1
1 1228 . 15 1 1 A 115 115 ASN HA H 115 4.682 5.004 -0.322 1
1 1233 . 15 1 1 A 115 115 ASN C C 115 174.513 173.948 0.565 1
1 1234 . 15 1 1 A 115 115 ASN CA C 115 53.242 52.413 0.829 1
1 1235 . 15 1 1 A 115 115 ASN CB C 115 38.888 39.994 -1.106 1
1 1236 . 15 1 1 A 115 115 ASN N N 115 120.871 120.016 0.855 1
1 1238 . 15 1 1 A 116 116 MET H H 116 8.138 8.752 -0.614 1
1 1239 . 15 1 1 A 116 116 MET CA C 116 53.400 52.212 1.188 1
1 1240 . 15 1 1 A 116 116 MET CB C 116 32.829 34.092 -1.263 1
1 1241 . 15 1 1 A 116 116 MET N N 116 121.611 126.440 -4.829 1
1 1242 . 15 1 1 A 117 117 PRO HA H 117 4.428 4.191 0.237 1
1 1245 . 15 1 1 A 117 117 PRO C C 117 175.935 176.949 -1.014 1
1 1246 . 15 1 1 A 117 117 PRO CA C 117 63.489 63.550 -0.061 1
1 1247 . 15 1 1 A 117 117 PRO CB C 117 32.105 31.597 0.508 1
1 1248 . 15 1 1 A 118 118 GLY H H 118 8.411 8.391 0.020 1
1 1249 . 15 1 1 A 118 118 GLY HA2 H 118 3.927 4.093 -0.166 1
1 1250 . 15 1 1 A 118 118 GLY HA3 H 118 4.389 4.094 0.295 1
1 1251 . 15 1 1 A 118 118 GLY C C 118 174.117 175.543 -1.426 1
1 1252 . 15 1 1 A 118 118 GLY CA C 118 45.470 45.465 0.005 1
1 1253 . 15 1 1 A 118 118 GLY N N 118 109.241 109.359 -0.118 1
1 1254 . 15 1 1 A 119 119 ILE H H 119 7.825 8.074 -0.249 1
1 1255 . 15 1 1 A 119 119 ILE HA H 119 4.234 3.804 0.430 1
1 1265 . 15 1 1 A 119 119 ILE C C 119 176.261 175.326 0.935 1
1 1266 . 15 1 1 A 119 119 ILE CA C 119 61.029 63.191 -2.162 1
1 1267 . 15 1 1 A 119 119 ILE CB C 119 38.878 36.084 2.794 1
1 1270 . 15 1 1 A 119 119 ILE N N 119 119.504 117.200 2.304 1
1 1271 . 15 1 1 A 120 120 SER H H 120 8.397 8.462 -0.065 1
1 1272 . 15 1 1 A 120 120 SER HA H 120 4.534 4.123 0.411 1
1 1274 . 15 1 1 A 120 120 SER C C 120 174.692 173.483 1.209 1
1 1275 . 15 1 1 A 120 120 SER CA C 120 58.150 58.868 -0.718 1
1 1276 . 15 1 1 A 120 120 SER CB C 120 63.997 61.366 2.631 1
1 1277 . 15 1 1 A 120 120 SER N N 120 119.359 114.166 5.193 1
1 1278 . 15 1 1 A 121 121 SER H H 121 8.371 8.240 0.131 1
1 1279 . 15 1 1 A 121 121 SER HA H 121 4.360 4.645 -0.285 1
1 1280 . 15 1 1 A 121 121 SER C C 121 174.809 174.051 0.758 1
1 1281 . 15 1 1 A 121 121 SER CA C 121 58.656 58.209 0.447 1
1 1282 . 15 1 1 A 121 121 SER CB C 121 63.795 63.101 0.694 1
1 1283 . 15 1 1 A 121 121 SER N N 121 118.036 116.168 1.868 1
1 1284 . 15 1 1 A 122 122 THR H H 122 8.100 8.350 -0.250 1
1 1285 . 15 1 1 A 122 122 THR C C 122 174.254 174.032 0.222 1
1 1286 . 15 1 1 A 122 122 THR CA C 122 61.829 63.008 -1.179 1
1 1287 . 15 1 1 A 122 122 THR CB C 122 69.537 69.068 0.469 1
1 1288 . 15 1 1 A 122 122 THR N N 122 114.163 121.535 -7.372 1
1 1289 . 15 1 1 A 123 123 ASP H H 123 8.197 7.745 0.452 1
1 1290 . 15 1 1 A 123 123 ASP HA H 123 4.641 4.342 0.299 1
1 1292 . 15 1 1 A 123 123 ASP C C 123 174.975 175.857 -0.882 1
1 1293 . 15 1 1 A 123 123 ASP CA C 123 54.542 54.977 -0.435 1
1 1294 . 15 1 1 A 123 123 ASP CB C 123 41.144 41.547 -0.403 1
1 1295 . 15 1 1 A 123 123 ASP N N 123 122.772 122.607 0.165 1
1 8 . 16 1 1 A 2 2 ILE H H 2 8.420 8.925 -0.505 1
1 9 . 16 1 1 A 2 2 ILE HA H 2 4.219 4.539 -0.320 1
1 11 . 16 1 1 A 2 2 ILE C C 2 175.424 175.035 0.389 1
1 12 . 16 1 1 A 2 2 ILE CA C 2 61.022 60.864 0.158 1
1 13 . 16 1 1 A 2 2 ILE CB C 2 38.918 37.195 1.723 1
1 14 . 16 1 1 A 2 2 ILE N N 2 120.314 123.488 -3.174 1
1 15 . 16 1 1 A 3 3 ALA H H 3 8.374 8.749 -0.375 1
1 16 . 16 1 1 A 3 3 ALA CA C 3 50.509 49.161 1.348 1
1 17 . 16 1 1 A 3 3 ALA CB C 3 18.608 22.080 -3.472 1
1 18 . 16 1 1 A 3 3 ALA N N 3 129.874 129.942 -0.068 1
1 19 . 16 1 1 A 4 4 PRO HA H 4 4.446 4.737 -0.291 1
1 22 . 16 1 1 A 4 4 PRO C C 4 176.949 176.240 0.709 1
1 23 . 16 1 1 A 4 4 PRO CA C 4 63.456 62.754 0.702 1
1 24 . 16 1 1 A 4 4 PRO CB C 4 32.203 31.480 0.723 1
1 25 . 16 1 1 A 5 5 CYS H H 5 8.347 8.486 -0.139 1
1 26 . 16 1 1 A 5 5 CYS HA H 5 4.492 5.084 -0.592 1
1 28 . 16 1 1 A 5 5 CYS C C 5 174.805 172.592 2.213 1
1 29 . 16 1 1 A 5 5 CYS CA C 5 58.495 57.067 1.428 1
1 30 . 16 1 1 A 5 5 CYS CB C 5 27.957 31.520 -3.563 1
1 31 . 16 1 1 A 5 5 CYS N N 5 118.477 117.046 1.431 1
1 32 . 16 1 1 A 6 6 MET H H 6 8.421 8.760 -0.339 1
1 33 . 16 1 1 A 6 6 MET HA H 6 4.534 5.048 -0.514 1
1 35 . 16 1 1 A 6 6 MET C C 6 176.132 174.246 1.886 1
1 36 . 16 1 1 A 6 6 MET CA C 6 55.629 54.444 1.185 1
1 37 . 16 1 1 A 6 6 MET CB C 6 33.048 34.602 -1.554 1
1 38 . 16 1 1 A 6 6 MET N N 6 122.952 121.535 1.417 1
1 39 . 16 1 1 A 7 7 GLN H H 7 8.313 9.109 -0.796 1
1 40 . 16 1 1 A 7 7 GLN HA H 7 4.435 5.059 -0.624 1
1 42 . 16 1 1 A 7 7 GLN C C 7 176.128 174.549 1.579 1
1 43 . 16 1 1 A 7 7 GLN CA C 7 56.109 54.534 1.575 1
1 44 . 16 1 1 A 7 7 GLN CB C 7 29.591 30.465 -0.874 1
1 45 . 16 1 1 A 7 7 GLN N N 7 121.379 122.855 -1.476 1
1 46 . 16 1 1 A 8 8 THR H H 8 8.195 8.882 -0.687 1
1 47 . 16 1 1 A 8 8 THR HA H 8 4.406 4.820 -0.414 1
1 49 . 16 1 1 A 8 8 THR C C 8 174.739 173.026 1.713 1
1 50 . 16 1 1 A 8 8 THR CA C 8 61.856 61.679 0.177 1
1 51 . 16 1 1 A 8 8 THR CB C 8 69.854 70.462 -0.608 1
1 52 . 16 1 1 A 8 8 THR N N 8 115.096 119.861 -4.765 1
1 53 . 16 1 1 A 9 9 THR H H 9 8.081 8.548 -0.467 1
1 54 . 16 1 1 A 9 9 THR HA H 9 4.335 4.878 -0.543 1
1 56 . 16 1 1 A 9 9 THR C C 9 174.407 172.992 1.415 1
1 57 . 16 1 1 A 9 9 THR CA C 9 61.896 59.979 1.917 1
1 58 . 16 1 1 A 9 9 THR CB C 9 69.811 69.076 0.735 1
1 59 . 16 1 1 A 9 9 THR N N 9 115.837 115.559 0.278 1
1 60 . 16 1 1 A 10 10 HIS H H 10 8.477 8.861 -0.384 1
1 61 . 16 1 1 A 10 10 HIS HA H 10 4.788 4.993 -0.205 1
1 64 . 16 1 1 A 10 10 HIS C C 10 174.571 174.553 0.018 1
1 65 . 16 1 1 A 10 10 HIS CA C 10 55.477 54.523 0.954 1
1 66 . 16 1 1 A 10 10 HIS CB C 10 29.291 30.697 -1.406 1
1 67 . 16 1 1 A 10 10 HIS N N 10 120.606 125.447 -4.841 1
1 68 . 16 1 1 A 11 11 SER H H 11 8.306 8.627 -0.321 1
1 69 . 16 1 1 A 11 11 SER HA H 11 4.448 4.759 -0.311 1
1 71 . 16 1 1 A 11 11 SER C C 11 174.512 173.372 1.140 1
1 72 . 16 1 1 A 11 11 SER CA C 11 58.557 57.410 1.147 1
1 73 . 16 1 1 A 11 11 SER CB C 11 63.943 64.935 -0.992 1
1 74 . 16 1 1 A 11 11 SER N N 11 117.043 115.057 1.986 1
1 75 . 16 1 1 A 12 12 LYS H H 12 8.402 7.726 0.676 1
1 76 . 16 1 1 A 12 12 LYS HA H 12 4.359 4.634 -0.275 1
1 79 . 16 1 1 A 12 12 LYS C C 12 176.592 175.877 0.715 1
1 80 . 16 1 1 A 12 12 LYS CA C 12 56.634 54.972 1.662 1
1 81 . 16 1 1 A 12 12 LYS CB C 12 33.127 31.949 1.178 1
1 82 . 16 1 1 A 12 12 LYS N N 12 123.023 121.674 1.349 1
1 83 . 16 1 1 A 13 13 MET H H 13 8.343 8.814 -0.471 1
1 84 . 16 1 1 A 13 13 MET HA H 13 4.530 4.709 -0.179 1
1 88 . 16 1 1 A 13 13 MET C C 13 176.373 175.865 0.508 1
1 89 . 16 1 1 A 13 13 MET CA C 13 55.680 56.978 -1.298 1
1 90 . 16 1 1 A 13 13 MET CB C 13 32.925 35.215 -2.290 1
1 91 . 16 1 1 A 13 13 MET N N 13 121.294 124.941 -3.647 1
1 92 . 16 1 1 A 14 14 THR H H 14 8.068 7.897 0.171 1
1 93 . 16 1 1 A 14 14 THR HA H 14 4.333 4.345 -0.012 1
1 97 . 16 1 1 A 14 14 THR C C 14 174.246 174.033 0.213 1
1 98 . 16 1 1 A 14 14 THR CA C 14 61.770 64.186 -2.416 1
1 99 . 16 1 1 A 14 14 THR CB C 14 69.894 69.109 0.785 1
1 100 . 16 1 1 A 14 14 THR N N 14 115.254 113.651 1.603 1
1 101 . 16 1 1 A 15 15 ALA H H 15 8.289 8.943 -0.654 1
1 102 . 16 1 1 A 15 15 ALA HA H 15 4.344 4.351 -0.007 1
1 106 . 16 1 1 A 15 15 ALA C C 15 178.080 177.253 0.827 1
1 107 . 16 1 1 A 15 15 ALA CA C 15 52.779 53.001 -0.222 1
1 108 . 16 1 1 A 15 15 ALA CB C 15 19.286 20.393 -1.107 1
1 109 . 16 1 1 A 15 15 ALA N N 15 126.372 127.944 -1.572 1
1 110 . 16 1 1 A 16 16 GLY H H 16 8.291 7.640 0.651 1
1 111 . 16 1 1 A 16 16 GLY HA2 H 16 3.913 4.276 -0.363 1
1 112 . 16 1 1 A 16 16 GLY C C 16 173.788 172.048 1.740 1
1 113 . 16 1 1 A 16 16 GLY CA C 16 45.298 46.412 -1.114 1
1 114 . 16 1 1 A 16 16 GLY N N 16 108.095 102.255 5.840 1
1 115 . 16 1 1 A 17 17 ALA H H 17 8.000 8.654 -0.654 1
1 116 . 16 1 1 A 17 17 ALA HA H 17 4.292 4.889 -0.597 1
1 120 . 16 1 1 A 17 17 ALA C C 17 177.366 175.420 1.946 1
1 121 . 16 1 1 A 17 17 ALA CA C 17 52.518 50.500 2.018 1
1 122 . 16 1 1 A 17 17 ALA CB C 17 19.577 20.970 -1.393 1
1 123 . 16 1 1 A 17 17 ALA N N 17 123.370 123.756 -0.386 1
1 124 . 16 1 1 A 18 18 TYR H H 18 8.135 8.911 -0.776 1
1 125 . 16 1 1 A 18 18 TYR HA H 18 4.640 5.343 -0.703 1
1 129 . 16 1 1 A 18 18 TYR C C 18 176.031 173.806 2.225 1
1 130 . 16 1 1 A 18 18 TYR CA C 18 57.973 56.440 1.533 1
1 131 . 16 1 1 A 18 18 TYR CB C 18 38.661 41.825 -3.164 1
1 132 . 16 1 1 A 18 18 TYR N N 18 119.212 120.967 -1.755 1
1 133 . 16 1 1 A 19 19 THR H H 19 7.912 8.440 -0.528 1
1 134 . 16 1 1 A 19 19 THR HA H 19 4.267 4.963 -0.696 1
1 139 . 16 1 1 A 19 19 THR C C 19 173.995 172.792 1.203 1
1 140 . 16 1 1 A 19 19 THR CA C 19 61.848 60.739 1.109 1
1 141 . 16 1 1 A 19 19 THR CB C 19 69.756 71.777 -2.021 1
1 142 . 16 1 1 A 19 19 THR N N 19 115.764 122.935 -7.171 1
1 143 . 16 1 1 A 20 20 GLU H H 20 8.077 8.449 -0.372 1
1 144 . 16 1 1 A 20 20 GLU HA H 20 4.301 4.834 -0.533 1
1 148 . 16 1 1 A 20 20 GLU C C 20 176.128 175.789 0.339 1
1 149 . 16 1 1 A 20 20 GLU CA C 20 56.312 54.592 1.720 1
1 150 . 16 1 1 A 20 20 GLU CB C 20 30.423 34.106 -3.683 1
1 152 . 16 1 1 A 20 20 GLU N N 20 122.553 122.265 0.288 1
1 153 . 16 1 1 A 21 21 GLY H H 21 7.966 8.487 -0.521 1
1 154 . 16 1 1 A 21 21 GLY HA2 H 21 3.903 4.039 -0.136 1
1 155 . 16 1 1 A 21 21 GLY CA C 21 44.257 45.408 -1.151 1
1 156 . 16 1 1 A 21 21 GLY N N 21 109.544 108.767 0.777 1
1 157 . 16 1 1 A 22 22 PRO HA H 22 4.232 4.291 -0.059 1
1 164 . 16 1 1 A 22 22 PRO CA C 22 61.109 64.970 -3.861 1
1 165 . 16 1 1 A 22 22 PRO CB C 22 30.711 31.273 -0.562 1
1 168 . 16 1 1 A 23 23 PRO HA H 23 4.363 4.781 -0.418 1
1 174 . 16 1 1 A 23 23 PRO C C 23 176.567 175.929 0.638 1
1 175 . 16 1 1 A 23 23 PRO CA C 23 62.733 62.652 0.081 1
1 176 . 16 1 1 A 23 23 PRO CB C 23 32.048 32.367 -0.319 1
1 179 . 16 1 1 A 24 24 GLN H H 24 8.286 8.351 -0.065 1
1 180 . 16 1 1 A 24 24 GLN HA H 24 4.479 4.750 -0.271 1
1 186 . 16 1 1 A 24 24 GLN CA C 24 53.763 52.377 1.386 1
1 187 . 16 1 1 A 24 24 GLN CB C 24 28.800 30.377 -1.577 1
1 189 . 16 1 1 A 24 24 GLN N N 24 121.215 121.249 -0.034 1
1 191 . 16 1 1 A 25 25 PRO HA H 25 4.389 4.806 -0.417 1
1 198 . 16 1 1 A 25 25 PRO C C 25 176.707 176.972 -0.265 1
1 199 . 16 1 1 A 25 25 PRO CA C 25 62.867 63.240 -0.373 1
1 200 . 16 1 1 A 25 25 PRO CB C 25 32.174 31.702 0.472 1
1 203 . 16 1 1 A 26 26 LEU H H 26 8.244 8.231 0.013 1
1 204 . 16 1 1 A 26 26 LEU HA H 26 4.405 4.437 -0.032 1
1 214 . 16 1 1 A 26 26 LEU C C 26 177.517 176.297 1.220 1
1 215 . 16 1 1 A 26 26 LEU CA C 26 54.643 53.755 0.888 1
1 216 . 16 1 1 A 26 26 LEU CB C 26 43.618 42.937 0.681 1
1 220 . 16 1 1 A 26 26 LEU N N 26 122.745 119.805 2.940 1
1 221 . 16 1 1 A 27 27 SER H H 27 8.758 8.588 0.170 1
1 222 . 16 1 1 A 27 27 SER HA H 27 4.474 4.487 -0.013 1
1 225 . 16 1 1 A 27 27 SER C C 27 174.789 175.502 -0.713 1
1 226 . 16 1 1 A 27 27 SER CA C 27 57.461 59.270 -1.809 1
1 227 . 16 1 1 A 27 27 SER CB C 27 65.280 63.596 1.684 1
1 228 . 16 1 1 A 27 27 SER N N 27 117.967 115.329 2.638 1
1 229 . 16 1 1 A 28 28 ALA H H 28 8.841 8.985 -0.144 1
1 230 . 16 1 1 A 28 28 ALA HA H 28 4.037 3.989 0.048 1
1 234 . 16 1 1 A 28 28 ALA CA C 28 55.346 55.483 -0.137 1
1 235 . 16 1 1 A 28 28 ALA CB C 28 18.347 18.196 0.151 1
1 236 . 16 1 1 A 28 28 ALA N N 28 124.144 126.914 -2.770 1
1 237 . 16 1 1 A 29 29 GLU H H 29 8.565 8.085 0.480 1
1 238 . 16 1 1 A 29 29 GLU HA H 29 4.026 4.048 -0.022 1
1 242 . 16 1 1 A 29 29 GLU C C 29 178.877 179.358 -0.481 1
1 243 . 16 1 1 A 29 29 GLU CA C 29 59.430 59.323 0.107 1
1 244 . 16 1 1 A 29 29 GLU CB C 29 29.244 29.176 0.068 1
1 246 . 16 1 1 A 29 29 GLU N N 29 117.527 117.784 -0.257 1
1 247 . 16 1 1 A 30 30 GLU H H 30 7.823 8.399 -0.576 1
1 248 . 16 1 1 A 30 30 GLU HA H 30 4.054 4.072 -0.018 1
1 253 . 16 1 1 A 30 30 GLU C C 30 179.191 178.773 0.418 1
1 254 . 16 1 1 A 30 30 GLU CA C 30 59.037 59.151 -0.114 1
1 255 . 16 1 1 A 30 30 GLU CB C 30 30.102 29.237 0.865 1
1 257 . 16 1 1 A 30 30 GLU N N 30 120.773 121.551 -0.778 1
1 258 . 16 1 1 A 31 31 LYS H H 31 8.246 7.618 0.628 1
1 259 . 16 1 1 A 31 31 LYS HA H 31 3.844 4.070 -0.226 1
1 266 . 16 1 1 A 31 31 LYS C C 31 177.968 179.583 -1.615 1
1 267 . 16 1 1 A 31 31 LYS CA C 31 59.889 59.660 0.229 1
1 268 . 16 1 1 A 31 31 LYS CB C 31 32.350 32.372 -0.022 1
1 272 . 16 1 1 A 31 31 LYS N N 31 119.315 119.892 -0.577 1
1 273 . 16 1 1 A 32 32 LYS H H 32 7.698 7.807 -0.109 1
1 274 . 16 1 1 A 32 32 LYS HA H 32 4.043 3.912 0.131 1
1 282 . 16 1 1 A 32 32 LYS C C 32 178.848 178.888 -0.040 1
1 283 . 16 1 1 A 32 32 LYS CA C 32 59.479 60.162 -0.683 1
1 284 . 16 1 1 A 32 32 LYS CB C 32 32.459 32.315 0.144 1
1 288 . 16 1 1 A 32 32 LYS N N 32 118.195 119.462 -1.267 1
1 289 . 16 1 1 A 33 33 GLU H H 33 7.512 8.025 -0.513 1
1 290 . 16 1 1 A 33 33 GLU HA H 33 4.031 4.147 -0.116 1
1 295 . 16 1 1 A 33 33 GLU C C 33 178.989 178.853 0.136 1
1 296 . 16 1 1 A 33 33 GLU CA C 33 59.157 58.914 0.243 1
1 297 . 16 1 1 A 33 33 GLU CB C 33 29.220 29.611 -0.391 1
1 299 . 16 1 1 A 33 33 GLU N N 33 118.459 119.262 -0.803 1
1 300 . 16 1 1 A 34 34 ILE H H 34 7.912 7.902 0.010 1
1 301 . 16 1 1 A 34 34 ILE HA H 34 3.503 3.846 -0.343 1
1 311 . 16 1 1 A 34 34 ILE C C 34 180.639 177.737 2.902 1
1 312 . 16 1 1 A 34 34 ILE CA C 34 65.305 64.015 1.290 1
1 313 . 16 1 1 A 34 34 ILE CB C 34 38.540 37.500 1.040 1
1 317 . 16 1 1 A 34 34 ILE N N 34 120.176 119.890 0.286 1
1 318 . 16 1 1 A 35 35 ASP H H 35 8.457 8.466 -0.009 1
1 319 . 16 1 1 A 35 35 ASP HA H 35 4.145 4.362 -0.217 1
1 322 . 16 1 1 A 35 35 ASP C C 35 178.790 178.408 0.382 1
1 323 . 16 1 1 A 35 35 ASP CA C 35 58.322 57.291 1.031 1
1 324 . 16 1 1 A 35 35 ASP CB C 35 39.538 41.253 -1.715 1
1 325 . 16 1 1 A 35 35 ASP N N 35 123.589 121.683 1.906 1
1 326 . 16 1 1 A 36 36 LYS H H 36 7.573 7.451 0.122 1
1 327 . 16 1 1 A 36 36 LYS HA H 36 4.187 4.110 0.077 1
1 334 . 16 1 1 A 36 36 LYS C C 36 176.400 177.659 -1.259 1
1 335 . 16 1 1 A 36 36 LYS CA C 36 58.656 59.147 -0.491 1
1 336 . 16 1 1 A 36 36 LYS CB C 36 32.991 32.132 0.859 1
1 340 . 16 1 1 A 36 36 LYS N N 36 117.506 118.671 -1.165 1
1 341 . 16 1 1 A 37 37 ARG H H 37 7.397 7.565 -0.168 1
1 342 . 16 1 1 A 37 37 ARG HA H 37 4.658 4.628 0.030 1
1 348 . 16 1 1 A 37 37 ARG C C 37 174.361 175.480 -1.119 1
1 349 . 16 1 1 A 37 37 ARG CA C 37 55.793 55.285 0.508 1
1 350 . 16 1 1 A 37 37 ARG CB C 37 31.260 30.686 0.574 1
1 353 . 16 1 1 A 37 37 ARG N N 37 115.182 117.020 -1.838 1
1 354 . 16 1 1 A 38 38 SER H H 38 7.416 7.556 -0.140 1
1 355 . 16 1 1 A 38 38 SER HA H 38 6.346 4.945 1.401 1
1 358 . 16 1 1 A 38 38 SER C C 38 173.807 173.627 0.180 1
1 359 . 16 1 1 A 38 38 SER CA C 38 57.574 57.247 0.327 1
1 360 . 16 1 1 A 38 38 SER CB C 38 67.003 64.881 2.122 1
1 361 . 16 1 1 A 38 38 SER N N 38 112.872 116.498 -3.626 1
1 362 . 16 1 1 A 39 39 VAL H H 39 8.812 8.740 0.072 1
1 363 . 16 1 1 A 39 39 VAL HA H 39 5.117 4.948 0.169 1
1 371 . 16 1 1 A 39 39 VAL C C 39 174.519 173.577 0.942 1
1 372 . 16 1 1 A 39 39 VAL CA C 39 59.085 60.637 -1.552 1
1 373 . 16 1 1 A 39 39 VAL CB C 39 34.476 35.939 -1.463 1
1 376 . 16 1 1 A 39 39 VAL N N 39 111.961 124.794 -12.833 1
1 377 . 16 1 1 A 40 40 TYR H H 40 9.366 9.333 0.033 1
1 378 . 16 1 1 A 40 40 TYR HA H 40 5.108 4.547 0.561 1
1 385 . 16 1 1 A 40 40 TYR C C 40 172.976 173.931 -0.955 1
1 386 . 16 1 1 A 40 40 TYR CA C 40 56.633 56.274 0.359 1
1 387 . 16 1 1 A 40 40 TYR CB C 40 41.058 40.251 0.807 1
1 390 . 16 1 1 A 40 40 TYR N N 40 123.743 127.504 -3.761 1
1 391 . 16 1 1 A 41 41 VAL H H 41 8.734 8.805 -0.071 1
1 392 . 16 1 1 A 41 41 VAL HA H 41 4.876 4.682 0.194 1
1 400 . 16 1 1 A 41 41 VAL C C 41 174.651 174.955 -0.304 1
1 401 . 16 1 1 A 41 41 VAL CA C 41 59.798 60.570 -0.772 1
1 402 . 16 1 1 A 41 41 VAL CB C 41 33.329 32.910 0.419 1
1 405 . 16 1 1 A 41 41 VAL N N 41 127.436 127.136 0.300 1
1 406 . 16 1 1 A 42 42 GLY H H 42 9.669 8.899 0.770 1
1 407 . 16 1 1 A 42 42 GLY HA2 H 42 3.612 3.940 -0.328 1
1 408 . 16 1 1 A 42 42 GLY HA3 H 42 4.392 4.112 0.280 1
1 409 . 16 1 1 A 42 42 GLY C C 42 173.639 174.461 -0.822 1
1 410 . 16 1 1 A 42 42 GLY CA C 42 44.169 43.630 0.539 1
1 411 . 16 1 1 A 42 42 GLY N N 42 113.263 115.091 -1.828 1
1 412 . 16 1 1 A 43 43 ASN H H 43 8.412 8.676 -0.264 1
1 413 . 16 1 1 A 43 43 ASN HA H 43 4.510 4.342 0.168 1
1 418 . 16 1 1 A 43 43 ASN C C 43 174.364 175.250 -0.886 1
1 419 . 16 1 1 A 43 43 ASN CA C 43 53.557 53.924 -0.367 1
1 420 . 16 1 1 A 43 43 ASN CB C 43 37.283 37.654 -0.371 1
1 421 . 16 1 1 A 43 43 ASN N N 43 115.451 119.403 -3.952 1
1 423 . 16 1 1 A 44 44 VAL H H 44 7.083 7.385 -0.302 1
1 424 . 16 1 1 A 44 44 VAL HA H 44 3.975 3.979 -0.004 1
1 432 . 16 1 1 A 44 44 VAL C C 44 175.885 174.667 1.218 1
1 433 . 16 1 1 A 44 44 VAL CA C 44 61.614 62.676 -1.062 1
1 434 . 16 1 1 A 44 44 VAL CB C 44 32.914 33.065 -0.151 1
1 437 . 16 1 1 A 44 44 VAL N N 44 115.399 119.939 -4.540 1
1 438 . 16 1 1 A 45 45 ASP H H 45 8.305 8.579 -0.274 1
1 439 . 16 1 1 A 45 45 ASP HA H 45 4.467 4.751 -0.284 1
1 442 . 16 1 1 A 45 45 ASP C C 45 177.205 175.391 1.814 1
1 443 . 16 1 1 A 45 45 ASP CA C 45 54.613 54.726 -0.113 1
1 444 . 16 1 1 A 45 45 ASP CB C 45 43.657 41.986 1.671 1
1 445 . 16 1 1 A 45 45 ASP N N 45 124.440 127.733 -3.293 1
1 446 . 16 1 1 A 46 46 TYR H H 46 8.715 8.635 0.080 1
1 447 . 16 1 1 A 46 46 TYR HA H 46 4.483 4.498 -0.015 1
1 454 . 16 1 1 A 46 46 TYR C C 46 175.453 176.558 -1.105 1
1 455 . 16 1 1 A 46 46 TYR CA C 46 59.464 58.392 1.072 1
1 456 . 16 1 1 A 46 46 TYR CB C 46 38.753 38.396 0.357 1
1 458 . 16 1 1 A 46 46 TYR N N 46 125.588 126.548 -0.960 1
1 459 . 16 1 1 A 47 47 GLY H H 47 8.387 8.233 0.154 1
1 460 . 16 1 1 A 47 47 GLY HA2 H 47 3.561 4.081 -0.520 1
1 461 . 16 1 1 A 47 47 GLY HA3 H 47 4.348 4.104 0.244 1
1 462 . 16 1 1 A 47 47 GLY C C 47 173.578 174.826 -1.248 1
1 463 . 16 1 1 A 47 47 GLY CA C 47 44.965 45.530 -0.565 1
1 464 . 16 1 1 A 47 47 GLY N N 47 106.974 114.009 -7.035 1
1 465 . 16 1 1 A 48 48 SER H H 48 7.417 8.282 -0.865 1
1 466 . 16 1 1 A 48 48 SER HA H 48 4.428 4.647 -0.219 1
1 468 . 16 1 1 A 48 48 SER C C 48 173.220 173.886 -0.666 1
1 469 . 16 1 1 A 48 48 SER CA C 48 59.892 57.175 2.717 1
1 470 . 16 1 1 A 48 48 SER CB C 48 64.519 62.025 2.494 1
1 471 . 16 1 1 A 48 48 SER N N 48 115.423 118.431 -3.008 1
1 472 . 16 1 1 A 49 49 THR H H 49 8.474 8.171 0.303 1
1 473 . 16 1 1 A 49 49 THR HA H 49 4.660 4.464 0.196 1
1 478 . 16 1 1 A 49 49 THR C C 49 175.940 175.797 0.143 1
1 479 . 16 1 1 A 49 49 THR CA C 49 58.831 61.244 -2.413 1
1 480 . 16 1 1 A 49 49 THR CB C 49 72.585 70.903 1.682 1
1 482 . 16 1 1 A 49 49 THR N N 49 112.103 118.493 -6.390 1
1 483 . 16 1 1 A 50 50 ALA H H 50 9.723 8.894 0.829 1
1 484 . 16 1 1 A 50 50 ALA HA H 50 3.923 4.006 -0.083 1
1 488 . 16 1 1 A 50 50 ALA C C 50 179.045 179.886 -0.841 1
1 489 . 16 1 1 A 50 50 ALA CA C 50 55.643 55.537 0.106 1
1 490 . 16 1 1 A 50 50 ALA CB C 50 18.259 18.094 0.165 1
1 491 . 16 1 1 A 50 50 ALA N N 50 123.988 123.848 0.140 1
1 492 . 16 1 1 A 51 51 GLN H H 51 7.730 8.307 -0.577 1
1 493 . 16 1 1 A 51 51 GLN HA H 51 3.940 4.335 -0.395 1
1 500 . 16 1 1 A 51 51 GLN C C 51 178.215 178.375 -0.160 1
1 501 . 16 1 1 A 51 51 GLN CA C 51 59.096 58.853 0.243 1
1 502 . 16 1 1 A 51 51 GLN CB C 51 28.508 28.492 0.016 1
1 504 . 16 1 1 A 51 51 GLN N N 51 116.375 117.741 -1.366 1
1 505 . 16 1 1 A 52 52 ASP H H 52 8.273 7.807 0.466 1
1 506 . 16 1 1 A 52 52 ASP HA H 52 4.587 4.495 0.092 1
1 507 . 16 1 1 A 52 52 ASP C C 52 179.837 178.641 1.196 1
1 508 . 16 1 1 A 52 52 ASP CA C 52 57.556 57.429 0.127 1
1 509 . 16 1 1 A 52 52 ASP CB C 52 41.057 41.072 -0.015 1
1 510 . 16 1 1 A 52 52 ASP N N 52 120.755 119.263 1.492 1
1 511 . 16 1 1 A 53 53 LEU H H 53 7.855 8.249 -0.394 1
1 512 . 16 1 1 A 53 53 LEU HA H 53 3.933 4.196 -0.263 1
1 522 . 16 1 1 A 53 53 LEU C C 53 178.463 179.045 -0.582 1
1 523 . 16 1 1 A 53 53 LEU CA C 53 58.367 58.172 0.195 1
1 524 . 16 1 1 A 53 53 LEU CB C 53 42.646 41.331 1.315 1
1 528 . 16 1 1 A 53 53 LEU N N 53 122.035 120.230 1.805 1
1 529 . 16 1 1 A 54 54 GLU H H 54 8.804 9.131 -0.327 1
1 530 . 16 1 1 A 54 54 GLU HA H 54 3.745 4.058 -0.313 1
1 534 . 16 1 1 A 54 54 GLU C C 54 178.467 178.987 -0.520 1
1 535 . 16 1 1 A 54 54 GLU CA C 54 59.833 59.216 0.617 1
1 536 . 16 1 1 A 54 54 GLU CB C 54 29.238 29.575 -0.337 1
1 538 . 16 1 1 A 54 54 GLU N N 54 120.472 118.774 1.698 1
1 539 . 16 1 1 A 55 55 ALA H H 55 8.098 8.026 0.072 1
1 540 . 16 1 1 A 55 55 ALA HA H 55 4.249 4.232 0.017 1
1 544 . 16 1 1 A 55 55 ALA C C 55 180.711 180.032 0.679 1
1 545 . 16 1 1 A 55 55 ALA CA C 55 55.077 55.129 -0.052 1
1 546 . 16 1 1 A 55 55 ALA CB C 55 18.164 18.737 -0.573 1
1 547 . 16 1 1 A 55 55 ALA N N 55 119.302 122.345 -3.043 1
1 548 . 16 1 1 A 56 56 HIS H H 56 7.927 7.724 0.203 1
1 549 . 16 1 1 A 56 56 HIS HA H 56 4.281 4.295 -0.014 1
1 553 . 16 1 1 A 56 56 HIS C C 56 176.342 177.158 -0.816 1
1 554 . 16 1 1 A 56 56 HIS CA C 56 59.362 59.265 0.097 1
1 555 . 16 1 1 A 56 56 HIS CB C 56 31.200 29.491 1.709 1
1 556 . 16 1 1 A 56 56 HIS N N 56 117.016 118.195 -1.179 1
1 557 . 16 1 1 A 57 57 PHE H H 57 7.811 8.325 -0.514 1
1 558 . 16 1 1 A 57 57 PHE HA H 57 4.554 4.365 0.189 1
1 565 . 16 1 1 A 57 57 PHE C C 57 177.301 177.997 -0.696 1
1 566 . 16 1 1 A 57 57 PHE CA C 57 59.480 61.823 -2.343 1
1 567 . 16 1 1 A 57 57 PHE CB C 57 40.432 38.870 1.562 1
1 571 . 16 1 1 A 57 57 PHE N N 57 111.423 115.470 -4.047 1
1 572 . 16 1 1 A 58 58 SER H H 58 8.126 8.468 -0.342 1
1 573 . 16 1 1 A 58 58 SER HA H 58 4.468 4.721 -0.253 1
1 575 . 16 1 1 A 58 58 SER C C 58 176.676 177.164 -0.488 1
1 576 . 16 1 1 A 58 58 SER CA C 58 62.159 61.333 0.826 1
1 577 . 16 1 1 A 58 58 SER N N 58 118.439 116.346 2.093 1
1 578 . 16 1 1 A 59 59 SER H H 59 8.422 7.700 0.722 1
1 579 . 16 1 1 A 59 59 SER HA H 59 4.291 4.279 0.012 1
1 581 . 16 1 1 A 59 59 SER C C 59 175.955 175.036 0.919 1
1 582 . 16 1 1 A 59 59 SER CA C 59 60.277 61.355 -1.078 1
1 583 . 16 1 1 A 59 59 SER CB C 59 62.444 63.090 -0.646 1
1 584 . 16 1 1 A 59 59 SER N N 59 116.618 116.670 -0.052 1
1 585 . 16 1 1 A 60 60 CYS H H 60 8.226 7.948 0.278 1
1 586 . 16 1 1 A 60 60 CYS HA H 60 4.067 4.469 -0.402 1
1 589 . 16 1 1 A 60 60 CYS C C 60 174.682 174.448 0.234 1
1 590 . 16 1 1 A 60 60 CYS CA C 60 60.683 59.452 1.231 1
1 591 . 16 1 1 A 60 60 CYS CB C 60 28.894 28.497 0.397 1
1 592 . 16 1 1 A 60 60 CYS N N 60 118.900 117.405 1.495 1
1 593 . 16 1 1 A 61 61 GLY H H 61 7.414 7.400 0.014 1
1 594 . 16 1 1 A 61 61 GLY HA2 H 61 3.887 4.017 -0.130 1
1 595 . 16 1 1 A 61 61 GLY HA3 H 61 4.489 4.108 0.381 1
1 596 . 16 1 1 A 61 61 GLY C C 61 171.619 172.369 -0.750 1
1 597 . 16 1 1 A 61 61 GLY CA C 61 44.000 45.263 -1.263 1
1 598 . 16 1 1 A 61 61 GLY N N 61 106.320 108.653 -2.333 1
1 599 . 16 1 1 A 62 62 SER H H 62 8.182 8.539 -0.357 1
1 600 . 16 1 1 A 62 62 SER HA H 62 4.420 5.322 -0.902 1
1 603 . 16 1 1 A 62 62 SER C C 62 175.295 173.846 1.449 1
1 604 . 16 1 1 A 62 62 SER CA C 62 59.839 57.854 1.985 1
1 605 . 16 1 1 A 62 62 SER CB C 62 63.617 64.689 -1.072 1
1 606 . 16 1 1 A 62 62 SER N N 62 112.485 117.360 -4.875 1
1 607 . 16 1 1 A 63 63 ILE H H 63 8.857 9.126 -0.269 1
1 608 . 16 1 1 A 63 63 ILE HA H 63 4.007 3.994 0.013 1
1 618 . 16 1 1 A 63 63 ILE C C 63 175.045 175.450 -0.405 1
1 619 . 16 1 1 A 63 63 ILE CA C 63 61.979 61.401 0.578 1
1 620 . 16 1 1 A 63 63 ILE CB C 63 41.048 38.053 2.995 1
1 624 . 16 1 1 A 63 63 ILE N N 63 127.966 126.717 1.249 1
1 625 . 16 1 1 A 64 64 ASN H H 64 8.897 9.196 -0.299 1
1 626 . 16 1 1 A 64 64 ASN HA H 64 4.667 4.977 -0.310 1
1 631 . 16 1 1 A 64 64 ASN C C 64 174.686 175.425 -0.739 1
1 632 . 16 1 1 A 64 64 ASN CA C 64 53.627 54.688 -1.061 1
1 633 . 16 1 1 A 64 64 ASN CB C 64 40.062 40.291 -0.229 1
1 634 . 16 1 1 A 64 64 ASN N N 64 124.997 125.635 -0.638 1
1 636 . 16 1 1 A 65 65 ARG H H 65 7.419 7.291 0.128 1
1 637 . 16 1 1 A 65 65 ARG HA H 65 5.155 4.795 0.360 1
1 645 . 16 1 1 A 65 65 ARG C C 65 173.788 173.979 -0.191 1
1 646 . 16 1 1 A 65 65 ARG CA C 65 55.703 54.817 0.886 1
1 647 . 16 1 1 A 65 65 ARG CB C 65 35.408 34.743 0.665 1
1 650 . 16 1 1 A 65 65 ARG N N 65 116.737 116.602 0.135 1
1 652 . 16 1 1 A 66 66 ILE H H 66 8.681 8.702 -0.021 1
1 653 . 16 1 1 A 66 66 ILE HA H 66 4.574 4.779 -0.205 1
1 663 . 16 1 1 A 66 66 ILE C C 66 173.717 173.574 0.143 1
1 664 . 16 1 1 A 66 66 ILE CA C 66 61.049 59.997 1.052 1
1 665 . 16 1 1 A 66 66 ILE CB C 66 42.988 41.555 1.433 1
1 669 . 16 1 1 A 66 66 ILE N N 66 123.359 122.331 1.028 1
1 670 . 16 1 1 A 67 67 THR H H 67 8.861 8.671 0.190 1
1 671 . 16 1 1 A 67 67 THR HA H 67 5.378 5.151 0.227 1
1 676 . 16 1 1 A 67 67 THR C C 67 173.526 173.540 -0.014 1
1 677 . 16 1 1 A 67 67 THR CA C 67 61.112 61.752 -0.640 1
1 678 . 16 1 1 A 67 67 THR CB C 67 70.857 70.435 0.422 1
1 680 . 16 1 1 A 67 67 THR N N 67 124.375 123.938 0.437 1
1 681 . 16 1 1 A 68 68 ILE H H 68 9.768 9.206 0.562 1
1 682 . 16 1 1 A 68 68 ILE HA H 68 4.333 4.816 -0.483 1
1 692 . 16 1 1 A 68 68 ILE C C 68 173.743 175.149 -1.406 1
1 693 . 16 1 1 A 68 68 ILE CA C 68 61.237 60.144 1.093 1
1 694 . 16 1 1 A 68 68 ILE CB C 68 40.908 40.558 0.350 1
1 698 . 16 1 1 A 68 68 ILE N N 68 127.340 128.253 -0.913 1
1 699 . 16 1 1 A 69 69 LEU H H 69 9.045 9.443 -0.398 1
1 700 . 16 1 1 A 69 69 LEU HA H 69 5.074 5.231 -0.157 1
1 710 . 16 1 1 A 69 69 LEU C C 69 175.502 175.389 0.113 1
1 711 . 16 1 1 A 69 69 LEU CA C 69 55.186 53.152 2.034 1
1 712 . 16 1 1 A 69 69 LEU CB C 69 42.702 44.922 -2.220 1
1 716 . 16 1 1 A 69 69 LEU N N 69 128.686 125.436 3.250 1
1 717 . 16 1 1 A 70 70 CYS H H 70 8.767 8.972 -0.205 1
1 718 . 16 1 1 A 70 70 CYS HA H 70 5.237 5.748 -0.511 1
1 720 . 16 1 1 A 70 70 CYS C C 70 173.558 172.357 1.201 1
1 721 . 16 1 1 A 70 70 CYS CA C 70 57.609 56.845 0.764 1
1 722 . 16 1 1 A 70 70 CYS CB C 70 29.830 28.964 0.866 1
1 723 . 16 1 1 A 70 70 CYS N N 70 120.856 121.718 -0.862 1
1 724 . 16 1 1 A 71 71 ASP H H 71 9.109 8.918 0.191 1
1 725 . 16 1 1 A 71 71 ASP HA H 71 5.193 5.226 -0.033 1
1 728 . 16 1 1 A 71 71 ASP C C 71 175.440 175.811 -0.371 1
1 729 . 16 1 1 A 71 71 ASP CA C 71 53.705 52.657 1.048 1
1 730 . 16 1 1 A 71 71 ASP CB C 71 44.774 43.114 1.660 1
1 731 . 16 1 1 A 71 71 ASP N N 71 124.936 126.517 -1.581 1
1 732 . 16 1 1 A 72 72 LYS H H 72 8.262 8.784 -0.522 1
1 733 . 16 1 1 A 72 72 LYS HA H 72 4.553 4.575 -0.022 1
1 740 . 16 1 1 A 72 72 LYS C C 72 177.732 177.291 0.441 1
1 741 . 16 1 1 A 72 72 LYS CA C 72 55.608 55.692 -0.084 1
1 742 . 16 1 1 A 72 72 LYS CB C 72 32.469 32.946 -0.477 1
1 745 . 16 1 1 A 72 72 LYS N N 72 120.339 127.966 -7.627 1
1 746 . 16 1 1 A 73 73 PHE H H 73 8.663 8.133 0.530 1
1 747 . 16 1 1 A 73 73 PHE HA H 73 4.357 4.370 -0.013 1
1 752 . 16 1 1 A 73 73 PHE C C 73 177.148 176.606 0.542 1
1 753 . 16 1 1 A 73 73 PHE CA C 73 60.214 59.961 0.253 1
1 754 . 16 1 1 A 73 73 PHE CB C 73 39.157 37.703 1.454 1
1 756 . 16 1 1 A 73 73 PHE N N 73 121.961 119.226 2.735 1
1 757 . 16 1 1 A 74 74 SER H H 74 8.780 7.607 1.173 1
1 758 . 16 1 1 A 74 74 SER HA H 74 4.353 4.747 -0.394 1
1 760 . 16 1 1 A 74 74 SER C C 74 174.810 174.730 0.080 1
1 761 . 16 1 1 A 74 74 SER CA C 74 58.965 58.257 0.708 1
1 762 . 16 1 1 A 74 74 SER CB C 74 63.650 63.440 0.210 1
1 763 . 16 1 1 A 74 74 SER N N 74 114.021 114.749 -0.728 1
1 764 . 16 1 1 A 75 75 GLY H H 75 8.004 8.305 -0.301 1
1 765 . 16 1 1 A 75 75 GLY HA2 H 75 3.635 3.846 -0.211 1
1 766 . 16 1 1 A 75 75 GLY HA3 H 75 4.221 3.902 0.319 1
1 767 . 16 1 1 A 75 75 GLY C C 75 173.254 174.247 -0.993 1
1 768 . 16 1 1 A 75 75 GLY CA C 75 45.162 45.378 -0.216 1
1 769 . 16 1 1 A 75 75 GLY N N 75 108.714 110.052 -1.338 1
1 770 . 16 1 1 A 76 76 HIS H H 76 7.670 7.767 -0.097 1
1 771 . 16 1 1 A 76 76 HIS HA H 76 5.020 4.693 0.327 1
1 775 . 16 1 1 A 76 76 HIS CA C 76 52.522 54.237 -1.715 1
1 776 . 16 1 1 A 76 76 HIS CB C 76 29.410 30.113 -0.703 1
1 777 . 16 1 1 A 76 76 HIS N N 76 118.164 119.342 -1.178 1
1 778 . 16 1 1 A 77 77 PRO HA H 77 4.551 4.651 -0.100 1
1 784 . 16 1 1 A 77 77 PRO C C 77 176.458 176.820 -0.362 1
1 785 . 16 1 1 A 77 77 PRO CA C 77 63.263 62.881 0.382 1
1 786 . 16 1 1 A 77 77 PRO CB C 77 32.077 31.977 0.100 1
1 789 . 16 1 1 A 78 78 LYS H H 78 8.846 9.308 -0.462 1
1 790 . 16 1 1 A 78 78 LYS HA H 78 4.772 4.738 0.034 1
1 796 . 16 1 1 A 78 78 LYS CA C 78 55.964 55.421 0.543 1
1 797 . 16 1 1 A 78 78 LYS CB C 78 35.816 34.295 1.521 1
1 799 . 16 1 1 A 78 78 LYS N N 78 124.197 121.888 2.309 1
1 800 . 16 1 1 A 79 79 GLY H H 79 8.352 8.392 -0.040 1
1 801 . 16 1 1 A 79 79 GLY HA2 H 79 3.871 4.217 -0.346 1
1 802 . 16 1 1 A 79 79 GLY HA3 H 79 5.451 4.252 1.199 1
1 803 . 16 1 1 A 79 79 GLY C C 79 173.400 172.021 1.379 1
1 804 . 16 1 1 A 79 79 GLY CA C 79 45.189 45.511 -0.322 1
1 805 . 16 1 1 A 79 79 GLY N N 79 109.568 108.199 1.369 1
1 806 . 16 1 1 A 80 80 TYR H H 80 8.856 9.084 -0.228 1
1 807 . 16 1 1 A 80 80 TYR HA H 80 4.940 5.281 -0.341 1
1 814 . 16 1 1 A 80 80 TYR C C 80 171.720 172.725 -1.005 1
1 815 . 16 1 1 A 80 80 TYR CA C 80 56.267 56.195 0.072 1
1 816 . 16 1 1 A 80 80 TYR CB C 80 40.003 41.814 -1.811 1
1 818 . 16 1 1 A 80 80 TYR N N 80 120.052 117.866 2.186 1
1 819 . 16 1 1 A 81 81 ALA H H 81 9.215 8.994 0.221 1
1 820 . 16 1 1 A 81 81 ALA HA H 81 5.386 5.654 -0.268 1
1 824 . 16 1 1 A 81 81 ALA C C 81 175.357 175.027 0.330 1
1 825 . 16 1 1 A 81 81 ALA CA C 81 50.089 50.282 -0.193 1
1 826 . 16 1 1 A 81 81 ALA CB C 81 24.030 23.286 0.744 1
1 827 . 16 1 1 A 81 81 ALA N N 81 120.138 122.476 -2.338 1
1 828 . 16 1 1 A 82 82 TYR H H 82 8.974 9.036 -0.062 1
1 829 . 16 1 1 A 82 82 TYR HA H 82 5.885 5.504 0.381 1
1 836 . 16 1 1 A 82 82 TYR C C 82 176.232 174.307 1.925 1
1 837 . 16 1 1 A 82 82 TYR CA C 82 55.626 56.849 -1.223 1
1 838 . 16 1 1 A 82 82 TYR CB C 82 41.536 40.831 0.705 1
1 839 . 16 1 1 A 82 82 TYR N N 82 114.621 118.751 -4.130 1
1 840 . 16 1 1 A 83 83 ILE H H 83 8.644 8.544 0.100 1
1 841 . 16 1 1 A 83 83 ILE HA H 83 4.275 4.706 -0.431 1
1 851 . 16 1 1 A 83 83 ILE C C 83 173.516 174.689 -1.173 1
1 852 . 16 1 1 A 83 83 ILE CA C 83 60.345 59.752 0.593 1
1 853 . 16 1 1 A 83 83 ILE CB C 83 39.535 39.463 0.072 1
1 857 . 16 1 1 A 83 83 ILE N N 83 122.447 123.883 -1.436 1
1 858 . 16 1 1 A 84 84 GLU H H 84 8.612 9.139 -0.527 1
1 859 . 16 1 1 A 84 84 GLU HA H 84 4.801 5.135 -0.334 1
1 862 . 16 1 1 A 84 84 GLU C C 84 176.111 175.579 0.532 1
1 863 . 16 1 1 A 84 84 GLU CA C 84 54.496 54.790 -0.294 1
1 864 . 16 1 1 A 84 84 GLU CB C 84 31.499 32.144 -0.645 1
1 865 . 16 1 1 A 84 84 GLU N N 84 127.346 126.465 0.881 1
1 866 . 16 1 1 A 85 85 PHE H H 85 9.087 9.038 0.049 1
1 867 . 16 1 1 A 85 85 PHE HA H 85 4.817 5.029 -0.212 1
1 875 . 16 1 1 A 85 85 PHE C C 85 174.422 176.850 -2.428 1
1 876 . 16 1 1 A 85 85 PHE CA C 85 59.072 57.752 1.320 1
1 877 . 16 1 1 A 85 85 PHE CB C 85 40.765 41.498 -0.733 1
1 878 . 16 1 1 A 85 85 PHE N N 85 128.049 123.316 4.733 1
1 879 . 16 1 1 A 86 86 ALA H H 86 8.192 9.035 -0.843 1
1 880 . 16 1 1 A 86 86 ALA HA H 86 4.239 4.282 -0.043 1
1 884 . 16 1 1 A 86 86 ALA C C 86 178.143 177.759 0.384 1
1 885 . 16 1 1 A 86 86 ALA CA C 86 54.524 54.389 0.135 1
1 886 . 16 1 1 A 86 86 ALA CB C 86 19.510 19.523 -0.013 1
1 887 . 16 1 1 A 86 86 ALA N N 86 120.669 122.865 -2.196 1
1 888 . 16 1 1 A 87 87 GLU H H 87 8.455 7.999 0.456 1
1 889 . 16 1 1 A 87 87 GLU HA H 87 4.765 4.771 -0.006 1
1 893 . 16 1 1 A 87 87 GLU C C 87 176.472 176.506 -0.034 1
1 894 . 16 1 1 A 87 87 GLU CA C 87 54.353 54.885 -0.532 1
1 895 . 16 1 1 A 87 87 GLU CB C 87 32.624 31.417 1.207 1
1 897 . 16 1 1 A 87 87 GLU N N 87 114.204 117.725 -3.521 1
1 898 . 16 1 1 A 88 88 ARG H H 88 8.917 8.987 -0.070 1
1 899 . 16 1 1 A 88 88 ARG HA H 88 3.961 4.059 -0.098 1
