data_7400_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 7400
_Entry.PDB_ID 2PJI
_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 1
_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 5 . 1 1 1 A 2 2 LYS H H 2 8.331 8.568 -0.237 1
1 10 . 1 1 1 A 2 2 LYS N N 2 125.285 123.122 2.163 1
1 11 . 1 1 1 A 3 3 GLU H H 3 8.659 8.838 -0.179 1
1 12 . 1 1 1 A 3 3 GLU HA H 3 4.322 4.519 -0.197 1
1 17 . 1 1 1 A 3 3 GLU N N 3 125.356 117.728 7.628 1
1 18 . 1 1 1 A 4 4 CYS H H 4 8.116 7.572 0.544 1
1 19 . 1 1 1 A 4 4 CYS HA H 4 4.975 5.375 -0.400 1
1 22 . 1 1 1 A 4 4 CYS N N 4 123.773 119.940 3.833 1
1 23 . 1 1 1 A 5 5 ASP H H 5 8.776 10.339 -1.563 1
1 24 . 1 1 1 A 5 5 ASP HA H 5 4.817 4.554 0.263 1
1 27 . 1 1 1 A 5 5 ASP N N 5 123.756 125.898 -2.142 1
1 28 . 1 1 1 A 6 6 CYS H H 6 6.975 7.360 -0.385 1
1 29 . 1 1 1 A 6 6 CYS HA H 6 4.931 5.111 -0.180 1
1 32 . 1 1 1 A 6 6 CYS N N 6 116.724 115.216 1.508 1
1 33 . 1 1 1 A 7 7 SER H H 7 9.659 8.773 0.886 1
1 34 . 1 1 1 A 7 7 SER HA H 7 4.226 4.839 -0.613 1
1 37 . 1 1 1 A 7 7 SER N N 7 123.545 114.724 8.821 1
1 38 . 1 1 1 A 8 8 SER H H 8 7.862 7.613 0.249 1
1 39 . 1 1 1 A 8 8 SER HA H 8 5.137 4.826 0.311 1
1 42 . 1 1 1 A 8 8 SER N N 8 119.712 115.933 3.779 1
1 43 . 1 1 1 A 9 9 PRO HA H 9 4.559 4.503 0.056 1
1 50 . 1 1 1 A 10 10 GLU H H 10 8.244 8.231 0.013 1
1 51 . 1 1 1 A 10 10 GLU HA H 10 4.294 4.415 -0.121 1
1 56 . 1 1 1 A 10 10 GLU N N 10 120.855 116.844 4.011 1
1 57 . 1 1 1 A 11 11 ASN H H 11 7.260 7.903 -0.643 1
1 58 . 1 1 1 A 11 11 ASN HA H 11 4.794 4.927 -0.133 1
1 63 . 1 1 1 A 11 11 ASN N N 11 124.776 119.296 5.480 1
1 65 . 1 1 1 A 12 12 PRO HA H 12 4.704 4.442 0.262 1
1 72 . 1 1 1 A 13 13 CYS H H 13 8.931 9.351 -0.420 1
1 73 . 1 1 1 A 13 13 CYS HA H 13 4.648 4.577 0.071 1
1 76 . 1 1 1 A 13 13 CYS N N 13 121.945 115.355 6.590 1
1 77 . 1 1 1 A 14 14 CYS H H 14 7.543 7.180 0.363 1
1 78 . 1 1 1 A 14 14 CYS HA H 14 5.056 5.424 -0.368 1
1 81 . 1 1 1 A 14 14 CYS N N 14 116.460 118.493 -2.033 1
1 82 . 1 1 1 A 15 15 ASP H H 15 8.212 9.782 -1.570 1
1 83 . 1 1 1 A 15 15 ASP HA H 15 4.570 4.687 -0.117 1
1 86 . 1 1 1 A 15 15 ASP N N 15 125.197 124.877 0.320 1
1 87 . 1 1 1 A 16 16 ALA H H 16 8.996 9.016 -0.020 1
1 88 . 1 1 1 A 16 16 ALA HA H 16 4.148 3.898 0.250 1
1 92 . 1 1 1 A 16 16 ALA N N 16 135.341 129.390 5.951 1
1 93 . 1 1 1 A 17 17 ALA H H 17 8.669 8.183 0.486 1
1 94 . 1 1 1 A 17 17 ALA HA H 17 4.361 4.091 0.270 1
1 98 . 1 1 1 A 17 17 ALA N N 17 121.910 118.827 3.083 1
1 99 . 1 1 1 A 18 18 THR H H 18 7.743 8.111 -0.368 1
1 100 . 1 1 1 A 18 18 THR HA H 18 4.445 4.466 -0.021 1
1 105 . 1 1 1 A 18 18 THR N N 18 109.481 109.080 0.401 1
1 106 . 1 1 1 A 19 19 CYS H H 19 8.601 8.977 -0.376 1
1 107 . 1 1 1 A 19 19 CYS HA H 19 4.642 4.158 0.484 1
1 110 . 1 1 1 A 19 19 CYS N N 19 123.176 120.158 3.018 1
1 111 . 1 1 1 A 20 20 LYS H H 20 7.964 7.233 0.731 1
1 112 . 1 1 1 A 20 20 LYS HA H 20 4.945 4.816 0.129 1
1 117 . 1 1 1 A 20 20 LYS N N 20 122.525 120.268 2.257 1
1 118 . 1 1 1 A 21 21 LEU H H 21 9.211 8.736 0.475 1
1 119 . 1 1 1 A 21 21 LEU HA H 21 4.285 4.850 -0.565 1
1 129 . 1 1 1 A 21 21 LEU N N 21 124.582 121.417 3.165 1
1 130 . 1 1 1 A 22 22 ARG H H 22 8.490 8.828 -0.338 1
1 131 . 1 1 1 A 22 22 ARG HA H 22 4.448 4.263 0.185 1
1 137 . 1 1 1 A 22 22 ARG N N 22 126.604 125.549 1.055 1
1 139 . 1 1 1 A 23 23 PRO HA H 23 4.389 4.535 -0.146 1
1 144 . 1 1 1 A 24 24 GLY H H 24 8.830 8.332 0.498 1
1 145 . 1 1 1 A 24 24 GLY HA2 H 24 4.295 3.925 0.370 1
1 146 . 1 1 1 A 24 24 GLY HA3 H 24 3.664 3.927 -0.263 1
1 147 . 1 1 1 A 24 24 GLY N N 24 117.708 105.925 11.783 1
1 148 . 1 1 1 A 25 25 ALA H H 25 7.942 7.779 0.163 1
1 149 . 1 1 1 A 25 25 ALA HA H 25 4.540 4.183 0.357 1
1 153 . 1 1 1 A 25 25 ALA N N 25 127.553 123.135 4.418 1
1 154 . 1 1 1 A 26 26 GLN H H 26 8.827 8.591 0.236 1
1 155 . 1 1 1 A 26 26 GLN HA H 26 4.113 4.022 0.091 1
1 162 . 1 1 1 A 26 26 GLN N N 26 122.086 119.363 2.723 1
1 164 . 1 1 1 A 27 27 CYS H H 27 7.805 7.106 0.699 1
1 165 . 1 1 1 A 27 27 CYS HA H 27 4.555 4.558 -0.003 1
1 168 . 1 1 1 A 27 27 CYS N N 27 117.409 112.982 4.427 1
1 169 . 1 1 1 A 28 28 GLY H H 28 9.163 8.329 0.834 1
1 170 . 1 1 1 A 28 28 GLY HA2 H 28 4.446 4.044 0.402 1
1 171 . 1 1 1 A 28 28 GLY HA3 H 28 3.574 4.059 -0.485 1
1 172 . 1 1 1 A 28 28 GLY N N 28 109.041 109.579 -0.538 1
1 173 . 1 1 1 A 29 29 GLU H H 29 7.844 7.976 -0.132 1
1 174 . 1 1 1 A 29 29 GLU HA H 29 4.782 4.906 -0.124 1
1 179 . 1 1 1 A 29 29 GLU N N 29 122.174 115.222 6.952 1
1 180 . 1 1 1 A 30 30 GLY H H 30 8.391 8.405 -0.014 1
1 181 . 1 1 1 A 30 30 GLY HA2 H 30 4.915 4.246 0.669 1
1 182 . 1 1 1 A 30 30 GLY HA3 H 30 3.925 4.264 -0.339 1
1 183 . 1 1 1 A 30 30 GLY N N 30 112.663 107.517 5.146 1
1 184 . 1 1 1 A 31 31 LEU H H 31 8.960 8.950 0.010 1
1 185 . 1 1 1 A 31 31 LEU HA H 31 4.354 3.960 0.394 1
1 195 . 1 1 1 A 31 31 LEU N N 31 125.039 121.858 3.181 1
1 196 . 1 1 1 A 32 32 CYS H H 32 8.467 8.869 -0.402 1
1 197 . 1 1 1 A 32 32 CYS HA H 32 5.108 4.750 0.358 1
1 200 . 1 1 1 A 32 32 CYS N N 32 119.167 113.489 5.678 1
1 201 . 1 1 1 A 33 33 CYS H H 33 7.365 7.825 -0.460 1
1 202 . 1 1 1 A 33 33 CYS HA H 33 5.291 5.401 -0.110 1
1 205 . 1 1 1 A 33 33 CYS N N 33 125.303 121.037 4.266 1
1 206 . 1 1 1 A 34 34 GLU H H 34 9.742 8.938 0.804 1
1 207 . 1 1 1 A 34 34 GLU HA H 34 4.682 4.928 -0.246 1
1 212 . 1 1 1 A 34 34 GLU N N 34 132.652 126.681 5.971 1
1 213 . 1 1 1 A 35 35 GLN H H 35 9.453 9.470 -0.017 1
1 214 . 1 1 1 A 35 35 GLN HA H 35 3.999 3.921 0.078 1
1 219 . 1 1 1 A 35 35 GLN N N 35 129.593 118.391 11.202 1
1 221 . 1 1 1 A 36 36 CYS H H 36 8.492 8.405 0.087 1
1 222 . 1 1 1 A 36 36 CYS HA H 36 4.801 4.399 0.402 1
1 225 . 1 1 1 A 36 36 CYS N N 36 109.569 109.007 0.562 1
1 226 . 1 1 1 A 37 37 LYS H H 37 8.024 7.269 0.755 1
1 227 . 1 1 1 A 37 37 LYS HA H 37 4.703 4.676 0.027 1
1 236 . 1 1 1 A 37 37 LYS N N 37 125.110 119.290 5.820 1
1 237 . 1 1 1 A 38 38 PHE H H 38 8.276 8.527 -0.251 1
1 238 . 1 1 1 A 38 38 PHE HA H 38 5.141 4.500 0.641 1
1 245 . 1 1 1 A 38 38 PHE N N 38 123.897 120.247 3.650 1
1 246 . 1 1 1 A 39 39 SER H H 39 9.044 9.192 -0.148 1
1 247 . 1 1 1 A 39 39 SER HA H 39 4.274 4.909 -0.635 1
1 250 . 1 1 1 A 39 39 SER N N 39 125.655 118.822 6.833 1
1 251 . 1 1 1 A 40 40 ARG H H 40 8.573 8.231 0.342 1
1 252 . 1 1 1 A 40 40 ARG HA H 40 4.101 4.331 -0.230 1
1 259 . 1 1 1 A 40 40 ARG N N 40 125.848 123.371 2.477 1
1 260 . 1 1 1 A 41 41 ALA H H 41 8.501 8.489 0.012 1
1 261 . 1 1 1 A 41 41 ALA HA H 41 3.724 4.068 -0.344 1
1 265 . 1 1 1 A 41 41 ALA N N 41 127.729 125.149 2.580 1
1 266 . 1 1 1 A 42 42 GLY H H 42 8.619 9.534 -0.915 1
1 267 . 1 1 1 A 42 42 GLY HA2 H 42 4.486 3.914 0.572 1
1 268 . 1 1 1 A 42 42 GLY HA3 H 42 3.587 3.916 -0.329 1