1 905 . 16 1 1 A 88 88 ARG C C 88 178.900 177.895 1.005 1
1 906 . 16 1 1 A 88 88 ARG CA C 88 59.548 58.644 0.904 1
1 907 . 16 1 1 A 88 88 ARG CB C 88 30.073 29.978 0.095 1
1 910 . 16 1 1 A 88 88 ARG N N 88 121.592 124.888 -3.296 1
1 911 . 16 1 1 A 89 89 ASN H H 89 8.845 8.410 0.435 1
1 912 . 16 1 1 A 89 89 ASN HA H 89 4.497 4.493 0.004 1
1 916 . 16 1 1 A 89 89 ASN C C 89 177.179 177.389 -0.210 1
1 917 . 16 1 1 A 89 89 ASN CA C 89 55.861 55.218 0.643 1
1 918 . 16 1 1 A 89 89 ASN CB C 89 37.330 37.139 0.191 1
1 919 . 16 1 1 A 89 89 ASN N N 89 116.555 116.169 0.386 1
1 921 . 16 1 1 A 90 90 SER H H 90 7.513 7.731 -0.218 1
1 922 . 16 1 1 A 90 90 SER HA H 90 4.006 4.178 -0.172 1
1 925 . 16 1 1 A 90 90 SER C C 90 174.511 175.877 -1.366 1
1 926 . 16 1 1 A 90 90 SER CA C 90 61.395 62.266 -0.871 1
1 927 . 16 1 1 A 90 90 SER CB C 90 63.424 62.695 0.729 1
1 928 . 16 1 1 A 90 90 SER N N 90 116.007 117.337 -1.330 1
1 929 . 16 1 1 A 91 91 VAL H H 91 7.653 8.000 -0.347 1
1 930 . 16 1 1 A 91 91 VAL HA H 91 3.201 3.605 -0.404 1
1 938 . 16 1 1 A 91 91 VAL C C 91 176.991 177.371 -0.380 1
1 939 . 16 1 1 A 91 91 VAL CA C 91 66.851 65.074 1.777 1
1 940 . 16 1 1 A 91 91 VAL CB C 91 31.599 31.389 0.210 1
1 943 . 16 1 1 A 91 91 VAL N N 91 119.934 119.648 0.286 1
1 944 . 16 1 1 A 92 92 ASP H H 92 7.192 7.983 -0.791 1
1 945 . 16 1 1 A 92 92 ASP HA H 92 4.321 4.345 -0.024 1
1 947 . 16 1 1 A 92 92 ASP C C 92 178.585 177.887 0.698 1
1 948 . 16 1 1 A 92 92 ASP CA C 92 57.401 57.328 0.073 1
1 949 . 16 1 1 A 92 92 ASP CB C 92 40.078 41.933 -1.855 1
1 950 . 16 1 1 A 92 92 ASP N N 92 117.084 121.094 -4.010 1
1 951 . 16 1 1 A 93 93 ALA H H 93 6.946 7.736 -0.790 1
1 952 . 16 1 1 A 93 93 ALA HA H 93 4.186 4.211 -0.025 1
1 956 . 16 1 1 A 93 93 ALA C C 93 179.272 179.934 -0.662 1
1 957 . 16 1 1 A 93 93 ALA CA C 93 54.445 54.617 -0.172 1
1 958 . 16 1 1 A 93 93 ALA CB C 93 18.164 18.180 -0.016 1
1 959 . 16 1 1 A 93 93 ALA N N 93 121.045 120.880 0.165 1
1 960 . 16 1 1 A 94 94 ALA H H 94 8.033 7.637 0.396 1
1 961 . 16 1 1 A 94 94 ALA HA H 94 4.545 4.077 0.468 1
1 965 . 16 1 1 A 94 94 ALA C C 94 180.529 179.617 0.912 1
1 966 . 16 1 1 A 94 94 ALA CA C 94 55.518 55.153 0.365 1
1 967 . 16 1 1 A 94 94 ALA CB C 94 19.455 18.729 0.726 1
1 968 . 16 1 1 A 94 94 ALA N N 94 122.191 120.888 1.303 1
1 969 . 16 1 1 A 95 95 VAL H H 95 8.565 8.197 0.368 1
1 970 . 16 1 1 A 95 95 VAL HA H 95 3.741 3.921 -0.180 1
1 978 . 16 1 1 A 95 95 VAL C C 95 178.767 177.609 1.158 1
1 979 . 16 1 1 A 95 95 VAL CA C 95 65.820 64.803 1.017 1
1 980 . 16 1 1 A 95 95 VAL CB C 95 31.501 31.445 0.056 1
1 983 . 16 1 1 A 95 95 VAL N N 95 117.405 116.739 0.666 1
1 984 . 16 1 1 A 96 96 ALA H H 96 7.354 7.949 -0.595 1
1 985 . 16 1 1 A 96 96 ALA HA H 96 4.403 4.203 0.200 1
1 989 . 16 1 1 A 96 96 ALA C C 96 178.242 178.092 0.150 1
1 990 . 16 1 1 A 96 96 ALA CA C 96 53.916 53.878 0.038 1
1 991 . 16 1 1 A 96 96 ALA CB C 96 17.841 18.338 -0.497 1
1 992 . 16 1 1 A 96 96 ALA N N 96 122.769 123.730 -0.961 1
1 993 . 16 1 1 A 97 97 MET H H 97 7.980 7.763 0.217 1
1 994 . 16 1 1 A 97 97 MET HA H 97 4.471 4.577 -0.106 1
1 1002 . 16 1 1 A 97 97 MET C C 97 175.959 177.150 -1.191 1
1 1003 . 16 1 1 A 97 97 MET CA C 97 55.150 54.671 0.479 1
1 1004 . 16 1 1 A 97 97 MET CB C 97 31.663 32.750 -1.087 1
1 1007 . 16 1 1 A 97 97 MET N N 97 115.573 117.241 -1.668 1
1 1008 . 16 1 1 A 98 98 ASP H H 98 7.852 8.289 -0.437 1
1 1009 . 16 1 1 A 98 98 ASP HA H 98 4.422 4.443 -0.021 1
1 1012 . 16 1 1 A 98 98 ASP C C 98 175.976 176.497 -0.521 1
1 1013 . 16 1 1 A 98 98 ASP CA C 98 57.476 56.856 0.620 1
1 1014 . 16 1 1 A 98 98 ASP CB C 98 42.008 40.488 1.520 1
1 1015 . 16 1 1 A 98 98 ASP N N 98 121.576 119.086 2.490 1
1 1016 . 16 1 1 A 99 99 GLU H H 99 8.643 7.905 0.738 1
1 1017 . 16 1 1 A 99 99 GLU HA H 99 4.154 4.881 -0.727 1
1 1022 . 16 1 1 A 99 99 GLU C C 99 176.369 175.248 1.121 1
1 1023 . 16 1 1 A 99 99 GLU CA C 99 58.403 55.278 3.125 1
1 1024 . 16 1 1 A 99 99 GLU CB C 99 26.214 31.182 -4.968 1
1 1026 . 16 1 1 A 99 99 GLU N N 99 119.455 118.936 0.519 1
1 1027 . 16 1 1 A 100 100 THR H H 100 7.416 8.795 -1.379 1
1 1028 . 16 1 1 A 100 100 THR HA H 100 4.498 4.975 -0.477 1
1 1033 . 16 1 1 A 100 100 THR C C 100 172.876 171.573 1.303 1
1 1034 . 16 1 1 A 100 100 THR CA C 100 61.065 60.316 0.749 1
1 1035 . 16 1 1 A 100 100 THR CB C 100 72.140 71.289 0.851 1
1 1037 . 16 1 1 A 100 100 THR N N 100 107.670 120.690 -13.020 1
1 1038 . 16 1 1 A 101 101 VAL H H 101 8.252 9.032 -0.780 1
1 1039 . 16 1 1 A 101 101 VAL HA H 101 4.638 4.942 -0.304 1
1 1047 . 16 1 1 A 101 101 VAL C C 101 176.138 173.768 2.370 1
1 1048 . 16 1 1 A 101 101 VAL CA C 101 62.299 59.852 2.447 1
1 1049 . 16 1 1 A 101 101 VAL CB C 101 32.215 34.063 -1.848 1
1 1052 . 16 1 1 A 101 101 VAL N N 101 118.227 122.887 -4.660 1
1 1053 . 16 1 1 A 102 102 PHE H H 102 9.300 9.414 -0.114 1
1 1054 . 16 1 1 A 102 102 PHE HA H 102 4.671 4.754 -0.083 1
1 1061 . 16 1 1 A 102 102 PHE C C 102 174.216 174.886 -0.670 1
1 1062 . 16 1 1 A 102 102 PHE CA C 102 56.205 57.417 -1.212 1
1 1063 . 16 1 1 A 102 102 PHE CB C 102 41.707 41.140 0.567 1
1 1064 . 16 1 1 A 102 102 PHE N N 102 128.863 131.056 -2.193 1
1 1065 . 16 1 1 A 103 103 ARG H H 103 9.167 9.220 -0.053 1
1 1066 . 16 1 1 A 103 103 ARG HA H 103 3.389 3.778 -0.389 1
1 1075 . 16 1 1 A 103 103 ARG C C 103 176.014 176.083 -0.069 1
1 1076 . 16 1 1 A 103 103 ARG CA C 103 57.215 56.853 0.362 1
1 1077 . 16 1 1 A 103 103 ARG CB C 103 27.382 27.785 -0.403 1
1 1080 . 16 1 1 A 103 103 ARG N N 103 128.268 127.396 0.872 1
1 1082 . 16 1 1 A 104 104 GLY H H 104 8.005 8.341 -0.336 1
1 1083 . 16 1 1 A 104 104 GLY HA2 H 104 4.006 3.858 0.148 1
1 1084 . 16 1 1 A 104 104 GLY HA3 H 104 3.455 3.864 -0.409 1
1 1085 . 16 1 1 A 104 104 GLY C C 104 173.766 173.539 0.227 1
1 1086 . 16 1 1 A 104 104 GLY CA C 104 45.598 45.273 0.325 1
1 1087 . 16 1 1 A 104 104 GLY N N 104 101.324 105.155 -3.831 1
1 1088 . 16 1 1 A 105 105 ARG H H 105 7.681 7.770 -0.089 1
1 1089 . 16 1 1 A 105 105 ARG HA H 105 4.735 4.897 -0.162 1
1 1097 . 16 1 1 A 105 105 ARG C C 105 174.543 174.861 -0.318 1
1 1098 . 16 1 1 A 105 105 ARG CA C 105 54.071 54.245 -0.174 1
1 1099 . 16 1 1 A 105 105 ARG CB C 105 33.159 33.158 0.001 1
1 1102 . 16 1 1 A 105 105 ARG N N 105 119.837 116.014 3.823 1
1 1104 . 16 1 1 A 106 106 THR H H 106 8.604 8.731 -0.127 1
1 1105 . 16 1 1 A 106 106 THR HA H 106 4.593 4.795 -0.202 1
1 1110 . 16 1 1 A 106 106 THR C C 106 175.643 174.433 1.210 1
1 1111 . 16 1 1 A 106 106 THR CA C 106 62.821 63.884 -1.063 1
1 1112 . 16 1 1 A 106 106 THR CB C 106 68.784 68.642 0.142 1
1 1114 . 16 1 1 A 106 106 THR N N 106 118.251 117.836 0.415 1
1 1115 . 16 1 1 A 107 107 ILE H H 107 8.756 8.881 -0.125 1
1 1116 . 16 1 1 A 107 107 ILE HA H 107 4.884 5.041 -0.157 1
1 1126 . 16 1 1 A 107 107 ILE C C 107 174.877 174.674 0.203 1
1 1127 . 16 1 1 A 107 107 ILE CA C 107 60.834 59.136 1.698 1
1 1128 . 16 1 1 A 107 107 ILE CB C 107 40.644 40.485 0.159 1
1 1132 . 16 1 1 A 107 107 ILE N N 107 123.422 123.677 -0.255 1
1 1133 . 16 1 1 A 108 108 LYS H H 108 7.412 8.228 -0.816 1
1 1134 . 16 1 1 A 108 108 LYS HA H 108 5.524 5.755 -0.231 1
1 1141 . 16 1 1 A 108 108 LYS C C 108 175.839 175.094 0.745 1
1 1142 . 16 1 1 A 108 108 LYS CA C 108 52.172 54.953 -2.781 1
1 1143 . 16 1 1 A 108 108 LYS CB C 108 33.947 35.143 -1.196 1
1 1147 . 16 1 1 A 108 108 LYS N N 108 121.402 121.672 -0.270 1
1 1148 . 16 1 1 A 109 109 VAL H H 109 9.467 8.993 0.474 1
1 1149 . 16 1 1 A 109 109 VAL HA H 109 5.410 5.687 -0.277 1
1 1157 . 16 1 1 A 109 109 VAL C C 109 174.514 174.776 -0.262 1
1 1158 . 16 1 1 A 109 109 VAL CA C 109 61.258 60.519 0.739 1
1 1159 . 16 1 1 A 109 109 VAL CB C 109 34.289 34.379 -0.090 1
1 1162 . 16 1 1 A 109 109 VAL N N 109 125.530 118.230 7.300 1
1 1163 . 16 1 1 A 110 110 LEU H H 110 9.081 8.928 0.153 1
1 1164 . 16 1 1 A 110 110 LEU HA H 110 5.109 5.103 0.006 1
1 1173 . 16 1 1 A 110 110 LEU CA C 110 51.660 51.221 0.439 1
1 1174 . 16 1 1 A 110 110 LEU CB C 110 46.037 44.951 1.086 1
1 1178 . 16 1 1 A 110 110 LEU N N 110 125.323 123.527 1.796 1
1 1179 . 16 1 1 A 111 111 PRO HA H 111 4.539 4.727 -0.188 1
1 1186 . 16 1 1 A 111 111 PRO C C 111 176.222 176.652 -0.430 1
1 1187 . 16 1 1 A 111 111 PRO CA C 111 63.390 62.570 0.820 1
1 1188 . 16 1 1 A 111 111 PRO CB C 111 31.697 32.637 -0.940 1
1 1191 . 16 1 1 A 112 112 LYS H H 112 8.121 8.683 -0.562 1
1 1192 . 16 1 1 A 112 112 LYS HA H 112 4.113 4.436 -0.323 1
1 1199 . 16 1 1 A 112 112 LYS C C 112 175.830 177.156 -1.326 1
1 1200 . 16 1 1 A 112 112 LYS CA C 112 58.405 56.340 2.065 1
1 1201 . 16 1 1 A 112 112 LYS CB C 112 33.746 32.907 0.839 1
1 1204 . 16 1 1 A 112 112 LYS N N 112 124.317 121.881 2.436 1
1 1205 . 16 1 1 A 113 113 ARG H H 113 8.228 8.735 -0.507 1
1 1206 . 16 1 1 A 113 113 ARG HA H 113 4.451 4.348 0.103 1
1 1211 . 16 1 1 A 113 113 ARG C C 113 175.758 176.528 -0.770 1
1 1212 . 16 1 1 A 113 113 ARG CA C 113 55.468 58.091 -2.623 1
1 1213 . 16 1 1 A 113 113 ARG CB C 113 31.550 31.078 0.472 1
1 1215 . 16 1 1 A 113 113 ARG N N 113 121.228 123.400 -2.172 1
1 1216 . 16 1 1 A 114 114 THR H H 114 8.138 7.913 0.225 1
1 1217 . 16 1 1 A 114 114 THR HA H 114 4.264 5.243 -0.979 1
1 1222 . 16 1 1 A 114 114 THR C C 114 174.043 172.962 1.081 1
1 1223 . 16 1 1 A 114 114 THR CA C 114 62.229 60.681 1.548 1
1 1224 . 16 1 1 A 114 114 THR CB C 114 69.682 70.560 -0.878 1
1 1226 . 16 1 1 A 114 114 THR N N 114 116.384 108.755 7.629 1
1 1227 . 16 1 1 A 115 115 ASN H H 115 8.406 8.904 -0.498 1
1 1228 . 16 1 1 A 115 115 ASN HA H 115 4.682 4.906 -0.224 1
1 1233 . 16 1 1 A 115 115 ASN C C 115 174.513 173.857 0.656 1
1 1234 . 16 1 1 A 115 115 ASN CA C 115 53.242 53.093 0.149 1
1 1235 . 16 1 1 A 115 115 ASN CB C 115 38.888 40.510 -1.622 1
1 1236 . 16 1 1 A 115 115 ASN N N 115 120.871 124.713 -3.842 1
1 1238 . 16 1 1 A 116 116 MET H H 116 8.138 8.810 -0.672 1
1 1239 . 16 1 1 A 116 116 MET CA C 116 53.400 53.730 -0.330 1
1 1240 . 16 1 1 A 116 116 MET CB C 116 32.829 32.478 0.351 1
1 1241 . 16 1 1 A 116 116 MET N N 116 121.611 125.644 -4.033 1
1 1242 . 16 1 1 A 117 117 PRO HA H 117 4.428 4.682 -0.254 1
1 1245 . 16 1 1 A 117 117 PRO C C 117 175.935 176.510 -0.575 1
1 1246 . 16 1 1 A 117 117 PRO CA C 117 63.489 62.077 1.412 1
1 1247 . 16 1 1 A 117 117 PRO CB C 117 32.105 32.888 -0.783 1
1 1248 . 16 1 1 A 118 118 GLY H H 118 8.411 8.747 -0.336 1
1 1249 . 16 1 1 A 118 118 GLY HA2 H 118 3.927 4.259 -0.332 1
1 1250 . 16 1 1 A 118 118 GLY HA3 H 118 4.389 4.277 0.112 1
1 1251 . 16 1 1 A 118 118 GLY C C 118 174.117 172.406 1.711 1
1 1252 . 16 1 1 A 118 118 GLY CA C 118 45.470 44.462 1.008 1
1 1253 . 16 1 1 A 118 118 GLY N N 118 109.241 107.503 1.738 1
1 1254 . 16 1 1 A 119 119 ILE H H 119 7.825 8.490 -0.665 1
1 1255 . 16 1 1 A 119 119 ILE HA H 119 4.234 4.825 -0.591 1
1 1265 . 16 1 1 A 119 119 ILE C C 119 176.261 174.288 1.973 1
1 1266 . 16 1 1 A 119 119 ILE CA C 119 61.029 58.822 2.207 1
1 1267 . 16 1 1 A 119 119 ILE CB C 119 38.878 41.195 -2.317 1
1 1270 . 16 1 1 A 119 119 ILE N N 119 119.504 122.183 -2.679 1
1 1271 . 16 1 1 A 120 120 SER H H 120 8.397 8.584 -0.187 1
1 1272 . 16 1 1 A 120 120 SER HA H 120 4.534 4.512 0.022 1
1 1274 . 16 1 1 A 120 120 SER C C 120 174.692 173.653 1.039 1
1 1275 . 16 1 1 A 120 120 SER CA C 120 58.150 59.181 -1.031 1
1 1276 . 16 1 1 A 120 120 SER CB C 120 63.997 62.679 1.318 1
1 1277 . 16 1 1 A 120 120 SER N N 120 119.359 121.012 -1.653 1
1 1278 . 16 1 1 A 121 121 SER H H 121 8.371 8.710 -0.339 1
1 1279 . 16 1 1 A 121 121 SER HA H 121 4.360 4.723 -0.363 1
1 1280 . 16 1 1 A 121 121 SER C C 121 174.809 173.481 1.328 1
1 1281 . 16 1 1 A 121 121 SER CA C 121 58.656 58.679 -0.023 1
1 1282 . 16 1 1 A 121 121 SER CB C 121 63.795 63.030 0.765 1
1 1283 . 16 1 1 A 121 121 SER N N 121 118.036 124.534 -6.498 1
1 1284 . 16 1 1 A 122 122 THR H H 122 8.100 8.315 -0.215 1
1 1285 . 16 1 1 A 122 122 THR C C 122 174.254 172.450 1.804 1
1 1286 . 16 1 1 A 122 122 THR CA C 122 61.829 60.373 1.456 1
1 1287 . 16 1 1 A 122 122 THR CB C 122 69.537 71.640 -2.103 1
1 1288 . 16 1 1 A 122 122 THR N N 122 114.163 119.676 -5.513 1
1 1289 . 16 1 1 A 123 123 ASP H H 123 8.197 8.833 -0.636 1
1 1290 . 16 1 1 A 123 123 ASP HA H 123 4.641 4.746 -0.105 1
1 1292 . 16 1 1 A 123 123 ASP C C 123 174.975 174.873 0.102 1
1 1293 . 16 1 1 A 123 123 ASP CA C 123 54.542 55.755 -1.213 1
1 1294 . 16 1 1 A 123 123 ASP CB C 123 41.144 42.241 -1.097 1
1 1295 . 16 1 1 A 123 123 ASP N N 123 122.772 126.103 -3.331 1
1 8 . 17 1 1 A 2 2 ILE H H 2 8.420 8.777 -0.357 1
1 9 . 17 1 1 A 2 2 ILE HA H 2 4.219 4.997 -0.778 1
1 11 . 17 1 1 A 2 2 ILE C C 2 175.424 174.586 0.838 1
1 12 . 17 1 1 A 2 2 ILE CA C 2 61.022 59.230 1.792 1
1 13 . 17 1 1 A 2 2 ILE CB C 2 38.918 40.212 -1.294 1
1 14 . 17 1 1 A 2 2 ILE N N 2 120.314 120.072 0.242 1
1 15 . 17 1 1 A 3 3 ALA H H 3 8.374 8.551 -0.177 1
1 16 . 17 1 1 A 3 3 ALA CA C 3 50.509 49.972 0.537 1
1 17 . 17 1 1 A 3 3 ALA CB C 3 18.608 21.776 -3.168 1
1 18 . 17 1 1 A 3 3 ALA N N 3 129.874 124.844 5.030 1
1 19 . 17 1 1 A 4 4 PRO HA H 4 4.446 4.486 -0.040 1
1 22 . 17 1 1 A 4 4 PRO C C 4 176.949 176.977 -0.028 1
1 23 . 17 1 1 A 4 4 PRO CA C 4 63.456 62.891 0.565 1
1 24 . 17 1 1 A 4 4 PRO CB C 4 32.203 31.866 0.337 1
1 25 . 17 1 1 A 5 5 CYS H H 5 8.347 8.464 -0.117 1
1 26 . 17 1 1 A 5 5 CYS HA H 5 4.492 4.152 0.340 1
1 28 . 17 1 1 A 5 5 CYS C C 5 174.805 175.356 -0.551 1
1 29 . 17 1 1 A 5 5 CYS CA C 5 58.495 59.758 -1.263 1
1 30 . 17 1 1 A 5 5 CYS CB C 5 27.957 27.075 0.882 1
1 31 . 17 1 1 A 5 5 CYS N N 5 118.477 122.286 -3.809 1
1 32 . 17 1 1 A 6 6 MET H H 6 8.421 8.741 -0.320 1
1 33 . 17 1 1 A 6 6 MET HA H 6 4.534 4.065 0.469 1
1 35 . 17 1 1 A 6 6 MET C C 6 176.132 175.543 0.589 1
1 36 . 17 1 1 A 6 6 MET CA C 6 55.629 56.025 -0.396 1
1 37 . 17 1 1 A 6 6 MET CB C 6 33.048 31.404 1.644 1
1 38 . 17 1 1 A 6 6 MET N N 6 122.952 122.134 0.818 1
1 39 . 17 1 1 A 7 7 GLN H H 7 8.313 8.146 0.167 1
1 40 . 17 1 1 A 7 7 GLN HA H 7 4.435 4.472 -0.037 1
1 42 . 17 1 1 A 7 7 GLN C C 7 176.128 175.760 0.368 1
1 43 . 17 1 1 A 7 7 GLN CA C 7 56.109 56.016 0.093 1
1 44 . 17 1 1 A 7 7 GLN CB C 7 29.591 28.896 0.695 1
1 45 . 17 1 1 A 7 7 GLN N N 7 121.379 118.795 2.584 1
1 46 . 17 1 1 A 8 8 THR H H 8 8.195 8.578 -0.383 1
1 47 . 17 1 1 A 8 8 THR HA H 8 4.406 4.679 -0.273 1
1 49 . 17 1 1 A 8 8 THR C C 8 174.739 174.916 -0.177 1
1 50 . 17 1 1 A 8 8 THR CA C 8 61.856 61.079 0.777 1
1 51 . 17 1 1 A 8 8 THR CB C 8 69.854 68.436 1.418 1
1 52 . 17 1 1 A 8 8 THR N N 8 115.096 116.157 -1.061 1
1 53 . 17 1 1 A 9 9 THR H H 9 8.081 8.302 -0.221 1
1 54 . 17 1 1 A 9 9 THR HA H 9 4.335 4.472 -0.137 1
1 56 . 17 1 1 A 9 9 THR C C 9 174.407 175.665 -1.258 1
1 57 . 17 1 1 A 9 9 THR CA C 9 61.896 62.755 -0.859 1
1 58 . 17 1 1 A 9 9 THR CB C 9 69.811 69.900 -0.089 1
1 59 . 17 1 1 A 9 9 THR N N 9 115.837 116.419 -0.582 1
1 60 . 17 1 1 A 10 10 HIS H H 10 8.477 8.215 0.262 1
1 61 . 17 1 1 A 10 10 HIS HA H 10 4.788 4.143 0.645 1
1 64 . 17 1 1 A 10 10 HIS C C 10 174.571 174.999 -0.428 1
1 65 . 17 1 1 A 10 10 HIS CA C 10 55.477 56.676 -1.199 1
1 66 . 17 1 1 A 10 10 HIS CB C 10 29.291 28.755 0.536 1
1 67 . 17 1 1 A 10 10 HIS N N 10 120.606 120.766 -0.160 1
1 68 . 17 1 1 A 11 11 SER H H 11 8.306 7.753 0.553 1
1 69 . 17 1 1 A 11 11 SER HA H 11 4.448 4.343 0.105 1
1 71 . 17 1 1 A 11 11 SER C C 11 174.512 173.209 1.303 1
1 72 . 17 1 1 A 11 11 SER CA C 11 58.557 57.130 1.427 1
1 73 . 17 1 1 A 11 11 SER CB C 11 63.943 61.563 2.380 1
1 74 . 17 1 1 A 11 11 SER N N 11 117.043 115.322 1.721 1
1 75 . 17 1 1 A 12 12 LYS H H 12 8.402 8.130 0.272 1
1 76 . 17 1 1 A 12 12 LYS HA H 12 4.359 4.720 -0.361 1
1 79 . 17 1 1 A 12 12 LYS C C 12 176.592 174.447 2.145 1
1 80 . 17 1 1 A 12 12 LYS CA C 12 56.634 55.298 1.336 1
1 81 . 17 1 1 A 12 12 LYS CB C 12 33.127 33.413 -0.286 1
1 82 . 17 1 1 A 12 12 LYS N N 12 123.023 126.372 -3.349 1
1 83 . 17 1 1 A 13 13 MET H H 13 8.343 8.311 0.032 1
1 84 . 17 1 1 A 13 13 MET HA H 13 4.530 4.869 -0.339 1
1 88 . 17 1 1 A 13 13 MET C C 13 176.373 174.039 2.334 1
1 89 . 17 1 1 A 13 13 MET CA C 13 55.680 54.601 1.079 1
1 90 . 17 1 1 A 13 13 MET CB C 13 32.925 35.439 -2.514 1
1 91 . 17 1 1 A 13 13 MET N N 13 121.294 122.787 -1.493 1
1 92 . 17 1 1 A 14 14 THR H H 14 8.068 8.575 -0.507 1
1 93 . 17 1 1 A 14 14 THR HA H 14 4.333 4.875 -0.542 1
1 97 . 17 1 1 A 14 14 THR C C 14 174.246 173.296 0.950 1
1 98 . 17 1 1 A 14 14 THR CA C 14 61.770 61.627 0.143 1
1 99 . 17 1 1 A 14 14 THR CB C 14 69.894 70.512 -0.618 1
1 100 . 17 1 1 A 14 14 THR N N 14 115.254 118.896 -3.642 1
1 101 . 17 1 1 A 15 15 ALA H H 15 8.289 8.933 -0.644 1
1 102 . 17 1 1 A 15 15 ALA HA H 15 4.344 5.097 -0.753 1
1 106 . 17 1 1 A 15 15 ALA C C 15 178.080 177.514 0.566 1
1 107 . 17 1 1 A 15 15 ALA CA C 15 52.779 50.397 2.382 1
1 108 . 17 1 1 A 15 15 ALA CB C 15 19.286 21.105 -1.819 1
1 109 . 17 1 1 A 15 15 ALA N N 15 126.372 129.663 -3.291 1
1 110 . 17 1 1 A 16 16 GLY H H 16 8.291 8.704 -0.413 1
1 111 . 17 1 1 A 16 16 GLY HA2 H 16 3.913 4.058 -0.145 1
1 112 . 17 1 1 A 16 16 GLY C C 16 173.788 173.291 0.497 1
1 113 . 17 1 1 A 16 16 GLY CA C 16 45.298 44.626 0.672 1
1 114 . 17 1 1 A 16 16 GLY N N 16 108.095 110.625 -2.530 1
1 115 . 17 1 1 A 17 17 ALA H H 17 8.000 8.387 -0.387 1
1 116 . 17 1 1 A 17 17 ALA HA H 17 4.292 5.061 -0.769 1
1 120 . 17 1 1 A 17 17 ALA C C 17 177.366 174.923 2.443 1
1 121 . 17 1 1 A 17 17 ALA CA C 17 52.518 51.212 1.306 1
1 122 . 17 1 1 A 17 17 ALA CB C 17 19.577 23.257 -3.680 1
1 123 . 17 1 1 A 17 17 ALA N N 17 123.370 124.690 -1.320 1
1 124 . 17 1 1 A 18 18 TYR H H 18 8.135 8.561 -0.426 1
1 125 . 17 1 1 A 18 18 TYR HA H 18 4.640 4.972 -0.332 1
1 129 . 17 1 1 A 18 18 TYR C C 18 176.031 173.257 2.774 1
1 130 . 17 1 1 A 18 18 TYR CA C 18 57.973 56.353 1.620 1
1 131 . 17 1 1 A 18 18 TYR CB C 18 38.661 40.899 -2.238 1
1 132 . 17 1 1 A 18 18 TYR N N 18 119.212 119.898 -0.686 1
1 133 . 17 1 1 A 19 19 THR H H 19 7.912 7.830 0.082 1
1 134 . 17 1 1 A 19 19 THR HA H 19 4.267 5.368 -1.101 1
1 139 . 17 1 1 A 19 19 THR C C 19 173.995 173.281 0.714 1
1 140 . 17 1 1 A 19 19 THR CA C 19 61.848 59.666 2.182 1
1 141 . 17 1 1 A 19 19 THR CB C 19 69.756 71.829 -2.073 1
1 142 . 17 1 1 A 19 19 THR N N 19 115.764 114.195 1.569 1
1 143 . 17 1 1 A 20 20 GLU H H 20 8.077 8.546 -0.469 1
1 144 . 17 1 1 A 20 20 GLU HA H 20 4.301 4.550 -0.249 1
1 148 . 17 1 1 A 20 20 GLU C C 20 176.128 176.761 -0.633 1
1 149 . 17 1 1 A 20 20 GLU CA C 20 56.312 55.729 0.583 1
1 150 . 17 1 1 A 20 20 GLU CB C 20 30.423 31.192 -0.769 1
1 152 . 17 1 1 A 20 20 GLU N N 20 122.553 125.889 -3.336 1
1 153 . 17 1 1 A 21 21 GLY H H 21 7.966 8.334 -0.368 1
1 154 . 17 1 1 A 21 21 GLY HA2 H 21 3.903 4.088 -0.185 1
1 155 . 17 1 1 A 21 21 GLY CA C 21 44.257 44.727 -0.470 1
1 156 . 17 1 1 A 21 21 GLY N N 21 109.544 108.072 1.472 1
1 157 . 17 1 1 A 22 22 PRO HA H 22 4.232 4.313 -0.081 1
1 164 . 17 1 1 A 22 22 PRO CA C 22 61.109 65.027 -3.918 1
1 165 . 17 1 1 A 22 22 PRO CB C 22 30.711 31.359 -0.648 1
1 168 . 17 1 1 A 23 23 PRO HA H 23 4.363 4.634 -0.271 1
1 174 . 17 1 1 A 23 23 PRO C C 23 176.567 176.310 0.257 1
1 175 . 17 1 1 A 23 23 PRO CA C 23 62.733 62.792 -0.059 1
1 176 . 17 1 1 A 23 23 PRO CB C 23 32.048 31.852 0.196 1
1 179 . 17 1 1 A 24 24 GLN H H 24 8.286 8.400 -0.114 1
1 180 . 17 1 1 A 24 24 GLN HA H 24 4.479 4.793 -0.314 1
1 186 . 17 1 1 A 24 24 GLN CA C 24 53.763 52.955 0.808 1
1 187 . 17 1 1 A 24 24 GLN CB C 24 28.800 28.985 -0.185 1
1 189 . 17 1 1 A 24 24 GLN N N 24 121.215 120.250 0.965 1
1 191 . 17 1 1 A 25 25 PRO HA H 25 4.389 4.499 -0.110 1
1 198 . 17 1 1 A 25 25 PRO C C 25 176.707 175.180 1.527 1
1 199 . 17 1 1 A 25 25 PRO CA C 25 62.867 62.324 0.543 1
1 200 . 17 1 1 A 25 25 PRO CB C 25 32.174 33.243 -1.069 1
1 203 . 17 1 1 A 26 26 LEU H H 26 8.244 8.342 -0.098 1
1 204 . 17 1 1 A 26 26 LEU HA H 26 4.405 4.921 -0.516 1
1 214 . 17 1 1 A 26 26 LEU C C 26 177.517 175.125 2.392 1
1 215 . 17 1 1 A 26 26 LEU CA C 26 54.643 53.141 1.502 1
1 216 . 17 1 1 A 26 26 LEU CB C 26 43.618 45.404 -1.786 1
1 220 . 17 1 1 A 26 26 LEU N N 26 122.745 121.738 1.007 1
1 221 . 17 1 1 A 27 27 SER H H 27 8.758 8.602 0.156 1
1 222 . 17 1 1 A 27 27 SER HA H 27 4.474 4.613 -0.139 1
1 225 . 17 1 1 A 27 27 SER C C 27 174.789 175.480 -0.691 1
1 226 . 17 1 1 A 27 27 SER CA C 27 57.461 58.505 -1.044 1
1 227 . 17 1 1 A 27 27 SER CB C 27 65.280 63.636 1.644 1
1 228 . 17 1 1 A 27 27 SER N N 27 117.967 116.386 1.581 1
1 229 . 17 1 1 A 28 28 ALA H H 28 8.841 8.955 -0.114 1
1 230 . 17 1 1 A 28 28 ALA HA H 28 4.037 3.995 0.042 1
1 234 . 17 1 1 A 28 28 ALA CA C 28 55.346 55.527 -0.181 1
1 235 . 17 1 1 A 28 28 ALA CB C 28 18.347 18.150 0.197 1
1 236 . 17 1 1 A 28 28 ALA N N 28 124.144 129.343 -5.199 1
1 237 . 17 1 1 A 29 29 GLU H H 29 8.565 8.112 0.453 1
1 238 . 17 1 1 A 29 29 GLU HA H 29 4.026 4.019 0.007 1
1 242 . 17 1 1 A 29 29 GLU C C 29 178.877 179.468 -0.591 1
1 243 . 17 1 1 A 29 29 GLU CA C 29 59.430 59.534 -0.104 1
1 244 . 17 1 1 A 29 29 GLU CB C 29 29.244 29.326 -0.082 1
1 246 . 17 1 1 A 29 29 GLU N N 29 117.527 117.665 -0.138 1
1 247 . 17 1 1 A 30 30 GLU H H 30 7.823 8.237 -0.414 1
1 248 . 17 1 1 A 30 30 GLU HA H 30 4.054 4.049 0.005 1
1 253 . 17 1 1 A 30 30 GLU C C 30 179.191 179.183 0.008 1
1 254 . 17 1 1 A 30 30 GLU CA C 30 59.037 59.224 -0.187 1
1 255 . 17 1 1 A 30 30 GLU CB C 30 30.102 29.049 1.053 1
1 257 . 17 1 1 A 30 30 GLU N N 30 120.773 120.932 -0.159 1
1 258 . 17 1 1 A 31 31 LYS H H 31 8.246 7.479 0.767 1
1 259 . 17 1 1 A 31 31 LYS HA H 31 3.844 4.119 -0.275 1
1 266 . 17 1 1 A 31 31 LYS C C 31 177.968 179.793 -1.825 1
1 267 . 17 1 1 A 31 31 LYS CA C 31 59.889 59.604 0.285 1
1 268 . 17 1 1 A 31 31 LYS CB C 31 32.350 32.327 0.023 1
1 272 . 17 1 1 A 31 31 LYS N N 31 119.315 120.001 -0.686 1
1 273 . 17 1 1 A 32 32 LYS H H 32 7.698 7.422 0.276 1
1 274 . 17 1 1 A 32 32 LYS HA H 32 4.043 4.019 0.024 1
1 282 . 17 1 1 A 32 32 LYS C C 32 178.848 179.715 -0.867 1
1 283 . 17 1 1 A 32 32 LYS CA C 32 59.479 59.911 -0.432 1
1 284 . 17 1 1 A 32 32 LYS CB C 32 32.459 31.922 0.537 1
1 288 . 17 1 1 A 32 32 LYS N N 32 118.195 119.497 -1.302 1
1 289 . 17 1 1 A 33 33 GLU H H 33 7.512 7.859 -0.347 1
1 290 . 17 1 1 A 33 33 GLU HA H 33 4.031 4.112 -0.081 1
1 295 . 17 1 1 A 33 33 GLU C C 33 178.989 179.642 -0.653 1
1 296 . 17 1 1 A 33 33 GLU CA C 33 59.157 58.984 0.173 1
1 297 . 17 1 1 A 33 33 GLU CB C 33 29.220 29.852 -0.632 1
1 299 . 17 1 1 A 33 33 GLU N N 33 118.459 119.990 -1.531 1
1 300 . 17 1 1 A 34 34 ILE H H 34 7.912 7.486 0.426 1
1 301 . 17 1 1 A 34 34 ILE HA H 34 3.503 3.863 -0.360 1
1 311 . 17 1 1 A 34 34 ILE C C 34 180.639 177.748 2.891 1
1 312 . 17 1 1 A 34 34 ILE CA C 34 65.305 63.895 1.410 1
1 313 . 17 1 1 A 34 34 ILE CB C 34 38.540 37.372 1.168 1
1 317 . 17 1 1 A 34 34 ILE N N 34 120.176 117.900 2.276 1
1 318 . 17 1 1 A 35 35 ASP H H 35 8.457 8.346 0.111 1
1 319 . 17 1 1 A 35 35 ASP HA H 35 4.145 4.426 -0.281 1
1 322 . 17 1 1 A 35 35 ASP C C 35 178.790 178.296 0.494 1
1 323 . 17 1 1 A 35 35 ASP CA C 35 58.322 57.466 0.856 1
1 324 . 17 1 1 A 35 35 ASP CB C 35 39.538 42.120 -2.582 1
1 325 . 17 1 1 A 35 35 ASP N N 35 123.589 121.348 2.241 1
1 326 . 17 1 1 A 36 36 LYS H H 36 7.573 8.127 -0.554 1
1 327 . 17 1 1 A 36 36 LYS HA H 36 4.187 4.229 -0.042 1
1 334 . 17 1 1 A 36 36 LYS C C 36 176.400 177.829 -1.429 1
1 335 . 17 1 1 A 36 36 LYS CA C 36 58.656 58.528 0.128 1
1 336 . 17 1 1 A 36 36 LYS CB C 36 32.991 32.595 0.396 1
1 340 . 17 1 1 A 36 36 LYS N N 36 117.506 118.775 -1.269 1
1 341 . 17 1 1 A 37 37 ARG H H 37 7.397 7.981 -0.584 1
1 342 . 17 1 1 A 37 37 ARG HA H 37 4.658 4.610 0.048 1
1 348 . 17 1 1 A 37 37 ARG C C 37 174.361 175.336 -0.975 1
1 349 . 17 1 1 A 37 37 ARG CA C 37 55.793 55.130 0.663 1
1 350 . 17 1 1 A 37 37 ARG CB C 37 31.260 30.795 0.465 1
1 353 . 17 1 1 A 37 37 ARG N N 37 115.182 117.919 -2.737 1
1 354 . 17 1 1 A 38 38 SER H H 38 7.416 7.609 -0.193 1
1 355 . 17 1 1 A 38 38 SER HA H 38 6.346 4.982 1.364 1
1 358 . 17 1 1 A 38 38 SER C C 38 173.807 173.985 -0.178 1
1 359 . 17 1 1 A 38 38 SER CA C 38 57.574 58.316 -0.742 1
1 360 . 17 1 1 A 38 38 SER CB C 38 67.003 64.773 2.230 1
1 361 . 17 1 1 A 38 38 SER N N 38 112.872 118.115 -5.243 1
1 362 . 17 1 1 A 39 39 VAL H H 39 8.812 8.806 0.006 1
1 363 . 17 1 1 A 39 39 VAL HA H 39 5.117 5.194 -0.077 1
1 371 . 17 1 1 A 39 39 VAL C C 39 174.519 173.290 1.229 1
1 372 . 17 1 1 A 39 39 VAL CA C 39 59.085 59.099 -0.014 1
1 373 . 17 1 1 A 39 39 VAL CB C 39 34.476 36.080 -1.604 1
1 376 . 17 1 1 A 39 39 VAL N N 39 111.961 118.313 -6.352 1
1 377 . 17 1 1 A 40 40 TYR H H 40 9.366 9.035 0.331 1
1 378 . 17 1 1 A 40 40 TYR HA H 40 5.108 4.867 0.241 1
1 385 . 17 1 1 A 40 40 TYR C C 40 172.976 173.602 -0.626 1
1 386 . 17 1 1 A 40 40 TYR CA C 40 56.633 55.775 0.858 1
1 387 . 17 1 1 A 40 40 TYR CB C 40 41.058 41.569 -0.511 1
1 390 . 17 1 1 A 40 40 TYR N N 40 123.743 124.615 -0.872 1
1 391 . 17 1 1 A 41 41 VAL H H 41 8.734 9.149 -0.415 1
1 392 . 17 1 1 A 41 41 VAL HA H 41 4.876 4.753 0.123 1
1 400 . 17 1 1 A 41 41 VAL C C 41 174.651 174.831 -0.180 1
1 401 . 17 1 1 A 41 41 VAL CA C 41 59.798 60.489 -0.691 1
1 402 . 17 1 1 A 41 41 VAL CB C 41 33.329 33.958 -0.629 1
1 405 . 17 1 1 A 41 41 VAL N N 41 127.436 126.562 0.874 1
1 406 . 17 1 1 A 42 42 GLY H H 42 9.669 8.708 0.961 1
1 407 . 17 1 1 A 42 42 GLY HA2 H 42 3.612 4.001 -0.389 1
1 408 . 17 1 1 A 42 42 GLY HA3 H 42 4.392 4.069 0.323 1
1 409 . 17 1 1 A 42 42 GLY C C 42 173.639 174.369 -0.730 1
1 410 . 17 1 1 A 42 42 GLY CA C 42 44.169 43.511 0.658 1
1 411 . 17 1 1 A 42 42 GLY N N 42 113.263 114.823 -1.560 1
1 412 . 17 1 1 A 43 43 ASN H H 43 8.412 9.109 -0.697 1
1 413 . 17 1 1 A 43 43 ASN HA H 43 4.510 4.400 0.110 1
1 418 . 17 1 1 A 43 43 ASN C C 43 174.364 175.246 -0.882 1
1 419 . 17 1 1 A 43 43 ASN CA C 43 53.557 54.149 -0.592 1
1 420 . 17 1 1 A 43 43 ASN CB C 43 37.283 37.933 -0.650 1
1 421 . 17 1 1 A 43 43 ASN N N 43 115.451 119.576 -4.125 1
1 423 . 17 1 1 A 44 44 VAL H H 44 7.083 7.859 -0.776 1
1 424 . 17 1 1 A 44 44 VAL HA H 44 3.975 4.025 -0.050 1
1 432 . 17 1 1 A 44 44 VAL C C 44 175.885 174.655 1.230 1
1 433 . 17 1 1 A 44 44 VAL CA C 44 61.614 62.559 -0.945 1
1 434 . 17 1 1 A 44 44 VAL CB C 44 32.914 33.054 -0.140 1
1 437 . 17 1 1 A 44 44 VAL N N 44 115.399 119.807 -4.408 1
1 438 . 17 1 1 A 45 45 ASP H H 45 8.305 8.750 -0.445 1
1 439 . 17 1 1 A 45 45 ASP HA H 45 4.467 4.795 -0.328 1
1 442 . 17 1 1 A 45 45 ASP C C 45 177.205 176.967 0.238 1
1 443 . 17 1 1 A 45 45 ASP CA C 45 54.613 54.563 0.050 1
1 444 . 17 1 1 A 45 45 ASP CB C 45 43.657 43.118 0.539 1
1 445 . 17 1 1 A 45 45 ASP N N 45 124.440 126.748 -2.308 1
1 446 . 17 1 1 A 46 46 TYR H H 46 8.715 9.157 -0.442 1
1 447 . 17 1 1 A 46 46 TYR HA H 46 4.483 4.159 0.324 1
1 454 . 17 1 1 A 46 46 TYR C C 46 175.453 177.209 -1.756 1
1 455 . 17 1 1 A 46 46 TYR CA C 46 59.464 60.686 -1.222 1
1 456 . 17 1 1 A 46 46 TYR CB C 46 38.753 39.081 -0.328 1
1 458 . 17 1 1 A 46 46 TYR N N 46 125.588 127.495 -1.907 1
1 459 . 17 1 1 A 47 47 GLY H H 47 8.387 8.509 -0.122 1
1 460 . 17 1 1 A 47 47 GLY HA2 H 47 3.561 3.943 -0.382 1
1 461 . 17 1 1 A 47 47 GLY HA3 H 47 4.348 3.998 0.350 1
1 462 . 17 1 1 A 47 47 GLY C C 47 173.578 174.094 -0.516 1
1 463 . 17 1 1 A 47 47 GLY CA C 47 44.965 45.398 -0.433 1
1 464 . 17 1 1 A 47 47 GLY N N 47 106.974 106.597 0.377 1
1 465 . 17 1 1 A 48 48 SER H H 48 7.417 7.930 -0.513 1
1 466 . 17 1 1 A 48 48 SER HA H 48 4.428 4.678 -0.250 1
1 468 . 17 1 1 A 48 48 SER C C 48 173.220 174.332 -1.112 1
1 469 . 17 1 1 A 48 48 SER CA C 48 59.892 59.306 0.586 1
1 470 . 17 1 1 A 48 48 SER CB C 48 64.519 64.103 0.416 1
1 471 . 17 1 1 A 48 48 SER N N 48 115.423 116.368 -0.945 1
1 472 . 17 1 1 A 49 49 THR H H 49 8.474 8.342 0.132 1
1 473 . 17 1 1 A 49 49 THR HA H 49 4.660 4.664 -0.004 1
1 478 . 17 1 1 A 49 49 THR C C 49 175.940 175.848 0.092 1
1 479 . 17 1 1 A 49 49 THR CA C 49 58.831 60.090 -1.259 1
1 480 . 17 1 1 A 49 49 THR CB C 49 72.585 71.906 0.679 1
1 482 . 17 1 1 A 49 49 THR N N 49 112.103 116.021 -3.918 1
1 483 . 17 1 1 A 50 50 ALA H H 50 9.723 9.111 0.612 1
1 484 . 17 1 1 A 50 50 ALA HA H 50 3.923 4.024 -0.101 1
1 488 . 17 1 1 A 50 50 ALA C C 50 179.045 179.715 -0.670 1
1 489 . 17 1 1 A 50 50 ALA CA C 50 55.643 55.389 0.254 1
1 490 . 17 1 1 A 50 50 ALA CB C 50 18.259 17.926 0.333 1
1 491 . 17 1 1 A 50 50 ALA N N 50 123.988 124.129 -0.141 1
1 492 . 17 1 1 A 51 51 GLN H H 51 7.730 8.142 -0.412 1
1 493 . 17 1 1 A 51 51 GLN HA H 51 3.940 3.989 -0.049 1
1 500 . 17 1 1 A 51 51 GLN C C 51 178.215 178.084 0.131 1
1 501 . 17 1 1 A 51 51 GLN CA C 51 59.096 58.604 0.492 1
1 502 . 17 1 1 A 51 51 GLN CB C 51 28.508 28.372 0.136 1
1 504 . 17 1 1 A 51 51 GLN N N 51 116.375 117.903 -1.528 1
1 505 . 17 1 1 A 52 52 ASP H H 52 8.273 8.178 0.095 1
1 506 . 17 1 1 A 52 52 ASP HA H 52 4.587 4.462 0.125 1
1 507 . 17 1 1 A 52 52 ASP C C 52 179.837 179.041 0.796 1
1 508 . 17 1 1 A 52 52 ASP CA C 52 57.556 57.380 0.176 1
1 509 . 17 1 1 A 52 52 ASP CB C 52 41.057 40.846 0.211 1
1 510 . 17 1 1 A 52 52 ASP N N 52 120.755 119.693 1.062 1
1 511 . 17 1 1 A 53 53 LEU H H 53 7.855 8.144 -0.289 1
1 512 . 17 1 1 A 53 53 LEU HA H 53 3.933 3.956 -0.023 1
1 522 . 17 1 1 A 53 53 LEU C C 53 178.463 179.069 -0.606 1
1 523 . 17 1 1 A 53 53 LEU CA C 53 58.367 58.046 0.321 1
1 524 . 17 1 1 A 53 53 LEU CB C 53 42.646 41.172 1.474 1
1 528 . 17 1 1 A 53 53 LEU N N 53 122.035 120.752 1.283 1
1 529 . 17 1 1 A 54 54 GLU H H 54 8.804 9.006 -0.202 1
1 530 . 17 1 1 A 54 54 GLU HA H 54 3.745 3.979 -0.234 1
1 534 . 17 1 1 A 54 54 GLU C C 54 178.467 178.552 -0.085 1
1 535 . 17 1 1 A 54 54 GLU CA C 54 59.833 59.810 0.023 1
1 536 . 17 1 1 A 54 54 GLU CB C 54 29.238 29.509 -0.271 1
1 538 . 17 1 1 A 54 54 GLU N N 54 120.472 119.921 0.551 1
1 539 . 17 1 1 A 55 55 ALA H H 55 8.098 8.084 0.014 1
1 540 . 17 1 1 A 55 55 ALA HA H 55 4.249 4.182 0.067 1
1 544 . 17 1 1 A 55 55 ALA C C 55 180.711 179.615 1.096 1
1 545 . 17 1 1 A 55 55 ALA CA C 55 55.077 54.926 0.151 1
1 546 . 17 1 1 A 55 55 ALA CB C 55 18.164 18.226 -0.062 1
1 547 . 17 1 1 A 55 55 ALA N N 55 119.302 122.554 -3.252 1
1 548 . 17 1 1 A 56 56 HIS H H 56 7.927 7.755 0.172 1
1 549 . 17 1 1 A 56 56 HIS HA H 56 4.281 4.277 0.004 1
1 553 . 17 1 1 A 56 56 HIS C C 56 176.342 177.091 -0.749 1
1 554 . 17 1 1 A 56 56 HIS CA C 56 59.362 59.160 0.202 1
1 555 . 17 1 1 A 56 56 HIS CB C 56 31.200 29.688 1.512 1
1 556 . 17 1 1 A 56 56 HIS N N 56 117.016 117.983 -0.967 1
1 557 . 17 1 1 A 57 57 PHE H H 57 7.811 8.261 -0.450 1
1 558 . 17 1 1 A 57 57 PHE HA H 57 4.554 4.387 0.167 1
1 565 . 17 1 1 A 57 57 PHE C C 57 177.301 177.917 -0.616 1
1 566 . 17 1 1 A 57 57 PHE CA C 57 59.480 61.882 -2.402 1
1 567 . 17 1 1 A 57 57 PHE CB C 57 40.432 38.739 1.693 1
1 571 . 17 1 1 A 57 57 PHE N N 57 111.423 116.215 -4.792 1
1 572 . 17 1 1 A 58 58 SER H H 58 8.126 8.220 -0.094 1
1 573 . 17 1 1 A 58 58 SER HA H 58 4.468 4.538 -0.070 1
1 575 . 17 1 1 A 58 58 SER C C 58 176.676 177.275 -0.599 1
1 576 . 17 1 1 A 58 58 SER CA C 58 62.159 61.333 0.826 1
1 577 . 17 1 1 A 58 58 SER N N 58 118.439 116.056 2.383 1
1 578 . 17 1 1 A 59 59 SER H H 59 8.422 7.676 0.746 1
1 579 . 17 1 1 A 59 59 SER HA H 59 4.291 4.210 0.081 1
1 581 . 17 1 1 A 59 59 SER C C 59 175.955 175.476 0.479 1
1 582 . 17 1 1 A 59 59 SER CA C 59 60.277 61.209 -0.932 1
1 583 . 17 1 1 A 59 59 SER CB C 59 62.444 62.926 -0.482 1
1 584 . 17 1 1 A 59 59 SER N N 59 116.618 116.660 -0.042 1
1 585 . 17 1 1 A 60 60 CYS H H 60 8.226 7.917 0.309 1
1 586 . 17 1 1 A 60 60 CYS HA H 60 4.067 4.528 -0.461 1