1 269 . 1 1 1 A 42 42 GLY N N 42 114.579 110.623 3.956 1
1 270 . 1 1 1 A 43 43 LYS H H 43 7.535 7.494 0.041 1
1 271 . 1 1 1 A 43 43 LYS HA H 43 4.149 4.511 -0.362 1
1 280 . 1 1 1 A 43 43 LYS N N 43 126.780 121.498 5.282 1
1 281 . 1 1 1 A 44 44 ILE H H 44 8.799 8.444 0.355 1
1 282 . 1 1 1 A 44 44 ILE HA H 44 4.035 4.327 -0.292 1
1 290 . 1 1 1 A 44 44 ILE N N 44 128.394 126.443 1.951 1
1 291 . 1 1 1 A 45 45 CYS H H 45 9.336 8.637 0.699 1
1 292 . 1 1 1 A 45 45 CYS HA H 45 5.067 4.567 0.500 1
1 295 . 1 1 1 A 45 45 CYS N N 45 123.510 127.365 -3.855 1
1 296 . 1 1 1 A 46 46 ARG H H 46 7.483 7.699 -0.216 1
1 297 . 1 1 1 A 46 46 ARG HA H 46 4.337 4.841 -0.504 1
1 302 . 1 1 1 A 46 46 ARG N N 46 122.966 119.023 3.943 1
1 303 . 1 1 1 A 47 47 ILE H H 47 8.341 8.956 -0.615 1
1 304 . 1 1 1 A 47 47 ILE HA H 47 4.235 4.407 -0.172 1
1 314 . 1 1 1 A 47 47 ILE N N 47 126.231 126.801 -0.570 1
1 315 . 1 1 1 A 48 48 ALA H H 48 9.123 7.769 1.354 1
1 316 . 1 1 1 A 48 48 ALA HA H 48 4.182 4.227 -0.045 1
1 320 . 1 1 1 A 48 48 ALA N N 48 130.514 128.677 1.837 1
1 321 . 1 1 1 A 49 49 ARG H H 49 8.023 8.472 -0.449 1
1 322 . 1 1 1 A 49 49 ARG HA H 49 4.446 4.939 -0.493 1
1 327 . 1 1 1 A 49 49 ARG N N 49 119.731 120.064 -0.333 1
1 328 . 1 1 1 A 50 50 GLY H H 50 8.427 8.173 0.254 1
1 329 . 1 1 1 A 50 50 GLY HA2 H 50 3.819 4.095 -0.276 1
1 330 . 1 1 1 A 50 50 GLY HA3 H 50 3.868 4.097 -0.229 1
1 331 . 1 1 1 A 50 50 GLY N N 50 110.845 107.421 3.424 1
1 332 . 1 1 1 A 51 51 ASP H H 51 8.616 8.848 -0.232 1
1 333 . 1 1 1 A 51 51 ASP HA H 51 4.709 4.636 0.073 1
1 336 . 1 1 1 A 51 51 ASP N N 51 122.577 125.454 -2.877 1
1 337 . 1 1 1 A 52 52 MET H H 52 7.844 7.560 0.284 1
1 338 . 1 1 1 A 52 52 MET HA H 52 4.640 4.831 -0.191 1
1 343 . 1 1 1 A 52 52 MET N N 52 120.326 119.199 1.127 1
1 344 . 1 1 1 A 53 53 PRO HA H 53 3.950 4.536 -0.586 1
1 351 . 1 1 1 A 54 54 ASP H H 54 7.895 8.463 -0.568 1
1 352 . 1 1 1 A 54 54 ASP HA H 54 4.515 5.052 -0.537 1
1 355 . 1 1 1 A 54 54 ASP N N 54 118.468 120.407 -1.939 1
1 356 . 1 1 1 A 55 55 ASP H H 55 8.529 8.920 -0.391 1
1 357 . 1 1 1 A 55 55 ASP HA H 55 4.954 5.204 -0.250 1
1 360 . 1 1 1 A 55 55 ASP N N 55 121.071 118.472 2.599 1
1 361 . 1 1 1 A 56 56 ARG H H 56 8.294 8.927 -0.633 1
1 362 . 1 1 1 A 56 56 ARG HA H 56 5.215 5.261 -0.046 1
1 367 . 1 1 1 A 56 56 ARG N N 56 119.468 123.483 -4.015 1
1 368 . 1 1 1 A 57 57 CYS H H 57 9.244 9.668 -0.424 1
1 369 . 1 1 1 A 57 57 CYS HA H 57 4.757 4.571 0.186 1
1 372 . 1 1 1 A 57 57 CYS N N 57 119.308 121.206 -1.898 1
1 373 . 1 1 1 A 58 58 THR H H 58 10.180 8.156 2.024 1
1 374 . 1 1 1 A 58 58 THR HA H 58 4.442 4.455 -0.013 1
1 379 . 1 1 1 A 58 58 THR N N 58 117.445 115.872 1.573 1
1 380 . 1 1 1 A 59 59 GLY H H 59 8.546 7.703 0.843 1
1 381 . 1 1 1 A 59 59 GLY HA2 H 59 4.460 3.938 0.522 1
1 382 . 1 1 1 A 59 59 GLY HA3 H 59 4.460 3.958 0.502 1
1 383 . 1 1 1 A 59 59 GLY N N 59 115.880 109.840 6.040 1
1 384 . 1 1 1 A 60 60 GLN H H 60 7.986 7.828 0.158 1
1 385 . 1 1 1 A 60 60 GLN HA H 60 4.298 4.085 0.213 1
1 388 . 1 1 1 A 60 60 GLN N N 60 119.027 117.174 1.853 1
1 390 . 1 1 1 A 61 61 SER H H 61 6.630 7.487 -0.857 1
1 391 . 1 1 1 A 61 61 SER HA H 61 3.880 4.243 -0.363 1
1 394 . 1 1 1 A 61 61 SER N N 61 114.913 114.847 0.066 1
1 395 . 1 1 1 A 62 62 ALA H H 62 9.027 8.823 0.204 1
1 396 . 1 1 1 A 62 62 ALA HA H 62 4.435 4.623 -0.188 1
1 400 . 1 1 1 A 62 62 ALA N N 62 129.628 124.767 4.861 1
1 401 . 1 1 1 A 63 63 ASP H H 63 8.080 7.976 0.104 1
1 402 . 1 1 1 A 63 63 ASP HA H 63 4.895 4.764 0.131 1
1 405 . 1 1 1 A 63 63 ASP N N 63 121.506 116.418 5.088 1
1 406 . 1 1 1 A 64 64 CYS H H 64 8.924 8.616 0.308 1
1 407 . 1 1 1 A 64 64 CYS HA H 64 5.403 5.204 0.199 1
1 410 . 1 1 1 A 64 64 CYS N N 64 125.936 118.499 7.437 1
1 411 . 1 1 1 A 65 65 PRO HA H 65 4.375 4.579 -0.204 1
1 418 . 1 1 1 A 66 66 ARG H H 66 8.203 8.501 -0.298 1
1 419 . 1 1 1 A 66 66 ARG HA H 66 4.362 4.525 -0.163 1
1 426 . 1 1 1 A 66 66 ARG N N 66 123.580 120.790 2.790 1
1 427 . 1 1 1 A 67 67 TYR H H 67 8.650 8.558 0.092 1
1 428 . 1 1 1 A 67 67 TYR HA H 67 4.459 4.302 0.157 1
1 435 . 1 1 1 A 67 67 TYR N N 67 128.872 122.580 6.292 1
1 5 . 2 1 1 A 2 2 LYS H H 2 8.331 7.733 0.598 1
1 10 . 2 1 1 A 2 2 LYS N N 2 125.285 120.892 4.393 1
1 11 . 2 1 1 A 3 3 GLU H H 3 8.659 8.841 -0.182 1
1 12 . 2 1 1 A 3 3 GLU HA H 3 4.322 4.533 -0.211 1
1 17 . 2 1 1 A 3 3 GLU N N 3 125.356 123.587 1.769 1
1 18 . 2 1 1 A 4 4 CYS H H 4 8.116 7.774 0.342 1
1 19 . 2 1 1 A 4 4 CYS HA H 4 4.975 5.428 -0.453 1
1 22 . 2 1 1 A 4 4 CYS N N 4 123.773 118.276 5.497 1
1 23 . 2 1 1 A 5 5 ASP H H 5 8.776 10.609 -1.833 1
1 24 . 2 1 1 A 5 5 ASP HA H 5 4.817 4.672 0.145 1
1 27 . 2 1 1 A 5 5 ASP N N 5 123.756 124.145 -0.389 1
1 28 . 2 1 1 A 6 6 CYS H H 6 6.975 7.485 -0.510 1
1 29 . 2 1 1 A 6 6 CYS HA H 6 4.931 4.913 0.018 1
1 32 . 2 1 1 A 6 6 CYS N N 6 116.724 113.453 3.271 1
1 33 . 2 1 1 A 7 7 SER H H 7 9.659 8.707 0.952 1
1 34 . 2 1 1 A 7 7 SER HA H 7 4.226 4.557 -0.331 1
1 37 . 2 1 1 A 7 7 SER N N 7 123.545 117.073 6.472 1
1 38 . 2 1 1 A 8 8 SER H H 8 7.862 7.625 0.237 1
1 39 . 2 1 1 A 8 8 SER HA H 8 5.137 4.670 0.467 1
1 42 . 2 1 1 A 8 8 SER N N 8 119.712 115.756 3.956 1
1 43 . 2 1 1 A 9 9 PRO HA H 9 4.559 4.619 -0.060 1
1 50 . 2 1 1 A 10 10 GLU H H 10 8.244 8.361 -0.117 1
1 51 . 2 1 1 A 10 10 GLU HA H 10 4.294 4.591 -0.297 1
1 56 . 2 1 1 A 10 10 GLU N N 10 120.855 117.465 3.390 1
1 57 . 2 1 1 A 11 11 ASN H H 11 7.260 7.566 -0.306 1
1 58 . 2 1 1 A 11 11 ASN HA H 11 4.794 5.047 -0.253 1
1 63 . 2 1 1 A 11 11 ASN N N 11 124.776 120.348 4.428 1
1 65 . 2 1 1 A 12 12 PRO HA H 12 4.704 4.442 0.262 1
1 72 . 2 1 1 A 13 13 CYS H H 13 8.931 9.517 -0.586 1
1 73 . 2 1 1 A 13 13 CYS HA H 13 4.648 4.640 0.008 1
1 76 . 2 1 1 A 13 13 CYS N N 13 121.945 115.296 6.649 1
1 77 . 2 1 1 A 14 14 CYS H H 14 7.543 7.355 0.188 1
1 78 . 2 1 1 A 14 14 CYS HA H 14 5.056 5.083 -0.027 1
1 81 . 2 1 1 A 14 14 CYS N N 14 116.460 116.355 0.105 1
1 82 . 2 1 1 A 15 15 ASP H H 15 8.212 8.928 -0.716 1
1 83 . 2 1 1 A 15 15 ASP HA H 15 4.570 4.676 -0.106 1
1 86 . 2 1 1 A 15 15 ASP N N 15 125.197 124.321 0.876 1
1 87 . 2 1 1 A 16 16 ALA H H 16 8.996 8.961 0.035 1
1 88 . 2 1 1 A 16 16 ALA HA H 16 4.148 3.971 0.177 1
1 92 . 2 1 1 A 16 16 ALA N N 16 135.341 129.520 5.821 1
1 93 . 2 1 1 A 17 17 ALA H H 17 8.669 8.129 0.540 1
1 94 . 2 1 1 A 17 17 ALA HA H 17 4.361 4.093 0.268 1
1 98 . 2 1 1 A 17 17 ALA N N 17 121.910 119.322 2.588 1
1 99 . 2 1 1 A 18 18 THR H H 18 7.743 7.808 -0.065 1
1 100 . 2 1 1 A 18 18 THR HA H 18 4.445 4.443 0.002 1
1 105 . 2 1 1 A 18 18 THR N N 18 109.481 109.002 0.479 1
1 106 . 2 1 1 A 19 19 CYS H H 19 8.601 8.512 0.089 1
1 107 . 2 1 1 A 19 19 CYS HA H 19 4.642 4.165 0.477 1
1 110 . 2 1 1 A 19 19 CYS N N 19 123.176 120.340 2.836 1
1 111 . 2 1 1 A 20 20 LYS H H 20 7.964 7.751 0.213 1
1 112 . 2 1 1 A 20 20 LYS HA H 20 4.945 4.616 0.329 1
1 117 . 2 1 1 A 20 20 LYS N N 20 122.525 121.406 1.119 1
1 118 . 2 1 1 A 21 21 LEU H H 21 9.211 8.467 0.744 1
1 119 . 2 1 1 A 21 21 LEU HA H 21 4.285 4.387 -0.102 1
1 129 . 2 1 1 A 21 21 LEU N N 21 124.582 120.972 3.610 1
1 130 . 2 1 1 A 22 22 ARG H H 22 8.490 7.935 0.555 1
1 131 . 2 1 1 A 22 22 ARG HA H 22 4.448 4.771 -0.323 1
1 137 . 2 1 1 A 22 22 ARG N N 22 126.604 119.398 7.206 1
1 139 . 2 1 1 A 23 23 PRO HA H 23 4.389 4.443 -0.054 1
1 144 . 2 1 1 A 24 24 GLY H H 24 8.830 8.276 0.554 1
1 145 . 2 1 1 A 24 24 GLY HA2 H 24 4.295 3.952 0.343 1
1 146 . 2 1 1 A 24 24 GLY HA3 H 24 3.664 3.952 -0.288 1
1 147 . 2 1 1 A 24 24 GLY N N 24 117.708 106.799 10.909 1
1 148 . 2 1 1 A 25 25 ALA H H 25 7.942 7.091 0.851 1
1 149 . 2 1 1 A 25 25 ALA HA H 25 4.540 4.466 0.074 1
1 153 . 2 1 1 A 25 25 ALA N N 25 127.553 119.686 7.867 1
1 154 . 2 1 1 A 26 26 GLN H H 26 8.827 8.879 -0.052 1
1 155 . 2 1 1 A 26 26 GLN HA H 26 4.113 4.381 -0.268 1
1 162 . 2 1 1 A 26 26 GLN N N 26 122.086 115.621 6.465 1
1 164 . 2 1 1 A 27 27 CYS H H 27 7.805 7.193 0.612 1
1 165 . 2 1 1 A 27 27 CYS HA H 27 4.555 4.648 -0.093 1
1 168 . 2 1 1 A 27 27 CYS N N 27 117.409 113.031 4.378 1
1 169 . 2 1 1 A 28 28 GLY H H 28 9.163 8.615 0.548 1
1 170 . 2 1 1 A 28 28 GLY HA2 H 28 4.446 3.851 0.595 1
1 171 . 2 1 1 A 28 28 GLY HA3 H 28 3.574 3.869 -0.295 1
1 172 . 2 1 1 A 28 28 GLY N N 28 109.041 109.754 -0.713 1
1 173 . 2 1 1 A 29 29 GLU H H 29 7.844 7.950 -0.106 1
1 174 . 2 1 1 A 29 29 GLU HA H 29 4.782 4.809 -0.027 1
1 179 . 2 1 1 A 29 29 GLU N N 29 122.174 114.232 7.942 1
1 180 . 2 1 1 A 30 30 GLY H H 30 8.391 8.440 -0.049 1
1 181 . 2 1 1 A 30 30 GLY HA2 H 30 4.915 4.292 0.623 1
1 182 . 2 1 1 A 30 30 GLY HA3 H 30 3.925 4.316 -0.391 1
1 183 . 2 1 1 A 30 30 GLY N N 30 112.663 107.783 4.880 1
1 184 . 2 1 1 A 31 31 LEU H H 31 8.960 8.869 0.091 1
1 185 . 2 1 1 A 31 31 LEU HA H 31 4.354 3.932 0.422 1
1 195 . 2 1 1 A 31 31 LEU N N 31 125.039 120.720 4.319 1
1 196 . 2 1 1 A 32 32 CYS H H 32 8.467 8.700 -0.233 1
1 197 . 2 1 1 A 32 32 CYS HA H 32 5.108 4.698 0.410 1
1 200 . 2 1 1 A 32 32 CYS N N 32 119.167 113.150 6.017 1
1 201 . 2 1 1 A 33 33 CYS H H 33 7.365 7.566 -0.201 1
1 202 . 2 1 1 A 33 33 CYS HA H 33 5.291 5.382 -0.091 1
1 205 . 2 1 1 A 33 33 CYS N N 33 125.303 120.942 4.361 1
1 206 . 2 1 1 A 34 34 GLU H H 34 9.742 8.989 0.753 1
1 207 . 2 1 1 A 34 34 GLU HA H 34 4.682 4.778 -0.096 1
1 212 . 2 1 1 A 34 34 GLU N N 34 132.652 127.913 4.739 1
1 213 . 2 1 1 A 35 35 GLN H H 35 9.453 9.325 0.128 1
1 214 . 2 1 1 A 35 35 GLN HA H 35 3.999 3.883 0.116 1
1 219 . 2 1 1 A 35 35 GLN N N 35 129.593 125.790 3.803 1
1 221 . 2 1 1 A 36 36 CYS H H 36 8.492 8.416 0.076 1
1 222 . 2 1 1 A 36 36 CYS HA H 36 4.801 4.427 0.374 1
1 225 . 2 1 1 A 36 36 CYS N N 36 109.569 110.738 -1.169 1
1 226 . 2 1 1 A 37 37 LYS H H 37 8.024 7.428 0.596 1
1 227 . 2 1 1 A 37 37 LYS HA H 37 4.703 4.624 0.079 1
1 236 . 2 1 1 A 37 37 LYS N N 37 125.110 119.613 5.497 1
1 237 . 2 1 1 A 38 38 PHE H H 38 8.276 8.409 -0.133 1
1 238 . 2 1 1 A 38 38 PHE HA H 38 5.141 4.512 0.629 1
1 245 . 2 1 1 A 38 38 PHE N N 38 123.897 121.118 2.779 1
1 246 . 2 1 1 A 39 39 SER H H 39 9.044 8.576 0.468 1
1 247 . 2 1 1 A 39 39 SER HA H 39 4.274 4.632 -0.358 1
1 250 . 2 1 1 A 39 39 SER N N 39 125.655 117.984 7.671 1
1 251 . 2 1 1 A 40 40 ARG H H 40 8.573 8.502 0.071 1
1 252 . 2 1 1 A 40 40 ARG HA H 40 4.101 4.673 -0.572 1
1 259 . 2 1 1 A 40 40 ARG N N 40 125.848 120.415 5.433 1
1 260 . 2 1 1 A 41 41 ALA H H 41 8.501 8.499 0.002 1
1 261 . 2 1 1 A 41 41 ALA HA H 41 3.724 3.942 -0.218 1
1 265 . 2 1 1 A 41 41 ALA N N 41 127.729 125.425 2.304 1
1 266 . 2 1 1 A 42 42 GLY H H 42 8.619 9.388 -0.769 1
1 267 . 2 1 1 A 42 42 GLY HA2 H 42 4.486 3.867 0.619 1
1 268 . 2 1 1 A 42 42 GLY HA3 H 42 3.587 3.867 -0.280 1
1 269 . 2 1 1 A 42 42 GLY N N 42 114.579 110.570 4.009 1
1 270 . 2 1 1 A 43 43 LYS H H 43 7.535 7.771 -0.236 1
1 271 . 2 1 1 A 43 43 LYS HA H 43 4.149 4.648 -0.499 1
1 280 . 2 1 1 A 43 43 LYS N N 43 126.780 120.603 6.177 1
1 281 . 2 1 1 A 44 44 ILE H H 44 8.799 8.460 0.339 1
1 282 . 2 1 1 A 44 44 ILE HA H 44 4.035 4.398 -0.363 1
1 290 . 2 1 1 A 44 44 ILE N N 44 128.394 126.232 2.162 1
1 291 . 2 1 1 A 45 45 CYS H H 45 9.336 8.631 0.705 1
1 292 . 2 1 1 A 45 45 CYS HA H 45 5.067 4.487 0.580 1
1 295 . 2 1 1 A 45 45 CYS N N 45 123.510 127.513 -4.003 1
1 296 . 2 1 1 A 46 46 ARG H H 46 7.483 7.498 -0.015 1
1 297 . 2 1 1 A 46 46 ARG HA H 46 4.337 4.817 -0.480 1
1 302 . 2 1 1 A 46 46 ARG N N 46 122.966 119.604 3.362 1
1 303 . 2 1 1 A 47 47 ILE H H 47 8.341 9.021 -0.680 1
1 304 . 2 1 1 A 47 47 ILE HA H 47 4.235 4.518 -0.283 1
1 314 . 2 1 1 A 47 47 ILE N N 47 126.231 127.269 -1.038 1
1 315 . 2 1 1 A 48 48 ALA H H 48 9.123 7.935 1.188 1
1 316 . 2 1 1 A 48 48 ALA HA H 48 4.182 4.323 -0.141 1
1 320 . 2 1 1 A 48 48 ALA N N 48 130.514 131.889 -1.375 1
1 321 . 2 1 1 A 49 49 ARG H H 49 8.023 8.914 -0.891 1
1 322 . 2 1 1 A 49 49 ARG HA H 49 4.446 4.714 -0.268 1
1 327 . 2 1 1 A 49 49 ARG N N 49 119.731 121.006 -1.275 1
1 328 . 2 1 1 A 50 50 GLY H H 50 8.427 8.197 0.230 1
1 329 . 2 1 1 A 50 50 GLY HA2 H 50 3.819 4.201 -0.382 1
1 330 . 2 1 1 A 50 50 GLY HA3 H 50 3.868 4.203 -0.335 1
1 331 . 2 1 1 A 50 50 GLY N N 50 110.845 109.683 1.162 1
1 332 . 2 1 1 A 51 51 ASP H H 51 8.616 8.694 -0.078 1
1 333 . 2 1 1 A 51 51 ASP HA H 51 4.709 4.799 -0.090 1
1 336 . 2 1 1 A 51 51 ASP N N 51 122.577 125.711 -3.134 1
1 337 . 2 1 1 A 52 52 MET H H 52 7.844 7.658 0.186 1
1 338 . 2 1 1 A 52 52 MET HA H 52 4.640 4.891 -0.251 1
1 343 . 2 1 1 A 52 52 MET N N 52 120.326 119.859 0.467 1
1 344 . 2 1 1 A 53 53 PRO HA H 53 3.950 4.641 -0.691 1
1 351 . 2 1 1 A 54 54 ASP H H 54 7.895 8.602 -0.707 1
1 352 . 2 1 1 A 54 54 ASP HA H 54 4.515 5.158 -0.643 1
1 355 . 2 1 1 A 54 54 ASP N N 54 118.468 120.724 -2.256 1
1 356 . 2 1 1 A 55 55 ASP H H 55 8.529 8.854 -0.325 1
1 357 . 2 1 1 A 55 55 ASP HA H 55 4.954 5.479 -0.525 1
1 360 . 2 1 1 A 55 55 ASP N N 55 121.071 121.283 -0.212 1
1 361 . 2 1 1 A 56 56 ARG H H 56 8.294 9.005 -0.711 1
1 362 . 2 1 1 A 56 56 ARG HA H 56 5.215 5.324 -0.109 1
1 367 . 2 1 1 A 56 56 ARG N N 56 119.468 124.649 -5.181 1
1 368 . 2 1 1 A 57 57 CYS H H 57 9.244 10.272 -1.028 1
1 369 . 2 1 1 A 57 57 CYS HA H 57 4.757 4.569 0.188 1
1 372 . 2 1 1 A 57 57 CYS N N 57 119.308 121.412 -2.104 1
1 373 . 2 1 1 A 58 58 THR H H 58 10.180 8.554 1.626 1
1 374 . 2 1 1 A 58 58 THR HA H 58 4.442 4.493 -0.051 1
1 379 . 2 1 1 A 58 58 THR N N 58 117.445 115.709 1.736 1
1 380 . 2 1 1 A 59 59 GLY H H 59 8.546 7.919 0.627 1
1 381 . 2 1 1 A 59 59 GLY HA2 H 59 4.460 3.965 0.495 1