1 589 . 17 1 1 A 60 60 CYS C C 60 174.682 174.437 0.245 1
1 590 . 17 1 1 A 60 60 CYS CA C 60 60.683 59.583 1.100 1
1 591 . 17 1 1 A 60 60 CYS CB C 60 28.894 28.666 0.228 1
1 592 . 17 1 1 A 60 60 CYS N N 60 118.900 117.562 1.338 1
1 593 . 17 1 1 A 61 61 GLY H H 61 7.414 7.295 0.119 1
1 594 . 17 1 1 A 61 61 GLY HA2 H 61 3.887 4.096 -0.209 1
1 595 . 17 1 1 A 61 61 GLY HA3 H 61 4.489 4.103 0.386 1
1 596 . 17 1 1 A 61 61 GLY C C 61 171.619 172.177 -0.558 1
1 597 . 17 1 1 A 61 61 GLY CA C 61 44.000 45.650 -1.650 1
1 598 . 17 1 1 A 61 61 GLY N N 61 106.320 108.870 -2.550 1
1 599 . 17 1 1 A 62 62 SER H H 62 8.182 8.567 -0.385 1
1 600 . 17 1 1 A 62 62 SER HA H 62 4.420 5.288 -0.868 1
1 603 . 17 1 1 A 62 62 SER C C 62 175.295 174.231 1.064 1
1 604 . 17 1 1 A 62 62 SER CA C 62 59.839 58.388 1.451 1
1 605 . 17 1 1 A 62 62 SER CB C 62 63.617 64.430 -0.813 1
1 606 . 17 1 1 A 62 62 SER N N 62 112.485 117.392 -4.907 1
1 607 . 17 1 1 A 63 63 ILE H H 63 8.857 9.081 -0.224 1
1 608 . 17 1 1 A 63 63 ILE HA H 63 4.007 4.289 -0.282 1
1 618 . 17 1 1 A 63 63 ILE C C 63 175.045 175.668 -0.623 1
1 619 . 17 1 1 A 63 63 ILE CA C 63 61.979 60.983 0.996 1
1 620 . 17 1 1 A 63 63 ILE CB C 63 41.048 38.080 2.968 1
1 624 . 17 1 1 A 63 63 ILE N N 63 127.966 126.377 1.589 1
1 625 . 17 1 1 A 64 64 ASN H H 64 8.897 8.998 -0.101 1
1 626 . 17 1 1 A 64 64 ASN HA H 64 4.667 4.856 -0.189 1
1 631 . 17 1 1 A 64 64 ASN C C 64 174.686 175.507 -0.821 1
1 632 . 17 1 1 A 64 64 ASN CA C 64 53.627 55.203 -1.576 1
1 633 . 17 1 1 A 64 64 ASN CB C 64 40.062 40.347 -0.285 1
1 634 . 17 1 1 A 64 64 ASN N N 64 124.997 125.859 -0.862 1
1 636 . 17 1 1 A 65 65 ARG H H 65 7.419 7.330 0.089 1
1 637 . 17 1 1 A 65 65 ARG HA H 65 5.155 4.886 0.269 1
1 645 . 17 1 1 A 65 65 ARG C C 65 173.788 174.314 -0.526 1
1 646 . 17 1 1 A 65 65 ARG CA C 65 55.703 54.772 0.931 1
1 647 . 17 1 1 A 65 65 ARG CB C 65 35.408 35.019 0.389 1
1 650 . 17 1 1 A 65 65 ARG N N 65 116.737 116.570 0.167 1
1 652 . 17 1 1 A 66 66 ILE H H 66 8.681 8.642 0.039 1
1 653 . 17 1 1 A 66 66 ILE HA H 66 4.574 5.205 -0.631 1
1 663 . 17 1 1 A 66 66 ILE C C 66 173.717 174.194 -0.477 1
1 664 . 17 1 1 A 66 66 ILE CA C 66 61.049 59.083 1.966 1
1 665 . 17 1 1 A 66 66 ILE CB C 66 42.988 42.304 0.684 1
1 669 . 17 1 1 A 66 66 ILE N N 66 123.359 117.344 6.015 1
1 670 . 17 1 1 A 67 67 THR H H 67 8.861 8.891 -0.030 1
1 671 . 17 1 1 A 67 67 THR HA H 67 5.378 5.160 0.218 1
1 676 . 17 1 1 A 67 67 THR C C 67 173.526 173.511 0.015 1
1 677 . 17 1 1 A 67 67 THR CA C 67 61.112 61.720 -0.608 1
1 678 . 17 1 1 A 67 67 THR CB C 67 70.857 70.705 0.152 1
1 680 . 17 1 1 A 67 67 THR N N 67 124.375 118.466 5.909 1
1 681 . 17 1 1 A 68 68 ILE H H 68 9.768 9.098 0.670 1
1 682 . 17 1 1 A 68 68 ILE HA H 68 4.333 4.796 -0.463 1
1 692 . 17 1 1 A 68 68 ILE C C 68 173.743 174.874 -1.131 1
1 693 . 17 1 1 A 68 68 ILE CA C 68 61.237 60.037 1.200 1
1 694 . 17 1 1 A 68 68 ILE CB C 68 40.908 40.753 0.155 1
1 698 . 17 1 1 A 68 68 ILE N N 68 127.340 127.251 0.089 1
1 699 . 17 1 1 A 69 69 LEU H H 69 9.045 9.512 -0.467 1
1 700 . 17 1 1 A 69 69 LEU HA H 69 5.074 5.112 -0.038 1
1 710 . 17 1 1 A 69 69 LEU C C 69 175.502 175.234 0.268 1
1 711 . 17 1 1 A 69 69 LEU CA C 69 55.186 53.072 2.114 1
1 712 . 17 1 1 A 69 69 LEU CB C 69 42.702 44.372 -1.670 1
1 716 . 17 1 1 A 69 69 LEU N N 69 128.686 125.846 2.840 1
1 717 . 17 1 1 A 70 70 CYS H H 70 8.767 8.984 -0.217 1
1 718 . 17 1 1 A 70 70 CYS HA H 70 5.237 5.701 -0.464 1
1 720 . 17 1 1 A 70 70 CYS C C 70 173.558 173.283 0.275 1
1 721 . 17 1 1 A 70 70 CYS CA C 70 57.609 56.969 0.640 1
1 722 . 17 1 1 A 70 70 CYS CB C 70 29.830 29.458 0.372 1
1 723 . 17 1 1 A 70 70 CYS N N 70 120.856 121.999 -1.143 1
1 724 . 17 1 1 A 71 71 ASP H H 71 9.109 9.479 -0.370 1
1 725 . 17 1 1 A 71 71 ASP HA H 71 5.193 5.563 -0.370 1
1 728 . 17 1 1 A 71 71 ASP C C 71 175.440 175.633 -0.193 1
1 729 . 17 1 1 A 71 71 ASP CA C 71 53.705 52.213 1.492 1
1 730 . 17 1 1 A 71 71 ASP CB C 71 44.774 44.640 0.134 1
1 731 . 17 1 1 A 71 71 ASP N N 71 124.936 123.538 1.398 1
1 732 . 17 1 1 A 72 72 LYS H H 72 8.262 8.612 -0.350 1
1 733 . 17 1 1 A 72 72 LYS HA H 72 4.553 4.530 0.023 1
1 740 . 17 1 1 A 72 72 LYS C C 72 177.732 176.976 0.756 1
1 741 . 17 1 1 A 72 72 LYS CA C 72 55.608 55.611 -0.003 1
1 742 . 17 1 1 A 72 72 LYS CB C 72 32.469 33.558 -1.089 1
1 745 . 17 1 1 A 72 72 LYS N N 72 120.339 122.650 -2.311 1
1 746 . 17 1 1 A 73 73 PHE H H 73 8.663 8.477 0.186 1
1 747 . 17 1 1 A 73 73 PHE HA H 73 4.357 4.386 -0.029 1
1 752 . 17 1 1 A 73 73 PHE C C 73 177.148 176.493 0.655 1
1 753 . 17 1 1 A 73 73 PHE CA C 73 60.214 59.680 0.534 1
1 754 . 17 1 1 A 73 73 PHE CB C 73 39.157 37.581 1.576 1
1 756 . 17 1 1 A 73 73 PHE N N 73 121.961 119.233 2.728 1
1 757 . 17 1 1 A 74 74 SER H H 74 8.780 7.324 1.456 1
1 758 . 17 1 1 A 74 74 SER HA H 74 4.353 4.474 -0.121 1
1 760 . 17 1 1 A 74 74 SER C C 74 174.810 174.620 0.190 1
1 761 . 17 1 1 A 74 74 SER CA C 74 58.965 58.373 0.592 1
1 762 . 17 1 1 A 74 74 SER CB C 74 63.650 63.356 0.294 1
1 763 . 17 1 1 A 74 74 SER N N 74 114.021 115.232 -1.211 1
1 764 . 17 1 1 A 75 75 GLY H H 75 8.004 8.355 -0.351 1
1 765 . 17 1 1 A 75 75 GLY HA2 H 75 3.635 3.906 -0.271 1
1 766 . 17 1 1 A 75 75 GLY HA3 H 75 4.221 3.911 0.310 1
1 767 . 17 1 1 A 75 75 GLY C C 75 173.254 173.834 -0.580 1
1 768 . 17 1 1 A 75 75 GLY CA C 75 45.162 45.517 -0.355 1
1 769 . 17 1 1 A 75 75 GLY N N 75 108.714 109.430 -0.716 1
1 770 . 17 1 1 A 76 76 HIS H H 76 7.670 7.941 -0.271 1
1 771 . 17 1 1 A 76 76 HIS HA H 76 5.020 4.654 0.366 1
1 775 . 17 1 1 A 76 76 HIS CA C 76 52.522 54.014 -1.492 1
1 776 . 17 1 1 A 76 76 HIS CB C 76 29.410 30.492 -1.082 1
1 777 . 17 1 1 A 76 76 HIS N N 76 118.164 119.157 -0.993 1
1 778 . 17 1 1 A 77 77 PRO HA H 77 4.551 5.163 -0.612 1
1 784 . 17 1 1 A 77 77 PRO C C 77 176.458 176.336 0.122 1
1 785 . 17 1 1 A 77 77 PRO CA C 77 63.263 62.731 0.532 1
1 786 . 17 1 1 A 77 77 PRO CB C 77 32.077 31.581 0.496 1
1 789 . 17 1 1 A 78 78 LYS H H 78 8.846 9.300 -0.454 1
1 790 . 17 1 1 A 78 78 LYS HA H 78 4.772 4.997 -0.225 1
1 796 . 17 1 1 A 78 78 LYS CA C 78 55.964 54.747 1.217 1
1 797 . 17 1 1 A 78 78 LYS CB C 78 35.816 34.883 0.933 1
1 799 . 17 1 1 A 78 78 LYS N N 78 124.197 122.204 1.993 1
1 800 . 17 1 1 A 79 79 GLY H H 79 8.352 8.471 -0.119 1
1 801 . 17 1 1 A 79 79 GLY HA2 H 79 3.871 4.316 -0.445 1
1 802 . 17 1 1 A 79 79 GLY HA3 H 79 5.451 4.331 1.120 1
1 803 . 17 1 1 A 79 79 GLY C C 79 173.400 171.989 1.411 1
1 804 . 17 1 1 A 79 79 GLY CA C 79 45.189 45.801 -0.612 1
1 805 . 17 1 1 A 79 79 GLY N N 79 109.568 108.215 1.353 1
1 806 . 17 1 1 A 80 80 TYR H H 80 8.856 9.064 -0.208 1
1 807 . 17 1 1 A 80 80 TYR HA H 80 4.940 5.354 -0.414 1
1 814 . 17 1 1 A 80 80 TYR C C 80 171.720 172.777 -1.057 1
1 815 . 17 1 1 A 80 80 TYR CA C 80 56.267 56.287 -0.020 1
1 816 . 17 1 1 A 80 80 TYR CB C 80 40.003 41.967 -1.964 1
1 818 . 17 1 1 A 80 80 TYR N N 80 120.052 116.652 3.400 1
1 819 . 17 1 1 A 81 81 ALA H H 81 9.215 9.189 0.026 1
1 820 . 17 1 1 A 81 81 ALA HA H 81 5.386 5.623 -0.237 1
1 824 . 17 1 1 A 81 81 ALA C C 81 175.357 175.387 -0.030 1
1 825 . 17 1 1 A 81 81 ALA CA C 81 50.089 50.359 -0.270 1
1 826 . 17 1 1 A 81 81 ALA CB C 81 24.030 23.562 0.468 1
1 827 . 17 1 1 A 81 81 ALA N N 81 120.138 122.339 -2.201 1
1 828 . 17 1 1 A 82 82 TYR H H 82 8.974 9.355 -0.381 1
1 829 . 17 1 1 A 82 82 TYR HA H 82 5.885 5.442 0.443 1
1 836 . 17 1 1 A 82 82 TYR C C 82 176.232 174.563 1.669 1
1 837 . 17 1 1 A 82 82 TYR CA C 82 55.626 56.715 -1.089 1
1 838 . 17 1 1 A 82 82 TYR CB C 82 41.536 41.360 0.176 1
1 839 . 17 1 1 A 82 82 TYR N N 82 114.621 117.895 -3.274 1
1 840 . 17 1 1 A 83 83 ILE H H 83 8.644 8.536 0.108 1
1 841 . 17 1 1 A 83 83 ILE HA H 83 4.275 4.570 -0.295 1
1 851 . 17 1 1 A 83 83 ILE C C 83 173.516 174.187 -0.671 1
1 852 . 17 1 1 A 83 83 ILE CA C 83 60.345 59.764 0.581 1
1 853 . 17 1 1 A 83 83 ILE CB C 83 39.535 38.972 0.563 1
1 857 . 17 1 1 A 83 83 ILE N N 83 122.447 123.934 -1.487 1
1 858 . 17 1 1 A 84 84 GLU H H 84 8.612 9.063 -0.451 1
1 859 . 17 1 1 A 84 84 GLU HA H 84 4.801 4.749 0.052 1
1 862 . 17 1 1 A 84 84 GLU C C 84 176.111 175.245 0.866 1
1 863 . 17 1 1 A 84 84 GLU CA C 84 54.496 54.271 0.225 1
1 864 . 17 1 1 A 84 84 GLU CB C 84 31.499 31.474 0.025 1
1 865 . 17 1 1 A 84 84 GLU N N 84 127.346 127.704 -0.358 1
1 866 . 17 1 1 A 85 85 PHE H H 85 9.087 9.196 -0.109 1
1 867 . 17 1 1 A 85 85 PHE HA H 85 4.817 4.925 -0.108 1
1 875 . 17 1 1 A 85 85 PHE C C 85 174.422 176.813 -2.391 1
1 876 . 17 1 1 A 85 85 PHE CA C 85 59.072 57.700 1.372 1
1 877 . 17 1 1 A 85 85 PHE CB C 85 40.765 41.397 -0.632 1
1 878 . 17 1 1 A 85 85 PHE N N 85 128.049 125.473 2.576 1
1 879 . 17 1 1 A 86 86 ALA H H 86 8.192 9.515 -1.323 1
1 880 . 17 1 1 A 86 86 ALA HA H 86 4.239 4.257 -0.018 1
1 884 . 17 1 1 A 86 86 ALA C C 86 178.143 177.785 0.358 1
1 885 . 17 1 1 A 86 86 ALA CA C 86 54.524 54.594 -0.070 1
1 886 . 17 1 1 A 86 86 ALA CB C 86 19.510 19.404 0.106 1
1 887 . 17 1 1 A 86 86 ALA N N 86 120.669 123.416 -2.747 1
1 888 . 17 1 1 A 87 87 GLU H H 87 8.455 8.160 0.295 1
1 889 . 17 1 1 A 87 87 GLU HA H 87 4.765 4.736 0.029 1
1 893 . 17 1 1 A 87 87 GLU C C 87 176.472 176.492 -0.020 1
1 894 . 17 1 1 A 87 87 GLU CA C 87 54.353 55.029 -0.676 1
1 895 . 17 1 1 A 87 87 GLU CB C 87 32.624 32.166 0.458 1
1 897 . 17 1 1 A 87 87 GLU N N 87 114.204 117.155 -2.951 1
1 898 . 17 1 1 A 88 88 ARG H H 88 8.917 9.054 -0.137 1
1 899 . 17 1 1 A 88 88 ARG HA H 88 3.961 3.986 -0.025 1
1 905 . 17 1 1 A 88 88 ARG C C 88 178.900 177.843 1.057 1
1 906 . 17 1 1 A 88 88 ARG CA C 88 59.548 59.104 0.444 1
1 907 . 17 1 1 A 88 88 ARG CB C 88 30.073 30.039 0.034 1
1 910 . 17 1 1 A 88 88 ARG N N 88 121.592 124.307 -2.715 1
1 911 . 17 1 1 A 89 89 ASN H H 89 8.845 8.192 0.653 1
1 912 . 17 1 1 A 89 89 ASN HA H 89 4.497 4.697 -0.200 1
1 916 . 17 1 1 A 89 89 ASN C C 89 177.179 177.197 -0.018 1
1 917 . 17 1 1 A 89 89 ASN CA C 89 55.861 55.505 0.356 1
1 918 . 17 1 1 A 89 89 ASN CB C 89 37.330 37.756 -0.426 1
1 919 . 17 1 1 A 89 89 ASN N N 89 116.555 116.329 0.226 1
1 921 . 17 1 1 A 90 90 SER H H 90 7.513 7.650 -0.137 1
1 922 . 17 1 1 A 90 90 SER HA H 90 4.006 4.241 -0.235 1
1 925 . 17 1 1 A 90 90 SER C C 90 174.511 175.792 -1.281 1
1 926 . 17 1 1 A 90 90 SER CA C 90 61.395 62.258 -0.863 1
1 927 . 17 1 1 A 90 90 SER CB C 90 63.424 62.696 0.728 1
1 928 . 17 1 1 A 90 90 SER N N 90 116.007 117.035 -1.028 1
1 929 . 17 1 1 A 91 91 VAL H H 91 7.653 7.624 0.029 1
1 930 . 17 1 1 A 91 91 VAL HA H 91 3.201 3.498 -0.297 1
1 938 . 17 1 1 A 91 91 VAL C C 91 176.991 177.721 -0.730 1
1 939 . 17 1 1 A 91 91 VAL CA C 91 66.851 65.285 1.566 1
1 940 . 17 1 1 A 91 91 VAL CB C 91 31.599 31.585 0.014 1
1 943 . 17 1 1 A 91 91 VAL N N 91 119.934 119.196 0.738 1
1 944 . 17 1 1 A 92 92 ASP H H 92 7.192 7.934 -0.742 1
1 945 . 17 1 1 A 92 92 ASP HA H 92 4.321 4.304 0.017 1
1 947 . 17 1 1 A 92 92 ASP C C 92 178.585 178.603 -0.018 1
1 948 . 17 1 1 A 92 92 ASP CA C 92 57.401 57.331 0.070 1
1 949 . 17 1 1 A 92 92 ASP CB C 92 40.078 40.171 -0.093 1
1 950 . 17 1 1 A 92 92 ASP N N 92 117.084 122.239 -5.155 1
1 951 . 17 1 1 A 93 93 ALA H H 93 6.946 7.766 -0.820 1
1 952 . 17 1 1 A 93 93 ALA HA H 93 4.186 4.192 -0.006 1
1 956 . 17 1 1 A 93 93 ALA C C 93 179.272 179.939 -0.667 1
1 957 . 17 1 1 A 93 93 ALA CA C 93 54.445 54.683 -0.238 1
1 958 . 17 1 1 A 93 93 ALA CB C 93 18.164 18.222 -0.058 1
1 959 . 17 1 1 A 93 93 ALA N N 93 121.045 122.364 -1.319 1
1 960 . 17 1 1 A 94 94 ALA H H 94 8.033 7.822 0.211 1
1 961 . 17 1 1 A 94 94 ALA HA H 94 4.545 4.257 0.288 1
1 965 . 17 1 1 A 94 94 ALA C C 94 180.529 179.589 0.940 1
1 966 . 17 1 1 A 94 94 ALA CA C 94 55.518 55.168 0.350 1
1 967 . 17 1 1 A 94 94 ALA CB C 94 19.455 18.476 0.979 1
1 968 . 17 1 1 A 94 94 ALA N N 94 122.191 120.613 1.578 1
1 969 . 17 1 1 A 95 95 VAL H H 95 8.565 8.621 -0.056 1
1 970 . 17 1 1 A 95 95 VAL HA H 95 3.741 3.928 -0.187 1
1 978 . 17 1 1 A 95 95 VAL C C 95 178.767 177.811 0.956 1
1 979 . 17 1 1 A 95 95 VAL CA C 95 65.820 64.800 1.020 1
1 980 . 17 1 1 A 95 95 VAL CB C 95 31.501 31.466 0.035 1
1 983 . 17 1 1 A 95 95 VAL N N 95 117.405 116.542 0.863 1
1 984 . 17 1 1 A 96 96 ALA H H 96 7.354 7.990 -0.636 1
1 985 . 17 1 1 A 96 96 ALA HA H 96 4.403 4.228 0.175 1
1 989 . 17 1 1 A 96 96 ALA C C 96 178.242 178.195 0.047 1
1 990 . 17 1 1 A 96 96 ALA CA C 96 53.916 53.913 0.003 1
1 991 . 17 1 1 A 96 96 ALA CB C 96 17.841 18.365 -0.524 1
1 992 . 17 1 1 A 96 96 ALA N N 96 122.769 123.714 -0.945 1
1 993 . 17 1 1 A 97 97 MET H H 97 7.980 7.901 0.079 1
1 994 . 17 1 1 A 97 97 MET HA H 97 4.471 4.781 -0.310 1
1 1002 . 17 1 1 A 97 97 MET C C 97 175.959 176.461 -0.502 1
1 1003 . 17 1 1 A 97 97 MET CA C 97 55.150 54.554 0.596 1
1 1004 . 17 1 1 A 97 97 MET CB C 97 31.663 33.232 -1.569 1
1 1007 . 17 1 1 A 97 97 MET N N 97 115.573 116.404 -0.831 1
1 1008 . 17 1 1 A 98 98 ASP H H 98 7.852 8.472 -0.620 1
1 1009 . 17 1 1 A 98 98 ASP HA H 98 4.422 4.416 0.006 1
1 1012 . 17 1 1 A 98 98 ASP C C 98 175.976 176.549 -0.573 1
1 1013 . 17 1 1 A 98 98 ASP CA C 98 57.476 56.763 0.713 1
1 1014 . 17 1 1 A 98 98 ASP CB C 98 42.008 40.358 1.650 1
1 1015 . 17 1 1 A 98 98 ASP N N 98 121.576 120.189 1.387 1
1 1016 . 17 1 1 A 99 99 GLU H H 99 8.643 7.813 0.830 1
1 1017 . 17 1 1 A 99 99 GLU HA H 99 4.154 4.713 -0.559 1
1 1022 . 17 1 1 A 99 99 GLU C C 99 176.369 174.948 1.421 1
1 1023 . 17 1 1 A 99 99 GLU CA C 99 58.403 55.138 3.265 1
1 1024 . 17 1 1 A 99 99 GLU CB C 99 26.214 30.481 -4.267 1
1 1026 . 17 1 1 A 99 99 GLU N N 99 119.455 119.129 0.326 1
1 1027 . 17 1 1 A 100 100 THR H H 100 7.416 8.412 -0.996 1
1 1028 . 17 1 1 A 100 100 THR HA H 100 4.498 5.223 -0.725 1
1 1033 . 17 1 1 A 100 100 THR C C 100 172.876 172.345 0.531 1
1 1034 . 17 1 1 A 100 100 THR CA C 100 61.065 59.946 1.119 1
1 1035 . 17 1 1 A 100 100 THR CB C 100 72.140 73.077 -0.937 1
1 1037 . 17 1 1 A 100 100 THR N N 100 107.670 116.901 -9.231 1
1 1038 . 17 1 1 A 101 101 VAL H H 101 8.252 8.888 -0.636 1
1 1039 . 17 1 1 A 101 101 VAL HA H 101 4.638 5.337 -0.699 1
1 1047 . 17 1 1 A 101 101 VAL C C 101 176.138 173.518 2.620 1
1 1048 . 17 1 1 A 101 101 VAL CA C 101 62.299 59.354 2.945 1
1 1049 . 17 1 1 A 101 101 VAL CB C 101 32.215 34.577 -2.362 1
1 1052 . 17 1 1 A 101 101 VAL N N 101 118.227 121.214 -2.987 1
1 1053 . 17 1 1 A 102 102 PHE H H 102 9.300 9.618 -0.318 1
1 1054 . 17 1 1 A 102 102 PHE HA H 102 4.671 4.867 -0.196 1
1 1061 . 17 1 1 A 102 102 PHE C C 102 174.216 174.870 -0.654 1
1 1062 . 17 1 1 A 102 102 PHE CA C 102 56.205 57.235 -1.030 1
1 1063 . 17 1 1 A 102 102 PHE CB C 102 41.707 41.958 -0.251 1
1 1064 . 17 1 1 A 102 102 PHE N N 102 128.863 129.652 -0.789 1
1 1065 . 17 1 1 A 103 103 ARG H H 103 9.167 8.835 0.332 1
1 1066 . 17 1 1 A 103 103 ARG HA H 103 3.389 3.774 -0.385 1
1 1075 . 17 1 1 A 103 103 ARG C C 103 176.014 175.261 0.753 1
1 1076 . 17 1 1 A 103 103 ARG CA C 103 57.215 56.876 0.339 1
1 1077 . 17 1 1 A 103 103 ARG CB C 103 27.382 28.884 -1.502 1
1 1080 . 17 1 1 A 103 103 ARG N N 103 128.268 126.785 1.483 1
1 1082 . 17 1 1 A 104 104 GLY H H 104 8.005 8.482 -0.477 1
1 1083 . 17 1 1 A 104 104 GLY HA2 H 104 4.006 3.826 0.180 1
1 1084 . 17 1 1 A 104 104 GLY HA3 H 104 3.455 3.830 -0.375 1
1 1085 . 17 1 1 A 104 104 GLY C C 104 173.766 173.737 0.029 1
1 1086 . 17 1 1 A 104 104 GLY CA C 104 45.598 45.316 0.282 1
1 1087 . 17 1 1 A 104 104 GLY N N 104 101.324 104.983 -3.659 1
1 1088 . 17 1 1 A 105 105 ARG H H 105 7.681 8.028 -0.347 1
1 1089 . 17 1 1 A 105 105 ARG HA H 105 4.735 4.650 0.085 1
1 1097 . 17 1 1 A 105 105 ARG C C 105 174.543 175.464 -0.921 1
1 1098 . 17 1 1 A 105 105 ARG CA C 105 54.071 54.648 -0.577 1
1 1099 . 17 1 1 A 105 105 ARG CB C 105 33.159 32.167 0.992 1
1 1102 . 17 1 1 A 105 105 ARG N N 105 119.837 120.481 -0.644 1
1 1104 . 17 1 1 A 106 106 THR H H 106 8.604 8.660 -0.056 1
1 1105 . 17 1 1 A 106 106 THR HA H 106 4.593 4.845 -0.252 1
1 1110 . 17 1 1 A 106 106 THR C C 106 175.643 174.434 1.209 1
1 1111 . 17 1 1 A 106 106 THR CA C 106 62.821 63.185 -0.364 1
1 1112 . 17 1 1 A 106 106 THR CB C 106 68.784 69.173 -0.389 1
1 1114 . 17 1 1 A 106 106 THR N N 106 118.251 116.656 1.595 1
1 1115 . 17 1 1 A 107 107 ILE H H 107 8.756 8.884 -0.128 1
1 1116 . 17 1 1 A 107 107 ILE HA H 107 4.884 5.120 -0.236 1
1 1126 . 17 1 1 A 107 107 ILE C C 107 174.877 174.319 0.558 1
1 1127 . 17 1 1 A 107 107 ILE CA C 107 60.834 58.990 1.844 1
1 1128 . 17 1 1 A 107 107 ILE CB C 107 40.644 40.193 0.451 1
1 1132 . 17 1 1 A 107 107 ILE N N 107 123.422 123.746 -0.324 1
1 1133 . 17 1 1 A 108 108 LYS H H 108 7.412 8.162 -0.750 1
1 1134 . 17 1 1 A 108 108 LYS HA H 108 5.524 5.778 -0.254 1
1 1141 . 17 1 1 A 108 108 LYS C C 108 175.839 174.683 1.156 1
1 1142 . 17 1 1 A 108 108 LYS CA C 108 52.172 54.863 -2.691 1
1 1143 . 17 1 1 A 108 108 LYS CB C 108 33.947 36.121 -2.174 1
1 1147 . 17 1 1 A 108 108 LYS N N 108 121.402 121.935 -0.533 1
1 1148 . 17 1 1 A 109 109 VAL H H 109 9.467 8.840 0.627 1
1 1149 . 17 1 1 A 109 109 VAL HA H 109 5.410 5.824 -0.414 1
1 1157 . 17 1 1 A 109 109 VAL C C 109 174.514 175.001 -0.487 1
1 1158 . 17 1 1 A 109 109 VAL CA C 109 61.258 60.311 0.947 1
1 1159 . 17 1 1 A 109 109 VAL CB C 109 34.289 34.516 -0.227 1
1 1162 . 17 1 1 A 109 109 VAL N N 109 125.530 120.478 5.052 1
1 1163 . 17 1 1 A 110 110 LEU H H 110 9.081 8.767 0.314 1
1 1164 . 17 1 1 A 110 110 LEU HA H 110 5.109 5.106 0.003 1
1 1173 . 17 1 1 A 110 110 LEU CA C 110 51.660 50.941 0.719 1
1 1174 . 17 1 1 A 110 110 LEU CB C 110 46.037 44.796 1.241 1
1 1178 . 17 1 1 A 110 110 LEU N N 110 125.323 123.318 2.005 1
1 1179 . 17 1 1 A 111 111 PRO HA H 111 4.539 4.854 -0.315 1
1 1186 . 17 1 1 A 111 111 PRO C C 111 176.222 175.999 0.223 1
1 1187 . 17 1 1 A 111 111 PRO CA C 111 63.390 63.102 0.288 1
1 1188 . 17 1 1 A 111 111 PRO CB C 111 31.697 32.390 -0.693 1
1 1191 . 17 1 1 A 112 112 LYS H H 112 8.121 8.948 -0.827 1
1 1192 . 17 1 1 A 112 112 LYS HA H 112 4.113 4.866 -0.753 1
1 1199 . 17 1 1 A 112 112 LYS C C 112 175.830 176.277 -0.447 1
1 1200 . 17 1 1 A 112 112 LYS CA C 112 58.405 54.608 3.797 1
1 1201 . 17 1 1 A 112 112 LYS CB C 112 33.746 36.971 -3.225 1
1 1204 . 17 1 1 A 112 112 LYS N N 112 124.317 121.823 2.494 1
1 1205 . 17 1 1 A 113 113 ARG H H 113 8.228 8.486 -0.258 1
1 1206 . 17 1 1 A 113 113 ARG HA H 113 4.451 4.510 -0.059 1
1 1211 . 17 1 1 A 113 113 ARG C C 113 175.758 177.072 -1.314 1
1 1212 . 17 1 1 A 113 113 ARG CA C 113 55.468 56.365 -0.897 1
1 1213 . 17 1 1 A 113 113 ARG CB C 113 31.550 31.749 -0.199 1
1 1215 . 17 1 1 A 113 113 ARG N N 113 121.228 121.868 -0.640 1
1 1216 . 17 1 1 A 114 114 THR H H 114 8.138 8.164 -0.026 1
1 1217 . 17 1 1 A 114 114 THR HA H 114 4.264 3.881 0.383 1
1 1222 . 17 1 1 A 114 114 THR C C 114 174.043 173.592 0.451 1
1 1223 . 17 1 1 A 114 114 THR CA C 114 62.229 65.877 -3.648 1
1 1224 . 17 1 1 A 114 114 THR CB C 114 69.682 67.257 2.425 1
1 1226 . 17 1 1 A 114 114 THR N N 114 116.384 110.995 5.389 1
1 1227 . 17 1 1 A 115 115 ASN H H 115 8.406 8.473 -0.067 1
1 1228 . 17 1 1 A 115 115 ASN HA H 115 4.682 4.949 -0.267 1
1 1233 . 17 1 1 A 115 115 ASN C C 115 174.513 175.349 -0.836 1
1 1234 . 17 1 1 A 115 115 ASN CA C 115 53.242 54.018 -0.776 1
1 1235 . 17 1 1 A 115 115 ASN CB C 115 38.888 41.169 -2.281 1
1 1236 . 17 1 1 A 115 115 ASN N N 115 120.871 117.407 3.464 1
1 1238 . 17 1 1 A 116 116 MET H H 116 8.138 8.188 -0.050 1
1 1239 . 17 1 1 A 116 116 MET CA C 116 53.400 56.251 -2.851 1
1 1240 . 17 1 1 A 116 116 MET CB C 116 32.829 31.229 1.600 1
1 1241 . 17 1 1 A 116 116 MET N N 116 121.611 116.833 4.778 1
1 1242 . 17 1 1 A 117 117 PRO HA H 117 4.428 4.292 0.136 1
1 1245 . 17 1 1 A 117 117 PRO C C 117 175.935 177.393 -1.458 1
1 1246 . 17 1 1 A 117 117 PRO CA C 117 63.489 65.835 -2.346 1
1 1247 . 17 1 1 A 117 117 PRO CB C 117 32.105 31.046 1.059 1
1 1248 . 17 1 1 A 118 118 GLY H H 118 8.411 7.376 1.035 1
1 1249 . 17 1 1 A 118 118 GLY HA2 H 118 3.927 4.048 -0.121 1
1 1250 . 17 1 1 A 118 118 GLY HA3 H 118 4.389 4.049 0.340 1
1 1251 . 17 1 1 A 118 118 GLY C C 118 174.117 171.302 2.815 1
1 1252 . 17 1 1 A 118 118 GLY CA C 118 45.470 45.420 0.050 1
1 1253 . 17 1 1 A 118 118 GLY N N 118 109.241 102.037 7.204 1
1 1254 . 17 1 1 A 119 119 ILE H H 119 7.825 8.353 -0.528 1
1 1255 . 17 1 1 A 119 119 ILE HA H 119 4.234 4.554 -0.320 1
1 1265 . 17 1 1 A 119 119 ILE C C 119 176.261 174.448 1.813 1
1 1266 . 17 1 1 A 119 119 ILE CA C 119 61.029 59.663 1.366 1
1 1267 . 17 1 1 A 119 119 ILE CB C 119 38.878 40.399 -1.521 1
1 1270 . 17 1 1 A 119 119 ILE N N 119 119.504 119.570 -0.066 1
1 1271 . 17 1 1 A 120 120 SER H H 120 8.397 8.682 -0.285 1
1 1272 . 17 1 1 A 120 120 SER HA H 120 4.534 4.580 -0.046 1
1 1274 . 17 1 1 A 120 120 SER C C 120 174.692 173.757 0.935 1
1 1275 . 17 1 1 A 120 120 SER CA C 120 58.150 58.362 -0.212 1
1 1276 . 17 1 1 A 120 120 SER CB C 120 63.997 62.370 1.627 1
1 1277 . 17 1 1 A 120 120 SER N N 120 119.359 120.567 -1.208 1
1 1278 . 17 1 1 A 121 121 SER H H 121 8.371 7.995 0.376 1
1 1279 . 17 1 1 A 121 121 SER HA H 121 4.360 4.567 -0.207 1
1 1280 . 17 1 1 A 121 121 SER C C 121 174.809 174.654 0.155 1
1 1281 . 17 1 1 A 121 121 SER CA C 121 58.656 59.735 -1.079 1
1 1282 . 17 1 1 A 121 121 SER CB C 121 63.795 63.676 0.119 1
1 1283 . 17 1 1 A 121 121 SER N N 121 118.036 122.096 -4.060 1
1 1284 . 17 1 1 A 122 122 THR H H 122 8.100 8.518 -0.418 1
1 1285 . 17 1 1 A 122 122 THR C C 122 174.254 172.389 1.865 1
1 1286 . 17 1 1 A 122 122 THR CA C 122 61.829 60.742 1.087 1
1 1287 . 17 1 1 A 122 122 THR CB C 122 69.537 70.072 -0.535 1
1 1288 . 17 1 1 A 122 122 THR N N 122 114.163 117.636 -3.473 1
1 1289 . 17 1 1 A 123 123 ASP H H 123 8.197 8.796 -0.599 1
1 1290 . 17 1 1 A 123 123 ASP HA H 123 4.641 4.717 -0.076 1
1 1292 . 17 1 1 A 123 123 ASP C C 123 174.975 175.131 -0.156 1
1 1293 . 17 1 1 A 123 123 ASP CA C 123 54.542 55.757 -1.215 1
1 1294 . 17 1 1 A 123 123 ASP CB C 123 41.144 42.082 -0.938 1
1 1295 . 17 1 1 A 123 123 ASP N N 123 122.772 123.813 -1.041 1
1 8 . 18 1 1 A 2 2 ILE H H 2 8.420 8.332 0.088 1
1 9 . 18 1 1 A 2 2 ILE HA H 2 4.219 4.549 -0.330 1
1 11 . 18 1 1 A 2 2 ILE C C 2 175.424 175.865 -0.441 1
1 12 . 18 1 1 A 2 2 ILE CA C 2 61.022 60.072 0.950 1
1 13 . 18 1 1 A 2 2 ILE CB C 2 38.918 39.179 -0.261 1
1 14 . 18 1 1 A 2 2 ILE N N 2 120.314 118.129 2.185 1
1 15 . 18 1 1 A 3 3 ALA H H 3 8.374 8.403 -0.029 1
1 16 . 18 1 1 A 3 3 ALA CA C 3 50.509 50.498 0.011 1
1 17 . 18 1 1 A 3 3 ALA CB C 3 18.608 19.504 -0.896 1
1 18 . 18 1 1 A 3 3 ALA N N 3 129.874 127.013 2.861 1
1 19 . 18 1 1 A 4 4 PRO HA H 4 4.446 4.583 -0.137 1
1 22 . 18 1 1 A 4 4 PRO C C 4 176.949 177.096 -0.147 1
1 23 . 18 1 1 A 4 4 PRO CA C 4 63.456 62.838 0.618 1
1 24 . 18 1 1 A 4 4 PRO CB C 4 32.203 31.693 0.510 1
1 25 . 18 1 1 A 5 5 CYS H H 5 8.347 8.671 -0.324 1
1 26 . 18 1 1 A 5 5 CYS HA H 5 4.492 4.294 0.198 1
1 28 . 18 1 1 A 5 5 CYS C C 5 174.805 175.503 -0.698 1
1 29 . 18 1 1 A 5 5 CYS CA C 5 58.495 62.466 -3.971 1
1 30 . 18 1 1 A 5 5 CYS CB C 5 27.957 27.913 0.044 1
1 31 . 18 1 1 A 5 5 CYS N N 5 118.477 122.714 -4.237 1
1 32 . 18 1 1 A 6 6 MET H H 6 8.421 8.021 0.400 1
1 33 . 18 1 1 A 6 6 MET HA H 6 4.534 4.239 0.295 1
1 35 . 18 1 1 A 6 6 MET C C 6 176.132 175.974 0.158 1
1 36 . 18 1 1 A 6 6 MET CA C 6 55.629 57.531 -1.902 1
1 37 . 18 1 1 A 6 6 MET CB C 6 33.048 31.295 1.753 1
1 38 . 18 1 1 A 6 6 MET N N 6 122.952 119.129 3.823 1
1 39 . 18 1 1 A 7 7 GLN H H 7 8.313 8.770 -0.457 1
1 40 . 18 1 1 A 7 7 GLN HA H 7 4.435 3.919 0.516 1
1 42 . 18 1 1 A 7 7 GLN C C 7 176.128 174.929 1.199 1
1 43 . 18 1 1 A 7 7 GLN CA C 7 56.109 57.796 -1.687 1
1 44 . 18 1 1 A 7 7 GLN CB C 7 29.591 26.768 2.823 1
1 45 . 18 1 1 A 7 7 GLN N N 7 121.379 116.725 4.654 1
1 46 . 18 1 1 A 8 8 THR H H 8 8.195 7.864 0.331 1
1 47 . 18 1 1 A 8 8 THR HA H 8 4.406 4.300 0.106 1
1 49 . 18 1 1 A 8 8 THR C C 8 174.739 173.793 0.946 1
1 50 . 18 1 1 A 8 8 THR CA C 8 61.856 61.167 0.689 1
1 51 . 18 1 1 A 8 8 THR CB C 8 69.854 68.133 1.721 1
1 52 . 18 1 1 A 8 8 THR N N 8 115.096 112.704 2.392 1
1 53 . 18 1 1 A 9 9 THR H H 9 8.081 8.207 -0.126 1
1 54 . 18 1 1 A 9 9 THR HA H 9 4.335 4.430 -0.095 1
1 56 . 18 1 1 A 9 9 THR C C 9 174.407 174.473 -0.066 1
1 57 . 18 1 1 A 9 9 THR CA C 9 61.896 61.830 0.066 1
1 58 . 18 1 1 A 9 9 THR CB C 9 69.811 69.425 0.386 1
1 59 . 18 1 1 A 9 9 THR N N 9 115.837 121.975 -6.138 1
1 60 . 18 1 1 A 10 10 HIS H H 10 8.477 8.125 0.352 1
1 61 . 18 1 1 A 10 10 HIS HA H 10 4.788 4.103 0.685 1
1 64 . 18 1 1 A 10 10 HIS C C 10 174.571 173.520 1.051 1
1 65 . 18 1 1 A 10 10 HIS CA C 10 55.477 59.960 -4.483 1
1 66 . 18 1 1 A 10 10 HIS CB C 10 29.291 27.900 1.391 1
1 67 . 18 1 1 A 10 10 HIS N N 10 120.606 119.375 1.231 1
1 68 . 18 1 1 A 11 11 SER H H 11 8.306 8.319 -0.013 1
1 69 . 18 1 1 A 11 11 SER HA H 11 4.448 4.693 -0.245 1
1 71 . 18 1 1 A 11 11 SER C C 11 174.512 172.433 2.079 1
1 72 . 18 1 1 A 11 11 SER CA C 11 58.557 57.616 0.941 1
1 73 . 18 1 1 A 11 11 SER CB C 11 63.943 64.618 -0.675 1
1 74 . 18 1 1 A 11 11 SER N N 11 117.043 111.823 5.220 1
1 75 . 18 1 1 A 12 12 LYS H H 12 8.402 8.907 -0.505 1
1 76 . 18 1 1 A 12 12 LYS HA H 12 4.359 5.295 -0.936 1
1 79 . 18 1 1 A 12 12 LYS C C 12 176.592 174.741 1.851 1
1 80 . 18 1 1 A 12 12 LYS CA C 12 56.634 54.769 1.865 1
1 81 . 18 1 1 A 12 12 LYS CB C 12 33.127 36.843 -3.716 1
1 82 . 18 1 1 A 12 12 LYS N N 12 123.023 124.832 -1.809 1
1 83 . 18 1 1 A 13 13 MET H H 13 8.343 8.619 -0.276 1
1 84 . 18 1 1 A 13 13 MET HA H 13 4.530 4.954 -0.424 1
1 88 . 18 1 1 A 13 13 MET C C 13 176.373 174.762 1.611 1
1 89 . 18 1 1 A 13 13 MET CA C 13 55.680 54.654 1.026 1
1 90 . 18 1 1 A 13 13 MET CB C 13 32.925 34.222 -1.297 1
1 91 . 18 1 1 A 13 13 MET N N 13 121.294 117.770 3.524 1
1 92 . 18 1 1 A 14 14 THR H H 14 8.068 8.424 -0.356 1
1 93 . 18 1 1 A 14 14 THR HA H 14 4.333 3.941 0.392 1
1 97 . 18 1 1 A 14 14 THR C C 14 174.246 173.900 0.346 1
1 98 . 18 1 1 A 14 14 THR CA C 14 61.770 62.304 -0.534 1
1 99 . 18 1 1 A 14 14 THR CB C 14 69.894 67.589 2.305 1
1 100 . 18 1 1 A 14 14 THR N N 14 115.254 112.134 3.120 1
1 101 . 18 1 1 A 15 15 ALA H H 15 8.289 8.323 -0.034 1
1 102 . 18 1 1 A 15 15 ALA HA H 15 4.344 4.465 -0.121 1
1 106 . 18 1 1 A 15 15 ALA C C 15 178.080 177.159 0.921 1
1 107 . 18 1 1 A 15 15 ALA CA C 15 52.779 51.996 0.783 1
1 108 . 18 1 1 A 15 15 ALA CB C 15 19.286 19.921 -0.635 1
1 109 . 18 1 1 A 15 15 ALA N N 15 126.372 124.935 1.437 1
1 110 . 18 1 1 A 16 16 GLY H H 16 8.291 8.217 0.074 1
1 111 . 18 1 1 A 16 16 GLY HA2 H 16 3.913 4.134 -0.221 1
1 112 . 18 1 1 A 16 16 GLY C C 16 173.788 171.655 2.133 1
1 113 . 18 1 1 A 16 16 GLY CA C 16 45.298 45.953 -0.655 1
1 114 . 18 1 1 A 16 16 GLY N N 16 108.095 107.215 0.880 1
1 115 . 18 1 1 A 17 17 ALA H H 17 8.000 8.216 -0.216 1
1 116 . 18 1 1 A 17 17 ALA HA H 17 4.292 4.930 -0.638 1
1 120 . 18 1 1 A 17 17 ALA C C 17 177.366 175.066 2.300 1
1 121 . 18 1 1 A 17 17 ALA CA C 17 52.518 51.121 1.397 1
1 122 . 18 1 1 A 17 17 ALA CB C 17 19.577 23.080 -3.503 1
1 123 . 18 1 1 A 17 17 ALA N N 17 123.370 124.327 -0.957 1
1 124 . 18 1 1 A 18 18 TYR H H 18 8.135 8.910 -0.775 1
1 125 . 18 1 1 A 18 18 TYR HA H 18 4.640 4.997 -0.357 1
1 129 . 18 1 1 A 18 18 TYR C C 18 176.031 174.701 1.330 1
1 130 . 18 1 1 A 18 18 TYR CA C 18 57.973 56.808 1.165 1
1 131 . 18 1 1 A 18 18 TYR CB C 18 38.661 42.134 -3.473 1
1 132 . 18 1 1 A 18 18 TYR N N 18 119.212 118.447 0.765 1
1 133 . 18 1 1 A 19 19 THR H H 19 7.912 8.489 -0.577 1
1 134 . 18 1 1 A 19 19 THR HA H 19 4.267 4.618 -0.351 1
1 139 . 18 1 1 A 19 19 THR C C 19 173.995 174.752 -0.757 1
1 140 . 18 1 1 A 19 19 THR CA C 19 61.848 61.683 0.165 1
1 141 . 18 1 1 A 19 19 THR CB C 19 69.756 69.452 0.304 1
1 142 . 18 1 1 A 19 19 THR N N 19 115.764 114.644 1.120 1
1 143 . 18 1 1 A 20 20 GLU H H 20 8.077 8.787 -0.710 1
1 144 . 18 1 1 A 20 20 GLU HA H 20 4.301 4.636 -0.335 1
1 148 . 18 1 1 A 20 20 GLU C C 20 176.128 176.052 0.076 1
1 149 . 18 1 1 A 20 20 GLU CA C 20 56.312 56.493 -0.181 1
1 150 . 18 1 1 A 20 20 GLU CB C 20 30.423 30.924 -0.501 1
1 152 . 18 1 1 A 20 20 GLU N N 20 122.553 124.474 -1.921 1
1 153 . 18 1 1 A 21 21 GLY H H 21 7.966 7.303 0.663 1
1 154 . 18 1 1 A 21 21 GLY HA2 H 21 3.903 4.115 -0.212 1
1 155 . 18 1 1 A 21 21 GLY CA C 21 44.257 45.539 -1.282 1
1 156 . 18 1 1 A 21 21 GLY N N 21 109.544 107.074 2.470 1
1 157 . 18 1 1 A 22 22 PRO HA H 22 4.232 4.275 -0.043 1
1 164 . 18 1 1 A 22 22 PRO CA C 22 61.109 65.024 -3.915 1
1 165 . 18 1 1 A 22 22 PRO CB C 22 30.711 31.869 -1.158 1
1 168 . 18 1 1 A 23 23 PRO HA H 23 4.363 4.531 -0.168 1
1 174 . 18 1 1 A 23 23 PRO C C 23 176.567 176.905 -0.338 1
1 175 . 18 1 1 A 23 23 PRO CA C 23 62.733 62.629 0.104 1
1 176 . 18 1 1 A 23 23 PRO CB C 23 32.048 32.219 -0.171 1
1 179 . 18 1 1 A 24 24 GLN H H 24 8.286 8.507 -0.221 1
1 180 . 18 1 1 A 24 24 GLN HA H 24 4.479 4.569 -0.090 1
1 186 . 18 1 1 A 24 24 GLN CA C 24 53.763 54.123 -0.360 1
1 187 . 18 1 1 A 24 24 GLN CB C 24 28.800 28.242 0.558 1
1 189 . 18 1 1 A 24 24 GLN N N 24 121.215 121.342 -0.127 1
1 191 . 18 1 1 A 25 25 PRO HA H 25 4.389 4.813 -0.424 1
1 198 . 18 1 1 A 25 25 PRO C C 25 176.707 176.920 -0.213 1
1 199 . 18 1 1 A 25 25 PRO CA C 25 62.867 62.467 0.400 1
1 200 . 18 1 1 A 25 25 PRO CB C 25 32.174 31.819 0.355 1
1 203 . 18 1 1 A 26 26 LEU H H 26 8.244 8.190 0.054 1
1 204 . 18 1 1 A 26 26 LEU HA H 26 4.405 4.447 -0.042 1
1 214 . 18 1 1 A 26 26 LEU C C 26 177.517 176.398 1.119 1
1 215 . 18 1 1 A 26 26 LEU CA C 26 54.643 53.567 1.076 1
1 216 . 18 1 1 A 26 26 LEU CB C 26 43.618 43.141 0.477 1
1 220 . 18 1 1 A 26 26 LEU N N 26 122.745 119.802 2.943 1
1 221 . 18 1 1 A 27 27 SER H H 27 8.758 8.772 -0.014 1
1 222 . 18 1 1 A 27 27 SER HA H 27 4.474 4.601 -0.127 1
1 225 . 18 1 1 A 27 27 SER C C 27 174.789 175.503 -0.714 1
1 226 . 18 1 1 A 27 27 SER CA C 27 57.461 58.506 -1.045 1
1 227 . 18 1 1 A 27 27 SER CB C 27 65.280 63.730 1.550 1
1 228 . 18 1 1 A 27 27 SER N N 27 117.967 117.252 0.715 1
1 229 . 18 1 1 A 28 28 ALA H H 28 8.841 8.940 -0.099 1
1 230 . 18 1 1 A 28 28 ALA HA H 28 4.037 3.975 0.062 1
1 234 . 18 1 1 A 28 28 ALA CA C 28 55.346 55.428 -0.082 1
1 235 . 18 1 1 A 28 28 ALA CB C 28 18.347 18.181 0.166 1
1 236 . 18 1 1 A 28 28 ALA N N 28 124.144 128.674 -4.530 1
1 237 . 18 1 1 A 29 29 GLU H H 29 8.565 8.034 0.531 1
1 238 . 18 1 1 A 29 29 GLU HA H 29 4.026 3.990 0.036 1
1 242 . 18 1 1 A 29 29 GLU C C 29 178.877 179.623 -0.746 1
1 243 . 18 1 1 A 29 29 GLU CA C 29 59.430 59.445 -0.015 1
1 244 . 18 1 1 A 29 29 GLU CB C 29 29.244 29.160 0.084 1
1 246 . 18 1 1 A 29 29 GLU N N 29 117.527 117.680 -0.153 1
1 247 . 18 1 1 A 30 30 GLU H H 30 7.823 8.264 -0.441 1
1 248 . 18 1 1 A 30 30 GLU HA H 30 4.054 4.040 0.014 1
1 253 . 18 1 1 A 30 30 GLU C C 30 179.191 179.301 -0.110 1
1 254 . 18 1 1 A 30 30 GLU CA C 30 59.037 59.145 -0.108 1
1 255 . 18 1 1 A 30 30 GLU CB C 30 30.102 29.079 1.023 1
1 257 . 18 1 1 A 30 30 GLU N N 30 120.773 120.764 0.009 1
1 258 . 18 1 1 A 31 31 LYS H H 31 8.246 7.417 0.829 1
1 259 . 18 1 1 A 31 31 LYS HA H 31 3.844 4.047 -0.203 1
1 266 . 18 1 1 A 31 31 LYS C C 31 177.968 179.360 -1.392 1
1 267 . 18 1 1 A 31 31 LYS CA C 31 59.889 59.345 0.544 1
1 268 . 18 1 1 A 31 31 LYS CB C 31 32.350 31.983 0.367 1
1 272 . 18 1 1 A 31 31 LYS N N 31 119.315 119.829 -0.514 1
1 273 . 18 1 1 A 32 32 LYS H H 32 7.698 7.397 0.301 1
1 274 . 18 1 1 A 32 32 LYS HA H 32 4.043 4.037 0.006 1
1 282 . 18 1 1 A 32 32 LYS C C 32 178.848 179.548 -0.700 1
1 283 . 18 1 1 A 32 32 LYS CA C 32 59.479 59.828 -0.349 1
1 284 . 18 1 1 A 32 32 LYS CB C 32 32.459 32.071 0.388 1
1 288 . 18 1 1 A 32 32 LYS N N 32 118.195 119.884 -1.689 1
1 289 . 18 1 1 A 33 33 GLU H H 33 7.512 7.897 -0.385 1
1 290 . 18 1 1 A 33 33 GLU HA H 33 4.031 4.104 -0.073 1
1 295 . 18 1 1 A 33 33 GLU C C 33 178.989 179.858 -0.869 1
1 296 . 18 1 1 A 33 33 GLU CA C 33 59.157 59.023 0.134 1
1 297 . 18 1 1 A 33 33 GLU CB C 33 29.220 29.726 -0.506 1
1 299 . 18 1 1 A 33 33 GLU N N 33 118.459 119.817 -1.358 1
1 300 . 18 1 1 A 34 34 ILE H H 34 7.912 8.135 -0.223 1
1 301 . 18 1 1 A 34 34 ILE HA H 34 3.503 3.800 -0.297 1
1 311 . 18 1 1 A 34 34 ILE C C 34 180.639 177.724 2.915 1
1 312 . 18 1 1 A 34 34 ILE CA C 34 65.305 64.376 0.929 1
1 313 . 18 1 1 A 34 34 ILE CB C 34 38.540 37.494 1.046 1
1 317 . 18 1 1 A 34 34 ILE N N 34 120.176 117.957 2.219 1
1 318 . 18 1 1 A 35 35 ASP H H 35 8.457 8.060 0.397 1
1 319 . 18 1 1 A 35 35 ASP HA H 35 4.145 4.274 -0.129 1
1 322 . 18 1 1 A 35 35 ASP C C 35 178.790 178.755 0.035 1
1 323 . 18 1 1 A 35 35 ASP CA C 35 58.322 57.843 0.479 1
1 324 . 18 1 1 A 35 35 ASP CB C 35 39.538 40.898 -1.360 1
1 325 . 18 1 1 A 35 35 ASP N N 35 123.589 121.549 2.040 1
1 326 . 18 1 1 A 36 36 LYS H H 36 7.573 7.994 -0.421 1
1 327 . 18 1 1 A 36 36 LYS HA H 36 4.187 4.120 0.067 1
1 334 . 18 1 1 A 36 36 LYS C C 36 176.400 178.149 -1.749 1
1 335 . 18 1 1 A 36 36 LYS CA C 36 58.656 59.704 -1.048 1
1 336 . 18 1 1 A 36 36 LYS CB C 36 32.991 32.177 0.814 1
1 340 . 18 1 1 A 36 36 LYS N N 36 117.506 119.475 -1.969 1
1 341 . 18 1 1 A 37 37 ARG H H 37 7.397 8.028 -0.631 1
1 342 . 18 1 1 A 37 37 ARG HA H 37 4.658 4.436 0.222 1
1 348 . 18 1 1 A 37 37 ARG C C 37 174.361 175.761 -1.400 1
1 349 . 18 1 1 A 37 37 ARG CA C 37 55.793 56.385 -0.592 1
1 350 . 18 1 1 A 37 37 ARG CB C 37 31.260 30.067 1.193 1
1 353 . 18 1 1 A 37 37 ARG N N 37 115.182 115.654 -0.472 1
1 354 . 18 1 1 A 38 38 SER H H 38 7.416 7.754 -0.338 1
1 355 . 18 1 1 A 38 38 SER HA H 38 6.346 5.479 0.867 1
1 358 . 18 1 1 A 38 38 SER C C 38 173.807 173.771 0.036 1
1 359 . 18 1 1 A 38 38 SER CA C 38 57.574 56.164 1.410 1
1 360 . 18 1 1 A 38 38 SER CB C 38 67.003 66.131 0.872 1
1 361 . 18 1 1 A 38 38 SER N N 38 112.872 113.229 -0.357 1
1 362 . 18 1 1 A 39 39 VAL H H 39 8.812 8.745 0.067 1
1 363 . 18 1 1 A 39 39 VAL HA H 39 5.117 5.206 -0.089 1
1 371 . 18 1 1 A 39 39 VAL C C 39 174.519 173.335 1.184 1
1 372 . 18 1 1 A 39 39 VAL CA C 39 59.085 59.120 -0.035 1
1 373 . 18 1 1 A 39 39 VAL CB C 39 34.476 36.132 -1.656 1
1 376 . 18 1 1 A 39 39 VAL N N 39 111.961 114.056 -2.095 1
1 377 . 18 1 1 A 40 40 TYR H H 40 9.366 9.482 -0.116 1
1 378 . 18 1 1 A 40 40 TYR HA H 40 5.108 5.158 -0.050 1
1 385 . 18 1 1 A 40 40 TYR C C 40 172.976 173.707 -0.731 1
1 386 . 18 1 1 A 40 40 TYR CA C 40 56.633 55.739 0.894 1
1 387 . 18 1 1 A 40 40 TYR CB C 40 41.058 41.356 -0.298 1
1 390 . 18 1 1 A 40 40 TYR N N 40 123.743 124.754 -1.011 1
1 391 . 18 1 1 A 41 41 VAL H H 41 8.734 8.987 -0.253 1
1 392 . 18 1 1 A 41 41 VAL HA H 41 4.876 4.619 0.257 1
1 400 . 18 1 1 A 41 41 VAL C C 41 174.651 174.742 -0.091 1
1 401 . 18 1 1 A 41 41 VAL CA C 41 59.798 60.570 -0.772 1
1 402 . 18 1 1 A 41 41 VAL CB C 41 33.329 32.560 0.769 1
1 405 . 18 1 1 A 41 41 VAL N N 41 127.436 127.169 0.267 1
1 406 . 18 1 1 A 42 42 GLY H H 42 9.669 8.518 1.151 1
1 407 . 18 1 1 A 42 42 GLY HA2 H 42 3.612 3.943 -0.331 1
1 408 . 18 1 1 A 42 42 GLY HA3 H 42 4.392 4.000 0.392 1
1 409 . 18 1 1 A 42 42 GLY C C 42 173.639 173.938 -0.299 1
1 410 . 18 1 1 A 42 42 GLY CA C 42 44.169 43.647 0.522 1
1 411 . 18 1 1 A 42 42 GLY N N 42 113.263 114.702 -1.439 1
1 412 . 18 1 1 A 43 43 ASN H H 43 8.412 9.005 -0.593 1
1 413 . 18 1 1 A 43 43 ASN HA H 43 4.510 4.664 -0.154 1
1 418 . 18 1 1 A 43 43 ASN C C 43 174.364 174.759 -0.395 1
1 419 . 18 1 1 A 43 43 ASN CA C 43 53.557 54.536 -0.979 1
1 420 . 18 1 1 A 43 43 ASN CB C 43 37.283 38.295 -1.012 1
1 421 . 18 1 1 A 43 43 ASN N N 43 115.451 118.079 -2.628 1
1 423 . 18 1 1 A 44 44 VAL H H 44 7.083 7.842 -0.759 1
1 424 . 18 1 1 A 44 44 VAL HA H 44 3.975 4.270 -0.295 1
1 432 . 18 1 1 A 44 44 VAL C C 44 175.885 174.418 1.467 1
1 433 . 18 1 1 A 44 44 VAL CA C 44 61.614 62.066 -0.452 1
1 434 . 18 1 1 A 44 44 VAL CB C 44 32.914 32.182 0.732 1
1 437 . 18 1 1 A 44 44 VAL N N 44 115.399 121.428 -6.029 1
1 438 . 18 1 1 A 45 45 ASP H H 45 8.305 8.924 -0.619 1
1 439 . 18 1 1 A 45 45 ASP HA H 45 4.467 4.931 -0.464 1
1 442 . 18 1 1 A 45 45 ASP C C 45 177.205 176.655 0.550 1
1 443 . 18 1 1 A 45 45 ASP CA C 45 54.613 53.472 1.141 1
1 444 . 18 1 1 A 45 45 ASP CB C 45 43.657 38.921 4.736 1
1 445 . 18 1 1 A 45 45 ASP N N 45 124.440 129.925 -5.485 1
1 446 . 18 1 1 A 46 46 TYR H H 46 8.715 8.805 -0.090 1
1 447 . 18 1 1 A 46 46 TYR HA H 46 4.483 4.434 0.049 1
1 454 . 18 1 1 A 46 46 TYR C C 46 175.453 176.441 -0.988 1
1 455 . 18 1 1 A 46 46 TYR CA C 46 59.464 59.314 0.150 1
1 456 . 18 1 1 A 46 46 TYR CB C 46 38.753 38.099 0.654 1
1 458 . 18 1 1 A 46 46 TYR N N 46 125.588 122.912 2.676 1
1 459 . 18 1 1 A 47 47 GLY H H 47 8.387 8.310 0.077 1
1 460 . 18 1 1 A 47 47 GLY HA2 H 47 3.561 3.927 -0.366 1
1 461 . 18 1 1 A 47 47 GLY HA3 H 47 4.348 4.007 0.341 1
1 462 . 18 1 1 A 47 47 GLY C C 47 173.578 173.663 -0.085 1
1 463 . 18 1 1 A 47 47 GLY CA C 47 44.965 45.286 -0.321 1
1 464 . 18 1 1 A 47 47 GLY N N 47 106.974 106.684 0.290 1
1 465 . 18 1 1 A 48 48 SER H H 48 7.417 7.653 -0.236 1
1 466 . 18 1 1 A 48 48 SER HA H 48 4.428 4.595 -0.167 1
1 468 . 18 1 1 A 48 48 SER C C 48 173.220 174.212 -0.992 1
1 469 . 18 1 1 A 48 48 SER CA C 48 59.892 58.159 1.733 1
1 470 . 18 1 1 A 48 48 SER CB C 48 64.519 64.524 -0.005 1
1 471 . 18 1 1 A 48 48 SER N N 48 115.423 116.491 -1.068 1
1 472 . 18 1 1 A 49 49 THR H H 49 8.474 8.676 -0.202 1
1 473 . 18 1 1 A 49 49 THR HA H 49 4.660 4.713 -0.053 1
1 478 . 18 1 1 A 49 49 THR C C 49 175.940 175.689 0.251 1
1 479 . 18 1 1 A 49 49 THR CA C 49 58.831 60.053 -1.222 1
1 480 . 18 1 1 A 49 49 THR CB C 49 72.585 71.613 0.972 1
1 482 . 18 1 1 A 49 49 THR N N 49 112.103 114.709 -2.606 1
1 483 . 18 1 1 A 50 50 ALA H H 50 9.723 9.082 0.641 1
1 484 . 18 1 1 A 50 50 ALA HA H 50 3.923 4.016 -0.093 1
1 488 . 18 1 1 A 50 50 ALA C C 50 179.045 179.619 -0.574 1
1 489 . 18 1 1 A 50 50 ALA CA C 50 55.643 55.400 0.243 1
1 490 . 18 1 1 A 50 50 ALA CB C 50 18.259 18.045 0.214 1
1 491 . 18 1 1 A 50 50 ALA N N 50 123.988 124.723 -0.735 1
1 492 . 18 1 1 A 51 51 GLN H H 51 7.730 8.097 -0.367 1
1 493 . 18 1 1 A 51 51 GLN HA H 51 3.940 3.987 -0.047 1
1 500 . 18 1 1 A 51 51 GLN C C 51 178.215 177.537 0.678 1
1 501 . 18 1 1 A 51 51 GLN CA C 51 59.096 58.958 0.138 1
1 502 . 18 1 1 A 51 51 GLN CB C 51 28.508 28.030 0.478 1
1 504 . 18 1 1 A 51 51 GLN N N 51 116.375 118.079 -1.704 1
1 505 . 18 1 1 A 52 52 ASP H H 52 8.273 7.642 0.631 1
1 506 . 18 1 1 A 52 52 ASP HA H 52 4.587 4.496 0.091 1
1 507 . 18 1 1 A 52 52 ASP C C 52 179.837 178.995 0.842 1
1 508 . 18 1 1 A 52 52 ASP CA C 52 57.556 57.204 0.352 1
1 509 . 18 1 1 A 52 52 ASP CB C 52 41.057 41.143 -0.086 1
1 510 . 18 1 1 A 52 52 ASP N N 52 120.755 120.176 0.579 1
1 511 . 18 1 1 A 53 53 LEU H H 53 7.855 8.213 -0.358 1
1 512 . 18 1 1 A 53 53 LEU HA H 53 3.933 4.085 -0.152 1
1 522 . 18 1 1 A 53 53 LEU C C 53 178.463 179.213 -0.750 1
1 523 . 18 1 1 A 53 53 LEU CA C 53 58.367 58.157 0.210 1
1 524 . 18 1 1 A 53 53 LEU CB C 53 42.646 40.985 1.661 1
1 528 . 18 1 1 A 53 53 LEU N N 53 122.035 119.899 2.136 1
1 529 . 18 1 1 A 54 54 GLU H H 54 8.804 8.874 -0.070 1
1 530 . 18 1 1 A 54 54 GLU HA H 54 3.745 4.049 -0.304 1
1 534 . 18 1 1 A 54 54 GLU C C 54 178.467 178.550 -0.083 1
1 535 . 18 1 1 A 54 54 GLU CA C 54 59.833 59.773 0.060 1
1 536 . 18 1 1 A 54 54 GLU CB C 54 29.238 29.436 -0.198 1
1 538 . 18 1 1 A 54 54 GLU N N 54 120.472 119.984 0.488 1
1 539 . 18 1 1 A 55 55 ALA H H 55 8.098 8.038 0.060 1
1 540 . 18 1 1 A 55 55 ALA HA H 55 4.249 4.204 0.045 1
1 544 . 18 1 1 A 55 55 ALA C C 55 180.711 180.001 0.710 1
1 545 . 18 1 1 A 55 55 ALA CA C 55 55.077 55.025 0.052 1
1 546 . 18 1 1 A 55 55 ALA CB C 55 18.164 18.460 -0.296 1
1 547 . 18 1 1 A 55 55 ALA N N 55 119.302 122.303 -3.001 1
1 548 . 18 1 1 A 56 56 HIS H H 56 7.927 7.768 0.159 1
1 549 . 18 1 1 A 56 56 HIS HA H 56 4.281 4.273 0.008 1
1 553 . 18 1 1 A 56 56 HIS C C 56 176.342 177.110 -0.768 1
1 554 . 18 1 1 A 56 56 HIS CA C 56 59.362 59.237 0.125 1
1 555 . 18 1 1 A 56 56 HIS CB C 56 31.200 29.498 1.702 1
1 556 . 18 1 1 A 56 56 HIS N N 56 117.016 118.155 -1.139 1
1 557 . 18 1 1 A 57 57 PHE H H 57 7.811 8.024 -0.213 1
1 558 . 18 1 1 A 57 57 PHE HA H 57 4.554 4.380 0.174 1
1 565 . 18 1 1 A 57 57 PHE C C 57 177.301 177.865 -0.564 1
1 566 . 18 1 1 A 57 57 PHE CA C 57 59.480 61.640 -2.160 1
1 567 . 18 1 1 A 57 57 PHE CB C 57 40.432 38.835 1.597 1
1 571 . 18 1 1 A 57 57 PHE N N 57 111.423 115.345 -3.922 1
1 572 . 18 1 1 A 58 58 SER H H 58 8.126 8.350 -0.224 1
1 573 . 18 1 1 A 58 58 SER HA H 58 4.468 4.515 -0.047 1
1 575 . 18 1 1 A 58 58 SER C C 58 176.676 177.156 -0.480 1
1 576 . 18 1 1 A 58 58 SER CA C 58 62.159 61.191 0.968 1
1 577 . 18 1 1 A 58 58 SER N N 58 118.439 116.328 2.111 1
1 578 . 18 1 1 A 59 59 SER H H 59 8.422 7.718 0.704 1
1 579 . 18 1 1 A 59 59 SER HA H 59 4.291 4.296 -0.005 1
1 581 . 18 1 1 A 59 59 SER C C 59 175.955 175.044 0.911 1
1 582 . 18 1 1 A 59 59 SER CA C 59 60.277 61.355 -1.078 1
1 583 . 18 1 1 A 59 59 SER CB C 59 62.444 63.091 -0.647 1
1 584 . 18 1 1 A 59 59 SER N N 59 116.618 116.657 -0.039 1
1 585 . 18 1 1 A 60 60 CYS H H 60 8.226 7.886 0.340 1
1 586 . 18 1 1 A 60 60 CYS HA H 60 4.067 4.488 -0.421 1
1 589 . 18 1 1 A 60 60 CYS C C 60 174.682 174.347 0.335 1
1 590 . 18 1 1 A 60 60 CYS CA C 60 60.683 59.583 1.100 1
1 591 . 18 1 1 A 60 60 CYS CB C 60 28.894 28.434 0.460 1
1 592 . 18 1 1 A 60 60 CYS N N 60 118.900 117.467 1.433 1
1 593 . 18 1 1 A 61 61 GLY H H 61 7.414 7.152 0.262 1
1 594 . 18 1 1 A 61 61 GLY HA2 H 61 3.887 4.052 -0.165 1
1 595 . 18 1 1 A 61 61 GLY HA3 H 61 4.489 4.090 0.399 1
1 596 . 18 1 1 A 61 61 GLY C C 61 171.619 172.393 -0.774 1
1 597 . 18 1 1 A 61 61 GLY CA C 61 44.000 44.387 -0.387 1
1 598 . 18 1 1 A 61 61 GLY N N 61 106.320 109.289 -2.969 1
1 599 . 18 1 1 A 62 62 SER H H 62 8.182 8.419 -0.237 1
1 600 . 18 1 1 A 62 62 SER HA H 62 4.420 5.105 -0.685 1
1 603 . 18 1 1 A 62 62 SER C C 62 175.295 174.190 1.105 1
1 604 . 18 1 1 A 62 62 SER CA C 62 59.839 58.573 1.266 1
1 605 . 18 1 1 A 62 62 SER CB C 62 63.617 64.069 -0.452 1
1 606 . 18 1 1 A 62 62 SER N N 62 112.485 117.088 -4.603 1
1 607 . 18 1 1 A 63 63 ILE H H 63 8.857 9.025 -0.168 1
1 608 . 18 1 1 A 63 63 ILE HA H 63 4.007 4.135 -0.128 1
1 618 . 18 1 1 A 63 63 ILE C C 63 175.045 175.938 -0.893 1
1 619 . 18 1 1 A 63 63 ILE CA C 63 61.979 61.810 0.169 1
1 620 . 18 1 1 A 63 63 ILE CB C 63 41.048 38.209 2.839 1
1 624 . 18 1 1 A 63 63 ILE N N 63 127.966 126.803 1.163 1
1 625 . 18 1 1 A 64 64 ASN H H 64 8.897 9.306 -0.409 1
1 626 . 18 1 1 A 64 64 ASN HA H 64 4.667 4.762 -0.095 1
1 631 . 18 1 1 A 64 64 ASN C C 64 174.686 174.564 0.122 1
1 632 . 18 1 1 A 64 64 ASN CA C 64 53.627 55.017 -1.390 1
1 633 . 18 1 1 A 64 64 ASN CB C 64 40.062 39.427 0.635 1
1 634 . 18 1 1 A 64 64 ASN N N 64 124.997 125.600 -0.603 1
1 636 . 18 1 1 A 65 65 ARG H H 65 7.419 7.573 -0.154 1
1 637 . 18 1 1 A 65 65 ARG HA H 65 5.155 4.903 0.252 1
1 645 . 18 1 1 A 65 65 ARG C C 65 173.788 174.367 -0.579 1
1 646 . 18 1 1 A 65 65 ARG CA C 65 55.703 54.866 0.837 1
1 647 . 18 1 1 A 65 65 ARG CB C 65 35.408 35.156 0.252 1
1 650 . 18 1 1 A 65 65 ARG N N 65 116.737 115.524 1.213 1
1 652 . 18 1 1 A 66 66 ILE H H 66 8.681 8.681 0.000 1
1 653 . 18 1 1 A 66 66 ILE HA H 66 4.574 5.058 -0.484 1
1 663 . 18 1 1 A 66 66 ILE C C 66 173.717 174.366 -0.649 1
1 664 . 18 1 1 A 66 66 ILE CA C 66 61.049 59.090 1.959 1
1 665 . 18 1 1 A 66 66 ILE CB C 66 42.988 42.373 0.615 1
1 669 . 18 1 1 A 66 66 ILE N N 66 123.359 117.181 6.178 1
1 670 . 18 1 1 A 67 67 THR H H 67 8.861 9.135 -0.274 1
1 671 . 18 1 1 A 67 67 THR HA H 67 5.378 5.046 0.332 1
1 676 . 18 1 1 A 67 67 THR C C 67 173.526 173.500 0.026 1
1 677 . 18 1 1 A 67 67 THR CA C 67 61.112 61.944 -0.832 1
1 678 . 18 1 1 A 67 67 THR CB C 67 70.857 70.537 0.320 1
1 680 . 18 1 1 A 67 67 THR N N 67 124.375 118.687 5.688 1
1 681 . 18 1 1 A 68 68 ILE H H 68 9.768 9.276 0.492 1
1 682 . 18 1 1 A 68 68 ILE HA H 68 4.333 4.749 -0.416 1
1 692 . 18 1 1 A 68 68 ILE C C 68 173.743 174.951 -1.208 1
1 693 . 18 1 1 A 68 68 ILE CA C 68 61.237 60.130 1.107 1
1 694 . 18 1 1 A 68 68 ILE CB C 68 40.908 40.318 0.590 1
1 698 . 18 1 1 A 68 68 ILE N N 68 127.340 128.560 -1.220 1
1 699 . 18 1 1 A 69 69 LEU H H 69 9.045 9.072 -0.027 1
1 700 . 18 1 1 A 69 69 LEU HA H 69 5.074 5.116 -0.042 1
1 710 . 18 1 1 A 69 69 LEU C C 69 175.502 175.243 0.259 1
1 711 . 18 1 1 A 69 69 LEU CA C 69 55.186 53.053 2.133 1
1 712 . 18 1 1 A 69 69 LEU CB C 69 42.702 44.711 -2.009 1
1 716 . 18 1 1 A 69 69 LEU N N 69 128.686 125.497 3.189 1
1 717 . 18 1 1 A 70 70 CYS H H 70 8.767 8.897 -0.130 1
1 718 . 18 1 1 A 70 70 CYS HA H 70 5.237 5.447 -0.210 1
1 720 . 18 1 1 A 70 70 CYS C C 70 173.558 173.151 0.407 1
1 721 . 18 1 1 A 70 70 CYS CA C 70 57.609 56.748 0.861 1
1 722 . 18 1 1 A 70 70 CYS CB C 70 29.830 29.543 0.287 1
1 723 . 18 1 1 A 70 70 CYS N N 70 120.856 121.521 -0.665 1
1 724 . 18 1 1 A 71 71 ASP H H 71 9.109 8.767 0.342 1
1 725 . 18 1 1 A 71 71 ASP HA H 71 5.193 5.504 -0.311 1
1 728 . 18 1 1 A 71 71 ASP C C 71 175.440 175.306 0.134 1
1 729 . 18 1 1 A 71 71 ASP CA C 71 53.705 52.151 1.554 1
1 730 . 18 1 1 A 71 71 ASP CB C 71 44.774 43.797 0.977 1
1 731 . 18 1 1 A 71 71 ASP N N 71 124.936 123.391 1.545 1
1 732 . 18 1 1 A 72 72 LYS H H 72 8.262 8.558 -0.296 1
1 733 . 18 1 1 A 72 72 LYS HA H 72 4.553 4.546 0.007 1
1 740 . 18 1 1 A 72 72 LYS C C 72 177.732 177.357 0.375 1
1 741 . 18 1 1 A 72 72 LYS CA C 72 55.608 55.694 -0.086 1
1 742 . 18 1 1 A 72 72 LYS CB C 72 32.469 33.261 -0.792 1
1 745 . 18 1 1 A 72 72 LYS N N 72 120.339 124.014 -3.675 1
1 746 . 18 1 1 A 73 73 PHE H H 73 8.663 8.154 0.509 1
1 747 . 18 1 1 A 73 73 PHE HA H 73 4.357 4.383 -0.026 1
1 752 . 18 1 1 A 73 73 PHE C C 73 177.148 177.033 0.115 1
1 753 . 18 1 1 A 73 73 PHE CA C 73 60.214 59.658 0.556 1
1 754 . 18 1 1 A 73 73 PHE CB C 73 39.157 37.517 1.640 1
1 756 . 18 1 1 A 73 73 PHE N N 73 121.961 119.064 2.897 1
1 757 . 18 1 1 A 74 74 SER H H 74 8.780 7.385 1.395 1
1 758 . 18 1 1 A 74 74 SER HA H 74 4.353 4.618 -0.265 1
1 760 . 18 1 1 A 74 74 SER C C 74 174.810 174.660 0.150 1
1 761 . 18 1 1 A 74 74 SER CA C 74 58.965 58.303 0.662 1
1 762 . 18 1 1 A 74 74 SER CB C 74 63.650 63.461 0.189 1
1 763 . 18 1 1 A 74 74 SER N N 74 114.021 114.835 -0.814 1
1 764 . 18 1 1 A 75 75 GLY H H 75 8.004 8.381 -0.377 1
1 765 . 18 1 1 A 75 75 GLY HA2 H 75 3.635 3.805 -0.170 1
1 766 . 18 1 1 A 75 75 GLY HA3 H 75 4.221 3.893 0.328 1
1 767 . 18 1 1 A 75 75 GLY C C 75 173.254 174.042 -0.788 1
1 768 . 18 1 1 A 75 75 GLY CA C 75 45.162 45.240 -0.078 1
1 769 . 18 1 1 A 75 75 GLY N N 75 108.714 109.793 -1.079 1
1 770 . 18 1 1 A 76 76 HIS H H 76 7.670 7.846 -0.176 1
1 771 . 18 1 1 A 76 76 HIS HA H 76 5.020 4.670 0.350 1
1 775 . 18 1 1 A 76 76 HIS CA C 76 52.522 53.953 -1.431 1
1 776 . 18 1 1 A 76 76 HIS CB C 76 29.410 30.622 -1.212 1
1 777 . 18 1 1 A 76 76 HIS N N 76 118.164 119.188 -1.024 1
1 778 . 18 1 1 A 77 77 PRO HA H 77 4.551 4.847 -0.296 1
1 784 . 18 1 1 A 77 77 PRO C C 77 176.458 176.176 0.282 1
1 785 . 18 1 1 A 77 77 PRO CA C 77 63.263 62.736 0.527 1
1 786 . 18 1 1 A 77 77 PRO CB C 77 32.077 31.490 0.587 1
1 789 . 18 1 1 A 78 78 LYS H H 78 8.846 9.200 -0.354 1
1 790 . 18 1 1 A 78 78 LYS HA H 78 4.772 4.972 -0.200 1
1 796 . 18 1 1 A 78 78 LYS CA C 78 55.964 54.811 1.153 1
1 797 . 18 1 1 A 78 78 LYS CB C 78 35.816 34.886 0.930 1
1 799 . 18 1 1 A 78 78 LYS N N 78 124.197 122.533 1.664 1
1 800 . 18 1 1 A 79 79 GLY H H 79 8.352 8.559 -0.207 1
1 801 . 18 1 1 A 79 79 GLY HA2 H 79 3.871 4.220 -0.349 1
1 802 . 18 1 1 A 79 79 GLY HA3 H 79 5.451 4.359 1.092 1
1 803 . 18 1 1 A 79 79 GLY C C 79 173.400 172.209 1.191 1
1 804 . 18 1 1 A 79 79 GLY CA C 79 45.189 44.134 1.055 1
1 805 . 18 1 1 A 79 79 GLY N N 79 109.568 108.348 1.220 1
1 806 . 18 1 1 A 80 80 TYR H H 80 8.856 8.240 0.616 1
1 807 . 18 1 1 A 80 80 TYR HA H 80 4.940 5.152 -0.212 1
1 814 . 18 1 1 A 80 80 TYR C C 80 171.720 172.706 -0.986 1
1 815 . 18 1 1 A 80 80 TYR CA C 80 56.267 56.556 -0.289 1
1 816 . 18 1 1 A 80 80 TYR CB C 80 40.003 41.622 -1.619 1
1 818 . 18 1 1 A 80 80 TYR N N 80 120.052 117.792 2.260 1
1 819 . 18 1 1 A 81 81 ALA H H 81 9.215 8.683 0.532 1
1 820 . 18 1 1 A 81 81 ALA HA H 81 5.386 5.397 -0.011 1
1 824 . 18 1 1 A 81 81 ALA C C 81 175.357 175.000 0.357 1
1 825 . 18 1 1 A 81 81 ALA CA C 81 50.089 50.260 -0.171 1
1 826 . 18 1 1 A 81 81 ALA CB C 81 24.030 23.491 0.539 1
1 827 . 18 1 1 A 81 81 ALA N N 81 120.138 122.292 -2.154 1
1 828 . 18 1 1 A 82 82 TYR H H 82 8.974 9.507 -0.533 1
1 829 . 18 1 1 A 82 82 TYR HA H 82 5.885 5.436 0.449 1
1 836 . 18 1 1 A 82 82 TYR C C 82 176.232 174.590 1.642 1
1 837 . 18 1 1 A 82 82 TYR CA C 82 55.626 56.431 -0.805 1
1 838 . 18 1 1 A 82 82 TYR CB C 82 41.536 41.709 -0.173 1
1 839 . 18 1 1 A 82 82 TYR N N 82 114.621 117.975 -3.354 1
1 840 . 18 1 1 A 83 83 ILE H H 83 8.644 8.594 0.050 1
1 841 . 18 1 1 A 83 83 ILE HA H 83 4.275 4.414 -0.139 1
1 851 . 18 1 1 A 83 83 ILE C C 83 173.516 174.304 -0.788 1
1 852 . 18 1 1 A 83 83 ILE CA C 83 60.345 59.691 0.654 1
1 853 . 18 1 1 A 83 83 ILE CB C 83 39.535 38.704 0.831 1
1 857 . 18 1 1 A 83 83 ILE N N 83 122.447 123.749 -1.302 1
1 858 . 18 1 1 A 84 84 GLU H H 84 8.612 8.853 -0.241 1
1 859 . 18 1 1 A 84 84 GLU HA H 84 4.801 4.747 0.054 1
1 862 . 18 1 1 A 84 84 GLU C C 84 176.111 175.399 0.712 1
1 863 . 18 1 1 A 84 84 GLU CA C 84 54.496 55.202 -0.706 1
1 864 . 18 1 1 A 84 84 GLU CB C 84 31.499 30.820 0.679 1
1 865 . 18 1 1 A 84 84 GLU N N 84 127.346 127.311 0.035 1
1 866 . 18 1 1 A 85 85 PHE H H 85 9.087 9.037 0.050 1
1 867 . 18 1 1 A 85 85 PHE HA H 85 4.817 4.874 -0.057 1
1 875 . 18 1 1 A 85 85 PHE C C 85 174.422 176.857 -2.435 1
1 876 . 18 1 1 A 85 85 PHE CA C 85 59.072 57.755 1.317 1
1 877 . 18 1 1 A 85 85 PHE CB C 85 40.765 41.429 -0.664 1
1 878 . 18 1 1 A 85 85 PHE N N 85 128.049 123.690 4.359 1
1 879 . 18 1 1 A 86 86 ALA H H 86 8.192 9.384 -1.192 1
1 880 . 18 1 1 A 86 86 ALA HA H 86 4.239 4.273 -0.034 1
1 884 . 18 1 1 A 86 86 ALA C C 86 178.143 177.031 1.112 1
1 885 . 18 1 1 A 86 86 ALA CA C 86 54.524 53.765 0.759 1
1 886 . 18 1 1 A 86 86 ALA CB C 86 19.510 19.748 -0.238 1
1 887 . 18 1 1 A 86 86 ALA N N 86 120.669 122.672 -2.003 1
1 888 . 18 1 1 A 87 87 GLU H H 87 8.455 7.885 0.570 1
1 889 . 18 1 1 A 87 87 GLU HA H 87 4.765 4.653 0.112 1
1 893 . 18 1 1 A 87 87 GLU C C 87 176.472 175.623 0.849 1
1 894 . 18 1 1 A 87 87 GLU CA C 87 54.353 55.175 -0.822 1
1 895 . 18 1 1 A 87 87 GLU CB C 87 32.624 33.601 -0.977 1
1 897 . 18 1 1 A 87 87 GLU N N 87 114.204 116.994 -2.790 1
1 898 . 18 1 1 A 88 88 ARG H H 88 8.917 9.015 -0.098 1
1 899 . 18 1 1 A 88 88 ARG HA H 88 3.961 3.892 0.069 1
1 905 . 18 1 1 A 88 88 ARG C C 88 178.900 177.996 0.904 1
1 906 . 18 1 1 A 88 88 ARG CA C 88 59.548 59.982 -0.434 1
1 907 . 18 1 1 A 88 88 ARG CB C 88 30.073 29.842 0.231 1
1 910 . 18 1 1 A 88 88 ARG N N 88 121.592 123.209 -1.617 1
1 911 . 18 1 1 A 89 89 ASN H H 89 8.845 8.721 0.124 1
1 912 . 18 1 1 A 89 89 ASN HA H 89 4.497 4.405 0.092 1
1 916 . 18 1 1 A 89 89 ASN C C 89 177.179 177.359 -0.180 1
1 917 . 18 1 1 A 89 89 ASN CA C 89 55.861 55.943 -0.082 1
1 918 . 18 1 1 A 89 89 ASN CB C 89 37.330 37.335 -0.005 1
1 919 . 18 1 1 A 89 89 ASN N N 89 116.555 117.210 -0.655 1
1 921 . 18 1 1 A 90 90 SER H H 90 7.513 8.042 -0.529 1
1 922 . 18 1 1 A 90 90 SER HA H 90 4.006 4.319 -0.313 1
1 925 . 18 1 1 A 90 90 SER C C 90 174.511 175.848 -1.337 1
1 926 . 18 1 1 A 90 90 SER CA C 90 61.395 62.310 -0.915 1
1 927 . 18 1 1 A 90 90 SER CB C 90 63.424 62.621 0.803 1
1 928 . 18 1 1 A 90 90 SER N N 90 116.007 116.347 -0.340 1
1 929 . 18 1 1 A 91 91 VAL H H 91 7.653 7.532 0.121 1
1 930 . 18 1 1 A 91 91 VAL HA H 91 3.201 3.441 -0.240 1
1 938 . 18 1 1 A 91 91 VAL C C 91 176.991 177.555 -0.564 1
1 939 . 18 1 1 A 91 91 VAL CA C 91 66.851 65.016 1.835 1
1 940 . 18 1 1 A 91 91 VAL CB C 91 31.599 31.544 0.055 1
1 943 . 18 1 1 A 91 91 VAL N N 91 119.934 119.674 0.260 1
1 944 . 18 1 1 A 92 92 ASP H H 92 7.192 8.275 -1.083 1
1 945 . 18 1 1 A 92 92 ASP HA H 92 4.321 4.320 0.001 1
1 947 . 18 1 1 A 92 92 ASP C C 92 178.585 178.580 0.005 1
1 948 . 18 1 1 A 92 92 ASP CA C 92 57.401 57.322 0.079 1
1 949 . 18 1 1 A 92 92 ASP CB C 92 40.078 40.060 0.018 1
1 950 . 18 1 1 A 92 92 ASP N N 92 117.084 121.447 -4.363 1
1 951 . 18 1 1 A 93 93 ALA H H 93 6.946 7.838 -0.892 1
1 952 . 18 1 1 A 93 93 ALA HA H 93 4.186 4.175 0.011 1
1 956 . 18 1 1 A 93 93 ALA C C 93 179.272 179.973 -0.701 1
1 957 . 18 1 1 A 93 93 ALA CA C 93 54.445 54.687 -0.242 1
1 958 . 18 1 1 A 93 93 ALA CB C 93 18.164 18.246 -0.082 1
1 959 . 18 1 1 A 93 93 ALA N N 93 121.045 122.598 -1.553 1
1 960 . 18 1 1 A 94 94 ALA H H 94 8.033 7.753 0.280 1
1 961 . 18 1 1 A 94 94 ALA HA H 94 4.545 4.175 0.370 1
1 965 . 18 1 1 A 94 94 ALA C C 94 180.529 179.574 0.955 1
1 966 . 18 1 1 A 94 94 ALA CA C 94 55.518 55.153 0.365 1
1 967 . 18 1 1 A 94 94 ALA CB C 94 19.455 18.630 0.825 1
1 968 . 18 1 1 A 94 94 ALA N N 94 122.191 120.639 1.552 1
1 969 . 18 1 1 A 95 95 VAL H H 95 8.565 8.407 0.158 1
1 970 . 18 1 1 A 95 95 VAL HA H 95 3.741 3.979 -0.238 1
1 978 . 18 1 1 A 95 95 VAL C C 95 178.767 177.843 0.924 1
1 979 . 18 1 1 A 95 95 VAL CA C 95 65.820 64.872 0.948 1
1 980 . 18 1 1 A 95 95 VAL CB C 95 31.501 31.439 0.062 1
1 983 . 18 1 1 A 95 95 VAL N N 95 117.405 116.683 0.722 1
1 984 . 18 1 1 A 96 96 ALA H H 96 7.354 8.052 -0.698 1
1 985 . 18 1 1 A 96 96 ALA HA H 96 4.403 4.216 0.187 1
1 989 . 18 1 1 A 96 96 ALA C C 96 178.242 178.278 -0.036 1
1 990 . 18 1 1 A 96 96 ALA CA C 96 53.916 54.053 -0.137 1
1 991 . 18 1 1 A 96 96 ALA CB C 96 17.841 18.277 -0.436 1
1 992 . 18 1 1 A 96 96 ALA N N 96 122.769 123.789 -1.020 1
1 993 . 18 1 1 A 97 97 MET H H 97 7.980 8.062 -0.082 1
1 994 . 18 1 1 A 97 97 MET HA H 97 4.471 4.766 -0.295 1
1 1002 . 18 1 1 A 97 97 MET C C 97 175.959 176.544 -0.585 1
1 1003 . 18 1 1 A 97 97 MET CA C 97 55.150 54.748 0.402 1
1 1004 . 18 1 1 A 97 97 MET CB C 97 31.663 32.533 -0.870 1
1 1007 . 18 1 1 A 97 97 MET N N 97 115.573 116.205 -0.632 1
1 1008 . 18 1 1 A 98 98 ASP H H 98 7.852 8.515 -0.663 1
1 1009 . 18 1 1 A 98 98 ASP HA H 98 4.422 4.435 -0.013 1
1 1012 . 18 1 1 A 98 98 ASP C C 98 175.976 176.471 -0.495 1
1 1013 . 18 1 1 A 98 98 ASP CA C 98 57.476 56.719 0.757 1
1 1014 . 18 1 1 A 98 98 ASP CB C 98 42.008 40.425 1.583 1
1 1015 . 18 1 1 A 98 98 ASP N N 98 121.576 120.047 1.529 1
1 1016 . 18 1 1 A 99 99 GLU H H 99 8.643 7.778 0.865 1
1 1017 . 18 1 1 A 99 99 GLU HA H 99 4.154 4.727 -0.573 1
1 1022 . 18 1 1 A 99 99 GLU C C 99 176.369 175.423 0.946 1
1 1023 . 18 1 1 A 99 99 GLU CA C 99 58.403 55.289 3.114 1
1 1024 . 18 1 1 A 99 99 GLU CB C 99 26.214 30.967 -4.753 1
1 1026 . 18 1 1 A 99 99 GLU N N 99 119.455 118.967 0.488 1
1 1027 . 18 1 1 A 100 100 THR H H 100 7.416 8.284 -0.868 1
1 1028 . 18 1 1 A 100 100 THR HA H 100 4.498 4.882 -0.384 1
1 1033 . 18 1 1 A 100 100 THR C C 100 172.876 171.621 1.255 1
1 1034 . 18 1 1 A 100 100 THR CA C 100 61.065 60.439 0.626 1
1 1035 . 18 1 1 A 100 100 THR CB C 100 72.140 70.752 1.388 1
1 1037 . 18 1 1 A 100 100 THR N N 100 107.670 120.734 -13.064 1
1 1038 . 18 1 1 A 101 101 VAL H H 101 8.252 8.978 -0.726 1
1 1039 . 18 1 1 A 101 101 VAL HA H 101 4.638 5.173 -0.535 1
1 1047 . 18 1 1 A 101 101 VAL C C 101 176.138 174.184 1.954 1
1 1048 . 18 1 1 A 101 101 VAL CA C 101 62.299 59.720 2.579 1
1 1049 . 18 1 1 A 101 101 VAL CB C 101 32.215 33.933 -1.718 1
1 1052 . 18 1 1 A 101 101 VAL N N 101 118.227 122.842 -4.615 1
1 1053 . 18 1 1 A 102 102 PHE H H 102 9.300 9.601 -0.301 1
1 1054 . 18 1 1 A 102 102 PHE HA H 102 4.671 4.860 -0.189 1
1 1061 . 18 1 1 A 102 102 PHE C C 102 174.216 174.649 -0.433 1
1 1062 . 18 1 1 A 102 102 PHE CA C 102 56.205 57.343 -1.138 1
1 1063 . 18 1 1 A 102 102 PHE CB C 102 41.707 42.081 -0.374 1
1 1064 . 18 1 1 A 102 102 PHE N N 102 128.863 129.895 -1.032 1
1 1065 . 18 1 1 A 103 103 ARG H H 103 9.167 9.330 -0.163 1
1 1066 . 18 1 1 A 103 103 ARG HA H 103 3.389 3.746 -0.357 1
1 1075 . 18 1 1 A 103 103 ARG C C 103 176.014 176.355 -0.341 1
1 1076 . 18 1 1 A 103 103 ARG CA C 103 57.215 56.815 0.400 1
1 1077 . 18 1 1 A 103 103 ARG CB C 103 27.382 28.219 -0.837 1
1 1080 . 18 1 1 A 103 103 ARG N N 103 128.268 127.742 0.526 1
1 1082 . 18 1 1 A 104 104 GLY H H 104 8.005 8.518 -0.513 1
1 1083 . 18 1 1 A 104 104 GLY HA2 H 104 4.006 3.809 0.197 1
1 1084 . 18 1 1 A 104 104 GLY HA3 H 104 3.455 3.817 -0.362 1
1 1085 . 18 1 1 A 104 104 GLY C C 104 173.766 173.501 0.265 1
1 1086 . 18 1 1 A 104 104 GLY CA C 104 45.598 45.428 0.170 1
1 1087 . 18 1 1 A 104 104 GLY N N 104 101.324 103.714 -2.390 1
1 1088 . 18 1 1 A 105 105 ARG H H 105 7.681 7.360 0.321 1
1 1089 . 18 1 1 A 105 105 ARG HA H 105 4.735 4.908 -0.173 1
1 1097 . 18 1 1 A 105 105 ARG C C 105 174.543 174.663 -0.120 1
1 1098 . 18 1 1 A 105 105 ARG CA C 105 54.071 54.088 -0.017 1
1 1099 . 18 1 1 A 105 105 ARG CB C 105 33.159 33.710 -0.551 1
1 1102 . 18 1 1 A 105 105 ARG N N 105 119.837 115.916 3.921 1
1 1104 . 18 1 1 A 106 106 THR H H 106 8.604 8.705 -0.101 1
1 1105 . 18 1 1 A 106 106 THR HA H 106 4.593 5.178 -0.585 1
1 1110 . 18 1 1 A 106 106 THR C C 106 175.643 174.570 1.073 1
1 1111 . 18 1 1 A 106 106 THR CA C 106 62.821 62.920 -0.099 1
1 1112 . 18 1 1 A 106 106 THR CB C 106 68.784 69.478 -0.694 1
1 1114 . 18 1 1 A 106 106 THR N N 106 118.251 117.184 1.067 1
1 1115 . 18 1 1 A 107 107 ILE H H 107 8.756 9.148 -0.392 1
1 1116 . 18 1 1 A 107 107 ILE HA H 107 4.884 5.021 -0.137 1
1 1126 . 18 1 1 A 107 107 ILE C C 107 174.877 174.168 0.709 1
1 1127 . 18 1 1 A 107 107 ILE CA C 107 60.834 59.139 1.695 1
1 1128 . 18 1 1 A 107 107 ILE CB C 107 40.644 40.418 0.226 1
1 1132 . 18 1 1 A 107 107 ILE N N 107 123.422 123.841 -0.419 1
1 1133 . 18 1 1 A 108 108 LYS H H 108 7.412 8.289 -0.877 1
1 1134 . 18 1 1 A 108 108 LYS HA H 108 5.524 5.790 -0.266 1
1 1141 . 18 1 1 A 108 108 LYS C C 108 175.839 174.026 1.813 1
1 1142 . 18 1 1 A 108 108 LYS CA C 108 52.172 54.775 -2.603 1
1 1143 . 18 1 1 A 108 108 LYS CB C 108 33.947 36.041 -2.094 1
1 1147 . 18 1 1 A 108 108 LYS N N 108 121.402 122.105 -0.703 1
1 1148 . 18 1 1 A 109 109 VAL H H 109 9.467 9.041 0.426 1
1 1149 . 18 1 1 A 109 109 VAL HA H 109 5.410 5.857 -0.447 1
1 1157 . 18 1 1 A 109 109 VAL C C 109 174.514 174.681 -0.167 1
1 1158 . 18 1 1 A 109 109 VAL CA C 109 61.258 60.181 1.077 1
1 1159 . 18 1 1 A 109 109 VAL CB C 109 34.289 34.797 -0.508 1
1 1162 . 18 1 1 A 109 109 VAL N N 109 125.530 125.711 -0.181 1
1 1163 . 18 1 1 A 110 110 LEU H H 110 9.081 8.759 0.322 1
1 1164 . 18 1 1 A 110 110 LEU HA H 110 5.109 5.088 0.021 1
1 1173 . 18 1 1 A 110 110 LEU CA C 110 51.660 51.239 0.421 1
1 1174 . 18 1 1 A 110 110 LEU CB C 110 46.037 44.823 1.214 1
1 1178 . 18 1 1 A 110 110 LEU N N 110 125.323 126.309 -0.986 1
1 1179 . 18 1 1 A 111 111 PRO HA H 111 4.539 4.620 -0.081 1
1 1186 . 18 1 1 A 111 111 PRO C C 111 176.222 176.289 -0.067 1
1 1187 . 18 1 1 A 111 111 PRO CA C 111 63.390 63.019 0.371 1
1 1188 . 18 1 1 A 111 111 PRO CB C 111 31.697 32.042 -0.345 1
1 1191 . 18 1 1 A 112 112 LYS H H 112 8.121 8.526 -0.405 1
1 1192 . 18 1 1 A 112 112 LYS HA H 112 4.113 4.676 -0.563 1
1 1199 . 18 1 1 A 112 112 LYS C C 112 175.830 175.448 0.382 1
1 1200 . 18 1 1 A 112 112 LYS CA C 112 58.405 56.231 2.174 1
1 1201 . 18 1 1 A 112 112 LYS CB C 112 33.746 33.076 0.670 1
1 1204 . 18 1 1 A 112 112 LYS N N 112 124.317 122.249 2.068 1
1 1205 . 18 1 1 A 113 113 ARG H H 113 8.228 8.704 -0.476 1
1 1206 . 18 1 1 A 113 113 ARG HA H 113 4.451 5.065 -0.614 1
1 1211 . 18 1 1 A 113 113 ARG C C 113 175.758 174.467 1.291 1
1 1212 . 18 1 1 A 113 113 ARG CA C 113 55.468 54.730 0.738 1
1 1213 . 18 1 1 A 113 113 ARG CB C 113 31.550 33.807 -2.257 1
1 1215 . 18 1 1 A 113 113 ARG N N 113 121.228 128.147 -6.919 1
1 1216 . 18 1 1 A 114 114 THR H H 114 8.138 8.487 -0.349 1
1 1217 . 18 1 1 A 114 114 THR HA H 114 4.264 4.531 -0.267 1
1 1222 . 18 1 1 A 114 114 THR C C 114 174.043 173.881 0.162 1
1 1223 . 18 1 1 A 114 114 THR CA C 114 62.229 63.051 -0.822 1
1 1224 . 18 1 1 A 114 114 THR CB C 114 69.682 68.702 0.980 1
1 1226 . 18 1 1 A 114 114 THR N N 114 116.384 122.583 -6.199 1
1 1227 . 18 1 1 A 115 115 ASN H H 115 8.406 9.021 -0.615 1
1 1228 . 18 1 1 A 115 115 ASN HA H 115 4.682 4.933 -0.251 1
1 1233 . 18 1 1 A 115 115 ASN C C 115 174.513 174.887 -0.374 1
1 1234 . 18 1 1 A 115 115 ASN CA C 115 53.242 52.803 0.439 1
1 1235 . 18 1 1 A 115 115 ASN CB C 115 38.888 39.019 -0.131 1
1 1236 . 18 1 1 A 115 115 ASN N N 115 120.871 126.784 -5.913 1
1 1238 . 18 1 1 A 116 116 MET H H 116 8.138 8.296 -0.158 1
1 1239 . 18 1 1 A 116 116 MET CA C 116 53.400 52.772 0.628 1
1 1240 . 18 1 1 A 116 116 MET CB C 116 32.829 34.984 -2.155 1
1 1241 . 18 1 1 A 116 116 MET N N 116 121.611 125.100 -3.489 1
1 1242 . 18 1 1 A 117 117 PRO HA H 117 4.428 4.395 0.033 1
1 1245 . 18 1 1 A 117 117 PRO C C 117 175.935 176.526 -0.591 1
1 1246 . 18 1 1 A 117 117 PRO CA C 117 63.489 65.164 -1.675 1
1 1247 . 18 1 1 A 117 117 PRO CB C 117 32.105 31.907 0.198 1
1 1248 . 18 1 1 A 118 118 GLY H H 118 8.411 6.749 1.662 1
1 1249 . 18 1 1 A 118 118 GLY HA2 H 118 3.927 4.050 -0.123 1
1 1250 . 18 1 1 A 118 118 GLY HA3 H 118 4.389 4.051 0.338 1
1 1251 . 18 1 1 A 118 118 GLY C C 118 174.117 171.882 2.235 1
1 1252 . 18 1 1 A 118 118 GLY CA C 118 45.470 45.311 0.159 1
1 1253 . 18 1 1 A 118 118 GLY N N 118 109.241 102.267 6.974 1
1 1254 . 18 1 1 A 119 119 ILE H H 119 7.825 8.589 -0.764 1
1 1255 . 18 1 1 A 119 119 ILE HA H 119 4.234 4.310 -0.076 1
1 1265 . 18 1 1 A 119 119 ILE C C 119 176.261 175.478 0.783 1
1 1266 . 18 1 1 A 119 119 ILE CA C 119 61.029 61.014 0.015 1
1 1267 . 18 1 1 A 119 119 ILE CB C 119 38.878 36.407 2.471 1
1 1270 . 18 1 1 A 119 119 ILE N N 119 119.504 123.134 -3.630 1
1 1271 . 18 1 1 A 120 120 SER H H 120 8.397 8.297 0.100 1
1 1272 . 18 1 1 A 120 120 SER HA H 120 4.534 4.703 -0.169 1
1 1274 . 18 1 1 A 120 120 SER C C 120 174.692 173.735 0.957 1
1 1275 . 18 1 1 A 120 120 SER CA C 120 58.150 59.263 -1.113 1
1 1276 . 18 1 1 A 120 120 SER CB C 120 63.997 66.097 -2.100 1
1 1277 . 18 1 1 A 120 120 SER N N 120 119.359 123.306 -3.947 1
1 1278 . 18 1 1 A 121 121 SER H H 121 8.371 7.461 0.910 1
1 1279 . 18 1 1 A 121 121 SER HA H 121 4.360 4.500 -0.140 1
1 1280 . 18 1 1 A 121 121 SER C C 121 174.809 174.674 0.135 1
1 1281 . 18 1 1 A 121 121 SER CA C 121 58.656 58.871 -0.215 1
1 1282 . 18 1 1 A 121 121 SER CB C 121 63.795 62.689 1.106 1
1 1283 . 18 1 1 A 121 121 SER N N 121 118.036 113.624 4.412 1
1 1284 . 18 1 1 A 122 122 THR H H 122 8.100 8.458 -0.358 1
1 1285 . 18 1 1 A 122 122 THR C C 122 174.254 172.880 1.374 1
1 1286 . 18 1 1 A 122 122 THR CA C 122 61.829 62.300 -0.471 1
1 1287 . 18 1 1 A 122 122 THR CB C 122 69.537 67.023 2.514 1
1 1288 . 18 1 1 A 122 122 THR N N 122 114.163 113.729 0.434 1
1 1289 . 18 1 1 A 123 123 ASP H H 123 8.197 8.160 0.037 1
1 1290 . 18 1 1 A 123 123 ASP HA H 123 4.641 4.748 -0.107 1
1 1292 . 18 1 1 A 123 123 ASP C C 123 174.975 175.126 -0.151 1
1 1293 . 18 1 1 A 123 123 ASP CA C 123 54.542 53.320 1.222 1
1 1294 . 18 1 1 A 123 123 ASP CB C 123 41.144 41.095 0.049 1
1 1295 . 18 1 1 A 123 123 ASP N N 123 122.772 121.443 1.329 1
1 8 . 19 1 1 A 2 2 ILE H H 2 8.420 8.542 -0.122 1
1 9 . 19 1 1 A 2 2 ILE HA H 2 4.219 4.840 -0.621 1