1 382 . 2 1 1 A 59 59 GLY HA3 H 59 4.460 3.983 0.477 1
1 383 . 2 1 1 A 59 59 GLY N N 59 115.880 110.281 5.599 1
1 384 . 2 1 1 A 60 60 GLN H H 60 7.986 7.527 0.459 1
1 385 . 2 1 1 A 60 60 GLN HA H 60 4.298 4.104 0.194 1
1 388 . 2 1 1 A 60 60 GLN N N 60 119.027 117.896 1.131 1
1 390 . 2 1 1 A 61 61 SER H H 61 6.630 6.945 -0.315 1
1 391 . 2 1 1 A 61 61 SER HA H 61 3.880 3.896 -0.016 1
1 394 . 2 1 1 A 61 61 SER N N 61 114.913 116.789 -1.876 1
1 395 . 2 1 1 A 62 62 ALA H H 62 9.027 8.830 0.197 1
1 396 . 2 1 1 A 62 62 ALA HA H 62 4.435 4.620 -0.185 1
1 400 . 2 1 1 A 62 62 ALA N N 62 129.628 126.310 3.318 1
1 401 . 2 1 1 A 63 63 ASP H H 63 8.080 7.881 0.199 1
1 402 . 2 1 1 A 63 63 ASP HA H 63 4.895 4.898 -0.003 1
1 405 . 2 1 1 A 63 63 ASP N N 63 121.506 116.087 5.419 1
1 406 . 2 1 1 A 64 64 CYS H H 64 8.924 8.637 0.287 1
1 407 . 2 1 1 A 64 64 CYS HA H 64 5.403 5.108 0.295 1
1 410 . 2 1 1 A 64 64 CYS N N 64 125.936 119.028 6.908 1
1 411 . 2 1 1 A 65 65 PRO HA H 65 4.375 4.568 -0.193 1
1 418 . 2 1 1 A 66 66 ARG H H 66 8.203 8.250 -0.047 1
1 419 . 2 1 1 A 66 66 ARG HA H 66 4.362 4.229 0.133 1
1 426 . 2 1 1 A 66 66 ARG N N 66 123.580 118.117 5.463 1
1 427 . 2 1 1 A 67 67 TYR H H 67 8.650 7.671 0.979 1
1 428 . 2 1 1 A 67 67 TYR HA H 67 4.459 4.386 0.073 1
1 435 . 2 1 1 A 67 67 TYR N N 67 128.872 118.230 10.642 1
1 5 . 3 1 1 A 2 2 LYS H H 2 8.331 8.364 -0.033 1
1 10 . 3 1 1 A 2 2 LYS N N 2 125.285 126.141 -0.856 1
1 11 . 3 1 1 A 3 3 GLU H H 3 8.659 7.787 0.872 1
1 12 . 3 1 1 A 3 3 GLU HA H 3 4.322 4.326 -0.004 1
1 17 . 3 1 1 A 3 3 GLU N N 3 125.356 119.582 5.774 1
1 18 . 3 1 1 A 4 4 CYS H H 4 8.116 7.680 0.436 1
1 19 . 3 1 1 A 4 4 CYS HA H 4 4.975 5.514 -0.539 1
1 22 . 3 1 1 A 4 4 CYS N N 4 123.773 117.635 6.138 1
1 23 . 3 1 1 A 5 5 ASP H H 5 8.776 9.348 -0.572 1
1 24 . 3 1 1 A 5 5 ASP HA H 5 4.817 4.326 0.491 1
1 27 . 3 1 1 A 5 5 ASP N N 5 123.756 126.521 -2.765 1
1 28 . 3 1 1 A 6 6 CYS H H 6 6.975 7.491 -0.516 1
1 29 . 3 1 1 A 6 6 CYS HA H 6 4.931 4.980 -0.049 1
1 32 . 3 1 1 A 6 6 CYS N N 6 116.724 112.539 4.185 1
1 33 . 3 1 1 A 7 7 SER H H 7 9.659 8.838 0.821 1
1 34 . 3 1 1 A 7 7 SER HA H 7 4.226 4.712 -0.486 1
1 37 . 3 1 1 A 7 7 SER N N 7 123.545 116.430 7.115 1
1 38 . 3 1 1 A 8 8 SER H H 8 7.862 7.351 0.511 1
1 39 . 3 1 1 A 8 8 SER HA H 8 5.137 4.966 0.171 1
1 42 . 3 1 1 A 8 8 SER N N 8 119.712 115.502 4.210 1
1 43 . 3 1 1 A 9 9 PRO HA H 9 4.559 4.615 -0.056 1
1 50 . 3 1 1 A 10 10 GLU H H 10 8.244 8.279 -0.035 1
1 51 . 3 1 1 A 10 10 GLU HA H 10 4.294 4.651 -0.357 1
1 56 . 3 1 1 A 10 10 GLU N N 10 120.855 117.286 3.569 1
1 57 . 3 1 1 A 11 11 ASN H H 11 7.260 7.436 -0.176 1
1 58 . 3 1 1 A 11 11 ASN HA H 11 4.794 4.959 -0.165 1
1 63 . 3 1 1 A 11 11 ASN N N 11 124.776 119.263 5.513 1
1 65 . 3 1 1 A 12 12 PRO HA H 12 4.704 4.493 0.211 1
1 72 . 3 1 1 A 13 13 CYS H H 13 8.931 8.022 0.909 1
1 73 . 3 1 1 A 13 13 CYS HA H 13 4.648 4.593 0.055 1
1 76 . 3 1 1 A 13 13 CYS N N 13 121.945 114.157 7.788 1
1 77 . 3 1 1 A 14 14 CYS H H 14 7.543 7.268 0.275 1
1 78 . 3 1 1 A 14 14 CYS HA H 14 5.056 5.565 -0.509 1
1 81 . 3 1 1 A 14 14 CYS N N 14 116.460 116.906 -0.446 1
1 82 . 3 1 1 A 15 15 ASP H H 15 8.212 9.205 -0.993 1
1 83 . 3 1 1 A 15 15 ASP HA H 15 4.570 4.456 0.114 1
1 86 . 3 1 1 A 15 15 ASP N N 15 125.197 125.474 -0.277 1
1 87 . 3 1 1 A 16 16 ALA H H 16 8.996 8.982 0.014 1
1 88 . 3 1 1 A 16 16 ALA HA H 16 4.148 4.011 0.137 1
1 92 . 3 1 1 A 16 16 ALA N N 16 135.341 129.302 6.039 1
1 93 . 3 1 1 A 17 17 ALA H H 17 8.669 7.994 0.675 1
1 94 . 3 1 1 A 17 17 ALA HA H 17 4.361 4.040 0.321 1
1 98 . 3 1 1 A 17 17 ALA N N 17 121.910 119.623 2.287 1
1 99 . 3 1 1 A 18 18 THR H H 18 7.743 7.658 0.085 1
1 100 . 3 1 1 A 18 18 THR HA H 18 4.445 4.242 0.203 1
1 105 . 3 1 1 A 18 18 THR N N 18 109.481 106.165 3.316 1
1 106 . 3 1 1 A 19 19 CYS H H 19 8.601 8.566 0.035 1
1 107 . 3 1 1 A 19 19 CYS HA H 19 4.642 4.138 0.504 1
1 110 . 3 1 1 A 19 19 CYS N N 19 123.176 119.656 3.520 1
1 111 . 3 1 1 A 20 20 LYS H H 20 7.964 7.310 0.654 1
1 112 . 3 1 1 A 20 20 LYS HA H 20 4.945 4.817 0.128 1
1 117 . 3 1 1 A 20 20 LYS N N 20 122.525 119.729 2.796 1
1 118 . 3 1 1 A 21 21 LEU H H 21 9.211 8.683 0.528 1
1 119 . 3 1 1 A 21 21 LEU HA H 21 4.285 4.634 -0.349 1
1 129 . 3 1 1 A 21 21 LEU N N 21 124.582 121.407 3.175 1
1 130 . 3 1 1 A 22 22 ARG H H 22 8.490 8.564 -0.074 1
1 131 . 3 1 1 A 22 22 ARG HA H 22 4.448 4.402 0.046 1
1 137 . 3 1 1 A 22 22 ARG N N 22 126.604 124.675 1.929 1
1 139 . 3 1 1 A 23 23 PRO HA H 23 4.389 4.502 -0.113 1
1 144 . 3 1 1 A 24 24 GLY H H 24 8.830 8.277 0.553 1
1 145 . 3 1 1 A 24 24 GLY HA2 H 24 4.295 3.902 0.393 1
1 146 . 3 1 1 A 24 24 GLY HA3 H 24 3.664 3.905 -0.241 1
1 147 . 3 1 1 A 24 24 GLY N N 24 117.708 106.259 11.449 1
1 148 . 3 1 1 A 25 25 ALA H H 25 7.942 7.586 0.356 1
1 149 . 3 1 1 A 25 25 ALA HA H 25 4.540 4.169 0.371 1
1 153 . 3 1 1 A 25 25 ALA N N 25 127.553 123.528 4.025 1
1 154 . 3 1 1 A 26 26 GLN H H 26 8.827 8.702 0.125 1
1 155 . 3 1 1 A 26 26 GLN HA H 26 4.113 3.879 0.234 1
1 162 . 3 1 1 A 26 26 GLN N N 26 122.086 121.162 0.924 1
1 164 . 3 1 1 A 27 27 CYS H H 27 7.805 6.943 0.862 1
1 165 . 3 1 1 A 27 27 CYS HA H 27 4.555 4.764 -0.209 1
1 168 . 3 1 1 A 27 27 CYS N N 27 117.409 114.615 2.794 1
1 169 . 3 1 1 A 28 28 GLY H H 28 9.163 8.366 0.797 1
1 170 . 3 1 1 A 28 28 GLY HA2 H 28 4.446 4.135 0.311 1
1 171 . 3 1 1 A 28 28 GLY HA3 H 28 3.574 4.141 -0.567 1
1 172 . 3 1 1 A 28 28 GLY N N 28 109.041 109.806 -0.765 1
1 173 . 3 1 1 A 29 29 GLU H H 29 7.844 7.872 -0.028 1
1 174 . 3 1 1 A 29 29 GLU HA H 29 4.782 4.835 -0.053 1
1 179 . 3 1 1 A 29 29 GLU N N 29 122.174 119.379 2.795 1
1 180 . 3 1 1 A 30 30 GLY H H 30 8.391 8.419 -0.028 1
1 181 . 3 1 1 A 30 30 GLY HA2 H 30 4.915 4.280 0.635 1
1 182 . 3 1 1 A 30 30 GLY HA3 H 30 3.925 4.298 -0.373 1
1 183 . 3 1 1 A 30 30 GLY N N 30 112.663 111.759 0.904 1
1 184 . 3 1 1 A 31 31 LEU H H 31 8.960 8.841 0.119 1
1 185 . 3 1 1 A 31 31 LEU HA H 31 4.354 3.942 0.412 1
1 195 . 3 1 1 A 31 31 LEU N N 31 125.039 120.469 4.570 1
1 196 . 3 1 1 A 32 32 CYS H H 32 8.467 8.865 -0.398 1
1 197 . 3 1 1 A 32 32 CYS HA H 32 5.108 4.733 0.375 1
1 200 . 3 1 1 A 32 32 CYS N N 32 119.167 113.422 5.745 1
1 201 . 3 1 1 A 33 33 CYS H H 33 7.365 7.341 0.024 1
1 202 . 3 1 1 A 33 33 CYS HA H 33 5.291 4.699 0.592 1
1 205 . 3 1 1 A 33 33 CYS N N 33 125.303 120.831 4.472 1
1 206 . 3 1 1 A 34 34 GLU H H 34 9.742 8.300 1.442 1
1 207 . 3 1 1 A 34 34 GLU HA H 34 4.682 4.825 -0.143 1
1 212 . 3 1 1 A 34 34 GLU N N 34 132.652 125.503 7.149 1
1 213 . 3 1 1 A 35 35 GLN H H 35 9.453 9.507 -0.054 1
1 214 . 3 1 1 A 35 35 GLN HA H 35 3.999 3.911 0.088 1
1 219 . 3 1 1 A 35 35 GLN N N 35 129.593 119.128 10.465 1
1 221 . 3 1 1 A 36 36 CYS H H 36 8.492 8.424 0.068 1