1 11 . 19 1 1 A 2 2 ILE C C 2 175.424 175.028 0.396 1
1 12 . 19 1 1 A 2 2 ILE CA C 2 61.022 59.148 1.874 1
1 13 . 19 1 1 A 2 2 ILE CB C 2 38.918 40.859 -1.941 1
1 14 . 19 1 1 A 2 2 ILE N N 2 120.314 113.665 6.649 1
1 15 . 19 1 1 A 3 3 ALA H H 3 8.374 8.620 -0.246 1
1 16 . 19 1 1 A 3 3 ALA CA C 3 50.509 50.687 -0.178 1
1 17 . 19 1 1 A 3 3 ALA CB C 3 18.608 18.017 0.591 1
1 18 . 19 1 1 A 3 3 ALA N N 3 129.874 125.819 4.055 1
1 19 . 19 1 1 A 4 4 PRO HA H 4 4.446 4.529 -0.083 1
1 22 . 19 1 1 A 4 4 PRO C C 4 176.949 176.793 0.156 1
1 23 . 19 1 1 A 4 4 PRO CA C 4 63.456 62.642 0.814 1
1 24 . 19 1 1 A 4 4 PRO CB C 4 32.203 31.900 0.303 1
1 25 . 19 1 1 A 5 5 CYS H H 5 8.347 8.467 -0.120 1
1 26 . 19 1 1 A 5 5 CYS HA H 5 4.492 4.621 -0.129 1
1 28 . 19 1 1 A 5 5 CYS C C 5 174.805 174.880 -0.075 1
1 29 . 19 1 1 A 5 5 CYS CA C 5 58.495 58.658 -0.163 1
1 30 . 19 1 1 A 5 5 CYS CB C 5 27.957 27.739 0.218 1
1 31 . 19 1 1 A 5 5 CYS N N 5 118.477 121.907 -3.430 1
1 32 . 19 1 1 A 6 6 MET H H 6 8.421 8.716 -0.295 1
1 33 . 19 1 1 A 6 6 MET HA H 6 4.534 4.789 -0.255 1
1 35 . 19 1 1 A 6 6 MET C C 6 176.132 175.438 0.694 1
1 36 . 19 1 1 A 6 6 MET CA C 6 55.629 54.306 1.323 1
1 37 . 19 1 1 A 6 6 MET CB C 6 33.048 33.784 -0.736 1
1 38 . 19 1 1 A 6 6 MET N N 6 122.952 124.869 -1.917 1
1 39 . 19 1 1 A 7 7 GLN H H 7 8.313 8.557 -0.244 1
1 40 . 19 1 1 A 7 7 GLN HA H 7 4.435 5.188 -0.753 1
1 42 . 19 1 1 A 7 7 GLN C C 7 176.128 175.035 1.093 1
1 43 . 19 1 1 A 7 7 GLN CA C 7 56.109 54.190 1.919 1
1 44 . 19 1 1 A 7 7 GLN CB C 7 29.591 31.975 -2.384 1
1 45 . 19 1 1 A 7 7 GLN N N 7 121.379 119.590 1.789 1
1 46 . 19 1 1 A 8 8 THR H H 8 8.195 8.807 -0.612 1
1 47 . 19 1 1 A 8 8 THR HA H 8 4.406 4.739 -0.333 1
1 49 . 19 1 1 A 8 8 THR C C 8 174.739 173.443 1.296 1
1 50 . 19 1 1 A 8 8 THR CA C 8 61.856 61.334 0.522 1
1 51 . 19 1 1 A 8 8 THR CB C 8 69.854 70.706 -0.852 1
1 52 . 19 1 1 A 8 8 THR N N 8 115.096 116.569 -1.473 1
1 53 . 19 1 1 A 9 9 THR H H 9 8.081 8.800 -0.719 1
1 54 . 19 1 1 A 9 9 THR HA H 9 4.335 4.966 -0.631 1
1 56 . 19 1 1 A 9 9 THR C C 9 174.407 174.652 -0.245 1
1 57 . 19 1 1 A 9 9 THR CA C 9 61.896 60.704 1.192 1
1 58 . 19 1 1 A 9 9 THR CB C 9 69.811 70.135 -0.324 1
1 59 . 19 1 1 A 9 9 THR N N 9 115.837 120.952 -5.115 1
1 60 . 19 1 1 A 10 10 HIS H H 10 8.477 9.143 -0.666 1
1 61 . 19 1 1 A 10 10 HIS HA H 10 4.788 4.813 -0.025 1
1 64 . 19 1 1 A 10 10 HIS C C 10 174.571 175.443 -0.872 1
1 65 . 19 1 1 A 10 10 HIS CA C 10 55.477 56.135 -0.658 1
1 66 . 19 1 1 A 10 10 HIS CB C 10 29.291 31.810 -2.519 1
1 67 . 19 1 1 A 10 10 HIS N N 10 120.606 123.110 -2.504 1
1 68 . 19 1 1 A 11 11 SER H H 11 8.306 8.806 -0.500 1
1 69 . 19 1 1 A 11 11 SER HA H 11 4.448 4.605 -0.157 1
1 71 . 19 1 1 A 11 11 SER C C 11 174.512 174.572 -0.060 1
1 72 . 19 1 1 A 11 11 SER CA C 11 58.557 57.831 0.726 1
1 73 . 19 1 1 A 11 11 SER CB C 11 63.943 64.066 -0.123 1
1 74 . 19 1 1 A 11 11 SER N N 11 117.043 116.914 0.129 1
1 75 . 19 1 1 A 12 12 LYS H H 12 8.402 8.494 -0.092 1
1 76 . 19 1 1 A 12 12 LYS HA H 12 4.359 4.567 -0.208 1
1 79 . 19 1 1 A 12 12 LYS C C 12 176.592 176.888 -0.296 1
1 80 . 19 1 1 A 12 12 LYS CA C 12 56.634 55.505 1.129 1
1 81 . 19 1 1 A 12 12 LYS CB C 12 33.127 33.223 -0.096 1
1 82 . 19 1 1 A 12 12 LYS N N 12 123.023 124.322 -1.299 1
1 83 . 19 1 1 A 13 13 MET H H 13 8.343 8.678 -0.335 1
1 84 . 19 1 1 A 13 13 MET HA H 13 4.530 4.671 -0.141 1
1 88 . 19 1 1 A 13 13 MET C C 13 176.373 176.303 0.070 1
1 89 . 19 1 1 A 13 13 MET CA C 13 55.680 53.943 1.737 1
1 90 . 19 1 1 A 13 13 MET CB C 13 32.925 31.449 1.476 1
1 91 . 19 1 1 A 13 13 MET N N 13 121.294 120.753 0.541 1
1 92 . 19 1 1 A 14 14 THR H H 14 8.068 8.097 -0.029 1
1 93 . 19 1 1 A 14 14 THR HA H 14 4.333 4.693 -0.360 1
1 97 . 19 1 1 A 14 14 THR C C 14 174.246 174.631 -0.385 1
1 98 . 19 1 1 A 14 14 THR CA C 14 61.770 61.397 0.373 1
1 99 . 19 1 1 A 14 14 THR CB C 14 69.894 69.916 -0.022 1
1 100 . 19 1 1 A 14 14 THR N N 14 115.254 115.814 -0.560 1
1 101 . 19 1 1 A 15 15 ALA H H 15 8.289 8.577 -0.288 1
1 102 . 19 1 1 A 15 15 ALA HA H 15 4.344 4.630 -0.286 1
1 106 . 19 1 1 A 15 15 ALA C C 15 178.080 177.957 0.123 1
1 107 . 19 1 1 A 15 15 ALA CA C 15 52.779 51.433 1.346 1
1 108 . 19 1 1 A 15 15 ALA CB C 15 19.286 20.550 -1.264 1
1 109 . 19 1 1 A 15 15 ALA N N 15 126.372 127.651 -1.279 1
1 110 . 19 1 1 A 16 16 GLY H H 16 8.291 8.656 -0.365 1
1 111 . 19 1 1 A 16 16 GLY HA2 H 16 3.913 3.960 -0.047 1
1 112 . 19 1 1 A 16 16 GLY C C 16 173.788 174.298 -0.510 1
1 113 . 19 1 1 A 16 16 GLY CA C 16 45.298 46.491 -1.193 1
1 114 . 19 1 1 A 16 16 GLY N N 16 108.095 109.149 -1.054 1
1 115 . 19 1 1 A 17 17 ALA H H 17 8.000 7.512 0.488 1
1 116 . 19 1 1 A 17 17 ALA HA H 17 4.292 4.384 -0.092 1
1 120 . 19 1 1 A 17 17 ALA C C 17 177.366 175.646 1.720 1
1 121 . 19 1 1 A 17 17 ALA CA C 17 52.518 50.740 1.778 1
1 122 . 19 1 1 A 17 17 ALA CB C 17 19.577 19.510 0.067 1
1 123 . 19 1 1 A 17 17 ALA N N 17 123.370 122.590 0.780 1
1 124 . 19 1 1 A 18 18 TYR H H 18 8.135 9.005 -0.870 1
1 125 . 19 1 1 A 18 18 TYR HA H 18 4.640 4.817 -0.177 1
1 129 . 19 1 1 A 18 18 TYR C C 18 176.031 175.937 0.094 1
1 130 . 19 1 1 A 18 18 TYR CA C 18 57.973 59.305 -1.332 1
1 131 . 19 1 1 A 18 18 TYR CB C 18 38.661 40.675 -2.014 1
1 132 . 19 1 1 A 18 18 TYR N N 18 119.212 122.523 -3.311 1
1 133 . 19 1 1 A 19 19 THR H H 19 7.912 7.969 -0.057 1
1 134 . 19 1 1 A 19 19 THR HA H 19 4.267 4.793 -0.526 1
1 139 . 19 1 1 A 19 19 THR C C 19 173.995 172.960 1.035 1
1 140 . 19 1 1 A 19 19 THR CA C 19 61.848 60.027 1.821 1
1 141 . 19 1 1 A 19 19 THR CB C 19 69.756 71.203 -1.447 1
1 142 . 19 1 1 A 19 19 THR N N 19 115.764 111.585 4.179 1
1 143 . 19 1 1 A 20 20 GLU H H 20 8.077 8.966 -0.889 1
1 144 . 19 1 1 A 20 20 GLU HA H 20 4.301 4.685 -0.384 1
1 148 . 19 1 1 A 20 20 GLU C C 20 176.128 177.270 -1.142 1
1 149 . 19 1 1 A 20 20 GLU CA C 20 56.312 55.731 0.581 1
1 150 . 19 1 1 A 20 20 GLU CB C 20 30.423 32.231 -1.808 1
1 152 . 19 1 1 A 20 20 GLU N N 20 122.553 125.213 -2.660 1
1 153 . 19 1 1 A 21 21 GLY H H 21 7.966 8.198 -0.232 1
1 154 . 19 1 1 A 21 21 GLY HA2 H 21 3.903 4.032 -0.129 1
1 155 . 19 1 1 A 21 21 GLY CA C 21 44.257 44.723 -0.466 1
1 156 . 19 1 1 A 21 21 GLY N N 21 109.544 109.254 0.290 1
1 157 . 19 1 1 A 22 22 PRO HA H 22 4.232 4.402 -0.170 1
1 164 . 19 1 1 A 22 22 PRO CA C 22 61.109 64.993 -3.884 1
1 165 . 19 1 1 A 22 22 PRO CB C 22 30.711 31.847 -1.136 1
1 168 . 19 1 1 A 23 23 PRO HA H 23 4.363 4.657 -0.294 1
1 174 . 19 1 1 A 23 23 PRO C C 23 176.567 175.739 0.828 1
1 175 . 19 1 1 A 23 23 PRO CA C 23 62.733 62.356 0.377 1
1 176 . 19 1 1 A 23 23 PRO CB C 23 32.048 32.563 -0.515 1
1 179 . 19 1 1 A 24 24 GLN H H 24 8.286 8.498 -0.212 1
1 180 . 19 1 1 A 24 24 GLN HA H 24 4.479 4.865 -0.386 1
1 186 . 19 1 1 A 24 24 GLN CA C 24 53.763 52.160 1.603 1
1 187 . 19 1 1 A 24 24 GLN CB C 24 28.800 29.323 -0.523 1
1 189 . 19 1 1 A 24 24 GLN N N 24 121.215 119.578 1.637 1
1 191 . 19 1 1 A 25 25 PRO HA H 25 4.389 4.824 -0.435 1
1 198 . 19 1 1 A 25 25 PRO C C 25 176.707 175.921 0.786 1
1 199 . 19 1 1 A 25 25 PRO CA C 25 62.867 62.424 0.443 1
1 200 . 19 1 1 A 25 25 PRO CB C 25 32.174 30.647 1.527 1
1 203 . 19 1 1 A 26 26 LEU H H 26 8.244 8.247 -0.003 1
1 204 . 19 1 1 A 26 26 LEU HA H 26 4.405 4.896 -0.491 1
1 214 . 19 1 1 A 26 26 LEU C C 26 177.517 176.075 1.442 1
1 215 . 19 1 1 A 26 26 LEU CA C 26 54.643 53.174 1.469 1
1 216 . 19 1 1 A 26 26 LEU CB C 26 43.618 46.201 -2.583 1
1 220 . 19 1 1 A 26 26 LEU N N 26 122.745 125.193 -2.448 1
1 221 . 19 1 1 A 27 27 SER H H 27 8.758 8.764 -0.006 1
1 222 . 19 1 1 A 27 27 SER HA H 27 4.474 4.540 -0.066 1
1 225 . 19 1 1 A 27 27 SER C C 27 174.789 175.840 -1.051 1
1 226 . 19 1 1 A 27 27 SER CA C 27 57.461 58.627 -1.166 1
1 227 . 19 1 1 A 27 27 SER CB C 27 65.280 64.054 1.226 1
1 228 . 19 1 1 A 27 27 SER N N 27 117.967 116.714 1.253 1
1 229 . 19 1 1 A 28 28 ALA H H 28 8.841 8.999 -0.158 1
1 230 . 19 1 1 A 28 28 ALA HA H 28 4.037 4.001 0.036 1
1 234 . 19 1 1 A 28 28 ALA CA C 28 55.346 55.523 -0.177 1
1 235 . 19 1 1 A 28 28 ALA CB C 28 18.347 18.117 0.230 1
1 236 . 19 1 1 A 28 28 ALA N N 28 124.144 126.837 -2.693 1
1 237 . 19 1 1 A 29 29 GLU H H 29 8.565 8.177 0.388 1
1 238 . 19 1 1 A 29 29 GLU HA H 29 4.026 4.018 0.008 1
1 242 . 19 1 1 A 29 29 GLU C C 29 178.877 179.560 -0.683 1
1 243 . 19 1 1 A 29 29 GLU CA C 29 59.430 59.508 -0.078 1
1 244 . 19 1 1 A 29 29 GLU CB C 29 29.244 29.056 0.188 1
1 246 . 19 1 1 A 29 29 GLU N N 29 117.527 117.852 -0.325 1
1 247 . 19 1 1 A 30 30 GLU H H 30 7.823 8.223 -0.400 1
1 248 . 19 1 1 A 30 30 GLU HA H 30 4.054 4.082 -0.028 1
1 253 . 19 1 1 A 30 30 GLU C C 30 179.191 179.509 -0.318 1
1 254 . 19 1 1 A 30 30 GLU CA C 30 59.037 59.086 -0.049 1
1 255 . 19 1 1 A 30 30 GLU CB C 30 30.102 29.417 0.685 1
1 257 . 19 1 1 A 30 30 GLU N N 30 120.773 120.732 0.041 1
1 258 . 19 1 1 A 31 31 LYS H H 31 8.246 7.608 0.638 1
1 259 . 19 1 1 A 31 31 LYS HA H 31 3.844 4.157 -0.313 1
1 266 . 19 1 1 A 31 31 LYS C C 31 177.968 179.401 -1.433 1
1 267 . 19 1 1 A 31 31 LYS CA C 31 59.889 59.078 0.811 1
1 268 . 19 1 1 A 31 31 LYS CB C 31 32.350 32.485 -0.135 1
1 272 . 19 1 1 A 31 31 LYS N N 31 119.315 119.489 -0.174 1
1 273 . 19 1 1 A 32 32 LYS H H 32 7.698 7.788 -0.090 1
1 274 . 19 1 1 A 32 32 LYS HA H 32 4.043 3.971 0.072 1
1 282 . 19 1 1 A 32 32 LYS C C 32 178.848 179.873 -1.025 1
1 283 . 19 1 1 A 32 32 LYS CA C 32 59.479 60.011 -0.532 1
1 284 . 19 1 1 A 32 32 LYS CB C 32 32.459 31.943 0.516 1
1 288 . 19 1 1 A 32 32 LYS N N 32 118.195 120.088 -1.893 1
1 289 . 19 1 1 A 33 33 GLU H H 33 7.512 7.781 -0.269 1
1 290 . 19 1 1 A 33 33 GLU HA H 33 4.031 4.081 -0.050 1
1 295 . 19 1 1 A 33 33 GLU C C 33 178.989 179.637 -0.648 1
1 296 . 19 1 1 A 33 33 GLU CA C 33 59.157 59.085 0.072 1
1 297 . 19 1 1 A 33 33 GLU CB C 33 29.220 29.558 -0.338 1
1 299 . 19 1 1 A 33 33 GLU N N 33 118.459 120.068 -1.609 1
1 300 . 19 1 1 A 34 34 ILE H H 34 7.912 7.509 0.403 1
1 301 . 19 1 1 A 34 34 ILE HA H 34 3.503 3.864 -0.361 1
1 311 . 19 1 1 A 34 34 ILE C C 34 180.639 177.875 2.764 1
1 312 . 19 1 1 A 34 34 ILE CA C 34 65.305 63.941 1.364 1
1 313 . 19 1 1 A 34 34 ILE CB C 34 38.540 37.407 1.133 1
1 317 . 19 1 1 A 34 34 ILE N N 34 120.176 117.763 2.413 1
1 318 . 19 1 1 A 35 35 ASP H H 35 8.457 7.879 0.578 1
1 319 . 19 1 1 A 35 35 ASP HA H 35 4.145 4.419 -0.274 1
1 322 . 19 1 1 A 35 35 ASP C C 35 178.790 179.481 -0.691 1
1 323 . 19 1 1 A 35 35 ASP CA C 35 58.322 57.318 1.004 1
1 324 . 19 1 1 A 35 35 ASP CB C 35 39.538 39.959 -0.421 1
1 325 . 19 1 1 A 35 35 ASP N N 35 123.589 121.974 1.615 1
1 326 . 19 1 1 A 36 36 LYS H H 36 7.573 8.102 -0.529 1
1 327 . 19 1 1 A 36 36 LYS HA H 36 4.187 4.153 0.034 1
1 334 . 19 1 1 A 36 36 LYS C C 36 176.400 178.033 -1.633 1
1 335 . 19 1 1 A 36 36 LYS CA C 36 58.656 59.076 -0.420 1
1 336 . 19 1 1 A 36 36 LYS CB C 36 32.991 32.110 0.881 1
1 340 . 19 1 1 A 36 36 LYS N N 36 117.506 120.302 -2.796 1
1 341 . 19 1 1 A 37 37 ARG H H 37 7.397 7.388 0.009 1
1 342 . 19 1 1 A 37 37 ARG HA H 37 4.658 4.575 0.083 1
1 348 . 19 1 1 A 37 37 ARG C C 37 174.361 175.144 -0.783 1
1 349 . 19 1 1 A 37 37 ARG CA C 37 55.793 55.339 0.454 1
1 350 . 19 1 1 A 37 37 ARG CB C 37 31.260 30.042 1.218 1
1 353 . 19 1 1 A 37 37 ARG N N 37 115.182 117.401 -2.219 1
1 354 . 19 1 1 A 38 38 SER H H 38 7.416 7.361 0.055 1
1 355 . 19 1 1 A 38 38 SER HA H 38 6.346 5.283 1.063 1
1 358 . 19 1 1 A 38 38 SER C C 38 173.807 173.165 0.642 1
1 359 . 19 1 1 A 38 38 SER CA C 38 57.574 56.069 1.505 1
1 360 . 19 1 1 A 38 38 SER CB C 38 67.003 66.432 0.571 1
1 361 . 19 1 1 A 38 38 SER N N 38 112.872 116.378 -3.506 1
1 362 . 19 1 1 A 39 39 VAL H H 39 8.812 9.040 -0.228 1
1 363 . 19 1 1 A 39 39 VAL HA H 39 5.117 5.173 -0.056 1
1 371 . 19 1 1 A 39 39 VAL C C 39 174.519 173.165 1.354 1
1 372 . 19 1 1 A 39 39 VAL CA C 39 59.085 59.078 0.007 1
1 373 . 19 1 1 A 39 39 VAL CB C 39 34.476 35.986 -1.510 1
1 376 . 19 1 1 A 39 39 VAL N N 39 111.961 117.957 -5.996 1
1 377 . 19 1 1 A 40 40 TYR H H 40 9.366 9.319 0.047 1
1 378 . 19 1 1 A 40 40 TYR HA H 40 5.108 4.294 0.814 1
1 385 . 19 1 1 A 40 40 TYR C C 40 172.976 173.663 -0.687 1
1 386 . 19 1 1 A 40 40 TYR CA C 40 56.633 55.607 1.026 1
1 387 . 19 1 1 A 40 40 TYR CB C 40 41.058 41.018 0.040 1
1 390 . 19 1 1 A 40 40 TYR N N 40 123.743 124.467 -0.724 1
1 391 . 19 1 1 A 41 41 VAL H H 41 8.734 9.114 -0.380 1
1 392 . 19 1 1 A 41 41 VAL HA H 41 4.876 4.946 -0.070 1
1 400 . 19 1 1 A 41 41 VAL C C 41 174.651 175.046 -0.395 1
1 401 . 19 1 1 A 41 41 VAL CA C 41 59.798 60.630 -0.832 1
1 402 . 19 1 1 A 41 41 VAL CB C 41 33.329 33.479 -0.150 1
1 405 . 19 1 1 A 41 41 VAL N N 41 127.436 126.863 0.573 1
1 406 . 19 1 1 A 42 42 GLY H H 42 9.669 8.821 0.848 1
1 407 . 19 1 1 A 42 42 GLY HA2 H 42 3.612 3.919 -0.307 1
1 408 . 19 1 1 A 42 42 GLY HA3 H 42 4.392 4.021 0.371 1
1 409 . 19 1 1 A 42 42 GLY C C 42 173.639 174.563 -0.924 1
1 410 . 19 1 1 A 42 42 GLY CA C 42 44.169 43.601 0.568 1
1 411 . 19 1 1 A 42 42 GLY N N 42 113.263 114.811 -1.548 1
1 412 . 19 1 1 A 43 43 ASN H H 43 8.412 8.994 -0.582 1
1 413 . 19 1 1 A 43 43 ASN HA H 43 4.510 4.379 0.131 1
1 418 . 19 1 1 A 43 43 ASN C C 43 174.364 174.589 -0.225 1
1 419 . 19 1 1 A 43 43 ASN CA C 43 53.557 53.991 -0.434 1
1 420 . 19 1 1 A 43 43 ASN CB C 43 37.283 37.145 0.138 1
1 421 . 19 1 1 A 43 43 ASN N N 43 115.451 119.102 -3.651 1
1 423 . 19 1 1 A 44 44 VAL H H 44 7.083 7.760 -0.677 1
1 424 . 19 1 1 A 44 44 VAL HA H 44 3.975 4.816 -0.841 1
1 432 . 19 1 1 A 44 44 VAL C C 44 175.885 173.830 2.055 1
1 433 . 19 1 1 A 44 44 VAL CA C 44 61.614 60.037 1.577 1
1 434 . 19 1 1 A 44 44 VAL CB C 44 32.914 34.088 -1.174 1
1 437 . 19 1 1 A 44 44 VAL N N 44 115.399 119.739 -4.340 1
1 438 . 19 1 1 A 45 45 ASP H H 45 8.305 8.838 -0.533 1
1 439 . 19 1 1 A 45 45 ASP HA H 45 4.467 5.003 -0.536 1
1 442 . 19 1 1 A 45 45 ASP C C 45 177.205 175.765 1.440 1
1 443 . 19 1 1 A 45 45 ASP CA C 45 54.613 53.031 1.582 1
1 444 . 19 1 1 A 45 45 ASP CB C 45 43.657 44.447 -0.790 1
1 445 . 19 1 1 A 45 45 ASP N N 45 124.440 127.455 -3.015 1
1 446 . 19 1 1 A 46 46 TYR H H 46 8.715 8.643 0.072 1
1 447 . 19 1 1 A 46 46 TYR HA H 46 4.483 4.076 0.407 1
1 454 . 19 1 1 A 46 46 TYR C C 46 175.453 176.634 -1.181 1
1 455 . 19 1 1 A 46 46 TYR CA C 46 59.464 59.834 -0.370 1
1 456 . 19 1 1 A 46 46 TYR CB C 46 38.753 38.053 0.700 1
1 458 . 19 1 1 A 46 46 TYR N N 46 125.588 120.577 5.011 1
1 459 . 19 1 1 A 47 47 GLY H H 47 8.387 8.737 -0.350 1
1 460 . 19 1 1 A 47 47 GLY HA2 H 47 3.561 4.034 -0.473 1
1 461 . 19 1 1 A 47 47 GLY HA3 H 47 4.348 4.050 0.298 1
1 462 . 19 1 1 A 47 47 GLY C C 47 173.578 174.794 -1.216 1
1 463 . 19 1 1 A 47 47 GLY CA C 47 44.965 45.453 -0.488 1
1 464 . 19 1 1 A 47 47 GLY N N 47 106.974 113.257 -6.283 1
1 465 . 19 1 1 A 48 48 SER H H 48 7.417 7.615 -0.198 1
1 466 . 19 1 1 A 48 48 SER HA H 48 4.428 4.623 -0.195 1
1 468 . 19 1 1 A 48 48 SER C C 48 173.220 174.818 -1.598 1
1 469 . 19 1 1 A 48 48 SER CA C 48 59.892 59.133 0.759 1
1 470 . 19 1 1 A 48 48 SER CB C 48 64.519 64.452 0.067 1
1 471 . 19 1 1 A 48 48 SER N N 48 115.423 117.090 -1.667 1
1 472 . 19 1 1 A 49 49 THR H H 49 8.474 8.989 -0.515 1
1 473 . 19 1 1 A 49 49 THR HA H 49 4.660 4.916 -0.256 1
1 478 . 19 1 1 A 49 49 THR C C 49 175.940 176.075 -0.135 1
1 479 . 19 1 1 A 49 49 THR CA C 49 58.831 59.706 -0.875 1
1 480 . 19 1 1 A 49 49 THR CB C 49 72.585 72.183 0.402 1
1 482 . 19 1 1 A 49 49 THR N N 49 112.103 115.681 -3.578 1
1 483 . 19 1 1 A 50 50 ALA H H 50 9.723 9.022 0.701 1
1 484 . 19 1 1 A 50 50 ALA HA H 50 3.923 4.022 -0.099 1
1 488 . 19 1 1 A 50 50 ALA C C 50 179.045 179.700 -0.655 1
1 489 . 19 1 1 A 50 50 ALA CA C 50 55.643 55.198 0.445 1
1 490 . 19 1 1 A 50 50 ALA CB C 50 18.259 18.040 0.219 1
1 491 . 19 1 1 A 50 50 ALA N N 50 123.988 123.793 0.195 1
1 492 . 19 1 1 A 51 51 GLN H H 51 7.730 8.110 -0.380 1
1 493 . 19 1 1 A 51 51 GLN HA H 51 3.940 3.993 -0.053 1
1 500 . 19 1 1 A 51 51 GLN C C 51 178.215 178.105 0.110 1
1 501 . 19 1 1 A 51 51 GLN CA C 51 59.096 58.544 0.552 1
1 502 . 19 1 1 A 51 51 GLN CB C 51 28.508 28.343 0.165 1
1 504 . 19 1 1 A 51 51 GLN N N 51 116.375 118.018 -1.643 1
1 505 . 19 1 1 A 52 52 ASP H H 52 8.273 7.945 0.328 1
1 506 . 19 1 1 A 52 52 ASP HA H 52 4.587 4.542 0.045 1
1 507 . 19 1 1 A 52 52 ASP C C 52 179.837 178.967 0.870 1
1 508 . 19 1 1 A 52 52 ASP CA C 52 57.556 57.423 0.133 1
1 509 . 19 1 1 A 52 52 ASP CB C 52 41.057 41.053 0.004 1
1 510 . 19 1 1 A 52 52 ASP N N 52 120.755 119.564 1.191 1
1 511 . 19 1 1 A 53 53 LEU H H 53 7.855 8.203 -0.348 1
1 512 . 19 1 1 A 53 53 LEU HA H 53 3.933 3.994 -0.061 1
1 522 . 19 1 1 A 53 53 LEU C C 53 178.463 179.109 -0.646 1
1 523 . 19 1 1 A 53 53 LEU CA C 53 58.367 58.113 0.254 1
1 524 . 19 1 1 A 53 53 LEU CB C 53 42.646 41.067 1.579 1
1 528 . 19 1 1 A 53 53 LEU N N 53 122.035 120.829 1.206 1
1 529 . 19 1 1 A 54 54 GLU H H 54 8.804 9.003 -0.199 1
1 530 . 19 1 1 A 54 54 GLU HA H 54 3.745 4.029 -0.284 1
1 534 . 19 1 1 A 54 54 GLU C C 54 178.467 178.552 -0.085 1
1 535 . 19 1 1 A 54 54 GLU CA C 54 59.833 59.739 0.094 1
1 536 . 19 1 1 A 54 54 GLU CB C 54 29.238 29.333 -0.095 1
1 538 . 19 1 1 A 54 54 GLU N N 54 120.472 119.771 0.701 1
1 539 . 19 1 1 A 55 55 ALA H H 55 8.098 8.146 -0.048 1
1 540 . 19 1 1 A 55 55 ALA HA H 55 4.249 4.205 0.044 1
1 544 . 19 1 1 A 55 55 ALA C C 55 180.711 179.799 0.912 1
1 545 . 19 1 1 A 55 55 ALA CA C 55 55.077 54.938 0.139 1
1 546 . 19 1 1 A 55 55 ALA CB C 55 18.164 18.180 -0.016 1
1 547 . 19 1 1 A 55 55 ALA N N 55 119.302 122.378 -3.076 1
1 548 . 19 1 1 A 56 56 HIS H H 56 7.927 7.674 0.253 1
1 549 . 19 1 1 A 56 56 HIS HA H 56 4.281 4.268 0.013 1
1 553 . 19 1 1 A 56 56 HIS C C 56 176.342 177.111 -0.769 1
1 554 . 19 1 1 A 56 56 HIS CA C 56 59.362 59.260 0.102 1
1 555 . 19 1 1 A 56 56 HIS CB C 56 31.200 29.505 1.695 1
1 556 . 19 1 1 A 56 56 HIS N N 56 117.016 118.081 -1.065 1
1 557 . 19 1 1 A 57 57 PHE H H 57 7.811 8.136 -0.325 1
1 558 . 19 1 1 A 57 57 PHE HA H 57 4.554 4.413 0.141 1
1 565 . 19 1 1 A 57 57 PHE C C 57 177.301 177.901 -0.600 1
1 566 . 19 1 1 A 57 57 PHE CA C 57 59.480 61.740 -2.260 1
1 567 . 19 1 1 A 57 57 PHE CB C 57 40.432 38.837 1.595 1
1 571 . 19 1 1 A 57 57 PHE N N 57 111.423 115.514 -4.091 1
1 572 . 19 1 1 A 58 58 SER H H 58 8.126 8.410 -0.284 1
1 573 . 19 1 1 A 58 58 SER HA H 58 4.468 4.573 -0.105 1
1 575 . 19 1 1 A 58 58 SER C C 58 176.676 177.221 -0.545 1
1 576 . 19 1 1 A 58 58 SER CA C 58 62.159 61.202 0.957 1
1 577 . 19 1 1 A 58 58 SER N N 58 118.439 116.343 2.096 1
1 578 . 19 1 1 A 59 59 SER H H 59 8.422 7.690 0.732 1
1 579 . 19 1 1 A 59 59 SER HA H 59 4.291 4.282 0.009 1
1 581 . 19 1 1 A 59 59 SER C C 59 175.955 175.324 0.631 1
1 582 . 19 1 1 A 59 59 SER CA C 59 60.277 61.242 -0.965 1
1 583 . 19 1 1 A 59 59 SER CB C 59 62.444 62.954 -0.510 1
1 584 . 19 1 1 A 59 59 SER N N 59 116.618 116.664 -0.046 1
1 585 . 19 1 1 A 60 60 CYS H H 60 8.226 7.871 0.355 1
1 586 . 19 1 1 A 60 60 CYS HA H 60 4.067 4.467 -0.400 1
1 589 . 19 1 1 A 60 60 CYS C C 60 174.682 174.478 0.204 1
1 590 . 19 1 1 A 60 60 CYS CA C 60 60.683 59.606 1.077 1
1 591 . 19 1 1 A 60 60 CYS CB C 60 28.894 28.480 0.414 1
1 592 . 19 1 1 A 60 60 CYS N N 60 118.900 117.646 1.254 1
1 593 . 19 1 1 A 61 61 GLY H H 61 7.414 7.309 0.105 1
1 594 . 19 1 1 A 61 61 GLY HA2 H 61 3.887 4.129 -0.242 1
1 595 . 19 1 1 A 61 61 GLY HA3 H 61 4.489 4.139 0.350 1
1 596 . 19 1 1 A 61 61 GLY C C 61 171.619 171.570 0.049 1
1 597 . 19 1 1 A 61 61 GLY CA C 61 44.000 45.023 -1.023 1
1 598 . 19 1 1 A 61 61 GLY N N 61 106.320 108.881 -2.561 1
1 599 . 19 1 1 A 62 62 SER H H 62 8.182 8.489 -0.307 1
1 600 . 19 1 1 A 62 62 SER HA H 62 4.420 5.315 -0.895 1
1 603 . 19 1 1 A 62 62 SER C C 62 175.295 173.361 1.934 1
1 604 . 19 1 1 A 62 62 SER CA C 62 59.839 56.885 2.954 1
1 605 . 19 1 1 A 62 62 SER CB C 62 63.617 64.439 -0.822 1
1 606 . 19 1 1 A 62 62 SER N N 62 112.485 115.664 -3.179 1
1 607 . 19 1 1 A 63 63 ILE H H 63 8.857 9.121 -0.264 1
1 608 . 19 1 1 A 63 63 ILE HA H 63 4.007 4.344 -0.337 1
1 618 . 19 1 1 A 63 63 ILE C C 63 175.045 175.516 -0.471 1
1 619 . 19 1 1 A 63 63 ILE CA C 63 61.979 60.545 1.434 1
1 620 . 19 1 1 A 63 63 ILE CB C 63 41.048 38.704 2.344 1
1 624 . 19 1 1 A 63 63 ILE N N 63 127.966 127.450 0.516 1
1 625 . 19 1 1 A 64 64 ASN H H 64 8.897 9.011 -0.114 1
1 626 . 19 1 1 A 64 64 ASN HA H 64 4.667 4.962 -0.295 1
1 631 . 19 1 1 A 64 64 ASN C C 64 174.686 175.380 -0.694 1
1 632 . 19 1 1 A 64 64 ASN CA C 64 53.627 54.881 -1.254 1
1 633 . 19 1 1 A 64 64 ASN CB C 64 40.062 40.518 -0.456 1
1 634 . 19 1 1 A 64 64 ASN N N 64 124.997 125.173 -0.176 1
1 636 . 19 1 1 A 65 65 ARG H H 65 7.419 7.264 0.155 1
1 637 . 19 1 1 A 65 65 ARG HA H 65 5.155 4.897 0.258 1
1 645 . 19 1 1 A 65 65 ARG C C 65 173.788 174.290 -0.502 1
1 646 . 19 1 1 A 65 65 ARG CA C 65 55.703 54.867 0.836 1
1 647 . 19 1 1 A 65 65 ARG CB C 65 35.408 35.093 0.315 1
1 650 . 19 1 1 A 65 65 ARG N N 65 116.737 116.541 0.196 1
1 652 . 19 1 1 A 66 66 ILE H H 66 8.681 8.667 0.014 1
1 653 . 19 1 1 A 66 66 ILE HA H 66 4.574 5.277 -0.703 1
1 663 . 19 1 1 A 66 66 ILE C C 66 173.717 174.224 -0.507 1
1 664 . 19 1 1 A 66 66 ILE CA C 66 61.049 59.077 1.972 1
1 665 . 19 1 1 A 66 66 ILE CB C 66 42.988 42.266 0.722 1
1 669 . 19 1 1 A 66 66 ILE N N 66 123.359 117.165 6.194 1
1 670 . 19 1 1 A 67 67 THR H H 67 8.861 8.966 -0.105 1
1 671 . 19 1 1 A 67 67 THR HA H 67 5.378 5.135 0.243 1
1 676 . 19 1 1 A 67 67 THR C C 67 173.526 173.489 0.037 1
1 677 . 19 1 1 A 67 67 THR CA C 67 61.112 61.857 -0.745 1
1 678 . 19 1 1 A 67 67 THR CB C 67 70.857 70.444 0.413 1
1 680 . 19 1 1 A 67 67 THR N N 67 124.375 118.586 5.789 1
1 681 . 19 1 1 A 68 68 ILE H H 68 9.768 9.238 0.530 1
1 682 . 19 1 1 A 68 68 ILE HA H 68 4.333 4.803 -0.470 1
1 692 . 19 1 1 A 68 68 ILE C C 68 173.743 174.971 -1.228 1
1 693 . 19 1 1 A 68 68 ILE CA C 68 61.237 59.898 1.339 1
1 694 . 19 1 1 A 68 68 ILE CB C 68 40.908 40.785 0.123 1
1 698 . 19 1 1 A 68 68 ILE N N 68 127.340 128.678 -1.338 1
1 699 . 19 1 1 A 69 69 LEU H H 69 9.045 9.346 -0.301 1
1 700 . 19 1 1 A 69 69 LEU HA H 69 5.074 5.103 -0.029 1
1 710 . 19 1 1 A 69 69 LEU C C 69 175.502 175.222 0.280 1
1 711 . 19 1 1 A 69 69 LEU CA C 69 55.186 53.063 2.123 1
1 712 . 19 1 1 A 69 69 LEU CB C 69 42.702 44.440 -1.738 1
1 716 . 19 1 1 A 69 69 LEU N N 69 128.686 125.609 3.077 1
1 717 . 19 1 1 A 70 70 CYS H H 70 8.767 8.970 -0.203 1
1 718 . 19 1 1 A 70 70 CYS HA H 70 5.237 5.598 -0.361 1
1 720 . 19 1 1 A 70 70 CYS C C 70 173.558 173.329 0.229 1
1 721 . 19 1 1 A 70 70 CYS CA C 70 57.609 56.469 1.140 1
1 722 . 19 1 1 A 70 70 CYS CB C 70 29.830 29.926 -0.096 1
1 723 . 19 1 1 A 70 70 CYS N N 70 120.856 121.888 -1.032 1
1 724 . 19 1 1 A 71 71 ASP H H 71 9.109 8.926 0.183 1
1 725 . 19 1 1 A 71 71 ASP HA H 71 5.193 5.444 -0.251 1
1 728 . 19 1 1 A 71 71 ASP C C 71 175.440 175.612 -0.172 1
1 729 . 19 1 1 A 71 71 ASP CA C 71 53.705 52.015 1.690 1
1 730 . 19 1 1 A 71 71 ASP CB C 71 44.774 44.977 -0.203 1
1 731 . 19 1 1 A 71 71 ASP N N 71 124.936 123.437 1.499 1
1 732 . 19 1 1 A 72 72 LYS H H 72 8.262 8.914 -0.652 1
1 733 . 19 1 1 A 72 72 LYS HA H 72 4.553 4.831 -0.278 1
1 740 . 19 1 1 A 72 72 LYS C C 72 177.732 176.884 0.848 1
1 741 . 19 1 1 A 72 72 LYS CA C 72 55.608 55.742 -0.134 1
1 742 . 19 1 1 A 72 72 LYS CB C 72 32.469 32.802 -0.333 1
1 745 . 19 1 1 A 72 72 LYS N N 72 120.339 118.435 1.904 1
1 746 . 19 1 1 A 73 73 PHE H H 73 8.663 8.444 0.219 1
1 747 . 19 1 1 A 73 73 PHE HA H 73 4.357 4.402 -0.045 1
1 752 . 19 1 1 A 73 73 PHE C C 73 177.148 176.582 0.566 1
1 753 . 19 1 1 A 73 73 PHE CA C 73 60.214 59.719 0.495 1
1 754 . 19 1 1 A 73 73 PHE CB C 73 39.157 37.771 1.386 1
1 756 . 19 1 1 A 73 73 PHE N N 73 121.961 120.222 1.739 1
1 757 . 19 1 1 A 74 74 SER H H 74 8.780 6.884 1.896 1
1 758 . 19 1 1 A 74 74 SER HA H 74 4.353 4.422 -0.069 1
1 760 . 19 1 1 A 74 74 SER C C 74 174.810 174.640 0.170 1
1 761 . 19 1 1 A 74 74 SER CA C 74 58.965 58.497 0.468 1
1 762 . 19 1 1 A 74 74 SER CB C 74 63.650 63.675 -0.025 1
1 763 . 19 1 1 A 74 74 SER N N 74 114.021 115.404 -1.383 1
1 764 . 19 1 1 A 75 75 GLY H H 75 8.004 8.541 -0.537 1
1 765 . 19 1 1 A 75 75 GLY HA2 H 75 3.635 4.001 -0.366 1
1 766 . 19 1 1 A 75 75 GLY HA3 H 75 4.221 4.002 0.219 1
1 767 . 19 1 1 A 75 75 GLY C C 75 173.254 173.806 -0.552 1
1 768 . 19 1 1 A 75 75 GLY CA C 75 45.162 45.287 -0.125 1
1 769 . 19 1 1 A 75 75 GLY N N 75 108.714 109.392 -0.678 1
1 770 . 19 1 1 A 76 76 HIS H H 76 7.670 7.890 -0.220 1
1 771 . 19 1 1 A 76 76 HIS HA H 76 5.020 4.866 0.154 1
1 775 . 19 1 1 A 76 76 HIS CA C 76 52.522 54.300 -1.778 1
1 776 . 19 1 1 A 76 76 HIS CB C 76 29.410 31.392 -1.982 1
1 777 . 19 1 1 A 76 76 HIS N N 76 118.164 121.197 -3.033 1
1 778 . 19 1 1 A 77 77 PRO HA H 77 4.551 4.766 -0.215 1
1 784 . 19 1 1 A 77 77 PRO C C 77 176.458 176.024 0.434 1
1 785 . 19 1 1 A 77 77 PRO CA C 77 63.263 62.931 0.332 1
1 786 . 19 1 1 A 77 77 PRO CB C 77 32.077 31.786 0.291 1
1 789 . 19 1 1 A 78 78 LYS H H 78 8.846 9.063 -0.217 1
1 790 . 19 1 1 A 78 78 LYS HA H 78 4.772 4.943 -0.171 1
1 796 . 19 1 1 A 78 78 LYS CA C 78 55.964 54.966 0.998 1
1 797 . 19 1 1 A 78 78 LYS CB C 78 35.816 35.357 0.459 1
1 799 . 19 1 1 A 78 78 LYS N N 78 124.197 122.636 1.561 1
1 800 . 19 1 1 A 79 79 GLY H H 79 8.352 8.489 -0.137 1
1 801 . 19 1 1 A 79 79 GLY HA2 H 79 3.871 4.095 -0.224 1
1 802 . 19 1 1 A 79 79 GLY HA3 H 79 5.451 4.101 1.350 1
1 803 . 19 1 1 A 79 79 GLY C C 79 173.400 171.525 1.875 1
1 804 . 19 1 1 A 79 79 GLY CA C 79 45.189 45.703 -0.514 1
1 805 . 19 1 1 A 79 79 GLY N N 79 109.568 108.508 1.060 1
1 806 . 19 1 1 A 80 80 TYR H H 80 8.856 8.825 0.031 1
1 807 . 19 1 1 A 80 80 TYR HA H 80 4.940 5.354 -0.414 1
1 814 . 19 1 1 A 80 80 TYR C C 80 171.720 172.771 -1.051 1
1 815 . 19 1 1 A 80 80 TYR CA C 80 56.267 56.302 -0.035 1
1 816 . 19 1 1 A 80 80 TYR CB C 80 40.003 41.719 -1.716 1
1 818 . 19 1 1 A 80 80 TYR N N 80 120.052 115.785 4.267 1
1 819 . 19 1 1 A 81 81 ALA H H 81 9.215 9.027 0.188 1
1 820 . 19 1 1 A 81 81 ALA HA H 81 5.386 5.612 -0.226 1
1 824 . 19 1 1 A 81 81 ALA C C 81 175.357 175.364 -0.007 1
1 825 . 19 1 1 A 81 81 ALA CA C 81 50.089 50.483 -0.394 1
1 826 . 19 1 1 A 81 81 ALA CB C 81 24.030 23.482 0.548 1
1 827 . 19 1 1 A 81 81 ALA N N 81 120.138 122.167 -2.029 1
1 828 . 19 1 1 A 82 82 TYR H H 82 8.974 9.414 -0.440 1
1 829 . 19 1 1 A 82 82 TYR HA H 82 5.885 5.658 0.227 1
1 836 . 19 1 1 A 82 82 TYR C C 82 176.232 174.360 1.872 1
1 837 . 19 1 1 A 82 82 TYR CA C 82 55.626 56.853 -1.227 1
1 838 . 19 1 1 A 82 82 TYR CB C 82 41.536 40.897 0.639 1
1 839 . 19 1 1 A 82 82 TYR N N 82 114.621 118.443 -3.822 1
1 840 . 19 1 1 A 83 83 ILE H H 83 8.644 8.678 -0.034 1
1 841 . 19 1 1 A 83 83 ILE HA H 83 4.275 4.670 -0.395 1
1 851 . 19 1 1 A 83 83 ILE C C 83 173.516 174.594 -1.078 1
1 852 . 19 1 1 A 83 83 ILE CA C 83 60.345 59.689 0.656 1
1 853 . 19 1 1 A 83 83 ILE CB C 83 39.535 38.396 1.139 1
1 857 . 19 1 1 A 83 83 ILE N N 83 122.447 124.083 -1.636 1
1 858 . 19 1 1 A 84 84 GLU H H 84 8.612 9.144 -0.532 1
1 859 . 19 1 1 A 84 84 GLU HA H 84 4.801 4.868 -0.067 1
1 862 . 19 1 1 A 84 84 GLU C C 84 176.111 175.539 0.572 1
1 863 . 19 1 1 A 84 84 GLU CA C 84 54.496 54.791 -0.295 1
1 864 . 19 1 1 A 84 84 GLU CB C 84 31.499 31.531 -0.032 1
1 865 . 19 1 1 A 84 84 GLU N N 84 127.346 126.888 0.458 1
1 866 . 19 1 1 A 85 85 PHE H H 85 9.087 9.319 -0.232 1
1 867 . 19 1 1 A 85 85 PHE HA H 85 4.817 4.952 -0.135 1
1 875 . 19 1 1 A 85 85 PHE C C 85 174.422 176.767 -2.345 1
1 876 . 19 1 1 A 85 85 PHE CA C 85 59.072 57.823 1.249 1
1 877 . 19 1 1 A 85 85 PHE CB C 85 40.765 41.488 -0.723 1
1 878 . 19 1 1 A 85 85 PHE N N 85 128.049 123.573 4.476 1
1 879 . 19 1 1 A 86 86 ALA H H 86 8.192 9.311 -1.119 1
1 880 . 19 1 1 A 86 86 ALA HA H 86 4.239 4.265 -0.026 1
1 884 . 19 1 1 A 86 86 ALA C C 86 178.143 177.326 0.817 1
1 885 . 19 1 1 A 86 86 ALA CA C 86 54.524 53.851 0.673 1
1 886 . 19 1 1 A 86 86 ALA CB C 86 19.510 19.761 -0.251 1
1 887 . 19 1 1 A 86 86 ALA N N 86 120.669 122.794 -2.125 1
1 888 . 19 1 1 A 87 87 GLU H H 87 8.455 7.875 0.580 1
1 889 . 19 1 1 A 87 87 GLU HA H 87 4.765 4.686 0.079 1
1 893 . 19 1 1 A 87 87 GLU C C 87 176.472 176.275 0.197 1
1 894 . 19 1 1 A 87 87 GLU CA C 87 54.353 54.955 -0.602 1
1 895 . 19 1 1 A 87 87 GLU CB C 87 32.624 32.758 -0.134 1
1 897 . 19 1 1 A 87 87 GLU N N 87 114.204 117.703 -3.499 1
1 898 . 19 1 1 A 88 88 ARG H H 88 8.917 8.986 -0.069 1
1 899 . 19 1 1 A 88 88 ARG HA H 88 3.961 3.971 -0.010 1
1 905 . 19 1 1 A 88 88 ARG C C 88 178.900 178.388 0.512 1
1 906 . 19 1 1 A 88 88 ARG CA C 88 59.548 59.715 -0.167 1
1 907 . 19 1 1 A 88 88 ARG CB C 88 30.073 29.820 0.253 1
1 910 . 19 1 1 A 88 88 ARG N N 88 121.592 124.501 -2.909 1
1 911 . 19 1 1 A 89 89 ASN H H 89 8.845 7.705 1.140 1
1 912 . 19 1 1 A 89 89 ASN HA H 89 4.497 4.449 0.048 1
1 916 . 19 1 1 A 89 89 ASN C C 89 177.179 177.937 -0.758 1
1 917 . 19 1 1 A 89 89 ASN CA C 89 55.861 55.903 -0.042 1
1 918 . 19 1 1 A 89 89 ASN CB C 89 37.330 38.267 -0.937 1
1 919 . 19 1 1 A 89 89 ASN N N 89 116.555 118.446 -1.891 1
1 921 . 19 1 1 A 90 90 SER H H 90 7.513 8.050 -0.537 1
1 922 . 19 1 1 A 90 90 SER HA H 90 4.006 4.303 -0.297 1
1 925 . 19 1 1 A 90 90 SER C C 90 174.511 175.803 -1.292 1
1 926 . 19 1 1 A 90 90 SER CA C 90 61.395 62.344 -0.949 1
1 927 . 19 1 1 A 90 90 SER CB C 90 63.424 62.661 0.763 1
1 928 . 19 1 1 A 90 90 SER N N 90 116.007 117.974 -1.967 1
1 929 . 19 1 1 A 91 91 VAL H H 91 7.653 7.693 -0.040 1
1 930 . 19 1 1 A 91 91 VAL HA H 91 3.201 3.402 -0.201 1
1 938 . 19 1 1 A 91 91 VAL C C 91 176.991 177.302 -0.311 1
1 939 . 19 1 1 A 91 91 VAL CA C 91 66.851 64.983 1.868 1
1 940 . 19 1 1 A 91 91 VAL CB C 91 31.599 31.202 0.397 1
1 943 . 19 1 1 A 91 91 VAL N N 91 119.934 119.624 0.310 1
1 944 . 19 1 1 A 92 92 ASP H H 92 7.192 8.199 -1.007 1
1 945 . 19 1 1 A 92 92 ASP HA H 92 4.321 4.306 0.015 1
1 947 . 19 1 1 A 92 92 ASP C C 92 178.585 178.437 0.148 1
1 948 . 19 1 1 A 92 92 ASP CA C 92 57.401 57.020 0.381 1
1 949 . 19 1 1 A 92 92 ASP CB C 92 40.078 40.350 -0.272 1
1 950 . 19 1 1 A 92 92 ASP N N 92 117.084 122.039 -4.955 1
1 951 . 19 1 1 A 93 93 ALA H H 93 6.946 7.785 -0.839 1
1 952 . 19 1 1 A 93 93 ALA HA H 93 4.186 4.189 -0.003 1
1 956 . 19 1 1 A 93 93 ALA C C 93 179.272 179.909 -0.637 1
1 957 . 19 1 1 A 93 93 ALA CA C 93 54.445 54.663 -0.218 1
1 958 . 19 1 1 A 93 93 ALA CB C 93 18.164 18.167 -0.003 1
1 959 . 19 1 1 A 93 93 ALA N N 93 121.045 122.481 -1.436 1
1 960 . 19 1 1 A 94 94 ALA H H 94 8.033 7.762 0.271 1
1 961 . 19 1 1 A 94 94 ALA HA H 94 4.545 4.201 0.344 1
1 965 . 19 1 1 A 94 94 ALA C C 94 180.529 179.535 0.994 1
1 966 . 19 1 1 A 94 94 ALA CA C 94 55.518 55.171 0.347 1
1 967 . 19 1 1 A 94 94 ALA CB C 94 19.455 18.533 0.922 1
1 968 . 19 1 1 A 94 94 ALA N N 94 122.191 120.798 1.393 1
1 969 . 19 1 1 A 95 95 VAL H H 95 8.565 8.301 0.264 1
1 970 . 19 1 1 A 95 95 VAL HA H 95 3.741 3.906 -0.165 1
1 978 . 19 1 1 A 95 95 VAL C C 95 178.767 178.024 0.743 1
1 979 . 19 1 1 A 95 95 VAL CA C 95 65.820 64.789 1.031 1
1 980 . 19 1 1 A 95 95 VAL CB C 95 31.501 31.441 0.060 1
1 983 . 19 1 1 A 95 95 VAL N N 95 117.405 116.472 0.933 1
1 984 . 19 1 1 A 96 96 ALA H H 96 7.354 8.160 -0.806 1
1 985 . 19 1 1 A 96 96 ALA HA H 96 4.403 4.191 0.212 1
1 989 . 19 1 1 A 96 96 ALA C C 96 178.242 178.478 -0.236 1
1 990 . 19 1 1 A 96 96 ALA CA C 96 53.916 54.274 -0.358 1
1 991 . 19 1 1 A 96 96 ALA CB C 96 17.841 18.281 -0.440 1
1 992 . 19 1 1 A 96 96 ALA N N 96 122.769 123.811 -1.042 1
1 993 . 19 1 1 A 97 97 MET H H 97 7.980 8.032 -0.052 1
1 994 . 19 1 1 A 97 97 MET HA H 97 4.471 4.771 -0.300 1
1 1002 . 19 1 1 A 97 97 MET C C 97 175.959 176.603 -0.644 1
1 1003 . 19 1 1 A 97 97 MET CA C 97 55.150 54.814 0.336 1
1 1004 . 19 1 1 A 97 97 MET CB C 97 31.663 32.468 -0.805 1
1 1007 . 19 1 1 A 97 97 MET N N 97 115.573 116.375 -0.802 1
1 1008 . 19 1 1 A 98 98 ASP H H 98 7.852 8.534 -0.682 1
1 1009 . 19 1 1 A 98 98 ASP HA H 98 4.422 4.433 -0.011 1
1 1012 . 19 1 1 A 98 98 ASP C C 98 175.976 176.225 -0.249 1
1 1013 . 19 1 1 A 98 98 ASP CA C 98 57.476 57.163 0.313 1
1 1014 . 19 1 1 A 98 98 ASP CB C 98 42.008 40.623 1.385 1
1 1015 . 19 1 1 A 98 98 ASP N N 98 121.576 120.109 1.467 1
1 1016 . 19 1 1 A 99 99 GLU H H 99 8.643 7.914 0.729 1
1 1017 . 19 1 1 A 99 99 GLU HA H 99 4.154 4.930 -0.776 1
1 1022 . 19 1 1 A 99 99 GLU C C 99 176.369 175.017 1.352 1
1 1023 . 19 1 1 A 99 99 GLU CA C 99 58.403 55.018 3.385 1
1 1024 . 19 1 1 A 99 99 GLU CB C 99 26.214 31.912 -5.698 1
1 1026 . 19 1 1 A 99 99 GLU N N 99 119.455 118.630 0.825 1
1 1027 . 19 1 1 A 100 100 THR H H 100 7.416 8.789 -1.373 1
1 1028 . 19 1 1 A 100 100 THR HA H 100 4.498 4.750 -0.252 1
1 1033 . 19 1 1 A 100 100 THR C C 100 172.876 171.770 1.106 1
1 1034 . 19 1 1 A 100 100 THR CA C 100 61.065 60.314 0.751 1
1 1035 . 19 1 1 A 100 100 THR CB C 100 72.140 69.729 2.411 1
1 1037 . 19 1 1 A 100 100 THR N N 100 107.670 119.872 -12.202 1
1 1038 . 19 1 1 A 101 101 VAL H H 101 8.252 8.858 -0.606 1
1 1039 . 19 1 1 A 101 101 VAL HA H 101 4.638 5.278 -0.640 1
1 1047 . 19 1 1 A 101 101 VAL C C 101 176.138 173.751 2.387 1
1 1048 . 19 1 1 A 101 101 VAL CA C 101 62.299 59.375 2.924 1
1 1049 . 19 1 1 A 101 101 VAL CB C 101 32.215 34.388 -2.173 1
1 1052 . 19 1 1 A 101 101 VAL N N 101 118.227 121.934 -3.707 1
1 1053 . 19 1 1 A 102 102 PHE H H 102 9.300 9.682 -0.382 1
1 1054 . 19 1 1 A 102 102 PHE HA H 102 4.671 4.885 -0.214 1
1 1061 . 19 1 1 A 102 102 PHE C C 102 174.216 174.872 -0.656 1
1 1062 . 19 1 1 A 102 102 PHE CA C 102 56.205 57.197 -0.992 1
1 1063 . 19 1 1 A 102 102 PHE CB C 102 41.707 42.068 -0.361 1
1 1064 . 19 1 1 A 102 102 PHE N N 102 128.863 129.463 -0.600 1
1 1065 . 19 1 1 A 103 103 ARG H H 103 9.167 8.802 0.365 1
1 1066 . 19 1 1 A 103 103 ARG HA H 103 3.389 3.728 -0.339 1
1 1075 . 19 1 1 A 103 103 ARG C C 103 176.014 175.234 0.780 1
1 1076 . 19 1 1 A 103 103 ARG CA C 103 57.215 56.792 0.423 1
1 1077 . 19 1 1 A 103 103 ARG CB C 103 27.382 28.784 -1.402 1
1 1080 . 19 1 1 A 103 103 ARG N N 103 128.268 126.612 1.656 1
1 1082 . 19 1 1 A 104 104 GLY H H 104 8.005 8.508 -0.503 1
1 1083 . 19 1 1 A 104 104 GLY HA2 H 104 4.006 3.813 0.193 1
1 1084 . 19 1 1 A 104 104 GLY HA3 H 104 3.455 3.819 -0.364 1
1 1085 . 19 1 1 A 104 104 GLY C C 104 173.766 173.628 0.138 1
1 1086 . 19 1 1 A 104 104 GLY CA C 104 45.598 45.405 0.193 1
1 1087 . 19 1 1 A 104 104 GLY N N 104 101.324 104.899 -3.575 1
1 1088 . 19 1 1 A 105 105 ARG H H 105 7.681 7.762 -0.081 1
1 1089 . 19 1 1 A 105 105 ARG HA H 105 4.735 4.964 -0.229 1
1 1097 . 19 1 1 A 105 105 ARG C C 105 174.543 174.970 -0.427 1
1 1098 . 19 1 1 A 105 105 ARG CA C 105 54.071 54.147 -0.076 1
1 1099 . 19 1 1 A 105 105 ARG CB C 105 33.159 33.588 -0.429 1
1 1102 . 19 1 1 A 105 105 ARG N N 105 119.837 116.193 3.644 1
1 1104 . 19 1 1 A 106 106 THR H H 106 8.604 8.663 -0.059 1
1 1105 . 19 1 1 A 106 106 THR HA H 106 4.593 5.000 -0.407 1
1 1110 . 19 1 1 A 106 106 THR C C 106 175.643 174.507 1.136 1
1 1111 . 19 1 1 A 106 106 THR CA C 106 62.821 63.211 -0.390 1
1 1112 . 19 1 1 A 106 106 THR CB C 106 68.784 69.070 -0.286 1
1 1114 . 19 1 1 A 106 106 THR N N 106 118.251 117.329 0.922 1
1 1115 . 19 1 1 A 107 107 ILE H H 107 8.756 8.714 0.042 1
1 1116 . 19 1 1 A 107 107 ILE HA H 107 4.884 5.049 -0.165 1
1 1126 . 19 1 1 A 107 107 ILE C C 107 174.877 174.111 0.766 1
1 1127 . 19 1 1 A 107 107 ILE CA C 107 60.834 59.074 1.760 1
1 1128 . 19 1 1 A 107 107 ILE CB C 107 40.644 40.451 0.193 1
1 1132 . 19 1 1 A 107 107 ILE N N 107 123.422 123.640 -0.218 1
1 1133 . 19 1 1 A 108 108 LYS H H 108 7.412 8.332 -0.920 1
1 1134 . 19 1 1 A 108 108 LYS HA H 108 5.524 6.029 -0.505 1
1 1141 . 19 1 1 A 108 108 LYS C C 108 175.839 174.782 1.057 1
1 1142 . 19 1 1 A 108 108 LYS CA C 108 52.172 54.834 -2.662 1
1 1143 . 19 1 1 A 108 108 LYS CB C 108 33.947 36.309 -2.362 1
1 1147 . 19 1 1 A 108 108 LYS N N 108 121.402 122.011 -0.609 1
1 1148 . 19 1 1 A 109 109 VAL H H 109 9.467 8.841 0.626 1
1 1149 . 19 1 1 A 109 109 VAL HA H 109 5.410 5.670 -0.260 1
1 1157 . 19 1 1 A 109 109 VAL C C 109 174.514 175.141 -0.627 1
1 1158 . 19 1 1 A 109 109 VAL CA C 109 61.258 61.579 -0.321 1
1 1159 . 19 1 1 A 109 109 VAL CB C 109 34.289 34.392 -0.103 1
1 1162 . 19 1 1 A 109 109 VAL N N 109 125.530 126.257 -0.727 1
1 1163 . 19 1 1 A 110 110 LEU H H 110 9.081 9.005 0.076 1
1 1164 . 19 1 1 A 110 110 LEU HA H 110 5.109 5.066 0.043 1
1 1173 . 19 1 1 A 110 110 LEU CA C 110 51.660 50.907 0.753 1
1 1174 . 19 1 1 A 110 110 LEU CB C 110 46.037 44.566 1.471 1
1 1178 . 19 1 1 A 110 110 LEU N N 110 125.323 124.006 1.317 1
1 1179 . 19 1 1 A 111 111 PRO HA H 111 4.539 4.696 -0.157 1
1 1186 . 19 1 1 A 111 111 PRO C C 111 176.222 176.558 -0.336 1
1 1187 . 19 1 1 A 111 111 PRO CA C 111 63.390 63.361 0.029 1
1 1188 . 19 1 1 A 111 111 PRO CB C 111 31.697 32.066 -0.369 1
1 1191 . 19 1 1 A 112 112 LYS H H 112 8.121 8.604 -0.483 1
1 1192 . 19 1 1 A 112 112 LYS HA H 112 4.113 4.678 -0.565 1
1 1199 . 19 1 1 A 112 112 LYS C C 112 175.830 175.371 0.459 1
1 1200 . 19 1 1 A 112 112 LYS CA C 112 58.405 56.366 2.039 1
1 1201 . 19 1 1 A 112 112 LYS CB C 112 33.746 32.498 1.248 1
1 1204 . 19 1 1 A 112 112 LYS N N 112 124.317 122.931 1.386 1
1 1205 . 19 1 1 A 113 113 ARG H H 113 8.228 8.133 0.095 1
1 1206 . 19 1 1 A 113 113 ARG HA H 113 4.451 4.987 -0.536 1
1 1211 . 19 1 1 A 113 113 ARG C C 113 175.758 174.703 1.055 1
1 1212 . 19 1 1 A 113 113 ARG CA C 113 55.468 55.042 0.426 1
1 1213 . 19 1 1 A 113 113 ARG CB C 113 31.550 32.265 -0.715 1
1 1215 . 19 1 1 A 113 113 ARG N N 113 121.228 123.267 -2.039 1
1 1216 . 19 1 1 A 114 114 THR H H 114 8.138 9.066 -0.928 1
1 1217 . 19 1 1 A 114 114 THR HA H 114 4.264 4.476 -0.212 1
1 1222 . 19 1 1 A 114 114 THR C C 114 174.043 173.822 0.221 1
1 1223 . 19 1 1 A 114 114 THR CA C 114 62.229 62.971 -0.742 1
1 1224 . 19 1 1 A 114 114 THR CB C 114 69.682 67.673 2.009 1
1 1226 . 19 1 1 A 114 114 THR N N 114 116.384 112.505 3.879 1
1 1227 . 19 1 1 A 115 115 ASN H H 115 8.406 8.803 -0.397 1
1 1228 . 19 1 1 A 115 115 ASN HA H 115 4.682 4.318 0.364 1
1 1233 . 19 1 1 A 115 115 ASN C C 115 174.513 173.834 0.679 1
1 1234 . 19 1 1 A 115 115 ASN CA C 115 53.242 54.906 -1.664 1
1 1235 . 19 1 1 A 115 115 ASN CB C 115 38.888 36.900 1.988 1
1 1236 . 19 1 1 A 115 115 ASN N N 115 120.871 118.314 2.557 1
1 1238 . 19 1 1 A 116 116 MET H H 116 8.138 7.935 0.203 1
1 1239 . 19 1 1 A 116 116 MET CA C 116 53.400 53.091 0.309 1
1 1240 . 19 1 1 A 116 116 MET CB C 116 32.829 33.276 -0.447 1
1 1241 . 19 1 1 A 116 116 MET N N 116 121.611 119.519 2.092 1
1 1242 . 19 1 1 A 117 117 PRO HA H 117 4.428 4.487 -0.059 1
1 1245 . 19 1 1 A 117 117 PRO C C 117 175.935 176.018 -0.083 1
1 1246 . 19 1 1 A 117 117 PRO CA C 117 63.489 63.159 0.330 1
1 1247 . 19 1 1 A 117 117 PRO CB C 117 32.105 32.629 -0.524 1
1 1248 . 19 1 1 A 118 118 GLY H H 118 8.411 8.112 0.299 1
1 1249 . 19 1 1 A 118 118 GLY HA2 H 118 3.927 4.237 -0.310 1
1 1250 . 19 1 1 A 118 118 GLY HA3 H 118 4.389 4.237 0.152 1
1 1251 . 19 1 1 A 118 118 GLY C C 118 174.117 172.996 1.121 1
1 1252 . 19 1 1 A 118 118 GLY CA C 118 45.470 45.587 -0.117 1
1 1253 . 19 1 1 A 118 118 GLY N N 118 109.241 107.210 2.031 1
1 1254 . 19 1 1 A 119 119 ILE H H 119 7.825 8.459 -0.634 1
1 1255 . 19 1 1 A 119 119 ILE HA H 119 4.234 4.054 0.180 1
1 1265 . 19 1 1 A 119 119 ILE C C 119 176.261 175.198 1.063 1
1 1266 . 19 1 1 A 119 119 ILE CA C 119 61.029 61.417 -0.388 1
1 1267 . 19 1 1 A 119 119 ILE CB C 119 38.878 38.479 0.399 1
1 1270 . 19 1 1 A 119 119 ILE N N 119 119.504 118.173 1.331 1
1 1271 . 19 1 1 A 120 120 SER H H 120 8.397 8.627 -0.230 1
1 1272 . 19 1 1 A 120 120 SER HA H 120 4.534 4.880 -0.346 1
1 1274 . 19 1 1 A 120 120 SER C C 120 174.692 172.752 1.940 1
1 1275 . 19 1 1 A 120 120 SER CA C 120 58.150 57.726 0.424 1
1 1276 . 19 1 1 A 120 120 SER CB C 120 63.997 66.422 -2.425 1
1 1277 . 19 1 1 A 120 120 SER N N 120 119.359 121.799 -2.440 1
1 1278 . 19 1 1 A 121 121 SER H H 121 8.371 8.600 -0.229 1
1 1279 . 19 1 1 A 121 121 SER HA H 121 4.360 4.825 -0.465 1
1 1280 . 19 1 1 A 121 121 SER C C 121 174.809 173.761 1.048 1
1 1281 . 19 1 1 A 121 121 SER CA C 121 58.656 57.624 1.032 1
1 1282 . 19 1 1 A 121 121 SER CB C 121 63.795 62.489 1.306 1
1 1283 . 19 1 1 A 121 121 SER N N 121 118.036 121.517 -3.481 1
1 1284 . 19 1 1 A 122 122 THR H H 122 8.100 8.125 -0.025 1
1 1285 . 19 1 1 A 122 122 THR C C 122 174.254 173.716 0.538 1
1 1286 . 19 1 1 A 122 122 THR CA C 122 61.829 61.211 0.618 1
1 1287 . 19 1 1 A 122 122 THR CB C 122 69.537 69.809 -0.272 1
1 1288 . 19 1 1 A 122 122 THR N N 122 114.163 115.859 -1.696 1
1 1289 . 19 1 1 A 123 123 ASP H H 123 8.197 8.645 -0.448 1
1 1290 . 19 1 1 A 123 123 ASP HA H 123 4.641 5.257 -0.616 1
1 1292 . 19 1 1 A 123 123 ASP C C 123 174.975 174.631 0.344 1
1 1293 . 19 1 1 A 123 123 ASP CA C 123 54.542 53.321 1.221 1
1 1294 . 19 1 1 A 123 123 ASP CB C 123 41.144 42.891 -1.747 1
1 1295 . 19 1 1 A 123 123 ASP N N 123 122.772 121.612 1.160 1
1 8 . 20 1 1 A 2 2 ILE H H 2 8.420 8.312 0.108 1
1 9 . 20 1 1 A 2 2 ILE HA H 2 4.219 4.736 -0.517 1
1 11 . 20 1 1 A 2 2 ILE C C 2 175.424 174.903 0.521 1
1 12 . 20 1 1 A 2 2 ILE CA C 2 61.022 60.637 0.385 1
1 13 . 20 1 1 A 2 2 ILE CB C 2 38.918 38.492 0.426 1
1 14 . 20 1 1 A 2 2 ILE N N 2 120.314 119.319 0.995 1
1 15 . 20 1 1 A 3 3 ALA H H 3 8.374 8.712 -0.338 1
1 16 . 20 1 1 A 3 3 ALA CA C 3 50.509 49.961 0.548 1
1 17 . 20 1 1 A 3 3 ALA CB C 3 18.608 22.272 -3.664 1
1 18 . 20 1 1 A 3 3 ALA N N 3 129.874 128.442 1.432 1
1 19 . 20 1 1 A 4 4 PRO HA H 4 4.446 4.585 -0.139 1
1 22 . 20 1 1 A 4 4 PRO C C 4 176.949 176.603 0.346 1
1 23 . 20 1 1 A 4 4 PRO CA C 4 63.456 62.622 0.834 1
1 24 . 20 1 1 A 4 4 PRO CB C 4 32.203 32.276 -0.073 1
1 25 . 20 1 1 A 5 5 CYS H H 5 8.347 8.348 -0.001 1
1 26 . 20 1 1 A 5 5 CYS HA H 5 4.492 4.578 -0.086 1
1 28 . 20 1 1 A 5 5 CYS C C 5 174.805 174.374 0.431 1
1 29 . 20 1 1 A 5 5 CYS CA C 5 58.495 59.646 -1.151 1
1 30 . 20 1 1 A 5 5 CYS CB C 5 27.957 28.566 -0.609 1
1 31 . 20 1 1 A 5 5 CYS N N 5 118.477 120.528 -2.051 1
1 32 . 20 1 1 A 6 6 MET H H 6 8.421 8.746 -0.325 1
1 33 . 20 1 1 A 6 6 MET HA H 6 4.534 4.749 -0.215 1
1 35 . 20 1 1 A 6 6 MET C C 6 176.132 176.359 -0.227 1
1 36 . 20 1 1 A 6 6 MET CA C 6 55.629 54.729 0.900 1
1 37 . 20 1 1 A 6 6 MET CB C 6 33.048 32.952 0.096 1
1 38 . 20 1 1 A 6 6 MET N N 6 122.952 120.477 2.475 1
1 39 . 20 1 1 A 7 7 GLN H H 7 8.313 8.302 0.011 1
1 40 . 20 1 1 A 7 7 GLN HA H 7 4.435 4.704 -0.269 1
1 42 . 20 1 1 A 7 7 GLN C C 7 176.128 175.113 1.015 1
1 43 . 20 1 1 A 7 7 GLN CA C 7 56.109 55.273 0.836 1
1 44 . 20 1 1 A 7 7 GLN CB C 7 29.591 30.146 -0.555 1
1 45 . 20 1 1 A 7 7 GLN N N 7 121.379 117.796 3.583 1
1 46 . 20 1 1 A 8 8 THR H H 8 8.195 6.953 1.242 1
1 47 . 20 1 1 A 8 8 THR HA H 8 4.406 4.869 -0.463 1
1 49 . 20 1 1 A 8 8 THR C C 8 174.739 172.874 1.865 1
1 50 . 20 1 1 A 8 8 THR CA C 8 61.856 60.040 1.816 1
1 51 . 20 1 1 A 8 8 THR CB C 8 69.854 71.289 -1.435 1
1 52 . 20 1 1 A 8 8 THR N N 8 115.096 114.874 0.222 1
1 53 . 20 1 1 A 9 9 THR H H 9 8.081 8.679 -0.598 1
1 54 . 20 1 1 A 9 9 THR HA H 9 4.335 4.767 -0.432 1
1 56 . 20 1 1 A 9 9 THR C C 9 174.407 174.666 -0.259 1
1 57 . 20 1 1 A 9 9 THR CA C 9 61.896 60.039 1.857 1
1 58 . 20 1 1 A 9 9 THR CB C 9 69.811 71.939 -2.128 1
1 59 . 20 1 1 A 9 9 THR N N 9 115.837 118.532 -2.695 1
1 60 . 20 1 1 A 10 10 HIS H H 10 8.477 8.841 -0.364 1
1 61 . 20 1 1 A 10 10 HIS HA H 10 4.788 4.491 0.297 1
1 64 . 20 1 1 A 10 10 HIS C C 10 174.571 174.435 0.136 1
1 65 . 20 1 1 A 10 10 HIS CA C 10 55.477 57.708 -2.231 1
1 66 . 20 1 1 A 10 10 HIS CB C 10 29.291 29.436 -0.145 1
1 67 . 20 1 1 A 10 10 HIS N N 10 120.606 120.746 -0.140 1
1 68 . 20 1 1 A 11 11 SER H H 11 8.306 8.700 -0.394 1
1 69 . 20 1 1 A 11 11 SER HA H 11 4.448 4.532 -0.084 1
1 71 . 20 1 1 A 11 11 SER C C 11 174.512 174.265 0.247 1
1 72 . 20 1 1 A 11 11 SER CA C 11 58.557 59.183 -0.626 1
1 73 . 20 1 1 A 11 11 SER CB C 11 63.943 64.140 -0.197 1
1 74 . 20 1 1 A 11 11 SER N N 11 117.043 114.025 3.018 1
1 75 . 20 1 1 A 12 12 LYS H H 12 8.402 8.640 -0.238 1
1 76 . 20 1 1 A 12 12 LYS HA H 12 4.359 4.676 -0.317 1
1 79 . 20 1 1 A 12 12 LYS C C 12 176.592 176.682 -0.090 1
1 80 . 20 1 1 A 12 12 LYS CA C 12 56.634 56.254 0.380 1
1 81 . 20 1 1 A 12 12 LYS CB C 12 33.127 34.176 -1.049 1
1 82 . 20 1 1 A 12 12 LYS N N 12 123.023 119.552 3.471 1
1 83 . 20 1 1 A 13 13 MET H H 13 8.343 7.783 0.560 1
1 84 . 20 1 1 A 13 13 MET HA H 13 4.530 4.534 -0.004 1
1 88 . 20 1 1 A 13 13 MET C C 13 176.373 175.795 0.578 1
1 89 . 20 1 1 A 13 13 MET CA C 13 55.680 54.698 0.982 1
1 90 . 20 1 1 A 13 13 MET CB C 13 32.925 32.301 0.624 1
1 91 . 20 1 1 A 13 13 MET N N 13 121.294 121.266 0.028 1
1 92 . 20 1 1 A 14 14 THR H H 14 8.068 8.453 -0.385 1
1 93 . 20 1 1 A 14 14 THR HA H 14 4.333 4.567 -0.234 1
1 97 . 20 1 1 A 14 14 THR C C 14 174.246 174.127 0.119 1
1 98 . 20 1 1 A 14 14 THR CA C 14 61.770 63.043 -1.273 1
1 99 . 20 1 1 A 14 14 THR CB C 14 69.894 71.466 -1.572 1
1 100 . 20 1 1 A 14 14 THR N N 14 115.254 117.979 -2.725 1
1 101 . 20 1 1 A 15 15 ALA H H 15 8.289 7.570 0.719 1
1 102 . 20 1 1 A 15 15 ALA HA H 15 4.344 5.043 -0.699 1
1 106 . 20 1 1 A 15 15 ALA C C 15 178.080 175.466 2.614 1
1 107 . 20 1 1 A 15 15 ALA CA C 15 52.779 51.300 1.479 1
1 108 . 20 1 1 A 15 15 ALA CB C 15 19.286 22.141 -2.855 1
1 109 . 20 1 1 A 15 15 ALA N N 15 126.372 118.894 7.478 1
1 110 . 20 1 1 A 16 16 GLY H H 16 8.291 8.138 0.153 1
1 111 . 20 1 1 A 16 16 GLY HA2 H 16 3.913 3.813 0.100 1
1 112 . 20 1 1 A 16 16 GLY C C 16 173.788 173.445 0.343 1
1 113 . 20 1 1 A 16 16 GLY CA C 16 45.298 45.072 0.226 1
1 114 . 20 1 1 A 16 16 GLY N N 16 108.095 105.228 2.867 1
1 115 . 20 1 1 A 17 17 ALA H H 17 8.000 8.321 -0.321 1
1 116 . 20 1 1 A 17 17 ALA HA H 17 4.292 4.536 -0.244 1
1 120 . 20 1 1 A 17 17 ALA C C 17 177.366 177.348 0.018 1
1 121 . 20 1 1 A 17 17 ALA CA C 17 52.518 51.183 1.335 1
1 122 . 20 1 1 A 17 17 ALA CB C 17 19.577 19.759 -0.182 1
1 123 . 20 1 1 A 17 17 ALA N N 17 123.370 127.900 -4.530 1
1 124 . 20 1 1 A 18 18 TYR H H 18 8.135 7.984 0.151 1
1 125 . 20 1 1 A 18 18 TYR HA H 18 4.640 4.798 -0.158 1
1 129 . 20 1 1 A 18 18 TYR C C 18 176.031 176.442 -0.411 1
1 130 . 20 1 1 A 18 18 TYR CA C 18 57.973 57.184 0.789 1
1 131 . 20 1 1 A 18 18 TYR CB C 18 38.661 40.408 -1.747 1
1 132 . 20 1 1 A 18 18 TYR N N 18 119.212 114.440 4.772 1
1 133 . 20 1 1 A 19 19 THR H H 19 7.912 7.426 0.486 1
1 134 . 20 1 1 A 19 19 THR HA H 19 4.267 4.687 -0.420 1
1 139 . 20 1 1 A 19 19 THR C C 19 173.995 173.591 0.404 1
1 140 . 20 1 1 A 19 19 THR CA C 19 61.848 60.729 1.119 1
1 141 . 20 1 1 A 19 19 THR CB C 19 69.756 69.090 0.666 1
1 142 . 20 1 1 A 19 19 THR N N 19 115.764 113.742 2.022 1
1 143 . 20 1 1 A 20 20 GLU H H 20 8.077 7.897 0.180 1
1 144 . 20 1 1 A 20 20 GLU HA H 20 4.301 4.555 -0.254 1
1 148 . 20 1 1 A 20 20 GLU C C 20 176.128 176.791 -0.663 1
1 149 . 20 1 1 A 20 20 GLU CA C 20 56.312 55.536 0.776 1
1 150 . 20 1 1 A 20 20 GLU CB C 20 30.423 29.727 0.696 1
1 152 . 20 1 1 A 20 20 GLU N N 20 122.553 121.845 0.708 1
1 153 . 20 1 1 A 21 21 GLY H H 21 7.966 8.789 -0.823 1
1 154 . 20 1 1 A 21 21 GLY HA2 H 21 3.903 3.939 -0.036 1
1 155 . 20 1 1 A 21 21 GLY CA C 21 44.257 45.535 -1.278 1
1 156 . 20 1 1 A 21 21 GLY N N 21 109.544 115.189 -5.645 1
1 157 . 20 1 1 A 22 22 PRO HA H 22 4.232 4.351 -0.119 1
1 164 . 20 1 1 A 22 22 PRO CA C 22 61.109 65.471 -4.362 1
1 165 . 20 1 1 A 22 22 PRO CB C 22 30.711 31.783 -1.072 1
1 168 . 20 1 1 A 23 23 PRO HA H 23 4.363 4.420 -0.057 1
1 174 . 20 1 1 A 23 23 PRO C C 23 176.567 177.308 -0.741 1
1 175 . 20 1 1 A 23 23 PRO CA C 23 62.733 63.373 -0.640 1
1 176 . 20 1 1 A 23 23 PRO CB C 23 32.048 31.790 0.258 1
1 179 . 20 1 1 A 24 24 GLN H H 24 8.286 8.362 -0.076 1
1 180 . 20 1 1 A 24 24 GLN HA H 24 4.479 4.375 0.104 1
1 186 . 20 1 1 A 24 24 GLN CA C 24 53.763 54.769 -1.006 1
1 187 . 20 1 1 A 24 24 GLN CB C 24 28.800 28.337 0.463 1
1 189 . 20 1 1 A 24 24 GLN N N 24 121.215 121.687 -0.472 1
1 191 . 20 1 1 A 25 25 PRO HA H 25 4.389 4.711 -0.322 1
1 198 . 20 1 1 A 25 25 PRO C C 25 176.707 176.936 -0.229 1
1 199 . 20 1 1 A 25 25 PRO CA C 25 62.867 62.590 0.277 1
1 200 . 20 1 1 A 25 25 PRO CB C 25 32.174 31.609 0.565 1
1 203 . 20 1 1 A 26 26 LEU H H 26 8.244 8.184 0.060 1
1 204 . 20 1 1 A 26 26 LEU HA H 26 4.405 4.451 -0.046 1
1 214 . 20 1 1 A 26 26 LEU C C 26 177.517 176.373 1.144 1
1 215 . 20 1 1 A 26 26 LEU CA C 26 54.643 53.718 0.925 1
1 216 . 20 1 1 A 26 26 LEU CB C 26 43.618 43.751 -0.133 1
1 220 . 20 1 1 A 26 26 LEU N N 26 122.745 119.855 2.890 1
1 221 . 20 1 1 A 27 27 SER H H 27 8.758 8.535 0.223 1
1 222 . 20 1 1 A 27 27 SER HA H 27 4.474 4.448 0.026 1
1 225 . 20 1 1 A 27 27 SER C C 27 174.789 175.387 -0.598 1
1 226 . 20 1 1 A 27 27 SER CA C 27 57.461 59.878 -2.417 1
1 227 . 20 1 1 A 27 27 SER CB C 27 65.280 63.710 1.570 1
1 228 . 20 1 1 A 27 27 SER N N 27 117.967 116.664 1.303 1
1 229 . 20 1 1 A 28 28 ALA H H 28 8.841 9.001 -0.160 1
1 230 . 20 1 1 A 28 28 ALA HA H 28 4.037 3.967 0.070 1
1 234 . 20 1 1 A 28 28 ALA CA C 28 55.346 55.483 -0.137 1
1 235 . 20 1 1 A 28 28 ALA CB C 28 18.347 18.085 0.262 1
1 236 . 20 1 1 A 28 28 ALA N N 28 124.144 127.381 -3.237 1
1 237 . 20 1 1 A 29 29 GLU H H 29 8.565 8.085 0.480 1
1 238 . 20 1 1 A 29 29 GLU HA H 29 4.026 4.023 0.003 1
1 242 . 20 1 1 A 29 29 GLU C C 29 178.877 179.442 -0.565 1
1 243 . 20 1 1 A 29 29 GLU CA C 29 59.430 59.508 -0.078 1
1 244 . 20 1 1 A 29 29 GLU CB C 29 29.244 29.010 0.234 1
1 246 . 20 1 1 A 29 29 GLU N N 29 117.527 117.763 -0.236 1
1 247 . 20 1 1 A 30 30 GLU H H 30 7.823 8.336 -0.513 1
1 248 . 20 1 1 A 30 30 GLU HA H 30 4.054 4.051 0.003 1
1 253 . 20 1 1 A 30 30 GLU C C 30 179.191 179.246 -0.055 1
1 254 . 20 1 1 A 30 30 GLU CA C 30 59.037 59.123 -0.086 1
1 255 . 20 1 1 A 30 30 GLU CB C 30 30.102 29.151 0.951 1
1 257 . 20 1 1 A 30 30 GLU N N 30 120.773 121.307 -0.534 1
1 258 . 20 1 1 A 31 31 LYS H H 31 8.246 7.568 0.678 1
1 259 . 20 1 1 A 31 31 LYS HA H 31 3.844 4.082 -0.238 1
1 266 . 20 1 1 A 31 31 LYS C C 31 177.968 179.779 -1.811 1
1 267 . 20 1 1 A 31 31 LYS CA C 31 59.889 59.564 0.325 1
1 268 . 20 1 1 A 31 31 LYS CB C 31 32.350 32.226 0.124 1
1 272 . 20 1 1 A 31 31 LYS N N 31 119.315 120.137 -0.822 1
1 273 . 20 1 1 A 32 32 LYS H H 32 7.698 7.810 -0.112 1
1 274 . 20 1 1 A 32 32 LYS HA H 32 4.043 3.865 0.178 1
1 282 . 20 1 1 A 32 32 LYS C C 32 178.848 179.530 -0.682 1
1 283 . 20 1 1 A 32 32 LYS CA C 32 59.479 60.128 -0.649 1
1 284 . 20 1 1 A 32 32 LYS CB C 32 32.459 32.312 0.147 1
1 288 . 20 1 1 A 32 32 LYS N N 32 118.195 119.554 -1.359 1
1 289 . 20 1 1 A 33 33 GLU H H 33 7.512 7.855 -0.343 1
1 290 . 20 1 1 A 33 33 GLU HA H 33 4.031 4.080 -0.049 1
1 295 . 20 1 1 A 33 33 GLU C C 33 178.989 179.578 -0.589 1
1 296 . 20 1 1 A 33 33 GLU CA C 33 59.157 58.940 0.217 1
1 297 . 20 1 1 A 33 33 GLU CB C 33 29.220 29.886 -0.666 1
1 299 . 20 1 1 A 33 33 GLU N N 33 118.459 119.665 -1.206 1
1 300 . 20 1 1 A 34 34 ILE H H 34 7.912 7.917 -0.005 1
1 301 . 20 1 1 A 34 34 ILE HA H 34 3.503 3.847 -0.344 1
1 311 . 20 1 1 A 34 34 ILE C C 34 180.639 177.834 2.805 1
1 312 . 20 1 1 A 34 34 ILE CA C 34 65.305 63.994 1.311 1
1 313 . 20 1 1 A 34 34 ILE CB C 34 38.540 37.454 1.086 1
1 317 . 20 1 1 A 34 34 ILE N N 34 120.176 117.836 2.340 1
1 318 . 20 1 1 A 35 35 ASP H H 35 8.457 8.178 0.279 1
1 319 . 20 1 1 A 35 35 ASP HA H 35 4.145 4.297 -0.152 1
1 322 . 20 1 1 A 35 35 ASP C C 35 178.790 178.259 0.531 1
1 323 . 20 1 1 A 35 35 ASP CA C 35 58.322 57.401 0.921 1
1 324 . 20 1 1 A 35 35 ASP CB C 35 39.538 39.854 -0.316 1
1 325 . 20 1 1 A 35 35 ASP N N 35 123.589 121.838 1.751 1
1 326 . 20 1 1 A 36 36 LYS H H 36 7.573 7.714 -0.141 1
1 327 . 20 1 1 A 36 36 LYS HA H 36 4.187 4.176 0.011 1
1 334 . 20 1 1 A 36 36 LYS C C 36 176.400 177.805 -1.405 1
1 335 . 20 1 1 A 36 36 LYS CA C 36 58.656 58.181 0.475 1
1 336 . 20 1 1 A 36 36 LYS CB C 36 32.991 32.144 0.847 1
1 340 . 20 1 1 A 36 36 LYS N N 36 117.506 118.113 -0.607 1
1 341 . 20 1 1 A 37 37 ARG H H 37 7.397 7.554 -0.157 1
1 342 . 20 1 1 A 37 37 ARG HA H 37 4.658 4.633 0.025 1
1 348 . 20 1 1 A 37 37 ARG C C 37 174.361 175.382 -1.021 1
1 349 . 20 1 1 A 37 37 ARG CA C 37 55.793 55.291 0.502 1
1 350 . 20 1 1 A 37 37 ARG CB C 37 31.260 30.475 0.785 1
1 353 . 20 1 1 A 37 37 ARG N N 37 115.182 117.686 -2.504 1
1 354 . 20 1 1 A 38 38 SER H H 38 7.416 7.593 -0.177 1
1 355 . 20 1 1 A 38 38 SER HA H 38 6.346 5.004 1.342 1
1 358 . 20 1 1 A 38 38 SER C C 38 173.807 173.969 -0.162 1
1 359 . 20 1 1 A 38 38 SER CA C 38 57.574 58.402 -0.828 1
1 360 . 20 1 1 A 38 38 SER CB C 38 67.003 64.516 2.487 1
1 361 . 20 1 1 A 38 38 SER N N 38 112.872 118.210 -5.338 1
1 362 . 20 1 1 A 39 39 VAL H H 39 8.812 9.120 -0.308 1
1 363 . 20 1 1 A 39 39 VAL HA H 39 5.117 5.298 -0.181 1
1 371 . 20 1 1 A 39 39 VAL C C 39 174.519 173.362 1.157 1
1 372 . 20 1 1 A 39 39 VAL CA C 39 59.085 59.017 0.068 1
1 373 . 20 1 1 A 39 39 VAL CB C 39 34.476 35.609 -1.133 1
1 376 . 20 1 1 A 39 39 VAL N N 39 111.961 119.687 -7.726 1
1 377 . 20 1 1 A 40 40 TYR H H 40 9.366 9.670 -0.304 1
1 378 . 20 1 1 A 40 40 TYR HA H 40 5.108 5.433 -0.325 1
1 385 . 20 1 1 A 40 40 TYR C C 40 172.976 173.764 -0.788 1
1 386 . 20 1 1 A 40 40 TYR CA C 40 56.633 55.482 1.151 1
1 387 . 20 1 1 A 40 40 TYR CB C 40 41.058 41.825 -0.767 1
1 390 . 20 1 1 A 40 40 TYR N N 40 123.743 124.766 -1.023 1
1 391 . 20 1 1 A 41 41 VAL H H 41 8.734 9.248 -0.514 1
1 392 . 20 1 1 A 41 41 VAL HA H 41 4.876 4.732 0.144 1
1 400 . 20 1 1 A 41 41 VAL C C 41 174.651 175.080 -0.429 1
1 401 . 20 1 1 A 41 41 VAL CA C 41 59.798 60.694 -0.896 1
1 402 . 20 1 1 A 41 41 VAL CB C 41 33.329 31.974 1.355 1
1 405 . 20 1 1 A 41 41 VAL N N 41 127.436 127.657 -0.221 1
1 406 . 20 1 1 A 42 42 GLY H H 42 9.669 8.561 1.108 1
1 407 . 20 1 1 A 42 42 GLY HA2 H 42 3.612 3.743 -0.131 1
1 408 . 20 1 1 A 42 42 GLY HA3 H 42 4.392 3.836 0.556 1
1 409 . 20 1 1 A 42 42 GLY C C 42 173.639 174.581 -0.942 1
1 410 . 20 1 1 A 42 42 GLY CA C 42 44.169 43.920 0.249 1
1 411 . 20 1 1 A 42 42 GLY N N 42 113.263 114.946 -1.683 1
1 412 . 20 1 1 A 43 43 ASN H H 43 8.412 9.063 -0.651 1
1 413 . 20 1 1 A 43 43 ASN HA H 43 4.510 4.429 0.081 1
1 418 . 20 1 1 A 43 43 ASN C C 43 174.364 175.214 -0.850 1
1 419 . 20 1 1 A 43 43 ASN CA C 43 53.557 54.245 -0.688 1
1 420 . 20 1 1 A 43 43 ASN CB C 43 37.283 38.138 -0.855 1
1 421 . 20 1 1 A 43 43 ASN N N 43 115.451 119.357 -3.906 1
1 423 . 20 1 1 A 44 44 VAL H H 44 7.083 7.823 -0.740 1
1 424 . 20 1 1 A 44 44 VAL HA H 44 3.975 4.015 -0.040 1
1 432 . 20 1 1 A 44 44 VAL C C 44 175.885 174.714 1.171 1
1 433 . 20 1 1 A 44 44 VAL CA C 44 61.614 62.672 -1.058 1
1 434 . 20 1 1 A 44 44 VAL CB C 44 32.914 33.055 -0.141 1
1 437 . 20 1 1 A 44 44 VAL N N 44 115.399 119.889 -4.490 1
1 438 . 20 1 1 A 45 45 ASP H H 45 8.305 8.728 -0.423 1
1 439 . 20 1 1 A 45 45 ASP HA H 45 4.467 4.788 -0.321 1
1 442 . 20 1 1 A 45 45 ASP C C 45 177.205 176.832 0.373 1
1 443 . 20 1 1 A 45 45 ASP CA C 45 54.613 54.593 0.020 1
1 444 . 20 1 1 A 45 45 ASP CB C 45 43.657 43.087 0.570 1
1 445 . 20 1 1 A 45 45 ASP N N 45 124.440 127.186 -2.746 1
1 446 . 20 1 1 A 46 46 TYR H H 46 8.715 9.117 -0.402 1
1 447 . 20 1 1 A 46 46 TYR HA H 46 4.483 4.167 0.316 1
1 454 . 20 1 1 A 46 46 TYR C C 46 175.453 177.263 -1.810 1
1 455 . 20 1 1 A 46 46 TYR CA C 46 59.464 60.545 -1.081 1
1 456 . 20 1 1 A 46 46 TYR CB C 46 38.753 39.142 -0.389 1
1 458 . 20 1 1 A 46 46 TYR N N 46 125.588 127.585 -1.997 1
1 459 . 20 1 1 A 47 47 GLY H H 47 8.387 8.788 -0.401 1
1 460 . 20 1 1 A 47 47 GLY HA2 H 47 3.561 4.006 -0.445 1
1 461 . 20 1 1 A 47 47 GLY HA3 H 47 4.348 4.046 0.302 1
1 462 . 20 1 1 A 47 47 GLY C C 47 173.578 174.384 -0.806 1
1 463 . 20 1 1 A 47 47 GLY CA C 47 44.965 45.571 -0.606 1
1 464 . 20 1 1 A 47 47 GLY N N 47 106.974 106.878 0.096 1
1 465 . 20 1 1 A 48 48 SER H H 48 7.417 7.909 -0.492 1
1 466 . 20 1 1 A 48 48 SER HA H 48 4.428 4.402 0.026 1
1 468 . 20 1 1 A 48 48 SER C C 48 173.220 174.440 -1.220 1
1 469 . 20 1 1 A 48 48 SER CA C 48 59.892 59.475 0.417 1
1 470 . 20 1 1 A 48 48 SER CB C 48 64.519 63.925 0.594 1
1 471 . 20 1 1 A 48 48 SER N N 48 115.423 116.408 -0.985 1
1 472 . 20 1 1 A 49 49 THR H H 49 8.474 8.372 0.102 1
1 473 . 20 1 1 A 49 49 THR HA H 49 4.660 4.723 -0.063 1
1 478 . 20 1 1 A 49 49 THR C C 49 175.940 175.840 0.100 1
1 479 . 20 1 1 A 49 49 THR CA C 49 58.831 60.038 -1.207 1
1 480 . 20 1 1 A 49 49 THR CB C 49 72.585 72.119 0.466 1
1 482 . 20 1 1 A 49 49 THR N N 49 112.103 117.089 -4.986 1
1 483 . 20 1 1 A 50 50 ALA H H 50 9.723 9.125 0.598 1
1 484 . 20 1 1 A 50 50 ALA HA H 50 3.923 4.042 -0.119 1
1 488 . 20 1 1 A 50 50 ALA C C 50 179.045 179.843 -0.798 1
1 489 . 20 1 1 A 50 50 ALA CA C 50 55.643 55.527 0.116 1
1 490 . 20 1 1 A 50 50 ALA CB C 50 18.259 18.096 0.163 1
1 491 . 20 1 1 A 50 50 ALA N N 50 123.988 124.089 -0.101 1
1 492 . 20 1 1 A 51 51 GLN H H 51 7.730 8.325 -0.595 1
1 493 . 20 1 1 A 51 51 GLN HA H 51 3.940 4.077 -0.137 1
1 500 . 20 1 1 A 51 51 GLN C C 51 178.215 178.419 -0.204 1
1 501 . 20 1 1 A 51 51 GLN CA C 51 59.096 58.961 0.135 1
1 502 . 20 1 1 A 51 51 GLN CB C 51 28.508 28.380 0.128 1
1 504 . 20 1 1 A 51 51 GLN N N 51 116.375 117.654 -1.279 1
1 505 . 20 1 1 A 52 52 ASP H H 52 8.273 7.753 0.520 1
1 506 . 20 1 1 A 52 52 ASP HA H 52 4.587 4.490 0.097 1
1 507 . 20 1 1 A 52 52 ASP C C 52 179.837 178.895 0.942 1
1 508 . 20 1 1 A 52 52 ASP CA C 52 57.556 57.294 0.262 1
1 509 . 20 1 1 A 52 52 ASP CB C 52 41.057 41.141 -0.084 1
1 510 . 20 1 1 A 52 52 ASP N N 52 120.755 119.440 1.315 1
1 511 . 20 1 1 A 53 53 LEU H H 53 7.855 8.254 -0.399 1
1 512 . 20 1 1 A 53 53 LEU HA H 53 3.933 4.196 -0.263 1
1 522 . 20 1 1 A 53 53 LEU C C 53 178.463 179.097 -0.634 1
1 523 . 20 1 1 A 53 53 LEU CA C 53 58.367 58.130 0.237 1
1 524 . 20 1 1 A 53 53 LEU CB C 53 42.646 41.366 1.280 1
1 528 . 20 1 1 A 53 53 LEU N N 53 122.035 119.870 2.165 1
1 529 . 20 1 1 A 54 54 GLU H H 54 8.804 9.068 -0.264 1
1 530 . 20 1 1 A 54 54 GLU HA H 54 3.745 3.962 -0.217 1
1 534 . 20 1 1 A 54 54 GLU C C 54 178.467 178.475 -0.008 1
1 535 . 20 1 1 A 54 54 GLU CA C 54 59.833 59.743 0.090 1
1 536 . 20 1 1 A 54 54 GLU CB C 54 29.238 29.375 -0.137 1
1 538 . 20 1 1 A 54 54 GLU N N 54 120.472 119.856 0.616 1
1 539 . 20 1 1 A 55 55 ALA H H 55 8.098 7.916 0.182 1
1 540 . 20 1 1 A 55 55 ALA HA H 55 4.249 4.215 0.034 1
1 544 . 20 1 1 A 55 55 ALA C C 55 180.711 179.689 1.022 1
1 545 . 20 1 1 A 55 55 ALA CA C 55 55.077 54.975 0.102 1
1 546 . 20 1 1 A 55 55 ALA CB C 55 18.164 18.183 -0.019 1
1 547 . 20 1 1 A 55 55 ALA N N 55 119.302 122.303 -3.001 1
1 548 . 20 1 1 A 56 56 HIS H H 56 7.927 7.708 0.219 1
1 549 . 20 1 1 A 56 56 HIS HA H 56 4.281 4.351 -0.070 1
1 553 . 20 1 1 A 56 56 HIS C C 56 176.342 177.218 -0.876 1
1 554 . 20 1 1 A 56 56 HIS CA C 56 59.362 59.356 0.006 1
1 555 . 20 1 1 A 56 56 HIS CB C 56 31.200 30.174 1.026 1
1 556 . 20 1 1 A 56 56 HIS N N 56 117.016 118.234 -1.218 1
1 557 . 20 1 1 A 57 57 PHE H H 57 7.811 8.299 -0.488 1
1 558 . 20 1 1 A 57 57 PHE HA H 57 4.554 4.407 0.147 1
1 565 . 20 1 1 A 57 57 PHE C C 57 177.301 178.215 -0.914 1
1 566 . 20 1 1 A 57 57 PHE CA C 57 59.480 61.904 -2.424 1
1 567 . 20 1 1 A 57 57 PHE CB C 57 40.432 38.758 1.674 1
1 571 . 20 1 1 A 57 57 PHE N N 57 111.423 116.049 -4.626 1
1 572 . 20 1 1 A 58 58 SER H H 58 8.126 8.305 -0.179 1
1 573 . 20 1 1 A 58 58 SER HA H 58 4.468 4.774 -0.306 1
1 575 . 20 1 1 A 58 58 SER C C 58 176.676 176.616 0.060 1
1 576 . 20 1 1 A 58 58 SER CA C 58 62.159 61.908 0.251 1
1 577 . 20 1 1 A 58 58 SER N N 58 118.439 116.942 1.497 1
1 578 . 20 1 1 A 59 59 SER H H 59 8.422 7.599 0.823 1
1 579 . 20 1 1 A 59 59 SER HA H 59 4.291 4.300 -0.009 1
1 581 . 20 1 1 A 59 59 SER C C 59 175.955 175.005 0.950 1
1 582 . 20 1 1 A 59 59 SER CA C 59 60.277 61.276 -0.999 1
1 583 . 20 1 1 A 59 59 SER CB C 59 62.444 62.970 -0.526 1
1 584 . 20 1 1 A 59 59 SER N N 59 116.618 118.101 -1.483 1
1 585 . 20 1 1 A 60 60 CYS H H 60 8.226 7.940 0.286 1
1 586 . 20 1 1 A 60 60 CYS HA H 60 4.067 4.442 -0.375 1
1 589 . 20 1 1 A 60 60 CYS C C 60 174.682 174.500 0.182 1
1 590 . 20 1 1 A 60 60 CYS CA C 60 60.683 59.715 0.968 1
1 591 . 20 1 1 A 60 60 CYS CB C 60 28.894 28.268 0.626 1
1 592 . 20 1 1 A 60 60 CYS N N 60 118.900 117.660 1.240 1
1 593 . 20 1 1 A 61 61 GLY H H 61 7.414 7.393 0.021 1
1 594 . 20 1 1 A 61 61 GLY HA2 H 61 3.887 4.081 -0.194 1
1 595 . 20 1 1 A 61 61 GLY HA3 H 61 4.489 4.136 0.353 1
1 596 . 20 1 1 A 61 61 GLY C C 61 171.619 172.490 -0.871 1
1 597 . 20 1 1 A 61 61 GLY CA C 61 44.000 44.720 -0.720 1
1 598 . 20 1 1 A 61 61 GLY N N 61 106.320 108.664 -2.344 1
1 599 . 20 1 1 A 62 62 SER H H 62 8.182 8.049 0.133 1
1 600 . 20 1 1 A 62 62 SER HA H 62 4.420 5.132 -0.712 1
1 603 . 20 1 1 A 62 62 SER C C 62 175.295 174.338 0.957 1
1 604 . 20 1 1 A 62 62 SER CA C 62 59.839 58.567 1.272 1
1 605 . 20 1 1 A 62 62 SER CB C 62 63.617 63.976 -0.359 1
1 606 . 20 1 1 A 62 62 SER N N 62 112.485 117.540 -5.055 1
1 607 . 20 1 1 A 63 63 ILE H H 63 8.857 9.030 -0.173 1
1 608 . 20 1 1 A 63 63 ILE HA H 63 4.007 3.909 0.098 1
1 618 . 20 1 1 A 63 63 ILE C C 63 175.045 176.085 -1.040 1
1 619 . 20 1 1 A 63 63 ILE CA C 63 61.979 61.885 0.094 1
1 620 . 20 1 1 A 63 63 ILE CB C 63 41.048 37.574 3.474 1
1 624 . 20 1 1 A 63 63 ILE N N 63 127.966 127.190 0.776 1
1 625 . 20 1 1 A 64 64 ASN H H 64 8.897 9.314 -0.417 1
1 626 . 20 1 1 A 64 64 ASN HA H 64 4.667 4.770 -0.103 1
1 631 . 20 1 1 A 64 64 ASN C C 64 174.686 174.748 -0.062 1
1 632 . 20 1 1 A 64 64 ASN CA C 64 53.627 54.561 -0.934 1
1 633 . 20 1 1 A 64 64 ASN CB C 64 40.062 40.559 -0.497 1
1 634 . 20 1 1 A 64 64 ASN N N 64 124.997 126.317 -1.320 1
1 636 . 20 1 1 A 65 65 ARG H H 65 7.419 7.735 -0.316 1
1 637 . 20 1 1 A 65 65 ARG HA H 65 5.155 4.947 0.208 1
1 645 . 20 1 1 A 65 65 ARG C C 65 173.788 174.143 -0.355 1
1 646 . 20 1 1 A 65 65 ARG CA C 65 55.703 54.847 0.856 1
1 647 . 20 1 1 A 65 65 ARG CB C 65 35.408 35.162 0.246 1
1 650 . 20 1 1 A 65 65 ARG N N 65 116.737 115.829 0.908 1
1 652 . 20 1 1 A 66 66 ILE H H 66 8.681 8.620 0.061 1
1 653 . 20 1 1 A 66 66 ILE HA H 66 4.574 5.005 -0.431 1
1 663 . 20 1 1 A 66 66 ILE C C 66 173.717 174.368 -0.651 1
1 664 . 20 1 1 A 66 66 ILE CA C 66 61.049 59.065 1.984 1
1 665 . 20 1 1 A 66 66 ILE CB C 66 42.988 42.033 0.955 1
1 669 . 20 1 1 A 66 66 ILE N N 66 123.359 117.271 6.088 1
1 670 . 20 1 1 A 67 67 THR H H 67 8.861 8.822 0.039 1
1 671 . 20 1 1 A 67 67 THR HA H 67 5.378 5.156 0.222 1
1 676 . 20 1 1 A 67 67 THR C C 67 173.526 173.438 0.088 1
1 677 . 20 1 1 A 67 67 THR CA C 67 61.112 61.712 -0.600 1
1 678 . 20 1 1 A 67 67 THR CB C 67 70.857 70.696 0.161 1
1 680 . 20 1 1 A 67 67 THR N N 67 124.375 119.135 5.240 1
1 681 . 20 1 1 A 68 68 ILE H H 68 9.768 9.114 0.654 1
1 682 . 20 1 1 A 68 68 ILE HA H 68 4.333 4.631 -0.298 1
1 692 . 20 1 1 A 68 68 ILE C C 68 173.743 174.869 -1.126 1
1 693 . 20 1 1 A 68 68 ILE CA C 68 61.237 60.090 1.147 1
1 694 . 20 1 1 A 68 68 ILE CB C 68 40.908 40.383 0.525 1
1 698 . 20 1 1 A 68 68 ILE N N 68 127.340 127.553 -0.213 1
1 699 . 20 1 1 A 69 69 LEU H H 69 9.045 8.998 0.047 1