1 222 . 3 1 1 A 36 36 CYS HA H 36 4.801 4.511 0.290 1
1 225 . 3 1 1 A 36 36 CYS N N 36 109.569 109.154 0.415 1
1 226 . 3 1 1 A 37 37 LYS H H 37 8.024 7.647 0.377 1
1 227 . 3 1 1 A 37 37 LYS HA H 37 4.703 4.779 -0.076 1
1 236 . 3 1 1 A 37 37 LYS N N 37 125.110 119.411 5.699 1
1 237 . 3 1 1 A 38 38 PHE H H 38 8.276 8.718 -0.442 1
1 238 . 3 1 1 A 38 38 PHE HA H 38 5.141 4.837 0.304 1
1 245 . 3 1 1 A 38 38 PHE N N 38 123.897 120.781 3.116 1
1 246 . 3 1 1 A 39 39 SER H H 39 9.044 8.435 0.609 1
1 247 . 3 1 1 A 39 39 SER HA H 39 4.274 4.439 -0.165 1
1 250 . 3 1 1 A 39 39 SER N N 39 125.655 118.714 6.941 1
1 251 . 3 1 1 A 40 40 ARG H H 40 8.573 8.539 0.034 1
1 252 . 3 1 1 A 40 40 ARG HA H 40 4.101 4.328 -0.227 1
1 259 . 3 1 1 A 40 40 ARG N N 40 125.848 122.711 3.137 1
1 260 . 3 1 1 A 41 41 ALA H H 41 8.501 8.503 -0.002 1
1 261 . 3 1 1 A 41 41 ALA HA H 41 3.724 3.934 -0.210 1
1 265 . 3 1 1 A 41 41 ALA N N 41 127.729 125.275 2.454 1
1 266 . 3 1 1 A 42 42 GLY H H 42 8.619 9.451 -0.832 1
1 267 . 3 1 1 A 42 42 GLY HA2 H 42 4.486 3.825 0.661 1
1 268 . 3 1 1 A 42 42 GLY HA3 H 42 3.587 3.826 -0.239 1
1 269 . 3 1 1 A 42 42 GLY N N 42 114.579 109.976 4.603 1
1 270 . 3 1 1 A 43 43 LYS H H 43 7.535 7.801 -0.266 1
1 271 . 3 1 1 A 43 43 LYS HA H 43 4.149 4.551 -0.402 1
1 280 . 3 1 1 A 43 43 LYS N N 43 126.780 120.829 5.951 1
1 281 . 3 1 1 A 44 44 ILE H H 44 8.799 8.888 -0.089 1
1 282 . 3 1 1 A 44 44 ILE HA H 44 4.035 4.052 -0.017 1
1 290 . 3 1 1 A 44 44 ILE N N 44 128.394 126.633 1.761 1
1 291 . 3 1 1 A 45 45 CYS H H 45 9.336 8.448 0.888 1
1 292 . 3 1 1 A 45 45 CYS HA H 45 5.067 4.612 0.455 1
1 295 . 3 1 1 A 45 45 CYS N N 45 123.510 125.220 -1.710 1
1 296 . 3 1 1 A 46 46 ARG H H 46 7.483 7.380 0.103 1
1 297 . 3 1 1 A 46 46 ARG HA H 46 4.337 4.769 -0.432 1
1 302 . 3 1 1 A 46 46 ARG N N 46 122.966 119.419 3.547 1
1 303 . 3 1 1 A 47 47 ILE H H 47 8.341 8.545 -0.204 1
1 304 . 3 1 1 A 47 47 ILE HA H 47 4.235 4.624 -0.389 1
1 314 . 3 1 1 A 47 47 ILE N N 47 126.231 121.389 4.842 1
1 315 . 3 1 1 A 48 48 ALA H H 48 9.123 8.850 0.273 1
1 316 . 3 1 1 A 48 48 ALA HA H 48 4.182 5.429 -1.247 1
1 320 . 3 1 1 A 48 48 ALA N N 48 130.514 130.510 0.004 1
1 321 . 3 1 1 A 49 49 ARG H H 49 8.023 8.616 -0.593 1
1 322 . 3 1 1 A 49 49 ARG HA H 49 4.446 4.611 -0.165 1
1 327 . 3 1 1 A 49 49 ARG N N 49 119.731 122.563 -2.832 1
1 328 . 3 1 1 A 50 50 GLY H H 50 8.427 8.377 0.050 1
1 329 . 3 1 1 A 50 50 GLY HA2 H 50 3.819 4.061 -0.242 1
1 330 . 3 1 1 A 50 50 GLY HA3 H 50 3.868 4.065 -0.197 1
1 331 . 3 1 1 A 50 50 GLY N N 50 110.845 109.076 1.769 1
1 332 . 3 1 1 A 51 51 ASP H H 51 8.616 8.562 0.054 1
1 333 . 3 1 1 A 51 51 ASP HA H 51 4.709 4.745 -0.036 1
1 336 . 3 1 1 A 51 51 ASP N N 51 122.577 123.141 -0.564 1
1 337 . 3 1 1 A 52 52 MET H H 52 7.844 7.450 0.394 1
1 338 . 3 1 1 A 52 52 MET HA H 52 4.640 4.877 -0.237 1
1 343 . 3 1 1 A 52 52 MET N N 52 120.326 120.977 -0.651 1
1 344 . 3 1 1 A 53 53 PRO HA H 53 3.950 4.678 -0.728 1
1 351 . 3 1 1 A 54 54 ASP H H 54 7.895 8.482 -0.587 1
1 352 . 3 1 1 A 54 54 ASP HA H 54 4.515 5.190 -0.675 1
1 355 . 3 1 1 A 54 54 ASP N N 54 118.468 120.046 -1.578 1
1 356 . 3 1 1 A 55 55 ASP H H 55 8.529 8.650 -0.121 1
1 357 . 3 1 1 A 55 55 ASP HA H 55 4.954 4.773 0.181 1
1 360 . 3 1 1 A 55 55 ASP N N 55 121.071 124.018 -2.947 1
1 361 . 3 1 1 A 56 56 ARG H H 56 8.294 8.815 -0.521 1
1 362 . 3 1 1 A 56 56 ARG HA H 56 5.215 5.212 0.003 1
1 367 . 3 1 1 A 56 56 ARG N N 56 119.468 123.102 -3.634 1
1 368 . 3 1 1 A 57 57 CYS H H 57 9.244 10.134 -0.890 1
1 369 . 3 1 1 A 57 57 CYS HA H 57 4.757 4.535 0.222 1
1 372 . 3 1 1 A 57 57 CYS N N 57 119.308 120.359 -1.051 1
1 373 . 3 1 1 A 58 58 THR H H 58 10.180 8.509 1.671 1
1 374 . 3 1 1 A 58 58 THR HA H 58 4.442 4.713 -0.271 1
1 379 . 3 1 1 A 58 58 THR N N 58 117.445 114.419 3.026 1
1 380 . 3 1 1 A 59 59 GLY H H 59 8.546 7.800 0.746 1
1 381 . 3 1 1 A 59 59 GLY HA2 H 59 4.460 3.846 0.614 1
1 382 . 3 1 1 A 59 59 GLY HA3 H 59 4.460 3.854 0.606 1
1 383 . 3 1 1 A 59 59 GLY N N 59 115.880 110.166 5.714 1
1 384 . 3 1 1 A 60 60 GLN H H 60 7.986 8.722 -0.736 1
1 385 . 3 1 1 A 60 60 GLN HA H 60 4.298 2.861 1.437 1
1 388 . 3 1 1 A 60 60 GLN N N 60 119.027 119.268 -0.241 1
1 390 . 3 1 1 A 61 61 SER H H 61 6.630 7.200 -0.570 1
1 391 . 3 1 1 A 61 61 SER HA H 61 3.880 4.735 -0.855 1
1 394 . 3 1 1 A 61 61 SER N N 61 114.913 115.430 -0.517 1
1 395 . 3 1 1 A 62 62 ALA H H 62 9.027 8.966 0.061 1
1 396 . 3 1 1 A 62 62 ALA HA H 62 4.435 4.445 -0.010 1
1 400 . 3 1 1 A 62 62 ALA N N 62 129.628 128.533 1.095 1
1 401 . 3 1 1 A 63 63 ASP H H 63 8.080 7.905 0.175 1
1 402 . 3 1 1 A 63 63 ASP HA H 63 4.895 4.898 -0.003 1
1 405 . 3 1 1 A 63 63 ASP N N 63 121.506 116.208 5.298 1
1 406 . 3 1 1 A 64 64 CYS H H 64 8.924 8.487 0.437 1
1 407 . 3 1 1 A 64 64 CYS HA H 64 5.403 4.958 0.445 1
1 410 . 3 1 1 A 64 64 CYS N N 64 125.936 118.658 7.278 1
1 411 . 3 1 1 A 65 65 PRO HA H 65 4.375 4.382 -0.007 1
1 418 . 3 1 1 A 66 66 ARG H H 66 8.203 7.614 0.589 1
1 419 . 3 1 1 A 66 66 ARG HA H 66 4.362 4.237 0.125 1
1 426 . 3 1 1 A 66 66 ARG N N 66 123.580 114.031 9.549 1
1 427 . 3 1 1 A 67 67 TYR H H 67 8.650 7.920 0.730 1
1 428 . 3 1 1 A 67 67 TYR HA H 67 4.459 4.481 -0.022 1
1 435 . 3 1 1 A 67 67 TYR N N 67 128.872 118.788 10.084 1
1 5 . 4 1 1 A 2 2 LYS H H 2 8.331 8.370 -0.039 1
1 10 . 4 1 1 A 2 2 LYS N N 2 125.285 118.787 6.498 1
1 11 . 4 1 1 A 3 3 GLU H H 3 8.659 8.003 0.656 1
1 12 . 4 1 1 A 3 3 GLU HA H 3 4.322 4.422 -0.100 1
1 17 . 4 1 1 A 3 3 GLU N N 3 125.356 118.293 7.063 1
1 18 . 4 1 1 A 4 4 CYS H H 4 8.116 7.673 0.443 1
1 19 . 4 1 1 A 4 4 CYS HA H 4 4.975 5.574 -0.599 1
1 22 . 4 1 1 A 4 4 CYS N N 4 123.773 119.811 3.962 1
1 23 . 4 1 1 A 5 5 ASP H H 5 8.776 10.040 -1.264 1
1 24 . 4 1 1 A 5 5 ASP HA H 5 4.817 4.745 0.072 1
1 27 . 4 1 1 A 5 5 ASP N N 5 123.756 124.747 -0.991 1
1 28 . 4 1 1 A 6 6 CYS H H 6 6.975 7.259 -0.284 1
1 29 . 4 1 1 A 6 6 CYS HA H 6 4.931 4.871 0.060 1
1 32 . 4 1 1 A 6 6 CYS N N 6 116.724 114.188 2.536 1
1 33 . 4 1 1 A 7 7 SER H H 7 9.659 8.780 0.879 1
1 34 . 4 1 1 A 7 7 SER HA H 7 4.226 4.593 -0.367 1
1 37 . 4 1 1 A 7 7 SER N N 7 123.545 115.558 7.987 1
1 38 . 4 1 1 A 8 8 SER H H 8 7.862 7.758 0.104 1
1 39 . 4 1 1 A 8 8 SER HA H 8 5.137 4.764 0.373 1
1 42 . 4 1 1 A 8 8 SER N N 8 119.712 117.976 1.736 1
1 43 . 4 1 1 A 9 9 PRO HA H 9 4.559 4.580 -0.021 1
1 50 . 4 1 1 A 10 10 GLU H H 10 8.244 8.616 -0.372 1
1 51 . 4 1 1 A 10 10 GLU HA H 10 4.294 4.312 -0.018 1
1 56 . 4 1 1 A 10 10 GLU N N 10 120.855 116.254 4.601 1
1 57 . 4 1 1 A 11 11 ASN H H 11 7.260 7.779 -0.519 1
1 58 . 4 1 1 A 11 11 ASN HA H 11 4.794 4.855 -0.061 1
1 63 . 4 1 1 A 11 11 ASN N N 11 124.776 121.056 3.720 1
1 65 . 4 1 1 A 12 12 PRO HA H 12 4.704 4.482 0.222 1