1 700 . 20 1 1 A 69 69 LEU HA H 69 5.074 5.031 0.043 1
1 710 . 20 1 1 A 69 69 LEU C C 69 175.502 175.142 0.360 1
1 711 . 20 1 1 A 69 69 LEU CA C 69 55.186 52.999 2.187 1
1 712 . 20 1 1 A 69 69 LEU CB C 69 42.702 44.361 -1.659 1
1 716 . 20 1 1 A 69 69 LEU N N 69 128.686 125.205 3.481 1
1 717 . 20 1 1 A 70 70 CYS H H 70 8.767 8.877 -0.110 1
1 718 . 20 1 1 A 70 70 CYS HA H 70 5.237 5.524 -0.287 1
1 720 . 20 1 1 A 70 70 CYS C C 70 173.558 173.324 0.234 1
1 721 . 20 1 1 A 70 70 CYS CA C 70 57.609 56.809 0.800 1
1 722 . 20 1 1 A 70 70 CYS CB C 70 29.830 29.355 0.475 1
1 723 . 20 1 1 A 70 70 CYS N N 70 120.856 121.755 -0.899 1
1 724 . 20 1 1 A 71 71 ASP H H 71 9.109 8.774 0.335 1
1 725 . 20 1 1 A 71 71 ASP HA H 71 5.193 5.596 -0.403 1
1 728 . 20 1 1 A 71 71 ASP C C 71 175.440 175.959 -0.519 1
1 729 . 20 1 1 A 71 71 ASP CA C 71 53.705 52.280 1.425 1
1 730 . 20 1 1 A 71 71 ASP CB C 71 44.774 43.630 1.144 1
1 731 . 20 1 1 A 71 71 ASP N N 71 124.936 123.598 1.338 1
1 732 . 20 1 1 A 72 72 LYS H H 72 8.262 8.846 -0.584 1
1 733 . 20 1 1 A 72 72 LYS HA H 72 4.553 4.566 -0.013 1
1 740 . 20 1 1 A 72 72 LYS C C 72 177.732 177.011 0.721 1
1 741 . 20 1 1 A 72 72 LYS CA C 72 55.608 56.278 -0.670 1
1 742 . 20 1 1 A 72 72 LYS CB C 72 32.469 32.231 0.238 1
1 745 . 20 1 1 A 72 72 LYS N N 72 120.339 121.154 -0.815 1
1 746 . 20 1 1 A 73 73 PHE H H 73 8.663 8.234 0.429 1
1 747 . 20 1 1 A 73 73 PHE HA H 73 4.357 4.468 -0.111 1
1 752 . 20 1 1 A 73 73 PHE C C 73 177.148 176.299 0.849 1
1 753 . 20 1 1 A 73 73 PHE CA C 73 60.214 58.701 1.513 1
1 754 . 20 1 1 A 73 73 PHE CB C 73 39.157 37.733 1.424 1
1 756 . 20 1 1 A 73 73 PHE N N 73 121.961 120.223 1.738 1
1 757 . 20 1 1 A 74 74 SER H H 74 8.780 7.610 1.170 1
1 758 . 20 1 1 A 74 74 SER HA H 74 4.353 4.571 -0.218 1
1 760 . 20 1 1 A 74 74 SER C C 74 174.810 174.726 0.084 1
1 761 . 20 1 1 A 74 74 SER CA C 74 58.965 58.438 0.527 1
1 762 . 20 1 1 A 74 74 SER CB C 74 63.650 63.346 0.304 1
1 763 . 20 1 1 A 74 74 SER N N 74 114.021 115.238 -1.217 1
1 764 . 20 1 1 A 75 75 GLY H H 75 8.004 8.226 -0.222 1
1 765 . 20 1 1 A 75 75 GLY HA2 H 75 3.635 3.948 -0.313 1
1 766 . 20 1 1 A 75 75 GLY HA3 H 75 4.221 3.965 0.256 1
1 767 . 20 1 1 A 75 75 GLY C C 75 173.254 173.667 -0.413 1
1 768 . 20 1 1 A 75 75 GLY CA C 75 45.162 45.672 -0.510 1
1 769 . 20 1 1 A 75 75 GLY N N 75 108.714 109.660 -0.946 1
1 770 . 20 1 1 A 76 76 HIS H H 76 7.670 8.354 -0.684 1
1 771 . 20 1 1 A 76 76 HIS HA H 76 5.020 4.707 0.313 1
1 775 . 20 1 1 A 76 76 HIS CA C 76 52.522 53.964 -1.442 1
1 776 . 20 1 1 A 76 76 HIS CB C 76 29.410 30.659 -1.249 1
1 777 . 20 1 1 A 76 76 HIS N N 76 118.164 119.176 -1.012 1
1 778 . 20 1 1 A 77 77 PRO HA H 77 4.551 5.178 -0.627 1
1 784 . 20 1 1 A 77 77 PRO C C 77 176.458 176.780 -0.322 1
1 785 . 20 1 1 A 77 77 PRO CA C 77 63.263 62.970 0.293 1
1 786 . 20 1 1 A 77 77 PRO CB C 77 32.077 31.911 0.166 1
1 789 . 20 1 1 A 78 78 LYS H H 78 8.846 8.789 0.057 1
1 790 . 20 1 1 A 78 78 LYS HA H 78 4.772 4.885 -0.113 1
1 796 . 20 1 1 A 78 78 LYS CA C 78 55.964 54.830 1.134 1
1 797 . 20 1 1 A 78 78 LYS CB C 78 35.816 34.580 1.236 1
1 799 . 20 1 1 A 78 78 LYS N N 78 124.197 122.077 2.120 1
1 800 . 20 1 1 A 79 79 GLY H H 79 8.352 8.422 -0.070 1
1 801 . 20 1 1 A 79 79 GLY HA2 H 79 3.871 4.255 -0.384 1
1 802 . 20 1 1 A 79 79 GLY HA3 H 79 5.451 4.269 1.182 1
1 803 . 20 1 1 A 79 79 GLY C C 79 173.400 172.109 1.291 1
1 804 . 20 1 1 A 79 79 GLY CA C 79 45.189 45.590 -0.401 1
1 805 . 20 1 1 A 79 79 GLY N N 79 109.568 107.786 1.782 1
1 806 . 20 1 1 A 80 80 TYR H H 80 8.856 8.870 -0.014 1
1 807 . 20 1 1 A 80 80 TYR HA H 80 4.940 5.253 -0.313 1
1 814 . 20 1 1 A 80 80 TYR C C 80 171.720 172.568 -0.848 1
1 815 . 20 1 1 A 80 80 TYR CA C 80 56.267 56.169 0.098 1
1 816 . 20 1 1 A 80 80 TYR CB C 80 40.003 41.800 -1.797 1
1 818 . 20 1 1 A 80 80 TYR N N 80 120.052 117.367 2.685 1
1 819 . 20 1 1 A 81 81 ALA H H 81 9.215 9.017 0.198 1
1 820 . 20 1 1 A 81 81 ALA HA H 81 5.386 5.131 0.255 1
1 824 . 20 1 1 A 81 81 ALA C C 81 175.357 175.002 0.355 1
1 825 . 20 1 1 A 81 81 ALA CA C 81 50.089 50.105 -0.016 1
1 826 . 20 1 1 A 81 81 ALA CB C 81 24.030 23.313 0.717 1
1 827 . 20 1 1 A 81 81 ALA N N 81 120.138 122.402 -2.264 1
1 828 . 20 1 1 A 82 82 TYR H H 82 8.974 9.032 -0.058 1
1 829 . 20 1 1 A 82 82 TYR HA H 82 5.885 5.606 0.279 1
1 836 . 20 1 1 A 82 82 TYR C C 82 176.232 174.381 1.851 1
1 837 . 20 1 1 A 82 82 TYR CA C 82 55.626 56.717 -1.091 1
1 838 . 20 1 1 A 82 82 TYR CB C 82 41.536 40.458 1.078 1
1 839 . 20 1 1 A 82 82 TYR N N 82 114.621 118.464 -3.843 1
1 840 . 20 1 1 A 83 83 ILE H H 83 8.644 8.703 -0.059 1
1 841 . 20 1 1 A 83 83 ILE HA H 83 4.275 4.441 -0.166 1
1 851 . 20 1 1 A 83 83 ILE C C 83 173.516 174.745 -1.229 1
1 852 . 20 1 1 A 83 83 ILE CA C 83 60.345 59.834 0.511 1
1 853 . 20 1 1 A 83 83 ILE CB C 83 39.535 38.090 1.445 1
1 857 . 20 1 1 A 83 83 ILE N N 83 122.447 124.696 -2.249 1
1 858 . 20 1 1 A 84 84 GLU H H 84 8.612 9.006 -0.394 1
1 859 . 20 1 1 A 84 84 GLU HA H 84 4.801 5.113 -0.312 1
1 862 . 20 1 1 A 84 84 GLU C C 84 176.111 175.511 0.600 1
1 863 . 20 1 1 A 84 84 GLU CA C 84 54.496 54.833 -0.337 1
1 864 . 20 1 1 A 84 84 GLU CB C 84 31.499 31.639 -0.140 1
1 865 . 20 1 1 A 84 84 GLU N N 84 127.346 126.998 0.348 1
1 866 . 20 1 1 A 85 85 PHE H H 85 9.087 9.322 -0.235 1
1 867 . 20 1 1 A 85 85 PHE HA H 85 4.817 4.820 -0.003 1
1 875 . 20 1 1 A 85 85 PHE C C 85 174.422 176.843 -2.421 1
1 876 . 20 1 1 A 85 85 PHE CA C 85 59.072 57.790 1.282 1
1 877 . 20 1 1 A 85 85 PHE CB C 85 40.765 41.304 -0.539 1
1 878 . 20 1 1 A 85 85 PHE N N 85 128.049 123.942 4.107 1
1 879 . 20 1 1 A 86 86 ALA H H 86 8.192 9.162 -0.970 1
1 880 . 20 1 1 A 86 86 ALA HA H 86 4.239 4.276 -0.037 1
1 884 . 20 1 1 A 86 86 ALA C C 86 178.143 177.829 0.314 1
1 885 . 20 1 1 A 86 86 ALA CA C 86 54.524 54.136 0.388 1
1 886 . 20 1 1 A 86 86 ALA CB C 86 19.510 19.623 -0.113 1
1 887 . 20 1 1 A 86 86 ALA N N 86 120.669 123.549 -2.880 1
1 888 . 20 1 1 A 87 87 GLU H H 87 8.455 7.968 0.487 1
1 889 . 20 1 1 A 87 87 GLU HA H 87 4.765 4.731 0.034 1
1 893 . 20 1 1 A 87 87 GLU C C 87 176.472 176.487 -0.015 1
1 894 . 20 1 1 A 87 87 GLU CA C 87 54.353 54.839 -0.486 1
1 895 . 20 1 1 A 87 87 GLU CB C 87 32.624 31.527 1.097 1
1 897 . 20 1 1 A 87 87 GLU N N 87 114.204 117.569 -3.365 1
1 898 . 20 1 1 A 88 88 ARG H H 88 8.917 8.992 -0.075 1
1 899 . 20 1 1 A 88 88 ARG HA H 88 3.961 4.015 -0.054 1
1 905 . 20 1 1 A 88 88 ARG C C 88 178.900 177.978 0.922 1
1 906 . 20 1 1 A 88 88 ARG CA C 88 59.548 59.066 0.482 1
1 907 . 20 1 1 A 88 88 ARG CB C 88 30.073 30.051 0.022 1
1 910 . 20 1 1 A 88 88 ARG N N 88 121.592 125.036 -3.444 1
1 911 . 20 1 1 A 89 89 ASN H H 89 8.845 7.999 0.846 1
1 912 . 20 1 1 A 89 89 ASN HA H 89 4.497 4.492 0.005 1
1 916 . 20 1 1 A 89 89 ASN C C 89 177.179 178.049 -0.870 1
1 917 . 20 1 1 A 89 89 ASN CA C 89 55.861 55.987 -0.126 1
1 918 . 20 1 1 A 89 89 ASN CB C 89 37.330 37.751 -0.421 1
1 919 . 20 1 1 A 89 89 ASN N N 89 116.555 117.875 -1.320 1
1 921 . 20 1 1 A 90 90 SER H H 90 7.513 8.059 -0.546 1
1 922 . 20 1 1 A 90 90 SER HA H 90 4.006 4.287 -0.281 1
1 925 . 20 1 1 A 90 90 SER C C 90 174.511 175.937 -1.426 1
1 926 . 20 1 1 A 90 90 SER CA C 90 61.395 62.293 -0.898 1
1 927 . 20 1 1 A 90 90 SER CB C 90 63.424 62.632 0.792 1
1 928 . 20 1 1 A 90 90 SER N N 90 116.007 117.821 -1.814 1
1 929 . 20 1 1 A 91 91 VAL H H 91 7.653 7.549 0.104 1
1 930 . 20 1 1 A 91 91 VAL HA H 91 3.201 3.565 -0.364 1
1 938 . 20 1 1 A 91 91 VAL C C 91 176.991 177.709 -0.718 1
1 939 . 20 1 1 A 91 91 VAL CA C 91 66.851 65.354 1.497 1
1 940 . 20 1 1 A 91 91 VAL CB C 91 31.599 31.588 0.011 1
1 943 . 20 1 1 A 91 91 VAL N N 91 119.934 119.183 0.751 1
1 944 . 20 1 1 A 92 92 ASP H H 92 7.192 7.916 -0.724 1
1 945 . 20 1 1 A 92 92 ASP HA H 92 4.321 4.301 0.020 1
1 947 . 20 1 1 A 92 92 ASP C C 92 178.585 178.581 0.004 1
1 948 . 20 1 1 A 92 92 ASP CA C 92 57.401 57.325 0.076 1
1 949 . 20 1 1 A 92 92 ASP CB C 92 40.078 40.087 -0.009 1
1 950 . 20 1 1 A 92 92 ASP N N 92 117.084 122.360 -5.276 1
1 951 . 20 1 1 A 93 93 ALA H H 93 6.946 7.722 -0.776 1
1 952 . 20 1 1 A 93 93 ALA HA H 93 4.186 4.196 -0.010 1
1 956 . 20 1 1 A 93 93 ALA C C 93 179.272 179.861 -0.589 1
1 957 . 20 1 1 A 93 93 ALA CA C 93 54.445 54.603 -0.158 1
1 958 . 20 1 1 A 93 93 ALA CB C 93 18.164 18.199 -0.035 1
1 959 . 20 1 1 A 93 93 ALA N N 93 121.045 122.366 -1.321 1
1 960 . 20 1 1 A 94 94 ALA H H 94 8.033 7.665 0.368 1
1 961 . 20 1 1 A 94 94 ALA HA H 94 4.545 4.187 0.358 1
1 965 . 20 1 1 A 94 94 ALA C C 94 180.529 179.593 0.936 1
1 966 . 20 1 1 A 94 94 ALA CA C 94 55.518 55.152 0.366 1
1 967 . 20 1 1 A 94 94 ALA CB C 94 19.455 18.576 0.879 1
1 968 . 20 1 1 A 94 94 ALA N N 94 122.191 120.633 1.558 1
1 969 . 20 1 1 A 95 95 VAL H H 95 8.565 8.432 0.133 1
1 970 . 20 1 1 A 95 95 VAL HA H 95 3.741 3.867 -0.126 1
1 978 . 20 1 1 A 95 95 VAL C C 95 178.767 177.918 0.849 1
1 979 . 20 1 1 A 95 95 VAL CA C 95 65.820 64.805 1.015 1
1 980 . 20 1 1 A 95 95 VAL CB C 95 31.501 31.453 0.048 1
1 983 . 20 1 1 A 95 95 VAL N N 95 117.405 116.664 0.741 1
1 984 . 20 1 1 A 96 96 ALA H H 96 7.354 8.054 -0.700 1
1 985 . 20 1 1 A 96 96 ALA HA H 96 4.403 4.216 0.187 1
1 989 . 20 1 1 A 96 96 ALA C C 96 178.242 178.309 -0.067 1
1 990 . 20 1 1 A 96 96 ALA CA C 96 53.916 54.038 -0.122 1
1 991 . 20 1 1 A 96 96 ALA CB C 96 17.841 18.288 -0.447 1
1 992 . 20 1 1 A 96 96 ALA N N 96 122.769 123.769 -1.000 1
1 993 . 20 1 1 A 97 97 MET H H 97 7.980 8.051 -0.071 1
1 994 . 20 1 1 A 97 97 MET HA H 97 4.471 4.775 -0.304 1
1 1002 . 20 1 1 A 97 97 MET C C 97 175.959 176.499 -0.540 1
1 1003 . 20 1 1 A 97 97 MET CA C 97 55.150 54.626 0.524 1
1 1004 . 20 1 1 A 97 97 MET CB C 97 31.663 32.451 -0.788 1
1 1007 . 20 1 1 A 97 97 MET N N 97 115.573 116.311 -0.738 1
1 1008 . 20 1 1 A 98 98 ASP H H 98 7.852 8.371 -0.519 1
1 1009 . 20 1 1 A 98 98 ASP HA H 98 4.422 4.433 -0.011 1
1 1012 . 20 1 1 A 98 98 ASP C C 98 175.976 176.325 -0.349 1
1 1013 . 20 1 1 A 98 98 ASP CA C 98 57.476 57.267 0.209 1
1 1014 . 20 1 1 A 98 98 ASP CB C 98 42.008 40.702 1.306 1
1 1015 . 20 1 1 A 98 98 ASP N N 98 121.576 120.137 1.439 1
1 1016 . 20 1 1 A 99 99 GLU H H 99 8.643 7.980 0.663 1
1 1017 . 20 1 1 A 99 99 GLU HA H 99 4.154 4.888 -0.734 1
1 1022 . 20 1 1 A 99 99 GLU C C 99 176.369 175.248 1.121 1
1 1023 . 20 1 1 A 99 99 GLU CA C 99 58.403 55.274 3.129 1
1 1024 . 20 1 1 A 99 99 GLU CB C 99 26.214 31.497 -5.283 1
1 1026 . 20 1 1 A 99 99 GLU N N 99 119.455 118.710 0.745 1
1 1027 . 20 1 1 A 100 100 THR H H 100 7.416 8.294 -0.878 1
1 1028 . 20 1 1 A 100 100 THR HA H 100 4.498 4.869 -0.371 1
1 1033 . 20 1 1 A 100 100 THR C C 100 172.876 171.568 1.308 1
1 1034 . 20 1 1 A 100 100 THR CA C 100 61.065 60.282 0.783 1
1 1035 . 20 1 1 A 100 100 THR CB C 100 72.140 70.605 1.535 1
1 1037 . 20 1 1 A 100 100 THR N N 100 107.670 120.325 -12.655 1
1 1038 . 20 1 1 A 101 101 VAL H H 101 8.252 9.044 -0.792 1
1 1039 . 20 1 1 A 101 101 VAL HA H 101 4.638 5.376 -0.738 1
1 1047 . 20 1 1 A 101 101 VAL C C 101 176.138 174.139 1.999 1
1 1048 . 20 1 1 A 101 101 VAL CA C 101 62.299 59.621 2.678 1
1 1049 . 20 1 1 A 101 101 VAL CB C 101 32.215 34.503 -2.288 1
1 1052 . 20 1 1 A 101 101 VAL N N 101 118.227 122.567 -4.340 1
1 1053 . 20 1 1 A 102 102 PHE H H 102 9.300 9.836 -0.536 1
1 1054 . 20 1 1 A 102 102 PHE HA H 102 4.671 4.874 -0.203 1
1 1061 . 20 1 1 A 102 102 PHE C C 102 174.216 174.650 -0.434 1
1 1062 . 20 1 1 A 102 102 PHE CA C 102 56.205 57.419 -1.214 1
1 1063 . 20 1 1 A 102 102 PHE CB C 102 41.707 42.099 -0.392 1
1 1064 . 20 1 1 A 102 102 PHE N N 102 128.863 129.818 -0.955 1
1 1065 . 20 1 1 A 103 103 ARG H H 103 9.167 9.403 -0.236 1
1 1066 . 20 1 1 A 103 103 ARG HA H 103 3.389 3.818 -0.429 1
1 1075 . 20 1 1 A 103 103 ARG C C 103 176.014 176.221 -0.207 1
1 1076 . 20 1 1 A 103 103 ARG CA C 103 57.215 56.976 0.239 1
1 1077 . 20 1 1 A 103 103 ARG CB C 103 27.382 27.701 -0.319 1
1 1080 . 20 1 1 A 103 103 ARG N N 103 128.268 128.276 -0.008 1
1 1082 . 20 1 1 A 104 104 GLY H H 104 8.005 8.487 -0.482 1
1 1083 . 20 1 1 A 104 104 GLY HA2 H 104 4.006 3.845 0.161 1
1 1084 . 20 1 1 A 104 104 GLY HA3 H 104 3.455 3.852 -0.397 1
1 1085 . 20 1 1 A 104 104 GLY C C 104 173.766 173.850 -0.084 1
1 1086 . 20 1 1 A 104 104 GLY CA C 104 45.598 45.301 0.297 1
1 1087 . 20 1 1 A 104 104 GLY N N 104 101.324 104.769 -3.445 1
1 1088 . 20 1 1 A 105 105 ARG H H 105 7.681 7.722 -0.041 1
1 1089 . 20 1 1 A 105 105 ARG HA H 105 4.735 4.604 0.131 1
1 1097 . 20 1 1 A 105 105 ARG C C 105 174.543 175.638 -1.095 1
1 1098 . 20 1 1 A 105 105 ARG CA C 105 54.071 54.941 -0.870 1
1 1099 . 20 1 1 A 105 105 ARG CB C 105 33.159 31.909 1.250 1
1 1102 . 20 1 1 A 105 105 ARG N N 105 119.837 120.569 -0.732 1
1 1104 . 20 1 1 A 106 106 THR H H 106 8.604 8.563 0.041 1
1 1105 . 20 1 1 A 106 106 THR HA H 106 4.593 5.004 -0.411 1
1 1110 . 20 1 1 A 106 106 THR C C 106 175.643 174.466 1.177 1
1 1111 . 20 1 1 A 106 106 THR CA C 106 62.821 62.939 -0.118 1
1 1112 . 20 1 1 A 106 106 THR CB C 106 68.784 69.261 -0.477 1
1 1114 . 20 1 1 A 106 106 THR N N 106 118.251 117.303 0.948 1
1 1115 . 20 1 1 A 107 107 ILE H H 107 8.756 9.085 -0.329 1
1 1116 . 20 1 1 A 107 107 ILE HA H 107 4.884 4.987 -0.103 1
1 1126 . 20 1 1 A 107 107 ILE C C 107 174.877 174.127 0.750 1
1 1127 . 20 1 1 A 107 107 ILE CA C 107 60.834 59.111 1.723 1
1 1128 . 20 1 1 A 107 107 ILE CB C 107 40.644 40.367 0.277 1
1 1132 . 20 1 1 A 107 107 ILE N N 107 123.422 123.760 -0.338 1
1 1133 . 20 1 1 A 108 108 LYS H H 108 7.412 8.287 -0.875 1
1 1134 . 20 1 1 A 108 108 LYS HA H 108 5.524 5.716 -0.192 1
1 1141 . 20 1 1 A 108 108 LYS C C 108 175.839 174.618 1.221 1
1 1142 . 20 1 1 A 108 108 LYS CA C 108 52.172 54.676 -2.504 1
1 1143 . 20 1 1 A 108 108 LYS CB C 108 33.947 35.925 -1.978 1
1 1147 . 20 1 1 A 108 108 LYS N N 108 121.402 122.015 -0.613 1
1 1148 . 20 1 1 A 109 109 VAL H H 109 9.467 8.767 0.700 1
1 1149 . 20 1 1 A 109 109 VAL HA H 109 5.410 5.199 0.211 1
1 1157 . 20 1 1 A 109 109 VAL C C 109 174.514 174.643 -0.129 1
1 1158 . 20 1 1 A 109 109 VAL CA C 109 61.258 61.545 -0.287 1
1 1159 . 20 1 1 A 109 109 VAL CB C 109 34.289 33.325 0.964 1
1 1162 . 20 1 1 A 109 109 VAL N N 109 125.530 126.902 -1.372 1
1 1163 . 20 1 1 A 110 110 LEU H H 110 9.081 9.213 -0.132 1
1 1164 . 20 1 1 A 110 110 LEU HA H 110 5.109 4.948 0.161 1
1 1173 . 20 1 1 A 110 110 LEU CA C 110 51.660 51.064 0.596 1
1 1174 . 20 1 1 A 110 110 LEU CB C 110 46.037 45.823 0.214 1
1 1178 . 20 1 1 A 110 110 LEU N N 110 125.323 129.118 -3.795 1
1 1179 . 20 1 1 A 111 111 PRO HA H 111 4.539 4.801 -0.262 1
1 1186 . 20 1 1 A 111 111 PRO C C 111 176.222 177.668 -1.446 1
1 1187 . 20 1 1 A 111 111 PRO CA C 111 63.390 63.022 0.368 1
1 1188 . 20 1 1 A 111 111 PRO CB C 111 31.697 31.954 -0.257 1
1 1191 . 20 1 1 A 112 112 LYS H H 112 8.121 9.127 -1.006 1
1 1192 . 20 1 1 A 112 112 LYS HA H 112 4.113 4.207 -0.094 1
1 1199 . 20 1 1 A 112 112 LYS C C 112 175.830 177.893 -2.063 1
1 1200 . 20 1 1 A 112 112 LYS CA C 112 58.405 58.625 -0.220 1
1 1201 . 20 1 1 A 112 112 LYS CB C 112 33.746 32.354 1.392 1
1 1204 . 20 1 1 A 112 112 LYS N N 112 124.317 123.897 0.420 1
1 1205 . 20 1 1 A 113 113 ARG H H 113 8.228 8.044 0.184 1
1 1206 . 20 1 1 A 113 113 ARG HA H 113 4.451 4.129 0.322 1
1 1211 . 20 1 1 A 113 113 ARG C C 113 175.758 178.766 -3.008 1
1 1212 . 20 1 1 A 113 113 ARG CA C 113 55.468 58.350 -2.882 1
1 1213 . 20 1 1 A 113 113 ARG CB C 113 31.550 30.137 1.413 1
1 1215 . 20 1 1 A 113 113 ARG N N 113 121.228 120.247 0.981 1
1 1216 . 20 1 1 A 114 114 THR H H 114 8.138 7.309 0.829 1
1 1217 . 20 1 1 A 114 114 THR HA H 114 4.264 4.234 0.030 1
1 1222 . 20 1 1 A 114 114 THR C C 114 174.043 174.747 -0.704 1
1 1223 . 20 1 1 A 114 114 THR CA C 114 62.229 64.917 -2.688 1
1 1224 . 20 1 1 A 114 114 THR CB C 114 69.682 69.558 0.124 1
1 1226 . 20 1 1 A 114 114 THR N N 114 116.384 113.073 3.311 1
1 1227 . 20 1 1 A 115 115 ASN H H 115 8.406 8.245 0.161 1
1 1228 . 20 1 1 A 115 115 ASN HA H 115 4.682 5.249 -0.567 1
1 1233 . 20 1 1 A 115 115 ASN C C 115 174.513 174.028 0.485 1
1 1234 . 20 1 1 A 115 115 ASN CA C 115 53.242 51.799 1.443 1
1 1235 . 20 1 1 A 115 115 ASN CB C 115 38.888 40.358 -1.470 1
1 1236 . 20 1 1 A 115 115 ASN N N 115 120.871 118.253 2.618 1
1 1238 . 20 1 1 A 116 116 MET H H 116 8.138 8.961 -0.823 1
1 1239 . 20 1 1 A 116 116 MET CA C 116 53.400 52.735 0.665 1
1 1240 . 20 1 1 A 116 116 MET CB C 116 32.829 35.069 -2.240 1
1 1241 . 20 1 1 A 116 116 MET N N 116 121.611 124.440 -2.829 1
1 1242 . 20 1 1 A 117 117 PRO HA H 117 4.428 5.018 -0.590 1
1 1245 . 20 1 1 A 117 117 PRO C C 117 175.935 176.069 -0.134 1
1 1246 . 20 1 1 A 117 117 PRO CA C 117 63.489 63.180 0.309 1
1 1247 . 20 1 1 A 117 117 PRO CB C 117 32.105 33.339 -1.234 1
1 1248 . 20 1 1 A 118 118 GLY H H 118 8.411 8.200 0.211 1
1 1249 . 20 1 1 A 118 118 GLY HA2 H 118 3.927 4.155 -0.228 1
1 1250 . 20 1 1 A 118 118 GLY HA3 H 118 4.389 4.155 0.234 1
1 1251 . 20 1 1 A 118 118 GLY C C 118 174.117 172.135 1.982 1
1 1252 . 20 1 1 A 118 118 GLY CA C 118 45.470 44.755 0.715 1
1 1253 . 20 1 1 A 118 118 GLY N N 118 109.241 108.532 0.709 1
1 1254 . 20 1 1 A 119 119 ILE H H 119 7.825 8.228 -0.403 1
1 1255 . 20 1 1 A 119 119 ILE HA H 119 4.234 4.865 -0.631 1
1 1265 . 20 1 1 A 119 119 ILE C C 119 176.261 175.898 0.363 1
1 1266 . 20 1 1 A 119 119 ILE CA C 119 61.029 59.424 1.605 1
1 1267 . 20 1 1 A 119 119 ILE CB C 119 38.878 40.169 -1.291 1
1 1270 . 20 1 1 A 119 119 ILE N N 119 119.504 123.065 -3.561 1
1 1271 . 20 1 1 A 120 120 SER H H 120 8.397 8.627 -0.230 1
1 1272 . 20 1 1 A 120 120 SER HA H 120 4.534 4.674 -0.140 1
1 1274 . 20 1 1 A 120 120 SER C C 120 174.692 173.737 0.955 1
1 1275 . 20 1 1 A 120 120 SER CA C 120 58.150 59.458 -1.308 1
1 1276 . 20 1 1 A 120 120 SER CB C 120 63.997 62.673 1.324 1
1 1277 . 20 1 1 A 120 120 SER N N 120 119.359 123.355 -3.996 1
1 1278 . 20 1 1 A 121 121 SER H H 121 8.371 8.752 -0.381 1
1 1279 . 20 1 1 A 121 121 SER HA H 121 4.360 4.912 -0.552 1
1 1280 . 20 1 1 A 121 121 SER C C 121 174.809 173.094 1.715 1
1 1281 . 20 1 1 A 121 121 SER CA C 121 58.656 57.280 1.376 1
1 1282 . 20 1 1 A 121 121 SER CB C 121 63.795 63.776 0.019 1
1 1283 . 20 1 1 A 121 121 SER N N 121 118.036 124.985 -6.949 1
1 1284 . 20 1 1 A 122 122 THR H H 122 8.100 8.467 -0.367 1
1 1285 . 20 1 1 A 122 122 THR C C 122 174.254 172.679 1.575 1
1 1286 . 20 1 1 A 122 122 THR CA C 122 61.829 61.675 0.154 1
1 1287 . 20 1 1 A 122 122 THR CB C 122 69.537 70.454 -0.917 1
1 1288 . 20 1 1 A 122 122 THR N N 122 114.163 119.654 -5.491 1
1 1289 . 20 1 1 A 123 123 ASP H H 123 8.197 9.035 -0.838 1
1 1290 . 20 1 1 A 123 123 ASP HA H 123 4.641 5.326 -0.685 1
1 1292 . 20 1 1 A 123 123 ASP C C 123 174.975 174.016 0.959 1
1 1293 . 20 1 1 A 123 123 ASP CA C 123 54.542 52.989 1.553 1
1 1294 . 20 1 1 A 123 123 ASP CB C 123 41.144 44.895 -3.751 1
1 1295 . 20 1 1 A 123 123 ASP N N 123 122.772 123.114 -0.342 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 113 1.018 1
2 1 1 1 "RMS(OBS, PRED)" CA 122 1.276 1
3 1 1 1 "RMS(OBS, PRED)" CB 112 1.399 1
4 1 1 1 "RMS(OBS, PRED)" H 115 0.479 1
5 1 1 1 "RMS(OBS, PRED)" HA 126 0.357 1
6 1 1 1 "RMS(OBS, PRED)" N 115 2.961 1
7 1 2 1 "RMS(OBS, PRED)" C 113 1.001 1
8 1 2 1 "RMS(OBS, PRED)" CA 122 1.164 1
9 1 2 1 "RMS(OBS, PRED)" CB 112 1.288 1
10 1 2 1 "RMS(OBS, PRED)" H 115 0.474 1
11 1 2 1 "RMS(OBS, PRED)" HA 126 0.355 1
12 1 2 1 "RMS(OBS, PRED)" N 115 2.879 1
13 1 3 1 "RMS(OBS, PRED)" C 113 1.121 1
14 1 3 1 "RMS(OBS, PRED)" CA 122 1.271 1
15 1 3 1 "RMS(OBS, PRED)" CB 112 1.267 1
16 1 3 1 "RMS(OBS, PRED)" H 115 0.464 1
17 1 3 1 "RMS(OBS, PRED)" HA 126 0.364 1
18 1 3 1 "RMS(OBS, PRED)" N 115 2.904 1
19 1 4 1 "RMS(OBS, PRED)" C 113 0.959 1
20 1 4 1 "RMS(OBS, PRED)" CA 122 1.144 1
21 1 4 1 "RMS(OBS, PRED)" CB 112 1.179 1
22 1 4 1 "RMS(OBS, PRED)" H 115 0.487 1
23 1 4 1 "RMS(OBS, PRED)" HA 126 0.348 1
24 1 4 1 "RMS(OBS, PRED)" N 115 3.245 1
25 1 5 1 "RMS(OBS, PRED)" C 113 0.955 1
26 1 5 1 "RMS(OBS, PRED)" CA 122 1.228 1
27 1 5 1 "RMS(OBS, PRED)" CB 112 1.341 1
28 1 5 1 "RMS(OBS, PRED)" H 115 0.438 1
29 1 5 1 "RMS(OBS, PRED)" HA 126 0.344 1
30 1 5 1 "RMS(OBS, PRED)" N 115 2.879 1
31 1 6 1 "RMS(OBS, PRED)" C 113 0.994 1
32 1 6 1 "RMS(OBS, PRED)" CA 122 1.140 1
33 1 6 1 "RMS(OBS, PRED)" CB 112 1.250 1
34 1 6 1 "RMS(OBS, PRED)" H 115 0.468 1
35 1 6 1 "RMS(OBS, PRED)" HA 126 0.348 1
36 1 6 1 "RMS(OBS, PRED)" N 115 3.207 1
37 1 7 1 "RMS(OBS, PRED)" C 113 1.016 1
38 1 7 1 "RMS(OBS, PRED)" CA 122 1.196 1
39 1 7 1 "RMS(OBS, PRED)" CB 112 1.431 1
40 1 7 1 "RMS(OBS, PRED)" H 115 0.491 1
41 1 7 1 "RMS(OBS, PRED)" HA 126 0.367 1
42 1 7 1 "RMS(OBS, PRED)" N 115 2.815 1
43 1 8 1 "RMS(OBS, PRED)" C 113 0.959 1
44 1 8 1 "RMS(OBS, PRED)" CA 122 1.140 1
45 1 8 1 "RMS(OBS, PRED)" CB 112 1.227 1
46 1 8 1 "RMS(OBS, PRED)" H 115 0.466 1
47 1 8 1 "RMS(OBS, PRED)" HA 126 0.343 1
48 1 8 1 "RMS(OBS, PRED)" N 115 2.749 1
49 1 9 1 "RMS(OBS, PRED)" C 113 1.081 1
50 1 9 1 "RMS(OBS, PRED)" CA 122 1.189 1
51 1 9 1 "RMS(OBS, PRED)" CB 112 1.293 1
52 1 9 1 "RMS(OBS, PRED)" H 115 0.471 1
53 1 9 1 "RMS(OBS, PRED)" HA 126 0.343 1
54 1 9 1 "RMS(OBS, PRED)" N 115 2.806 1
55 1 10 1 "RMS(OBS, PRED)" C 113 0.951 1
56 1 10 1 "RMS(OBS, PRED)" CA 122 1.197 1
57 1 10 1 "RMS(OBS, PRED)" CB 112 1.296 1
58 1 10 1 "RMS(OBS, PRED)" H 115 0.466 1
59 1 10 1 "RMS(OBS, PRED)" HA 126 0.361 1
60 1 10 1 "RMS(OBS, PRED)" N 115 2.819 1
61 1 11 1 "RMS(OBS, PRED)" C 113 1.015 1
62 1 11 1 "RMS(OBS, PRED)" CA 122 1.175 1
63 1 11 1 "RMS(OBS, PRED)" CB 112 1.299 1
64 1 11 1 "RMS(OBS, PRED)" H 115 0.528 1
65 1 11 1 "RMS(OBS, PRED)" HA 126 0.337 1
66 1 11 1 "RMS(OBS, PRED)" N 115 3.076 1
67 1 12 1 "RMS(OBS, PRED)" C 113 0.975 1
68 1 12 1 "RMS(OBS, PRED)" CA 122 1.161 1
69 1 12 1 "RMS(OBS, PRED)" CB 112 1.166 1
70 1 12 1 "RMS(OBS, PRED)" H 115 0.480 1
71 1 12 1 "RMS(OBS, PRED)" HA 126 0.355 1
72 1 12 1 "RMS(OBS, PRED)" N 115 3.061 1
73 1 13 1 "RMS(OBS, PRED)" C 113 1.134 1
74 1 13 1 "RMS(OBS, PRED)" CA 122 1.157 1
75 1 13 1 "RMS(OBS, PRED)" CB 112 1.418 1
76 1 13 1 "RMS(OBS, PRED)" H 115 0.539 1
77 1 13 1 "RMS(OBS, PRED)" HA 126 0.408 1
78 1 13 1 "RMS(OBS, PRED)" N 115 3.293 1
79 1 14 1 "RMS(OBS, PRED)" C 113 1.061 1
80 1 14 1 "RMS(OBS, PRED)" CA 122 1.199 1
81 1 14 1 "RMS(OBS, PRED)" CB 112 1.400 1
82 1 14 1 "RMS(OBS, PRED)" H 115 0.490 1
83 1 14 1 "RMS(OBS, PRED)" HA 126 0.367 1
84 1 14 1 "RMS(OBS, PRED)" N 115 3.048 1
85 1 15 1 "RMS(OBS, PRED)" C 113 0.973 1
86 1 15 1 "RMS(OBS, PRED)" CA 122 1.153 1
87 1 15 1 "RMS(OBS, PRED)" CB 112 1.252 1
88 1 15 1 "RMS(OBS, PRED)" H 115 0.473 1
89 1 15 1 "RMS(OBS, PRED)" HA 126 0.334 1
90 1 15 1 "RMS(OBS, PRED)" N 115 3.025 1
91 1 16 1 "RMS(OBS, PRED)" C 113 1.061 1
92 1 16 1 "RMS(OBS, PRED)" CA 122 1.221 1
93 1 16 1 "RMS(OBS, PRED)" CB 112 1.364 1
94 1 16 1 "RMS(OBS, PRED)" H 115 0.464 1
95 1 16 1 "RMS(OBS, PRED)" HA 126 0.360 1
96 1 16 1 "RMS(OBS, PRED)" N 115 3.392 1
97 1 17 1 "RMS(OBS, PRED)" C 113 1.076 1
98 1 17 1 "RMS(OBS, PRED)" CA 122 1.247 1
99 1 17 1 "RMS(OBS, PRED)" CB 112 1.310 1
100 1 17 1 "RMS(OBS, PRED)" H 115 0.461 1
101 1 17 1 "RMS(OBS, PRED)" HA 126 0.369 1
102 1 17 1 "RMS(OBS, PRED)" N 115 2.780 1
103 1 18 1 "RMS(OBS, PRED)" C 113 0.976 1
104 1 18 1 "RMS(OBS, PRED)" CA 122 1.191 1
105 1 18 1 "RMS(OBS, PRED)" CB 112 1.373 1
106 1 18 1 "RMS(OBS, PRED)" H 115 0.501 1
107 1 18 1 "RMS(OBS, PRED)" HA 126 0.315 1
108 1 18 1 "RMS(OBS, PRED)" N 115 3.036 1
109 1 19 1 "RMS(OBS, PRED)" C 113 0.954 1
110 1 19 1 "RMS(OBS, PRED)" CA 122 1.161 1
111 1 19 1 "RMS(OBS, PRED)" CB 112 1.215 1
112 1 19 1 "RMS(OBS, PRED)" H 115 0.499 1
113 1 19 1 "RMS(OBS, PRED)" HA 126 0.361 1
114 1 19 1 "RMS(OBS, PRED)" N 115 2.841 1
115 1 20 1 "RMS(OBS, PRED)" C 113 1.007 1
116 1 20 1 "RMS(OBS, PRED)" CA 122 1.160 1
117 1 20 1 "RMS(OBS, PRED)" CB 112 1.248 1
118 1 20 1 "RMS(OBS, PRED)" H 115 0.486 1
119 1 20 1 "RMS(OBS, PRED)" HA 126 0.334 1
120 1 20 1 "RMS(OBS, PRED)" N 115 3.040 1
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.Conformer_type "average"
_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.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 8 . 1 1 A 2 2 ILE H H 2 8.420 8.568 -0.148 2
1 9 . 1 1 A 2 2 ILE HA H 2 4.219 4.618 -0.399 2
1 11 . 1 1 A 2 2 ILE C C 2 175.424 174.930 0.494 2
1 12 . 1 1 A 2 2 ILE CA C 2 61.022 60.266 0.756 2
1 13 . 1 1 A 2 2 ILE CB C 2 38.918 38.831 0.087 2
1 14 . 1 1 A 2 2 ILE N N 2 120.314 120.184 0.130 2
1 15 . 1 1 A 3 3 ALA H H 3 8.374 8.659 -0.285 2
1 16 . 1 1 A 3 3 ALA CA C 3 50.509 49.469 1.040 2
1 17 . 1 1 A 3 3 ALA CB C 3 18.608 20.816 -2.208 2
1 18 . 1 1 A 3 3 ALA N N 3 129.874 128.387 1.487 2
1 19 . 1 1 A 4 4 PRO HA H 4 4.446 4.619 -0.173 2
1 22 . 1 1 A 4 4 PRO C C 4 176.949 176.372 0.577 2
1 23 . 1 1 A 4 4 PRO CA C 4 63.456 62.743 0.713 2
1 24 . 1 1 A 4 4 PRO CB C 4 32.203 31.740 0.463 2
1 25 . 1 1 A 5 5 CYS H H 5 8.347 8.516 -0.169 2
1 26 . 1 1 A 5 5 CYS HA H 5 4.492 4.758 -0.266 2
1 28 . 1 1 A 5 5 CYS C C 5 174.805 174.074 0.731 2
1 29 . 1 1 A 5 5 CYS CA C 5 58.495 58.623 -0.128 2
1 30 . 1 1 A 5 5 CYS CB C 5 27.957 28.565 -0.608 2
1 31 . 1 1 A 5 5 CYS N N 5 118.477 121.535 -3.058 2
1 32 . 1 1 A 6 6 MET H H 6 8.421 8.611 -0.190 2
1 33 . 1 1 A 6 6 MET HA H 6 4.534 4.765 -0.231 2
1 35 . 1 1 A 6 6 MET C C 6 176.132 175.128 1.004 2
1 36 . 1 1 A 6 6 MET CA C 6 55.629 54.996 0.633 2
1 37 . 1 1 A 6 6 MET CB C 6 33.048 33.570 -0.522 2
1 38 . 1 1 A 6 6 MET N N 6 122.952 123.100 -0.148 2
1 39 . 1 1 A 7 7 GLN H H 7 8.313 8.551 -0.238 2
1 40 . 1 1 A 7 7 GLN HA H 7 4.435 4.713 -0.278 2
1 42 . 1 1 A 7 7 GLN C C 7 176.128 174.974 1.154 2
1 43 . 1 1 A 7 7 GLN CA C 7 56.109 55.299 0.810 2
1 44 . 1 1 A 7 7 GLN CB C 7 29.591 29.808 -0.217 2
1 45 . 1 1 A 7 7 GLN N N 7 121.379 120.957 0.422 2
1 46 . 1 1 A 8 8 THR H H 8 8.195 8.509 -0.314 2
1 47 . 1 1 A 8 8 THR HA H 8 4.406 4.661 -0.255 2
1 49 . 1 1 A 8 8 THR C C 8 174.739 173.614 1.125 2
1 50 . 1 1 A 8 8 THR CA C 8 61.856 61.470 0.386 2
1 51 . 1 1 A 8 8 THR CB C 8 69.854 69.732 0.122 2
1 52 . 1 1 A 8 8 THR N N 8 115.096 116.923 -1.827 2
1 53 . 1 1 A 9 9 THR H H 9 8.081 8.558 -0.477 2
1 54 . 1 1 A 9 9 THR HA H 9 4.335 4.655 -0.320 2
1 56 . 1 1 A 9 9 THR C C 9 174.407 173.819 0.588 2
1 57 . 1 1 A 9 9 THR CA C 9 61.896 61.586 0.310 2
1 58 . 1 1 A 9 9 THR CB C 9 69.811 69.679 0.132 2
1 59 . 1 1 A 9 9 THR N N 9 115.837 118.646 -2.809 2
1 60 . 1 1 A 10 10 HIS H H 10 8.477 8.675 -0.198 2
1 61 . 1 1 A 10 10 HIS HA H 10 4.788 4.941 -0.153 2
1 64 . 1 1 A 10 10 HIS C C 10 174.571 174.382 0.189 2
1 65 . 1 1 A 10 10 HIS CA C 10 55.477 55.296 0.181 2
1 66 . 1 1 A 10 10 HIS CB C 10 29.291 30.962 -1.671 2
1 67 . 1 1 A 10 10 HIS N N 10 120.606 122.869 -2.263 2
1 68 . 1 1 A 11 11 SER H H 11 8.306 8.633 -0.327 2
1 69 . 1 1 A 11 11 SER HA H 11 4.448 4.548 -0.100 2
1 71 . 1 1 A 11 11 SER C C 11 174.512 173.814 0.698 2
1 72 . 1 1 A 11 11 SER CA C 11 58.557 58.046 0.511 2
1 73 . 1 1 A 11 11 SER CB C 11 63.943 63.764 0.179 2
1 74 . 1 1 A 11 11 SER N N 11 117.043 117.696 -0.653 2
1 75 . 1 1 A 12 12 LYS H H 12 8.402 8.347 0.055 2
1 76 . 1 1 A 12 12 LYS HA H 12 4.359 4.576 -0.217 2
1 79 . 1 1 A 12 12 LYS C C 12 176.592 175.450 1.142 2
1 80 . 1 1 A 12 12 LYS CA C 12 56.634 55.969 0.665 2
1 81 . 1 1 A 12 12 LYS CB C 12 33.127 33.526 -0.399 2
1 82 . 1 1 A 12 12 LYS N N 12 123.023 122.840 0.183 2
1 83 . 1 1 A 13 13 MET H H 13 8.343 8.502 -0.159 2
1 84 . 1 1 A 13 13 MET HA H 13 4.530 4.754 -0.224 2
1 88 . 1 1 A 13 13 MET C C 13 176.373 175.286 1.087 2
1 89 . 1 1 A 13 13 MET CA C 13 55.680 54.920 0.759 2
1 90 . 1 1 A 13 13 MET CB C 13 32.925 33.581 -0.656 2
1 91 . 1 1 A 13 13 MET N N 13 121.294 121.135 0.159 2
1 92 . 1 1 A 14 14 THR H H 14 8.068 8.368 -0.300 2
1 93 . 1 1 A 14 14 THR HA H 14 4.333 4.552 -0.219 2
1 97 . 1 1 A 14 14 THR C C 14 174.246 173.857 0.389 2
1 98 . 1 1 A 14 14 THR CA C 14 61.770 62.405 -0.635 2
1 99 . 1 1 A 14 14 THR CB C 14 69.894 69.944 -0.050 2
1 100 . 1 1 A 14 14 THR N N 14 115.254 116.721 -1.467 2
1 101 . 1 1 A 15 15 ALA H H 15 8.289 8.437 -0.148 2
1 102 . 1 1 A 15 15 ALA HA H 15 4.344 4.525 -0.181 2
1 106 . 1 1 A 15 15 ALA C C 15 178.080 176.959 1.121 2
1 107 . 1 1 A 15 15 ALA CA C 15 52.779 52.163 0.616 2
1 108 . 1 1 A 15 15 ALA CB C 15 19.286 20.122 -0.836 2
1 109 . 1 1 A 15 15 ALA N N 15 126.372 126.221 0.152 2
1 110 . 1 1 A 16 16 GLY H H 16 8.291 8.259 0.032 2
1 111 . 1 1 A 16 16 GLY HA2 H 16 3.913 4.081 -0.168 2
1 112 . 1 1 A 16 16 GLY C C 16 173.788 173.184 0.604 2
1 113 . 1 1 A 16 16 GLY CA C 16 45.298 45.715 -0.417 2
1 114 . 1 1 A 16 16 GLY N N 16 108.095 107.019 1.076 2
1 115 . 1 1 A 17 17 ALA H H 17 8.000 8.294 -0.294 2
1 116 . 1 1 A 17 17 ALA HA H 17 4.292 4.649 -0.356 2
1 120 . 1 1 A 17 17 ALA C C 17 177.366 176.124 1.242 2
1 121 . 1 1 A 17 17 ALA CA C 17 52.518 51.502 1.016 2
1 122 . 1 1 A 17 17 ALA CB C 17 19.577 20.506 -0.930 2
1 123 . 1 1 A 17 17 ALA N N 17 123.370 123.733 -0.363 2
1 124 . 1 1 A 18 18 TYR H H 18 8.135 8.522 -0.387 2
1 125 . 1 1 A 18 18 TYR HA H 18 4.640 4.797 -0.157 2
1 129 . 1 1 A 18 18 TYR C C 18 176.031 174.773 1.258 2
1 130 . 1 1 A 18 18 TYR CA C 18 57.973 57.931 0.042 2
1 131 . 1 1 A 18 18 TYR CB C 18 38.661 39.864 -1.202 2
1 132 . 1 1 A 18 18 TYR N N 18 119.212 119.526 -0.314 2
1 133 . 1 1 A 19 19 THR H H 19 7.912 8.195 -0.283 2
1 134 . 1 1 A 19 19 THR HA H 19 4.267 4.599 -0.332 2
1 139 . 1 1 A 19 19 THR C C 19 173.995 174.060 -0.065 2
1 140 . 1 1 A 19 19 THR CA C 19 61.848 61.597 0.251 2
1 141 . 1 1 A 19 19 THR CB C 19 69.756 70.109 -0.353 2
1 142 . 1 1 A 19 19 THR N N 19 115.764 115.725 0.039 2
1 143 . 1 1 A 20 20 GLU H H 20 8.077 8.604 -0.527 2
1 144 . 1 1 A 20 20 GLU HA H 20 4.301 4.407 -0.106 2
1 148 . 1 1 A 20 20 GLU C C 20 176.128 176.646 -0.518 2
1 149 . 1 1 A 20 20 GLU CA C 20 56.312 56.808 -0.496 2
1 150 . 1 1 A 20 20 GLU CB C 20 30.423 30.504 -0.081 2
1 152 . 1 1 A 20 20 GLU N N 20 122.553 123.237 -0.684 2
1 153 . 1 1 A 21 21 GLY H H 21 7.966 8.183 -0.217 2
1 154 . 1 1 A 21 21 GLY HA2 H 21 3.903 4.004 -0.101 2
1 155 . 1 1 A 21 21 GLY CA C 21 44.257 45.295 -1.038 2
1 156 . 1 1 A 21 21 GLY N N 21 109.544 108.795 0.749 2
1 157 . 1 1 A 22 22 PRO HA H 22 4.232 4.343 -0.111 2
1 164 . 1 1 A 22 22 PRO CA C 22 61.109 65.133 -4.024 2
1 165 . 1 1 A 22 22 PRO CB C 22 30.711 31.617 -0.906 2
1 168 . 1 1 A 23 23 PRO HA H 23 4.363 4.553 -0.190 2
1 174 . 1 1 A 23 23 PRO C C 23 176.567 176.644 -0.077 2
1 175 . 1 1 A 23 23 PRO CA C 23 62.733 62.798 -0.065 2
1 176 . 1 1 A 23 23 PRO CB C 23 32.048 32.151 -0.103 2
1 179 . 1 1 A 24 24 GLN H H 24 8.286 8.403 -0.117 2
1 180 . 1 1 A 24 24 GLN HA H 24 4.479 4.604 -0.125 2
1 186 . 1 1 A 24 24 GLN CA C 24 53.763 53.687 0.076 2
1 187 . 1 1 A 24 24 GLN CB C 24 28.800 28.822 -0.022 2
1 189 . 1 1 A 24 24 GLN N N 24 121.215 120.699 0.516 2
1 191 . 1 1 A 25 25 PRO HA H 25 4.389 4.723 -0.334 2
1 198 . 1 1 A 25 25 PRO C C 25 176.707 176.558 0.149 2
1 199 . 1 1 A 25 25 PRO CA C 25 62.867 62.747 0.120 2
1 200 . 1 1 A 25 25 PRO CB C 25 32.174 31.749 0.425 2
1 203 . 1 1 A 26 26 LEU H H 26 8.244 8.259 -0.015 2
1 204 . 1 1 A 26 26 LEU HA H 26 4.405 4.625 -0.221 2
1 214 . 1 1 A 26 26 LEU C C 26 177.517 175.985 1.532 2
1 215 . 1 1 A 26 26 LEU CA C 26 54.643 53.632 1.011 2
1 216 . 1 1 A 26 26 LEU CB C 26 43.618 44.267 -0.649 2
1 220 . 1 1 A 26 26 LEU N N 26 122.745 120.346 2.399 2
1 221 . 1 1 A 27 27 SER H H 27 8.758 8.561 0.197 2
1 222 . 1 1 A 27 27 SER HA H 27 4.474 4.591 -0.117 2
1 225 . 1 1 A 27 27 SER C C 27 174.789 175.557 -0.768 2
1 226 . 1 1 A 27 27 SER CA C 27 57.461 58.354 -0.893 2
1 227 . 1 1 A 27 27 SER CB C 27 65.280 63.924 1.356 2
1 228 . 1 1 A 27 27 SER N N 27 117.967 116.503 1.464 2
1 229 . 1 1 A 28 28 ALA H H 28 8.841 8.989 -0.148 2
1 230 . 1 1 A 28 28 ALA HA H 28 4.037 3.971 0.066 2
1 234 . 1 1 A 28 28 ALA CA C 28 55.346 55.423 -0.077 2
1 235 . 1 1 A 28 28 ALA CB C 28 18.347 18.204 0.143 2
1 236 . 1 1 A 28 28 ALA N N 28 124.144 128.729 -4.585 2
1 237 . 1 1 A 29 29 GLU H H 29 8.565 7.981 0.584 2
1 238 . 1 1 A 29 29 GLU HA H 29 4.026 4.040 -0.014 2
1 242 . 1 1 A 29 29 GLU C C 29 178.877 179.406 -0.529 2
1 243 . 1 1 A 29 29 GLU CA C 29 59.430 59.390 0.040 2
1 244 . 1 1 A 29 29 GLU CB C 29 29.244 29.150 0.094 2
1 246 . 1 1 A 29 29 GLU N N 29 117.527 117.966 -0.439 2
1 247 . 1 1 A 30 30 GLU H H 30 7.823 8.233 -0.410 2
1 248 . 1 1 A 30 30 GLU HA H 30 4.054 4.069 -0.015 2
1 253 . 1 1 A 30 30 GLU C C 30 179.191 179.208 -0.017 2
1 254 . 1 1 A 30 30 GLU CA C 30 59.037 59.121 -0.085 2
1 255 . 1 1 A 30 30 GLU CB C 30 30.102 29.262 0.840 2
1 257 . 1 1 A 30 30 GLU N N 30 120.773 120.784 -0.011 2
1 258 . 1 1 A 31 31 LYS H H 31 8.246 7.579 0.667 2
1 259 . 1 1 A 31 31 LYS HA H 31 3.844 4.106 -0.262 2
1 266 . 1 1 A 31 31 LYS C C 31 177.968 179.528 -1.560 2
1 267 . 1 1 A 31 31 LYS CA C 31 59.889 59.472 0.417 2
1 268 . 1 1 A 31 31 LYS CB C 31 32.350 32.225 0.125 2
1 272 . 1 1 A 31 31 LYS N N 31 119.315 119.861 -0.546 2
1 273 . 1 1 A 32 32 LYS H H 32 7.698 7.766 -0.068 2
1 274 . 1 1 A 32 32 LYS HA H 32 4.043 4.010 0.033 2
1 282 . 1 1 A 32 32 LYS C C 32 178.848 179.538 -0.690 2
1 283 . 1 1 A 32 32 LYS CA C 32 59.479 59.867 -0.388 2
1 284 . 1 1 A 32 32 LYS CB C 32 32.459 32.106 0.353 2
1 288 . 1 1 A 32 32 LYS N N 32 118.195 119.728 -1.533 2
1 289 . 1 1 A 33 33 GLU H H 33 7.512 7.869 -0.357 2
1 290 . 1 1 A 33 33 GLU HA H 33 4.031 4.097 -0.066 2
1 295 . 1 1 A 33 33 GLU C C 33 178.989 179.556 -0.567 2
1 296 . 1 1 A 33 33 GLU CA C 33 59.157 58.985 0.172 2
1 297 . 1 1 A 33 33 GLU CB C 33 29.220 29.720 -0.500 2
1 299 . 1 1 A 33 33 GLU N N 33 118.459 119.867 -1.408 2
1 300 . 1 1 A 34 34 ILE H H 34 7.912 7.779 0.133 2
1 301 . 1 1 A 34 34 ILE HA H 34 3.503 3.843 -0.340 2
1 311 . 1 1 A 34 34 ILE C C 34 180.639 177.747 2.892 2
1 312 . 1 1 A 34 34 ILE CA C 34 65.305 64.056 1.249 2
1 313 . 1 1 A 34 34 ILE CB C 34 38.540 37.439 1.101 2
1 317 . 1 1 A 34 34 ILE N N 34 120.176 117.976 2.200 2
1 318 . 1 1 A 35 35 ASP H H 35 8.457 8.367 0.090 2
1 319 . 1 1 A 35 35 ASP HA H 35 4.145 4.402 -0.257 2
1 322 . 1 1 A 35 35 ASP C C 35 178.790 178.686 0.104 2
1 323 . 1 1 A 35 35 ASP CA C 35 58.322 57.415 0.907 2
1 324 . 1 1 A 35 35 ASP CB C 35 39.538 40.624 -1.087 2
1 325 . 1 1 A 35 35 ASP N N 35 123.589 121.775 1.814 2
1 326 . 1 1 A 36 36 LYS H H 36 7.573 7.856 -0.283 2
1 327 . 1 1 A 36 36 LYS HA H 36 4.187 4.147 0.040 2
1 334 . 1 1 A 36 36 LYS C C 36 176.400 178.012 -1.611 2
1 335 . 1 1 A 36 36 LYS CA C 36 58.656 58.999 -0.343 2
1 336 . 1 1 A 36 36 LYS CB C 36 32.991 32.246 0.745 2
1 340 . 1 1 A 36 36 LYS N N 36 117.506 119.233 -1.727 2
1 341 . 1 1 A 37 37 ARG H H 37 7.397 7.568 -0.171 2
1 342 . 1 1 A 37 37 ARG HA H 37 4.658 4.570 0.088 2
1 348 . 1 1 A 37 37 ARG C C 37 174.361 175.589 -1.228 2
1 349 . 1 1 A 37 37 ARG CA C 37 55.793 55.645 0.148 2
1 350 . 1 1 A 37 37 ARG CB C 37 31.260 30.652 0.608 2
1 353 . 1 1 A 37 37 ARG N N 37 115.182 116.614 -1.432 2
1 354 . 1 1 A 38 38 SER H H 38 7.416 7.562 -0.146 2
1 355 . 1 1 A 38 38 SER HA H 38 6.346 5.121 1.225 2
1 358 . 1 1 A 38 38 SER C C 38 173.807 173.587 0.220 2
1 359 . 1 1 A 38 38 SER CA C 38 57.574 56.910 0.664 2
1 360 . 1 1 A 38 38 SER CB C 38 67.003 65.623 1.380 2
1 361 . 1 1 A 38 38 SER N N 38 112.872 116.200 -3.328 2
1 362 . 1 1 A 39 39 VAL H H 39 8.812 8.902 -0.090 2
1 363 . 1 1 A 39 39 VAL HA H 39 5.117 5.191 -0.074 2
1 371 . 1 1 A 39 39 VAL C C 39 174.519 173.304 1.215 2
1 372 . 1 1 A 39 39 VAL CA C 39 59.085 59.270 -0.185 2
1 373 . 1 1 A 39 39 VAL CB C 39 34.476 35.784 -1.308 2
1 376 . 1 1 A 39 39 VAL N N 39 111.961 118.367 -6.406 2
1 377 . 1 1 A 40 40 TYR H H 40 9.366 9.459 -0.093 2
1 378 . 1 1 A 40 40 TYR HA H 40 5.108 5.019 0.089 2
1 385 . 1 1 A 40 40 TYR C C 40 172.976 173.775 -0.799 2
1 386 . 1 1 A 40 40 TYR CA C 40 56.633 55.761 0.872 2
1 387 . 1 1 A 40 40 TYR CB C 40 41.058 41.195 -0.137 2
1 390 . 1 1 A 40 40 TYR N N 40 123.743 125.057 -1.314 2
1 391 . 1 1 A 41 41 VAL H H 41 8.734 9.113 -0.379 2
1 392 . 1 1 A 41 41 VAL HA H 41 4.876 4.706 0.170 2
1 400 . 1 1 A 41 41 VAL C C 41 174.651 174.922 -0.271 2
1 401 . 1 1 A 41 41 VAL CA C 41 59.798 60.626 -0.828 2
1 402 . 1 1 A 41 41 VAL CB C 41 33.329 32.883 0.446 2
1 405 . 1 1 A 41 41 VAL N N 41 127.436 127.248 0.188 2
1 406 . 1 1 A 42 42 GLY H H 42 9.669 8.675 0.994 2
1 407 . 1 1 A 42 42 GLY HA2 H 42 3.612 3.958 -0.346 2
1 408 . 1 1 A 42 42 GLY HA3 H 42 4.392 4.036 0.356 2
1 409 . 1 1 A 42 42 GLY C C 42 173.639 174.278 -0.639 2
1 410 . 1 1 A 42 42 GLY CA C 42 44.169 43.603 0.566 2
1 411 . 1 1 A 42 42 GLY N N 42 113.263 114.937 -1.674 2
1 412 . 1 1 A 43 43 ASN H H 43 8.412 8.976 -0.564 2
1 413 . 1 1 A 43 43 ASN HA H 43 4.510 4.499 0.011 2
1 418 . 1 1 A 43 43 ASN C C 43 174.364 175.040 -0.676 2
1 419 . 1 1 A 43 43 ASN CA C 43 53.557 54.174 -0.617 2
1 420 . 1 1 A 43 43 ASN CB C 43 37.283 38.162 -0.879 2
1 421 . 1 1 A 43 43 ASN N N 43 115.451 119.199 -3.748 2
1 423 . 1 1 A 44 44 VAL H H 44 7.083 7.636 -0.553 2
1 424 . 1 1 A 44 44 VAL HA H 44 3.975 4.266 -0.291 2
1 432 . 1 1 A 44 44 VAL C C 44 175.885 174.576 1.309 2
1 433 . 1 1 A 44 44 VAL CA C 44 61.614 61.954 -0.340 2
1 434 . 1 1 A 44 44 VAL CB C 44 32.914 32.811 0.103 2
1 437 . 1 1 A 44 44 VAL N N 44 115.399 119.854 -4.455 2
1 438 . 1 1 A 45 45 ASP H H 45 8.305 8.605 -0.300 2
1 439 . 1 1 A 45 45 ASP HA H 45 4.467 4.891 -0.424 2
1 442 . 1 1 A 45 45 ASP C C 45 177.205 176.358 0.847 2
1 443 . 1 1 A 45 45 ASP CA C 45 54.613 53.803 0.810 2
1 444 . 1 1 A 45 45 ASP CB C 45 43.657 42.365 1.291 2
1 445 . 1 1 A 45 45 ASP N N 45 124.440 127.822 -3.382 2
1 446 . 1 1 A 46 46 TYR H H 46 8.715 8.918 -0.203 2
1 447 . 1 1 A 46 46 TYR HA H 46 4.483 4.229 0.254 2
1 454 . 1 1 A 46 46 TYR C C 46 175.453 177.171 -1.718 2
1 455 . 1 1 A 46 46 TYR CA C 46 59.464 60.236 -0.772 2
1 456 . 1 1 A 46 46 TYR CB C 46 38.753 38.119 0.634 2
1 458 . 1 1 A 46 46 TYR N N 46 125.588 123.706 1.882 2
1 459 . 1 1 A 47 47 GLY H H 47 8.387 8.665 -0.278 2
1 460 . 1 1 A 47 47 GLY HA2 H 47 3.561 4.023 -0.462 2
1 461 . 1 1 A 47 47 GLY HA3 H 47 4.348 4.046 0.302 2
1 462 . 1 1 A 47 47 GLY C C 47 173.578 174.385 -0.807 2
1 463 . 1 1 A 47 47 GLY CA C 47 44.965 45.805 -0.840 2
1 464 . 1 1 A 47 47 GLY N N 47 106.974 109.603 -2.629 2
1 465 . 1 1 A 48 48 SER H H 48 7.417 7.908 -0.491 2
1 466 . 1 1 A 48 48 SER HA H 48 4.428 4.703 -0.275 2
1 468 . 1 1 A 48 48 SER C C 48 173.220 174.361 -1.141 2
1 469 . 1 1 A 48 48 SER CA C 48 59.892 58.730 1.162 2
1 470 . 1 1 A 48 48 SER CB C 48 64.519 64.257 0.262 2
1 471 . 1 1 A 48 48 SER N N 48 115.423 116.717 -1.294 2
1 472 . 1 1 A 49 49 THR H H 49 8.474 8.698 -0.224 2
1 473 . 1 1 A 49 49 THR HA H 49 4.660 4.798 -0.138 2
1 478 . 1 1 A 49 49 THR C C 49 175.940 175.822 0.118 2
1 479 . 1 1 A 49 49 THR CA C 49 58.831 60.054 -1.223 2
1 480 . 1 1 A 49 49 THR CB C 49 72.585 71.996 0.589 2
1 482 . 1 1 A 49 49 THR N N 49 112.103 115.673 -3.570 2
1 483 . 1 1 A 50 50 ALA H H 50 9.723 9.031 0.692 2
1 484 . 1 1 A 50 50 ALA HA H 50 3.923 4.019 -0.096 2
1 488 . 1 1 A 50 50 ALA C C 50 179.045 179.787 -0.742 2
1 489 . 1 1 A 50 50 ALA CA C 50 55.643 55.428 0.215 2
1 490 . 1 1 A 50 50 ALA CB C 50 18.259 18.062 0.197 2
1 491 . 1 1 A 50 50 ALA N N 50 123.988 124.130 -0.142 2
1 492 . 1 1 A 51 51 GLN H H 51 7.730 8.186 -0.456 2
1 493 . 1 1 A 51 51 GLN HA H 51 3.940 4.049 -0.109 2
1 500 . 1 1 A 51 51 GLN C C 51 178.215 178.077 0.138 2
1 501 . 1 1 A 51 51 GLN CA C 51 59.096 58.857 0.239 2
1 502 . 1 1 A 51 51 GLN CB C 51 28.508 28.327 0.181 2
1 504 . 1 1 A 51 51 GLN N N 51 116.375 117.672 -1.297 2
1 505 . 1 1 A 52 52 ASP H H 52 8.273 7.973 0.300 2
1 506 . 1 1 A 52 52 ASP HA H 52 4.587 4.497 0.090 2
1 507 . 1 1 A 52 52 ASP C C 52 179.837 178.902 0.935 2
1 508 . 1 1 A 52 52 ASP CA C 52 57.556 57.391 0.165 2
1 509 . 1 1 A 52 52 ASP CB C 52 41.057 41.064 -0.007 2
1 510 . 1 1 A 52 52 ASP N N 52 120.755 119.826 0.929 2
1 511 . 1 1 A 53 53 LEU H H 53 7.855 8.217 -0.362 2
1 512 . 1 1 A 53 53 LEU HA H 53 3.933 4.102 -0.169 2
1 522 . 1 1 A 53 53 LEU C C 53 178.463 179.105 -0.642 2
1 523 . 1 1 A 53 53 LEU CA C 53 58.367 58.118 0.249 2
1 524 . 1 1 A 53 53 LEU CB C 53 42.646 41.216 1.430 2
1 528 . 1 1 A 53 53 LEU N N 53 122.035 120.474 1.561 2
1 529 . 1 1 A 54 54 GLU H H 54 8.804 8.894 -0.090 2
1 530 . 1 1 A 54 54 GLU HA H 54 3.745 4.047 -0.302 2
1 534 . 1 1 A 54 54 GLU C C 54 178.467 178.648 -0.181 2
1 535 . 1 1 A 54 54 GLU CA C 54 59.833 59.540 0.293 2
1 536 . 1 1 A 54 54 GLU CB C 54 29.238 29.532 -0.294 2
1 538 . 1 1 A 54 54 GLU N N 54 120.472 119.191 1.281 2
1 539 . 1 1 A 55 55 ALA H H 55 8.098 8.023 0.075 2
1 540 . 1 1 A 55 55 ALA HA H 55 4.249 4.212 0.037 2
1 544 . 1 1 A 55 55 ALA C C 55 180.711 179.919 0.792 2
1 545 . 1 1 A 55 55 ALA CA C 55 55.077 55.030 0.047 2
1 546 . 1 1 A 55 55 ALA CB C 55 18.164 18.468 -0.304 2
1 547 . 1 1 A 55 55 ALA N N 55 119.302 122.374 -3.072 2
1 548 . 1 1 A 56 56 HIS H H 56 7.927 7.698 0.229 2
1 549 . 1 1 A 56 56 HIS HA H 56 4.281 4.276 0.005 2
1 553 . 1 1 A 56 56 HIS C C 56 176.342 177.087 -0.745 2
1 554 . 1 1 A 56 56 HIS CA C 56 59.362 59.274 0.088 2
1 555 . 1 1 A 56 56 HIS CB C 56 31.200 29.649 1.551 2
1 556 . 1 1 A 56 56 HIS N N 56 117.016 118.124 -1.108 2
1 557 . 1 1 A 57 57 PHE H H 57 7.811 8.130 -0.319 2
1 558 . 1 1 A 57 57 PHE HA H 57 4.554 4.402 0.152 2
1 565 . 1 1 A 57 57 PHE C C 57 177.301 178.040 -0.739 2
1 566 . 1 1 A 57 57 PHE CA C 57 59.480 61.766 -2.286 2
1 567 . 1 1 A 57 57 PHE CB C 57 40.432 38.895 1.538 2
1 571 . 1 1 A 57 57 PHE N N 57 111.423 115.759 -4.336 2
1 572 . 1 1 A 58 58 SER H H 58 8.126 8.472 -0.346 2
1 573 . 1 1 A 58 58 SER HA H 58 4.468 4.593 -0.125 2
1 575 . 1 1 A 58 58 SER C C 58 176.676 176.938 -0.262 2
1 576 . 1 1 A 58 58 SER CA C 58 62.159 61.514 0.645 2
1 577 . 1 1 A 58 58 SER N N 58 118.439 116.546 1.893 2
1 578 . 1 1 A 59 59 SER H H 59 8.422 7.693 0.729 2
1 579 . 1 1 A 59 59 SER HA H 59 4.291 4.267 0.024 2
1 581 . 1 1 A 59 59 SER C C 59 175.955 175.226 0.729 2
1 582 . 1 1 A 59 59 SER CA C 59 60.277 61.318 -1.041 2
1 583 . 1 1 A 59 59 SER CB C 59 62.444 63.012 -0.568 2
1 584 . 1 1 A 59 59 SER N N 59 116.618 116.995 -0.377 2
1 585 . 1 1 A 60 60 CYS H H 60 8.226 7.945 0.281 2
1 586 . 1 1 A 60 60 CYS HA H 60 4.067 4.487 -0.420 2
1 589 . 1 1 A 60 60 CYS C C 60 174.682 174.346 0.336 2
1 590 . 1 1 A 60 60 CYS CA C 60 60.683 59.633 1.050 2
1 591 . 1 1 A 60 60 CYS CB C 60 28.894 28.467 0.427 2
1 592 . 1 1 A 60 60 CYS N N 60 118.900 117.492 1.408 2
1 593 . 1 1 A 61 61 GLY H H 61 7.414 7.324 0.090 2
1 594 . 1 1 A 61 61 GLY HA2 H 61 3.887 4.061 -0.174 2
1 595 . 1 1 A 61 61 GLY HA3 H 61 4.489 4.113 0.376 2
1 596 . 1 1 A 61 61 GLY C C 61 171.619 172.503 -0.884 2
1 597 . 1 1 A 61 61 GLY CA C 61 44.000 45.014 -1.014 2
1 598 . 1 1 A 61 61 GLY N N 61 106.320 108.700 -2.380 2
1 599 . 1 1 A 62 62 SER H H 62 8.182 8.502 -0.320 2
1 600 . 1 1 A 62 62 SER HA H 62 4.420 5.163 -0.743 2
1 603 . 1 1 A 62 62 SER C C 62 175.295 174.124 1.171 2
1 604 . 1 1 A 62 62 SER CA C 62 59.839 58.340 1.499 2
1 605 . 1 1 A 62 62 SER CB C 62 63.617 64.194 -0.577 2
1 606 . 1 1 A 62 62 SER N N 62 112.485 116.622 -4.137 2
1 607 . 1 1 A 63 63 ILE H H 63 8.857 8.945 -0.088 2
1 608 . 1 1 A 63 63 ILE HA H 63 4.007 4.103 -0.096 2
1 618 . 1 1 A 63 63 ILE C C 63 175.045 175.815 -0.770 2
1 619 . 1 1 A 63 63 ILE CA C 63 61.979 61.634 0.345 2
1 620 . 1 1 A 63 63 ILE CB C 63 41.048 37.795 3.253 2
1 624 . 1 1 A 63 63 ILE N N 63 127.966 125.980 1.986 2
1 625 . 1 1 A 64 64 ASN H H 64 8.897 9.249 -0.352 2
1 626 . 1 1 A 64 64 ASN HA H 64 4.667 4.854 -0.187 2
1 631 . 1 1 A 64 64 ASN C C 64 174.686 175.062 -0.376 2
1 632 . 1 1 A 64 64 ASN CA C 64 53.627 54.853 -1.226 2
1 633 . 1 1 A 64 64 ASN CB C 64 40.062 40.329 -0.267 2
1 634 . 1 1 A 64 64 ASN N N 64 124.997 125.749 -0.752 2
1 636 . 1 1 A 65 65 ARG H H 65 7.419 7.479 -0.060 2
1 637 . 1 1 A 65 65 ARG HA H 65 5.155 4.879 0.276 2
1 645 . 1 1 A 65 65 ARG C C 65 173.788 174.198 -0.410 2
1 646 . 1 1 A 65 65 ARG CA C 65 55.703 54.849 0.854 2
1 647 . 1 1 A 65 65 ARG CB C 65 35.408 34.983 0.425 2
1 650 . 1 1 A 65 65 ARG N N 65 116.737 116.333 0.404 2
1 652 . 1 1 A 66 66 ILE H H 66 8.681 8.652 0.029 2
1 653 . 1 1 A 66 66 ILE HA H 66 4.574 5.119 -0.545 2
1 663 . 1 1 A 66 66 ILE C C 66 173.717 174.239 -0.522 2
1 664 . 1 1 A 66 66 ILE CA C 66 61.049 59.234 1.815 2
1 665 . 1 1 A 66 66 ILE CB C 66 42.988 42.120 0.868 2
1 669 . 1 1 A 66 66 ILE N N 66 123.359 118.196 5.163 2
1 670 . 1 1 A 67 67 THR H H 67 8.861 8.909 -0.048 2
1 671 . 1 1 A 67 67 THR HA H 67 5.378 5.124 0.254 2
1 676 . 1 1 A 67 67 THR C C 67 173.526 173.478 0.048 2
1 677 . 1 1 A 67 67 THR CA C 67 61.112 61.637 -0.525 2
1 678 . 1 1 A 67 67 THR CB C 67 70.857 70.671 0.186 2
1 680 . 1 1 A 67 67 THR N N 67 124.375 119.367 5.008 2
1 681 . 1 1 A 68 68 ILE H H 68 9.768 9.116 0.652 2
1 682 . 1 1 A 68 68 ILE HA H 68 4.333 4.743 -0.410 2
1 692 . 1 1 A 68 68 ILE C C 68 173.743 174.914 -1.171 2
1 693 . 1 1 A 68 68 ILE CA C 68 61.237 59.977 1.260 2
1 694 . 1 1 A 68 68 ILE CB C 68 40.908 40.409 0.499 2
1 698 . 1 1 A 68 68 ILE N N 68 127.340 127.923 -0.583 2
1 699 . 1 1 A 69 69 LEU H H 69 9.045 9.227 -0.182 2
1 700 . 1 1 A 69 69 LEU HA H 69 5.074 5.078 -0.004 2
1 710 . 1 1 A 69 69 LEU C C 69 175.502 175.193 0.309 2
1 711 . 1 1 A 69 69 LEU CA C 69 55.186 52.971 2.215 2
1 712 . 1 1 A 69 69 LEU CB C 69 42.702 44.559 -1.857 2
1 716 . 1 1 A 69 69 LEU N N 69 128.686 125.339 3.347 2
1 717 . 1 1 A 70 70 CYS H H 70 8.767 8.859 -0.092 2
1 718 . 1 1 A 70 70 CYS HA H 70 5.237 5.665 -0.428 2
1 720 . 1 1 A 70 70 CYS C C 70 173.558 173.066 0.492 2
1 721 . 1 1 A 70 70 CYS CA C 70 57.609 56.709 0.900 2
1 722 . 1 1 A 70 70 CYS CB C 70 29.830 29.314 0.516 2
1 723 . 1 1 A 70 70 CYS N N 70 120.856 121.430 -0.574 2
1 724 . 1 1 A 71 71 ASP H H 71 9.109 9.038 0.071 2
1 725 . 1 1 A 71 71 ASP HA H 71 5.193 5.436 -0.243 2
1 728 . 1 1 A 71 71 ASP C C 71 175.440 175.842 -0.402 2
1 729 . 1 1 A 71 71 ASP CA C 71 53.705 52.436 1.269 2
1 730 . 1 1 A 71 71 ASP CB C 71 44.774 43.561 1.213 2
1 731 . 1 1 A 71 71 ASP N N 71 124.936 124.201 0.735 2
1 732 . 1 1 A 72 72 LYS H H 72 8.262 8.774 -0.512 2
1 733 . 1 1 A 72 72 LYS HA H 72 4.553 4.622 -0.069 2
1 740 . 1 1 A 72 72 LYS C C 72 177.732 177.212 0.520 2
1 741 . 1 1 A 72 72 LYS CA C 72 55.608 55.958 -0.350 2
1 742 . 1 1 A 72 72 LYS CB C 72 32.469 32.955 -0.486 2
1 745 . 1 1 A 72 72 LYS N N 72 120.339 123.255 -2.916 2
1 746 . 1 1 A 73 73 PHE H H 73 8.663 8.122 0.541 2
1 747 . 1 1 A 73 73 PHE HA H 73 4.357 4.371 -0.014 2
1 752 . 1 1 A 73 73 PHE C C 73 177.148 176.826 0.322 2
1 753 . 1 1 A 73 73 PHE CA C 73 60.214 60.086 0.128 2
1 754 . 1 1 A 73 73 PHE CB C 73 39.157 37.832 1.325 2
1 756 . 1 1 A 73 73 PHE N N 73 121.961 119.744 2.217 2
1 757 . 1 1 A 74 74 SER H H 74 8.780 7.510 1.270 2
1 758 . 1 1 A 74 74 SER HA H 74 4.353 4.597 -0.244 2
1 760 . 1 1 A 74 74 SER C C 74 174.810 174.715 0.095 2
1 761 . 1 1 A 74 74 SER CA C 74 58.965 58.403 0.562 2
1 762 . 1 1 A 74 74 SER CB C 74 63.650 63.517 0.133 2
1 763 . 1 1 A 74 74 SER N N 74 114.021 114.253 -0.232 2
1 764 . 1 1 A 75 75 GLY H H 75 8.004 8.346 -0.342 2
1 765 . 1 1 A 75 75 GLY HA2 H 75 3.635 3.903 -0.268 2
1 766 . 1 1 A 75 75 GLY HA3 H 75 4.221 3.952 0.269 2
1 767 . 1 1 A 75 75 GLY C C 75 173.254 174.091 -0.837 2
1 768 . 1 1 A 75 75 GLY CA C 75 45.162 45.415 -0.253 2
1 769 . 1 1 A 75 75 GLY N N 75 108.714 109.584 -0.870 2
1 770 . 1 1 A 76 76 HIS H H 76 7.670 7.949 -0.279 2
1 771 . 1 1 A 76 76 HIS HA H 76 5.020 4.723 0.297 2
1 775 . 1 1 A 76 76 HIS CA C 76 52.522 54.112 -1.590 2
1 776 . 1 1 A 76 76 HIS CB C 76 29.410 30.590 -1.180 2
1 777 . 1 1 A 76 76 HIS N N 76 118.164 119.306 -1.142 2
1 778 . 1 1 A 77 77 PRO HA H 77 4.551 4.990 -0.439 2
1 784 . 1 1 A 77 77 PRO C C 77 176.458 176.370 0.088 2
1 785 . 1 1 A 77 77 PRO CA C 77 63.263 62.862 0.401 2
1 786 . 1 1 A 77 77 PRO CB C 77 32.077 31.839 0.238 2
1 789 . 1 1 A 78 78 LYS H H 78 8.846 9.064 -0.218 2
1 790 . 1 1 A 78 78 LYS HA H 78 4.772 5.060 -0.288 2
1 796 . 1 1 A 78 78 LYS CA C 78 55.964 54.853 1.111 2
1 797 . 1 1 A 78 78 LYS CB C 78 35.816 35.027 0.789 2
1 799 . 1 1 A 78 78 LYS N N 78 124.197 122.584 1.613 2
1 800 . 1 1 A 79 79 GLY H H 79 8.352 8.546 -0.194 2
1 801 . 1 1 A 79 79 GLY HA2 H 79 3.871 4.195 -0.324 2
1 802 . 1 1 A 79 79 GLY HA3 H 79 5.451 4.238 1.213 2
1 803 . 1 1 A 79 79 GLY C C 79 173.400 172.061 1.339 2
1 804 . 1 1 A 79 79 GLY CA C 79 45.189 44.784 0.405 2
1 805 . 1 1 A 79 79 GLY N N 79 109.568 108.743 0.825 2
1 806 . 1 1 A 80 80 TYR H H 80 8.856 8.751 0.105 2
1 807 . 1 1 A 80 80 TYR HA H 80 4.940 5.279 -0.339 2
1 814 . 1 1 A 80 80 TYR C C 80 171.720 172.915 -1.195 2
1 815 . 1 1 A 80 80 TYR CA C 80 56.267 56.385 -0.118 2
1 816 . 1 1 A 80 80 TYR CB C 80 40.003 41.837 -1.834 2
1 818 . 1 1 A 80 80 TYR N N 80 120.052 117.632 2.420 2
1 819 . 1 1 A 81 81 ALA H H 81 9.215 8.964 0.251 2
1 820 . 1 1 A 81 81 ALA HA H 81 5.386 5.413 -0.027 2
1 824 . 1 1 A 81 81 ALA C C 81 175.357 175.231 0.126 2
1 825 . 1 1 A 81 81 ALA CA C 81 50.089 50.366 -0.277 2
1 826 . 1 1 A 81 81 ALA CB C 81 24.030 23.368 0.662 2
1 827 . 1 1 A 81 81 ALA N N 81 120.138 122.227 -2.089 2
1 828 . 1 1 A 82 82 TYR H H 82 8.974 9.203 -0.229 2
1 829 . 1 1 A 82 82 TYR HA H 82 5.885 5.570 0.315 2
1 836 . 1 1 A 82 82 TYR C C 82 176.232 174.473 1.759 2
1 837 . 1 1 A 82 82 TYR CA C 82 55.626 56.673 -1.048 2
1 838 . 1 1 A 82 82 TYR CB C 82 41.536 40.899 0.637 2
1 839 . 1 1 A 82 82 TYR N N 82 114.621 118.557 -3.936 2
1 840 . 1 1 A 83 83 ILE H H 83 8.644 8.678 -0.034 2
1 841 . 1 1 A 83 83 ILE HA H 83 4.275 4.486 -0.211 2
1 851 . 1 1 A 83 83 ILE C C 83 173.516 174.568 -1.052 2
1 852 . 1 1 A 83 83 ILE CA C 83 60.345 59.807 0.538 2
1 853 . 1 1 A 83 83 ILE CB C 83 39.535 38.721 0.814 2
1 857 . 1 1 A 83 83 ILE N N 83 122.447 124.137 -1.690 2
1 858 . 1 1 A 84 84 GLU H H 84 8.612 9.061 -0.449 2
1 859 . 1 1 A 84 84 GLU HA H 84 4.801 4.895 -0.094 2
1 862 . 1 1 A 84 84 GLU C C 84 176.111 175.479 0.632 2
1 863 . 1 1 A 84 84 GLU CA C 84 54.496 54.898 -0.402 2
1 864 . 1 1 A 84 84 GLU CB C 84 31.499 31.347 0.152 2
1 865 . 1 1 A 84 84 GLU N N 84 127.346 127.030 0.316 2
1 866 . 1 1 A 85 85 PHE H H 85 9.087 9.184 -0.097 2
1 867 . 1 1 A 85 85 PHE HA H 85 4.817 4.947 -0.130 2
1 875 . 1 1 A 85 85 PHE C C 85 174.422 176.709 -2.287 2
1 876 . 1 1 A 85 85 PHE CA C 85 59.072 57.666 1.406 2
1 877 . 1 1 A 85 85 PHE CB C 85 40.765 41.427 -0.662 2
1 878 . 1 1 A 85 85 PHE N N 85 128.049 123.702 4.347 2
1 879 . 1 1 A 86 86 ALA H H 86 8.192 9.201 -1.009 2
1 880 . 1 1 A 86 86 ALA HA H 86 4.239 4.280 -0.041 2
1 884 . 1 1 A 86 86 ALA C C 86 178.143 177.554 0.589 2
1 885 . 1 1 A 86 86 ALA CA C 86 54.524 54.158 0.366 2
1 886 . 1 1 A 86 86 ALA CB C 86 19.510 19.620 -0.110 2
1 887 . 1 1 A 86 86 ALA N N 86 120.669 123.005 -2.336 2
1 888 . 1 1 A 87 87 GLU H H 87 8.455 8.002 0.453 2
1 889 . 1 1 A 87 87 GLU HA H 87 4.765 4.744 0.021 2
1 893 . 1 1 A 87 87 GLU C C 87 176.472 176.553 -0.081 2
1 894 . 1 1 A 87 87 GLU CA C 87 54.353 54.992 -0.639 2
1 895 . 1 1 A 87 87 GLU CB C 87 32.624 32.309 0.315 2
1 897 . 1 1 A 87 87 GLU N N 87 114.204 117.132 -2.928 2
1 898 . 1 1 A 88 88 ARG H H 88 8.917 9.012 -0.095 2
1 899 . 1 1 A 88 88 ARG HA H 88 3.961 3.993 -0.032 2
1 905 . 1 1 A 88 88 ARG C C 88 178.900 178.008 0.892 2
1 906 . 1 1 A 88 88 ARG CA C 88 59.548 59.277 0.271 2
1 907 . 1 1 A 88 88 ARG CB C 88 30.073 29.885 0.188 2
1 910 . 1 1 A 88 88 ARG N N 88 121.592 124.275 -2.682 2
1 911 . 1 1 A 89 89 ASN H H 89 8.845 8.132 0.713 2
1 912 . 1 1 A 89 89 ASN HA H 89 4.497 4.463 0.034 2
1 916 . 1 1 A 89 89 ASN C C 89 177.179 177.779 -0.600 2
1 917 . 1 1 A 89 89 ASN CA C 89 55.861 55.812 0.049 2
1 918 . 1 1 A 89 89 ASN CB C 89 37.330 37.941 -0.611 2
1 919 . 1 1 A 89 89 ASN N N 89 116.555 117.705 -1.150 2
1 921 . 1 1 A 90 90 SER H H 90 7.513 7.926 -0.413 2
1 922 . 1 1 A 90 90 SER HA H 90 4.006 4.208 -0.202 2
1 925 . 1 1 A 90 90 SER C C 90 174.511 175.837 -1.326 2
1 926 . 1 1 A 90 90 SER CA C 90 61.395 62.266 -0.871 2
1 927 . 1 1 A 90 90 SER CB C 90 63.424 62.641 0.783 2
1 928 . 1 1 A 90 90 SER N N 90 116.007 117.418 -1.411 2
1 929 . 1 1 A 91 91 VAL H H 91 7.653 7.652 0.001 2
1 930 . 1 1 A 91 91 VAL HA H 91 3.201 3.570 -0.369 2
1 938 . 1 1 A 91 91 VAL C C 91 176.991 177.533 -0.542 2
1 939 . 1 1 A 91 91 VAL CA C 91 66.851 65.228 1.623 2
1 940 . 1 1 A 91 91 VAL CB C 91 31.599 31.461 0.138 2
1 943 . 1 1 A 91 91 VAL N N 91 119.934 119.395 0.539 2
1 944 . 1 1 A 92 92 ASP H H 92 7.192 8.021 -0.829 2
1 945 . 1 1 A 92 92 ASP HA H 92 4.321 4.325 -0.004 2
1 947 . 1 1 A 92 92 ASP C C 92 178.585 178.193 0.392 2
1 948 . 1 1 A 92 92 ASP CA C 92 57.401 57.345 0.056 2
1 949 . 1 1 A 92 92 ASP CB C 92 40.078 41.128 -1.050 2
1 950 . 1 1 A 92 92 ASP N N 92 117.084 121.691 -4.607 2
1 951 . 1 1 A 93 93 ALA H H 93 6.946 7.777 -0.831 2
1 952 . 1 1 A 93 93 ALA HA H 93 4.186 4.185 0.001 2
1 956 . 1 1 A 93 93 ALA C C 93 179.272 179.864 -0.592 2
1 957 . 1 1 A 93 93 ALA CA C 93 54.445 54.676 -0.231 2
1 958 . 1 1 A 93 93 ALA CB C 93 18.164 18.233 -0.069 2
1 959 . 1 1 A 93 93 ALA N N 93 121.045 121.477 -0.432 2
1 960 . 1 1 A 94 94 ALA H H 94 8.033 7.809 0.224 2
1 961 . 1 1 A 94 94 ALA HA H 94 4.545 4.172 0.373 2
1 965 . 1 1 A 94 94 ALA C C 94 180.529 179.614 0.915 2
1 966 . 1 1 A 94 94 ALA CA C 94 55.518 55.173 0.345 2
1 967 . 1 1 A 94 94 ALA CB C 94 19.455 18.620 0.835 2
1 968 . 1 1 A 94 94 ALA N N 94 122.191 120.745 1.446 2
1 969 . 1 1 A 95 95 VAL H H 95 8.565 8.435 0.130 2
1 970 . 1 1 A 95 95 VAL HA H 95 3.741 3.916 -0.175 2
1 978 . 1 1 A 95 95 VAL C C 95 178.767 177.845 0.922 2
1 979 . 1 1 A 95 95 VAL CA C 95 65.820 64.794 1.026 2
1 980 . 1 1 A 95 95 VAL CB C 95 31.501 31.453 0.048 2
1 983 . 1 1 A 95 95 VAL N N 95 117.405 116.555 0.850 2
1 984 . 1 1 A 96 96 ALA H H 96 7.354 7.954 -0.600 2
1 985 . 1 1 A 96 96 ALA HA H 96 4.403 4.213 0.190 2
1 989 . 1 1 A 96 96 ALA C C 96 178.242 178.217 0.025 2
1 990 . 1 1 A 96 96 ALA CA C 96 53.916 54.039 -0.123 2
1 991 . 1 1 A 96 96 ALA CB C 96 17.841 18.308 -0.467 2
1 992 . 1 1 A 96 96 ALA N N 96 122.769 123.740 -0.971 2
1 993 . 1 1 A 97 97 MET H H 97 7.980 7.985 -0.005 2
1 994 . 1 1 A 97 97 MET HA H 97 4.471 4.816 -0.345 2
1 1002 . 1 1 A 97 97 MET C C 97 175.959 176.638 -0.679 2
1 1003 . 1 1 A 97 97 MET CA C 97 55.150 54.656 0.494 2
1 1004 . 1 1 A 97 97 MET CB C 97 31.663 32.657 -0.994 2
1 1007 . 1 1 A 97 97 MET N N 97 115.573 116.494 -0.921 2
1 1008 . 1 1 A 98 98 ASP H H 98 7.852 8.355 -0.503 2
1 1009 . 1 1 A 98 98 ASP HA H 98 4.422 4.443 -0.021 2
1 1012 . 1 1 A 98 98 ASP C C 98 175.976 176.742 -0.766 2
1 1013 . 1 1 A 98 98 ASP CA C 98 57.476 56.975 0.501 2
1 1014 . 1 1 A 98 98 ASP CB C 98 42.008 40.558 1.450 2
1 1015 . 1 1 A 98 98 ASP N N 98 121.576 120.238 1.338 2
1 1016 . 1 1 A 99 99 GLU H H 99 8.643 7.880 0.763 2
1 1017 . 1 1 A 99 99 GLU HA H 99 4.154 4.709 -0.555 2
1 1022 . 1 1 A 99 99 GLU C C 99 176.369 175.404 0.965 2
1 1023 . 1 1 A 99 99 GLU CA C 99 58.403 55.459 2.944 2
1 1024 . 1 1 A 99 99 GLU CB C 99 26.214 30.698 -4.484 2
1 1026 . 1 1 A 99 99 GLU N N 99 119.455 118.668 0.787 2
1 1027 . 1 1 A 100 100 THR H H 100 7.416 8.211 -0.795 2
1 1028 . 1 1 A 100 100 THR HA H 100 4.498 4.818 -0.320 2
1 1033 . 1 1 A 100 100 THR C C 100 172.876 172.664 0.212 2
1 1034 . 1 1 A 100 100 THR CA C 100 61.065 60.750 0.315 2
1 1035 . 1 1 A 100 100 THR CB C 100 72.140 71.210 0.930 2
1 1037 . 1 1 A 100 100 THR N N 100 107.670 116.938 -9.268 2
1 1038 . 1 1 A 101 101 VAL H H 101 8.252 8.777 -0.525 2
1 1039 . 1 1 A 101 101 VAL HA H 101 4.638 5.056 -0.418 2
1 1047 . 1 1 A 101 101 VAL C C 101 176.138 173.992 2.146 2
1 1048 . 1 1 A 101 101 VAL CA C 101 62.299 59.860 2.439 2
1 1049 . 1 1 A 101 101 VAL CB C 101 32.215 34.132 -1.917 2
1 1052 . 1 1 A 101 101 VAL N N 101 118.227 122.266 -4.039 2
1 1053 . 1 1 A 102 102 PHE H H 102 9.300 9.494 -0.194 2
1 1054 . 1 1 A 102 102 PHE HA H 102 4.671 4.802 -0.131 2
1 1061 . 1 1 A 102 102 PHE C C 102 174.216 174.910 -0.694 2
1 1062 . 1 1 A 102 102 PHE CA C 102 56.205 57.309 -1.104 2
1 1063 . 1 1 A 102 102 PHE CB C 102 41.707 41.661 0.046 2
1 1064 . 1 1 A 102 102 PHE N N 102 128.863 129.938 -1.075 2
1 1065 . 1 1 A 103 103 ARG H H 103 9.167 9.024 0.143 2
1 1066 . 1 1 A 103 103 ARG HA H 103 3.389 3.772 -0.383 2
1 1075 . 1 1 A 103 103 ARG C C 103 176.014 175.748 0.266 2
1 1076 . 1 1 A 103 103 ARG CA C 103 57.215 56.860 0.355 2
1 1077 . 1 1 A 103 103 ARG CB C 103 27.382 28.353 -0.971 2
1 1080 . 1 1 A 103 103 ARG N N 103 128.268 127.111 1.157 2
1 1082 . 1 1 A 104 104 GLY H H 104 8.005 8.476 -0.471 2
1 1083 . 1 1 A 104 104 GLY HA2 H 104 4.006 3.835 0.171 2
1 1084 . 1 1 A 104 104 GLY HA3 H 104 3.455 3.840 -0.385 2
1 1085 . 1 1 A 104 104 GLY C C 104 173.766 173.603 0.163 2
1 1086 . 1 1 A 104 104 GLY CA C 104 45.598 45.329 0.269 2
1 1087 . 1 1 A 104 104 GLY N N 104 101.324 105.025 -3.701 2
1 1088 . 1 1 A 105 105 ARG H H 105 7.681 7.701 -0.020 2
1 1089 . 1 1 A 105 105 ARG HA H 105 4.735 4.895 -0.160 2
1 1097 . 1 1 A 105 105 ARG C C 105 174.543 174.924 -0.381 2
1 1098 . 1 1 A 105 105 ARG CA C 105 54.071 54.311 -0.240 2
1 1099 . 1 1 A 105 105 ARG CB C 105 33.159 33.193 -0.034 2
1 1102 . 1 1 A 105 105 ARG N N 105 119.837 116.923 2.914 2
1 1104 . 1 1 A 106 106 THR H H 106 8.604 8.682 -0.078 2
1 1105 . 1 1 A 106 106 THR HA H 106 4.593 4.809 -0.216 2
1 1110 . 1 1 A 106 106 THR C C 106 175.643 174.440 1.203 2
1 1111 . 1 1 A 106 106 THR CA C 106 62.821 63.270 -0.449 2
1 1112 . 1 1 A 106 106 THR CB C 106 68.784 69.105 -0.321 2
1 1114 . 1 1 A 106 106 THR N N 106 118.251 117.496 0.755 2
1 1115 . 1 1 A 107 107 ILE H H 107 8.756 8.894 -0.138 2
1 1116 . 1 1 A 107 107 ILE HA H 107 4.884 5.019 -0.135 2
1 1126 . 1 1 A 107 107 ILE C C 107 174.877 174.353 0.524 2
1 1127 . 1 1 A 107 107 ILE CA C 107 60.834 59.105 1.729 2
1 1128 . 1 1 A 107 107 ILE CB C 107 40.644 40.362 0.282 2
1 1132 . 1 1 A 107 107 ILE N N 107 123.422 123.732 -0.310 2
1 1133 . 1 1 A 108 108 LYS H H 108 7.412 8.267 -0.855 2
1 1134 . 1 1 A 108 108 LYS HA H 108 5.524 5.678 -0.153 2
1 1141 . 1 1 A 108 108 LYS C C 108 175.839 174.862 0.977 2
1 1142 . 1 1 A 108 108 LYS CA C 108 52.172 54.818 -2.646 2
1 1143 . 1 1 A 108 108 LYS CB C 108 33.947 35.820 -1.873 2
1 1147 . 1 1 A 108 108 LYS N N 108 121.402 121.938 -0.536 2
1 1148 . 1 1 A 109 109 VAL H H 109 9.467 8.859 0.608 2
1 1149 . 1 1 A 109 109 VAL HA H 109 5.410 5.644 -0.234 2
1 1157 . 1 1 A 109 109 VAL C C 109 174.514 174.904 -0.390 2
1 1158 . 1 1 A 109 109 VAL CA C 109 61.258 60.925 0.333 2
1 1159 . 1 1 A 109 109 VAL CB C 109 34.289 34.329 -0.040 2
1 1162 . 1 1 A 109 109 VAL N N 109 125.530 124.073 1.457 2
1 1163 . 1 1 A 110 110 LEU H H 110 9.081 8.986 0.095 2
1 1164 . 1 1 A 110 110 LEU HA H 110 5.109 5.011 0.098 2
1 1173 . 1 1 A 110 110 LEU CA C 110 51.660 51.175 0.485 2
1 1174 . 1 1 A 110 110 LEU CB C 110 46.037 44.978 1.059 2
1 1178 . 1 1 A 110 110 LEU N N 110 125.323 125.491 -0.168 2
1 1179 . 1 1 A 111 111 PRO HA H 111 4.539 4.745 -0.206 2
1 1186 . 1 1 A 111 111 PRO C C 111 176.222 176.455 -0.233 2
1 1187 . 1 1 A 111 111 PRO CA C 111 63.390 62.824 0.566 2
1 1188 . 1 1 A 111 111 PRO CB C 111 31.697 32.313 -0.616 2
1 1191 . 1 1 A 112 112 LYS H H 112 8.121 8.746 -0.625 2
1 1192 . 1 1 A 112 112 LYS HA H 112 4.113 4.573 -0.460 2
1 1199 . 1 1 A 112 112 LYS C C 112 175.830 176.044 -0.214 2
1 1200 . 1 1 A 112 112 LYS CA C 112 58.405 56.198 2.207 2
1 1201 . 1 1 A 112 112 LYS CB C 112 33.746 32.932 0.814 2
1 1204 . 1 1 A 112 112 LYS N N 112 124.317 122.415 1.902 2
1 1205 . 1 1 A 113 113 ARG H H 113 8.228 8.531 -0.303 2
1 1206 . 1 1 A 113 113 ARG HA H 113 4.451 4.661 -0.210 2
1 1211 . 1 1 A 113 113 ARG C C 113 175.758 175.500 0.257 2
1 1212 . 1 1 A 113 113 ARG CA C 113 55.468 55.794 -0.326 2
1 1213 . 1 1 A 113 113 ARG CB C 113 31.550 31.975 -0.425 2
1 1215 . 1 1 A 113 113 ARG N N 113 121.228 123.779 -2.551 2
1 1216 . 1 1 A 114 114 THR H H 114 8.138 8.419 -0.281 2
1 1217 . 1 1 A 114 114 THR HA H 114 4.264 4.504 -0.240 2
1 1222 . 1 1 A 114 114 THR C C 114 174.043 173.679 0.364 2
1 1223 . 1 1 A 114 114 THR CA C 114 62.229 62.331 -0.102 2
1 1224 . 1 1 A 114 114 THR CB C 114 69.682 68.989 0.693 2
1 1226 . 1 1 A 114 114 THR N N 114 116.384 114.397 1.987 2
1 1227 . 1 1 A 115 115 ASN H H 115 8.406 8.470 -0.064 2
1 1228 . 1 1 A 115 115 ASN HA H 115 4.682 4.898 -0.216 2
1 1233 . 1 1 A 115 115 ASN C C 115 174.513 174.341 0.172 2
1 1234 . 1 1 A 115 115 ASN CA C 115 53.242 53.291 -0.049 2
1 1235 . 1 1 A 115 115 ASN CB C 115 38.888 39.774 -0.886 2
1 1236 . 1 1 A 115 115 ASN N N 115 120.871 121.463 -0.592 2
1 1238 . 1 1 A 116 116 MET H H 116 8.138 8.535 -0.397 2
1 1239 . 1 1 A 116 116 MET CA C 116 53.400 53.778 -0.378 2
1 1240 . 1 1 A 116 116 MET CB C 116 32.829 33.823 -0.994 2
1 1241 . 1 1 A 116 116 MET N N 116 121.611 122.661 -1.050 2
1 1242 . 1 1 A 117 117 PRO HA H 117 4.428 4.508 -0.080 2
1 1245 . 1 1 A 117 117 PRO C C 117 175.935 176.751 -0.816 2
1 1246 . 1 1 A 117 117 PRO CA C 117 63.489 63.657 -0.168 2
1 1247 . 1 1 A 117 117 PRO CB C 117 32.105 31.918 0.187 2
1 1248 . 1 1 A 118 118 GLY H H 118 8.411 8.195 0.216 2
1 1249 . 1 1 A 118 118 GLY HA2 H 118 3.927 4.062 -0.135 2
1 1250 . 1 1 A 118 118 GLY HA3 H 118 4.389 4.064 0.325 2
1 1251 . 1 1 A 118 118 GLY C C 118 174.117 173.365 0.752 2
1 1252 . 1 1 A 118 118 GLY CA C 118 45.470 45.340 0.129 2
1 1253 . 1 1 A 118 118 GLY N N 118 109.241 108.001 1.240 2
1 1254 . 1 1 A 119 119 ILE H H 119 7.825 8.225 -0.400 2
1 1255 . 1 1 A 119 119 ILE HA H 119 4.234 4.375 -0.141 2
1 1265 . 1 1 A 119 119 ILE C C 119 176.261 175.140 1.121 2
1 1266 . 1 1 A 119 119 ILE CA C 119 61.029 60.808 0.221 2
1 1267 . 1 1 A 119 119 ILE CB C 119 38.878 38.511 0.367 2
1 1270 . 1 1 A 119 119 ILE N N 119 119.504 120.294 -0.790 2
1 1271 . 1 1 A 120 120 SER H H 120 8.397 8.521 -0.124 2
1 1272 . 1 1 A 120 120 SER HA H 120 4.534 4.754 -0.220 2
1 1274 . 1 1 A 120 120 SER C C 120 174.692 173.393 1.299 2
1 1275 . 1 1 A 120 120 SER CA C 120 58.150 58.210 -0.060 2
1 1276 . 1 1 A 120 120 SER CB C 120 63.997 64.052 -0.055 2
1 1277 . 1 1 A 120 120 SER N N 120 119.359 121.835 -2.476 2
1 1278 . 1 1 A 121 121 SER H H 121 8.371 8.415 -0.044 2
1 1279 . 1 1 A 121 121 SER HA H 121 4.360 4.751 -0.391 2
1 1280 . 1 1 A 121 121 SER C C 121 174.809 173.854 0.955 2
1 1281 . 1 1 A 121 121 SER CA C 121 58.656 58.322 0.334 2
1 1282 . 1 1 A 121 121 SER CB C 121 63.795 63.787 0.008 2
1 1283 . 1 1 A 121 121 SER N N 121 118.036 119.815 -1.779 2
1 1284 . 1 1 A 122 122 THR H H 122 8.100 8.537 -0.437 2
1 1285 . 1 1 A 122 122 THR C C 122 174.254 173.704 0.550 2
1 1286 . 1 1 A 122 122 THR CA C 122 61.829 62.254 -0.425 2
1 1287 . 1 1 A 122 122 THR CB C 122 69.537 69.433 0.104 2
1 1288 . 1 1 A 122 122 THR N N 122 114.163 117.999 -3.836 2
1 1289 . 1 1 A 123 123 ASP H H 123 8.197 8.367 -0.170 2
1 1290 . 1 1 A 123 123 ASP HA H 123 4.641 4.809 -0.168 2
1 1292 . 1 1 A 123 123 ASP C C 123 174.975 174.988 -0.013 2
1 1293 . 1 1 A 123 123 ASP CA C 123 54.542 54.370 0.172 2
1 1294 . 1 1 A 123 123 ASP CB C 123 41.144 42.211 -1.067 2
1 1295 . 1 1 A 123 123 ASP N N 123 122.772 123.143 -0.371 2
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