1 72 . 4 1 1 A 13 13 CYS H H 13 8.931 8.923 0.008 1
1 73 . 4 1 1 A 13 13 CYS HA H 13 4.648 4.473 0.175 1
1 76 . 4 1 1 A 13 13 CYS N N 13 121.945 115.061 6.884 1
1 77 . 4 1 1 A 14 14 CYS H H 14 7.543 7.250 0.293 1
1 78 . 4 1 1 A 14 14 CYS HA H 14 5.056 5.077 -0.021 1
1 81 . 4 1 1 A 14 14 CYS N N 14 116.460 116.685 -0.225 1
1 82 . 4 1 1 A 15 15 ASP H H 15 8.212 8.710 -0.498 1
1 83 . 4 1 1 A 15 15 ASP HA H 15 4.570 4.607 -0.037 1
1 86 . 4 1 1 A 15 15 ASP N N 15 125.197 124.783 0.414 1
1 87 . 4 1 1 A 16 16 ALA H H 16 8.996 8.942 0.054 1
1 88 . 4 1 1 A 16 16 ALA HA H 16 4.148 3.981 0.167 1
1 92 . 4 1 1 A 16 16 ALA N N 16 135.341 129.538 5.803 1
1 93 . 4 1 1 A 17 17 ALA H H 17 8.669 8.086 0.583 1
1 94 . 4 1 1 A 17 17 ALA HA H 17 4.361 4.037 0.324 1
1 98 . 4 1 1 A 17 17 ALA N N 17 121.910 118.371 3.539 1
1 99 . 4 1 1 A 18 18 THR H H 18 7.743 7.653 0.090 1
1 100 . 4 1 1 A 18 18 THR HA H 18 4.445 4.432 0.013 1
1 105 . 4 1 1 A 18 18 THR N N 18 109.481 109.377 0.104 1
1 106 . 4 1 1 A 19 19 CYS H H 19 8.601 8.663 -0.062 1
1 107 . 4 1 1 A 19 19 CYS HA H 19 4.642 4.151 0.491 1
1 110 . 4 1 1 A 19 19 CYS N N 19 123.176 120.480 2.696 1
1 111 . 4 1 1 A 20 20 LYS H H 20 7.964 7.752 0.212 1
1 112 . 4 1 1 A 20 20 LYS HA H 20 4.945 4.635 0.310 1
1 117 . 4 1 1 A 20 20 LYS N N 20 122.525 121.213 1.312 1
1 118 . 4 1 1 A 21 21 LEU H H 21 9.211 8.471 0.740 1
1 119 . 4 1 1 A 21 21 LEU HA H 21 4.285 4.474 -0.189 1
1 129 . 4 1 1 A 21 21 LEU N N 21 124.582 120.943 3.639 1
1 130 . 4 1 1 A 22 22 ARG H H 22 8.490 7.897 0.593 1
1 131 . 4 1 1 A 22 22 ARG HA H 22 4.448 4.772 -0.324 1
1 137 . 4 1 1 A 22 22 ARG N N 22 126.604 119.574 7.030 1
1 139 . 4 1 1 A 23 23 PRO HA H 23 4.389 4.431 -0.042 1
1 144 . 4 1 1 A 24 24 GLY H H 24 8.830 8.404 0.426 1
1 145 . 4 1 1 A 24 24 GLY HA2 H 24 4.295 3.937 0.358 1
1 146 . 4 1 1 A 24 24 GLY HA3 H 24 3.664 3.940 -0.276 1
1 147 . 4 1 1 A 24 24 GLY N N 24 117.708 106.396 11.312 1
1 148 . 4 1 1 A 25 25 ALA H H 25 7.942 7.407 0.535 1
1 149 . 4 1 1 A 25 25 ALA HA H 25 4.540 4.629 -0.089 1
1 153 . 4 1 1 A 25 25 ALA N N 25 127.553 120.300 7.253 1
1 154 . 4 1 1 A 26 26 GLN H H 26 8.827 8.507 0.320 1
1 155 . 4 1 1 A 26 26 GLN HA H 26 4.113 4.467 -0.354 1
1 162 . 4 1 1 A 26 26 GLN N N 26 122.086 116.529 5.557 1
1 164 . 4 1 1 A 27 27 CYS H H 27 7.805 8.049 -0.244 1
1 165 . 4 1 1 A 27 27 CYS HA H 27 4.555 4.624 -0.069 1
1 168 . 4 1 1 A 27 27 CYS N N 27 117.409 113.556 3.853 1
1 169 . 4 1 1 A 28 28 GLY H H 28 9.163 8.586 0.577 1
1 170 . 4 1 1 A 28 28 GLY HA2 H 28 4.446 3.857 0.589 1
1 171 . 4 1 1 A 28 28 GLY HA3 H 28 3.574 3.871 -0.297 1
1 172 . 4 1 1 A 28 28 GLY N N 28 109.041 109.712 -0.671 1
1 173 . 4 1 1 A 29 29 GLU H H 29 7.844 7.857 -0.013 1
1 174 . 4 1 1 A 29 29 GLU HA H 29 4.782 4.819 -0.037 1
1 179 . 4 1 1 A 29 29 GLU N N 29 122.174 114.656 7.518 1
1 180 . 4 1 1 A 30 30 GLY H H 30 8.391 8.438 -0.047 1
1 181 . 4 1 1 A 30 30 GLY HA2 H 30 4.915 4.274 0.641 1
1 182 . 4 1 1 A 30 30 GLY HA3 H 30 3.925 4.276 -0.351 1
1 183 . 4 1 1 A 30 30 GLY N N 30 112.663 107.271 5.392 1
1 184 . 4 1 1 A 31 31 LEU H H 31 8.960 8.729 0.231 1
1 185 . 4 1 1 A 31 31 LEU HA H 31 4.354 4.042 0.312 1
1 195 . 4 1 1 A 31 31 LEU N N 31 125.039 119.478 5.561 1
1 196 . 4 1 1 A 32 32 CYS H H 32 8.467 8.677 -0.210 1
1 197 . 4 1 1 A 32 32 CYS HA H 32 5.108 4.730 0.378 1
1 200 . 4 1 1 A 32 32 CYS N N 32 119.167 112.727 6.440 1
1 201 . 4 1 1 A 33 33 CYS H H 33 7.365 7.804 -0.439 1
1 202 . 4 1 1 A 33 33 CYS HA H 33 5.291 5.468 -0.177 1
1 205 . 4 1 1 A 33 33 CYS N N 33 125.303 121.507 3.796 1
1 206 . 4 1 1 A 34 34 GLU H H 34 9.742 8.643 1.099 1
1 207 . 4 1 1 A 34 34 GLU HA H 34 4.682 4.569 0.113 1
1 212 . 4 1 1 A 34 34 GLU N N 34 132.652 128.598 4.054 1
1 213 . 4 1 1 A 35 35 GLN H H 35 9.453 9.445 0.008 1
1 214 . 4 1 1 A 35 35 GLN HA H 35 3.999 3.903 0.096 1
1 219 . 4 1 1 A 35 35 GLN N N 35 129.593 126.195 3.398 1
1 221 . 4 1 1 A 36 36 CYS H H 36 8.492 8.393 0.099 1
1 222 . 4 1 1 A 36 36 CYS HA H 36 4.801 4.526 0.275 1
1 225 . 4 1 1 A 36 36 CYS N N 36 109.569 109.298 0.271 1
1 226 . 4 1 1 A 37 37 LYS H H 37 8.024 7.636 0.388 1
1 227 . 4 1 1 A 37 37 LYS HA H 37 4.703 4.673 0.030 1
1 236 . 4 1 1 A 37 37 LYS N N 37 125.110 119.584 5.526 1
1 237 . 4 1 1 A 38 38 PHE H H 38 8.276 8.533 -0.257 1
1 238 . 4 1 1 A 38 38 PHE HA H 38 5.141 4.461 0.680 1
1 245 . 4 1 1 A 38 38 PHE N N 38 123.897 120.615 3.282 1
1 246 . 4 1 1 A 39 39 SER H H 39 9.044 8.992 0.052 1
1 247 . 4 1 1 A 39 39 SER HA H 39 4.274 4.378 -0.104 1
1 250 . 4 1 1 A 39 39 SER N N 39 125.655 118.140 7.515 1
1 251 . 4 1 1 A 40 40 ARG H H 40 8.573 7.811 0.762 1
1 252 . 4 1 1 A 40 40 ARG HA H 40 4.101 4.917 -0.816 1
1 259 . 4 1 1 A 40 40 ARG N N 40 125.848 118.830 7.018 1
1 260 . 4 1 1 A 41 41 ALA H H 41 8.501 8.512 -0.011 1
1 261 . 4 1 1 A 41 41 ALA HA H 41 3.724 4.103 -0.379 1
1 265 . 4 1 1 A 41 41 ALA N N 41 127.729 124.423 3.306 1
1 266 . 4 1 1 A 42 42 GLY H H 42 8.619 9.803 -1.184 1
1 267 . 4 1 1 A 42 42 GLY HA2 H 42 4.486 3.837 0.649 1
1 268 . 4 1 1 A 42 42 GLY HA3 H 42 3.587 3.838 -0.251 1
1 269 . 4 1 1 A 42 42 GLY N N 42 114.579 109.850 4.729 1
1 270 . 4 1 1 A 43 43 LYS H H 43 7.535 7.788 -0.253 1
1 271 . 4 1 1 A 43 43 LYS HA H 43 4.149 4.652 -0.503 1
1 280 . 4 1 1 A 43 43 LYS N N 43 126.780 120.626 6.154 1
1 281 . 4 1 1 A 44 44 ILE H H 44 8.799 8.464 0.335 1
1 282 . 4 1 1 A 44 44 ILE HA H 44 4.035 4.462 -0.427 1
1 290 . 4 1 1 A 44 44 ILE N N 44 128.394 126.043 2.351 1
1 291 . 4 1 1 A 45 45 CYS H H 45 9.336 8.670 0.666 1
1 292 . 4 1 1 A 45 45 CYS HA H 45 5.067 4.499 0.568 1
1 295 . 4 1 1 A 45 45 CYS N N 45 123.510 126.939 -3.429 1
1 296 . 4 1 1 A 46 46 ARG H H 46 7.483 7.326 0.157 1
1 297 . 4 1 1 A 46 46 ARG HA H 46 4.337 4.871 -0.534 1
1 302 . 4 1 1 A 46 46 ARG N N 46 122.966 118.711 4.255 1
1 303 . 4 1 1 A 47 47 ILE H H 47 8.341 8.989 -0.648 1
1 304 . 4 1 1 A 47 47 ILE HA H 47 4.235 5.025 -0.790 1
1 314 . 4 1 1 A 47 47 ILE N N 47 126.231 123.387 2.844 1
1 315 . 4 1 1 A 48 48 ALA H H 48 9.123 8.903 0.220 1
1 316 . 4 1 1 A 48 48 ALA HA H 48 4.182 4.558 -0.376 1
1 320 . 4 1 1 A 48 48 ALA N N 48 130.514 130.553 -0.039 1
1 321 . 4 1 1 A 49 49 ARG H H 49 8.023 8.607 -0.584 1
1 322 . 4 1 1 A 49 49 ARG HA H 49 4.446 4.547 -0.101 1
1 327 . 4 1 1 A 49 49 ARG N N 49 119.731 122.546 -2.815 1
1 328 . 4 1 1 A 50 50 GLY H H 50 8.427 7.940 0.487 1
1 329 . 4 1 1 A 50 50 GLY HA2 H 50 3.819 4.201 -0.382 1
1 330 . 4 1 1 A 50 50 GLY HA3 H 50 3.868 4.208 -0.340 1
1 331 . 4 1 1 A 50 50 GLY N N 50 110.845 111.834 -0.989 1
1 332 . 4 1 1 A 51 51 ASP H H 51 8.616 8.580 0.036 1
1 333 . 4 1 1 A 51 51 ASP HA H 51 4.709 4.739 -0.030 1
1 336 . 4 1 1 A 51 51 ASP N N 51 122.577 124.387 -1.810 1
1 337 . 4 1 1 A 52 52 MET H H 52 7.844 7.458 0.386 1
1 338 . 4 1 1 A 52 52 MET HA H 52 4.640 4.892 -0.252 1
1 343 . 4 1 1 A 52 52 MET N N 52 120.326 123.452 -3.126 1
1 344 . 4 1 1 A 53 53 PRO HA H 53 3.950 4.561 -0.611 1
1 351 . 4 1 1 A 54 54 ASP H H 54 7.895 8.544 -0.649 1
1 352 . 4 1 1 A 54 54 ASP HA H 54 4.515 5.165 -0.650 1
1 355 . 4 1 1 A 54 54 ASP N N 54 118.468 120.435 -1.967 1
1 356 . 4 1 1 A 55 55 ASP H H 55 8.529 9.226 -0.697 1
1 357 . 4 1 1 A 55 55 ASP HA H 55 4.954 5.171 -0.217 1
1 360 . 4 1 1 A 55 55 ASP N N 55 121.071 121.188 -0.117 1
1 361 . 4 1 1 A 56 56 ARG H H 56 8.294 8.933 -0.639 1
1 362 . 4 1 1 A 56 56 ARG HA H 56 5.215 5.250 -0.035 1
1 367 . 4 1 1 A 56 56 ARG N N 56 119.468 123.356 -3.888 1
1 368 . 4 1 1 A 57 57 CYS H H 57 9.244 9.626 -0.382 1
1 369 . 4 1 1 A 57 57 CYS HA H 57 4.757 4.581 0.176 1
1 372 . 4 1 1 A 57 57 CYS N N 57 119.308 122.569 -3.261 1
1 373 . 4 1 1 A 58 58 THR H H 58 10.180 8.545 1.635 1
1 374 . 4 1 1 A 58 58 THR HA H 58 4.442 4.730 -0.288 1
1 379 . 4 1 1 A 58 58 THR N N 58 117.445 114.364 3.081 1
1 380 . 4 1 1 A 59 59 GLY H H 59 8.546 7.830 0.716 1
1 381 . 4 1 1 A 59 59 GLY HA2 H 59 4.460 3.957 0.503 1
1 382 . 4 1 1 A 59 59 GLY HA3 H 59 4.460 3.996 0.464 1
1 383 . 4 1 1 A 59 59 GLY N N 59 115.880 110.708 5.172 1
1 384 . 4 1 1 A 60 60 GLN H H 60 7.986 7.989 -0.003 1
1 385 . 4 1 1 A 60 60 GLN HA H 60 4.298 3.668 0.630 1
1 388 . 4 1 1 A 60 60 GLN N N 60 119.027 118.341 0.686 1
1 390 . 4 1 1 A 61 61 SER H H 61 6.630 7.575 -0.945 1
1 391 . 4 1 1 A 61 61 SER HA H 61 3.880 4.755 -0.875 1
1 394 . 4 1 1 A 61 61 SER N N 61 114.913 116.006 -1.093 1
1 395 . 4 1 1 A 62 62 ALA H H 62 9.027 8.994 0.033 1
1 396 . 4 1 1 A 62 62 ALA HA H 62 4.435 4.586 -0.151 1
1 400 . 4 1 1 A 62 62 ALA N N 62 129.628 127.220 2.408 1
1 401 . 4 1 1 A 63 63 ASP H H 63 8.080 7.994 0.086 1
1 402 . 4 1 1 A 63 63 ASP HA H 63 4.895 4.750 0.145 1
1 405 . 4 1 1 A 63 63 ASP N N 63 121.506 116.105 5.401 1
1 406 . 4 1 1 A 64 64 CYS H H 64 8.924 8.563 0.361 1
1 407 . 4 1 1 A 64 64 CYS HA H 64 5.403 5.180 0.223 1
1 410 . 4 1 1 A 64 64 CYS N N 64 125.936 118.605 7.331 1
1 411 . 4 1 1 A 65 65 PRO HA H 65 4.375 4.607 -0.232 1
1 418 . 4 1 1 A 66 66 ARG H H 66 8.203 8.501 -0.298 1
1 419 . 4 1 1 A 66 66 ARG HA H 66 4.362 4.893 -0.531 1
1 426 . 4 1 1 A 66 66 ARG N N 66 123.580 120.660 2.920 1
1 427 . 4 1 1 A 67 67 TYR H H 67 8.650 8.723 -0.073 1
1 428 . 4 1 1 A 67 67 TYR HA H 67 4.459 4.878 -0.419 1
1 435 . 4 1 1 A 67 67 TYR N N 67 128.872 121.851 7.021 1
1 5 . 5 1 1 A 2 2 LYS H H 2 8.331 8.488 -0.157 1
1 10 . 5 1 1 A 2 2 LYS N N 2 125.285 122.952 2.333 1
1 11 . 5 1 1 A 3 3 GLU H H 3 8.659 8.272 0.387 1
1 12 . 5 1 1 A 3 3 GLU HA H 3 4.322 4.439 -0.117 1
1 17 . 5 1 1 A 3 3 GLU N N 3 125.356 118.948 6.408 1
1 18 . 5 1 1 A 4 4 CYS H H 4 8.116 7.651 0.465 1
1 19 . 5 1 1 A 4 4 CYS HA H 4 4.975 5.445 -0.470 1
1 22 . 5 1 1 A 4 4 CYS N N 4 123.773 118.462 5.311 1
1 23 . 5 1 1 A 5 5 ASP H H 5 8.776 10.581 -1.805 1
1 24 . 5 1 1 A 5 5 ASP HA H 5 4.817 4.648 0.169 1
1 27 . 5 1 1 A 5 5 ASP N N 5 123.756 124.263 -0.507 1
1 28 . 5 1 1 A 6 6 CYS H H 6 6.975 7.341 -0.366 1
1 29 . 5 1 1 A 6 6 CYS HA H 6 4.931 4.905 0.026 1
1 32 . 5 1 1 A 6 6 CYS N N 6 116.724 114.026 2.698 1
1 33 . 5 1 1 A 7 7 SER H H 7 9.659 8.841 0.818 1
1 34 . 5 1 1 A 7 7 SER HA H 7 4.226 4.623 -0.397 1
1 37 . 5 1 1 A 7 7 SER N N 7 123.545 117.039 6.506 1
1 38 . 5 1 1 A 8 8 SER H H 8 7.862 7.779 0.083 1
1 39 . 5 1 1 A 8 8 SER HA H 8 5.137 4.964 0.173 1
1 42 . 5 1 1 A 8 8 SER N N 8 119.712 116.058 3.654 1
1 43 . 5 1 1 A 9 9 PRO HA H 9 4.559 4.602 -0.043 1
1 50 . 5 1 1 A 10 10 GLU H H 10 8.244 8.482 -0.238 1
1 51 . 5 1 1 A 10 10 GLU HA H 10 4.294 4.340 -0.046 1
1 56 . 5 1 1 A 10 10 GLU N N 10 120.855 115.876 4.979 1
1 57 . 5 1 1 A 11 11 ASN H H 11 7.260 7.755 -0.495 1
1 58 . 5 1 1 A 11 11 ASN HA H 11 4.794 5.018 -0.224 1
1 63 . 5 1 1 A 11 11 ASN N N 11 124.776 121.032 3.744 1
1 65 . 5 1 1 A 12 12 PRO HA H 12 4.704 4.424 0.280 1
1 72 . 5 1 1 A 13 13 CYS H H 13 8.931 8.408 0.523 1
1 73 . 5 1 1 A 13 13 CYS HA H 13 4.648 4.488 0.160 1
1 76 . 5 1 1 A 13 13 CYS N N 13 121.945 115.027 6.918 1
1 77 . 5 1 1 A 14 14 CYS H H 14 7.543 7.269 0.274 1
1 78 . 5 1 1 A 14 14 CYS HA H 14 5.056 5.537 -0.481 1
1 81 . 5 1 1 A 14 14 CYS N N 14 116.460 116.100 0.360 1
1 82 . 5 1 1 A 15 15 ASP H H 15 8.212 9.023 -0.811 1
1 83 . 5 1 1 A 15 15 ASP HA H 15 4.570 4.625 -0.055 1
1 86 . 5 1 1 A 15 15 ASP N N 15 125.197 125.262 -0.065 1
1 87 . 5 1 1 A 16 16 ALA H H 16 8.996 8.962 0.034 1
1 88 . 5 1 1 A 16 16 ALA HA H 16 4.148 3.944 0.204 1
1 92 . 5 1 1 A 16 16 ALA N N 16 135.341 129.650 5.691 1
1 93 . 5 1 1 A 17 17 ALA H H 17 8.669 8.051 0.618 1
1 94 . 5 1 1 A 17 17 ALA HA H 17 4.361 4.068 0.293 1
1 98 . 5 1 1 A 17 17 ALA N N 17 121.910 119.775 2.135 1
1 99 . 5 1 1 A 18 18 THR H H 18 7.743 7.797 -0.054 1
1 100 . 5 1 1 A 18 18 THR HA H 18 4.445 4.507 -0.062 1
1 105 . 5 1 1 A 18 18 THR N N 18 109.481 110.760 -1.279 1
1 106 . 5 1 1 A 19 19 CYS H H 19 8.601 8.722 -0.121 1
1 107 . 5 1 1 A 19 19 CYS HA H 19 4.642 4.161 0.481 1
1 110 . 5 1 1 A 19 19 CYS N N 19 123.176 119.811 3.365 1
1 111 . 5 1 1 A 20 20 LYS H H 20 7.964 7.682 0.282 1
1 112 . 5 1 1 A 20 20 LYS HA H 20 4.945 4.820 0.125 1
1 117 . 5 1 1 A 20 20 LYS N N 20 122.525 120.194 2.331 1
1 118 . 5 1 1 A 21 21 LEU H H 21 9.211 8.661 0.550 1
1 119 . 5 1 1 A 21 21 LEU HA H 21 4.285 4.774 -0.489 1
1 129 . 5 1 1 A 21 21 LEU N N 21 124.582 121.511 3.071 1
1 130 . 5 1 1 A 22 22 ARG H H 22 8.490 8.834 -0.344 1
1 131 . 5 1 1 A 22 22 ARG HA H 22 4.448 4.367 0.081 1
1 137 . 5 1 1 A 22 22 ARG N N 22 126.604 123.431 3.173 1
1 139 . 5 1 1 A 23 23 PRO HA H 23 4.389 4.501 -0.112 1
1 144 . 5 1 1 A 24 24 GLY H H 24 8.830 8.337 0.493 1
1 145 . 5 1 1 A 24 24 GLY HA2 H 24 4.295 3.925 0.370 1
1 146 . 5 1 1 A 24 24 GLY HA3 H 24 3.664 3.927 -0.263 1
1 147 . 5 1 1 A 24 24 GLY N N 24 117.708 106.389 11.319 1
1 148 . 5 1 1 A 25 25 ALA H H 25 7.942 7.795 0.147 1
1 149 . 5 1 1 A 25 25 ALA HA H 25 4.540 4.185 0.355 1
1 153 . 5 1 1 A 25 25 ALA N N 25 127.553 123.155 4.398 1
1 154 . 5 1 1 A 26 26 GLN H H 26 8.827 8.423 0.404 1
1 155 . 5 1 1 A 26 26 GLN HA H 26 4.113 4.068 0.045 1
1 162 . 5 1 1 A 26 26 GLN N N 26 122.086 119.281 2.805 1
1 164 . 5 1 1 A 27 27 CYS H H 27 7.805 7.211 0.594 1
1 165 . 5 1 1 A 27 27 CYS HA H 27 4.555 4.681 -0.126 1
1 168 . 5 1 1 A 27 27 CYS N N 27 117.409 113.493 3.916 1
1 169 . 5 1 1 A 28 28 GLY H H 28 9.163 8.409 0.754 1
1 170 . 5 1 1 A 28 28 GLY HA2 H 28 4.446 4.033 0.413 1
1 171 . 5 1 1 A 28 28 GLY HA3 H 28 3.574 4.046 -0.472 1
1 172 . 5 1 1 A 28 28 GLY N N 28 109.041 109.146 -0.105 1
1 173 . 5 1 1 A 29 29 GLU H H 29 7.844 7.933 -0.089 1
1 174 . 5 1 1 A 29 29 GLU HA H 29 4.782 4.774 0.008 1
1 179 . 5 1 1 A 29 29 GLU N N 29 122.174 114.676 7.498 1
1 180 . 5 1 1 A 30 30 GLY H H 30 8.391 8.374 0.017 1
1 181 . 5 1 1 A 30 30 GLY HA2 H 30 4.915 4.281 0.634 1
1 182 . 5 1 1 A 30 30 GLY HA3 H 30 3.925 4.293 -0.368 1
1 183 . 5 1 1 A 30 30 GLY N N 30 112.663 107.639 5.024 1
1 184 . 5 1 1 A 31 31 LEU H H 31 8.960 8.380 0.580 1
1 185 . 5 1 1 A 31 31 LEU HA H 31 4.354 4.180 0.174 1
1 195 . 5 1 1 A 31 31 LEU N N 31 125.039 119.769 5.270 1
1 196 . 5 1 1 A 32 32 CYS H H 32 8.467 8.801 -0.334 1
1 197 . 5 1 1 A 32 32 CYS HA H 32 5.108 4.708 0.400 1
1 200 . 5 1 1 A 32 32 CYS N N 32 119.167 113.309 5.858 1
1 201 . 5 1 1 A 33 33 CYS H H 33 7.365 7.657 -0.292 1
1 202 . 5 1 1 A 33 33 CYS HA H 33 5.291 5.758 -0.467 1
1 205 . 5 1 1 A 33 33 CYS N N 33 125.303 120.322 4.981 1
1 206 . 5 1 1 A 34 34 GLU H H 34 9.742 8.543 1.199 1
1 207 . 5 1 1 A 34 34 GLU HA H 34 4.682 4.671 0.011 1
1 212 . 5 1 1 A 34 34 GLU N N 34 132.652 125.241 7.411 1
1 213 . 5 1 1 A 35 35 GLN H H 35 9.453 9.508 -0.055 1
1 214 . 5 1 1 A 35 35 GLN HA H 35 3.999 3.891 0.108 1
1 219 . 5 1 1 A 35 35 GLN N N 35 129.593 123.915 5.678 1
1 221 . 5 1 1 A 36 36 CYS H H 36 8.492 8.392 0.100 1
1 222 . 5 1 1 A 36 36 CYS HA H 36 4.801 4.090 0.711 1
1 225 . 5 1 1 A 36 36 CYS N N 36 109.569 109.516 0.053 1
1 226 . 5 1 1 A 37 37 LYS H H 37 8.024 7.534 0.490 1
1 227 . 5 1 1 A 37 37 LYS HA H 37 4.703 4.721 -0.018 1
1 236 . 5 1 1 A 37 37 LYS N N 37 125.110 119.852 5.258 1
1 237 . 5 1 1 A 38 38 PHE H H 38 8.276 8.528 -0.252 1
1 238 . 5 1 1 A 38 38 PHE HA H 38 5.141 4.440 0.701 1
1 245 . 5 1 1 A 38 38 PHE N N 38 123.897 123.400 0.497 1
1 246 . 5 1 1 A 39 39 SER H H 39 9.044 9.017 0.027 1
1 247 . 5 1 1 A 39 39 SER HA H 39 4.274 4.642 -0.368 1
1 250 . 5 1 1 A 39 39 SER N N 39 125.655 118.359 7.296 1
1 251 . 5 1 1 A 40 40 ARG H H 40 8.573 8.454 0.119 1
1 252 . 5 1 1 A 40 40 ARG HA H 40 4.101 4.960 -0.859 1
1 259 . 5 1 1 A 40 40 ARG N N 40 125.848 120.859 4.989 1
1 260 . 5 1 1 A 41 41 ALA H H 41 8.501 8.526 -0.025 1
1 261 . 5 1 1 A 41 41 ALA HA H 41 3.724 4.385 -0.661 1
1 265 . 5 1 1 A 41 41 ALA N N 41 127.729 124.733 2.996 1
1 266 . 5 1 1 A 42 42 GLY H H 42 8.619 9.093 -0.474 1
1 267 . 5 1 1 A 42 42 GLY HA2 H 42 4.486 3.833 0.653 1
1 268 . 5 1 1 A 42 42 GLY HA3 H 42 3.587 3.838 -0.251 1
1 269 . 5 1 1 A 42 42 GLY N N 42 114.579 109.424 5.155 1
1 270 . 5 1 1 A 43 43 LYS H H 43 7.535 7.416 0.119 1
1 271 . 5 1 1 A 43 43 LYS HA H 43 4.149 4.567 -0.418 1
1 280 . 5 1 1 A 43 43 LYS N N 43 126.780 121.409 5.371 1
1 281 . 5 1 1 A 44 44 ILE H H 44 8.799 8.454 0.345 1
1 282 . 5 1 1 A 44 44 ILE HA H 44 4.035 4.491 -0.456 1
1 290 . 5 1 1 A 44 44 ILE N N 44 128.394 126.371 2.023 1
1 291 . 5 1 1 A 45 45 CYS H H 45 9.336 8.594 0.742 1
1 292 . 5 1 1 A 45 45 CYS HA H 45 5.067 4.536 0.531 1
1 295 . 5 1 1 A 45 45 CYS N N 45 123.510 127.545 -4.035 1
1 296 . 5 1 1 A 46 46 ARG H H 46 7.483 7.133 0.350 1
1 297 . 5 1 1 A 46 46 ARG HA H 46 4.337 4.982 -0.645 1
1 302 . 5 1 1 A 46 46 ARG N N 46 122.966 119.956 3.010 1
1 303 . 5 1 1 A 47 47 ILE H H 47 8.341 8.826 -0.485 1
1 304 . 5 1 1 A 47 47 ILE HA H 47 4.235 4.729 -0.494 1
1 314 . 5 1 1 A 47 47 ILE N N 47 126.231 122.000 4.231 1
1 315 . 5 1 1 A 48 48 ALA H H 48 9.123 8.715 0.408 1
1 316 . 5 1 1 A 48 48 ALA HA H 48 4.182 4.711 -0.529 1
1 320 . 5 1 1 A 48 48 ALA N N 48 130.514 124.022 6.492 1
1 321 . 5 1 1 A 49 49 ARG H H 49 8.023 8.491 -0.468 1
1 322 . 5 1 1 A 49 49 ARG HA H 49 4.446 4.421 0.025 1
1 327 . 5 1 1 A 49 49 ARG N N 49 119.731 121.155 -1.424 1
1 328 . 5 1 1 A 50 50 GLY H H 50 8.427 8.049 0.378 1
1 329 . 5 1 1 A 50 50 GLY HA2 H 50 3.819 4.177 -0.358 1
1 330 . 5 1 1 A 50 50 GLY HA3 H 50 3.868 4.179 -0.311 1
1 331 . 5 1 1 A 50 50 GLY N N 50 110.845 109.704 1.141 1
1 332 . 5 1 1 A 51 51 ASP H H 51 8.616 8.635 -0.019 1
1 333 . 5 1 1 A 51 51 ASP HA H 51 4.709 4.794 -0.085 1
1 336 . 5 1 1 A 51 51 ASP N N 51 122.577 123.247 -0.670 1
1 337 . 5 1 1 A 52 52 MET H H 52 7.844 8.335 -0.491 1
1 338 . 5 1 1 A 52 52 MET HA H 52 4.640 4.932 -0.292 1
1 343 . 5 1 1 A 52 52 MET N N 52 120.326 120.568 -0.242 1
1 344 . 5 1 1 A 53 53 PRO HA H 53 3.950 4.639 -0.689 1
1 351 . 5 1 1 A 54 54 ASP H H 54 7.895 8.539 -0.644 1
1 352 . 5 1 1 A 54 54 ASP HA H 54 4.515 5.265 -0.750 1
1 355 . 5 1 1 A 54 54 ASP N N 54 118.468 120.123 -1.655 1
1 356 . 5 1 1 A 55 55 ASP H H 55 8.529 8.569 -0.040 1
1 357 . 5 1 1 A 55 55 ASP HA H 55 4.954 5.227 -0.273 1
1 360 . 5 1 1 A 55 55 ASP N N 55 121.071 121.364 -0.293 1
1 361 . 5 1 1 A 56 56 ARG H H 56 8.294 8.749 -0.455 1
1 362 . 5 1 1 A 56 56 ARG HA H 56 5.215 5.332 -0.117 1
1 367 . 5 1 1 A 56 56 ARG N N 56 119.468 124.333 -4.865 1
1 368 . 5 1 1 A 57 57 CYS H H 57 9.244 9.871 -0.627 1
1 369 . 5 1 1 A 57 57 CYS HA H 57 4.757 4.529 0.228 1
1 372 . 5 1 1 A 57 57 CYS N N 57 119.308 121.212 -1.904 1
1 373 . 5 1 1 A 58 58 THR H H 58 10.180 8.517 1.663 1
1 374 . 5 1 1 A 58 58 THR HA H 58 4.442 4.703 -0.261 1
1 379 . 5 1 1 A 58 58 THR N N 58 117.445 114.359 3.086 1
1 380 . 5 1 1 A 59 59 GLY H H 59 8.546 7.846 0.700 1
1 381 . 5 1 1 A 59 59 GLY HA2 H 59 4.460 3.950 0.510 1
1 382 . 5 1 1 A 59 59 GLY HA3 H 59 4.460 3.978 0.482 1
1 383 . 5 1 1 A 59 59 GLY N N 59 115.880 110.998 4.882 1
1 384 . 5 1 1 A 60 60 GLN H H 60 7.986 8.294 -0.308 1
1 385 . 5 1 1 A 60 60 GLN HA H 60 4.298 3.702 0.596 1
1 388 . 5 1 1 A 60 60 GLN N N 60 119.027 118.691 0.336 1
1 390 . 5 1 1 A 61 61 SER H H 61 6.630 7.534 -0.904 1
1 391 . 5 1 1 A 61 61 SER HA H 61 3.880 4.618 -0.738 1
1 394 . 5 1 1 A 61 61 SER N N 61 114.913 115.847 -0.934 1
1 395 . 5 1 1 A 62 62 ALA H H 62 9.027 8.967 0.060 1
1 396 . 5 1 1 A 62 62 ALA HA H 62 4.435 4.623 -0.188 1
1 400 . 5 1 1 A 62 62 ALA N N 62 129.628 127.125 2.503 1
1 401 . 5 1 1 A 63 63 ASP H H 63 8.080 7.998 0.082 1
1 402 . 5 1 1 A 63 63 ASP HA H 63 4.895 4.765 0.130 1
1 405 . 5 1 1 A 63 63 ASP N N 63 121.506 116.137 5.369 1
1 406 . 5 1 1 A 64 64 CYS H H 64 8.924 8.571 0.353 1
1 407 . 5 1 1 A 64 64 CYS HA H 64 5.403 5.129 0.274 1
1 410 . 5 1 1 A 64 64 CYS N N 64 125.936 118.567 7.369 1
1 411 . 5 1 1 A 65 65 PRO HA H 65 4.375 4.584 -0.209 1
1 418 . 5 1 1 A 66 66 ARG H H 66 8.203 8.594 -0.391 1
1 419 . 5 1 1 A 66 66 ARG HA H 66 4.362 4.804 -0.442 1
1 426 . 5 1 1 A 66 66 ARG N N 66 123.580 121.619 1.961 1
1 427 . 5 1 1 A 67 67 TYR H H 67 8.650 8.563 0.087 1
1 428 . 5 1 1 A 67 67 TYR HA H 67 4.459 4.696 -0.237 1
1 435 . 5 1 1 A 67 67 TYR N N 67 128.872 120.363 8.509 1
1 5 . 6 1 1 A 2 2 LYS H H 2 8.331 8.585 -0.254 1
1 10 . 6 1 1 A 2 2 LYS N N 2 125.285 124.623 0.662 1
1 11 . 6 1 1 A 3 3 GLU H H 3 8.659 8.549 0.110 1
1 12 . 6 1 1 A 3 3 GLU HA H 3 4.322 4.501 -0.179 1
1 17 . 6 1 1 A 3 3 GLU N N 3 125.356 124.503 0.853 1
1 18 . 6 1 1 A 4 4 CYS H H 4 8.116 7.682 0.434 1
1 19 . 6 1 1 A 4 4 CYS HA H 4 4.975 5.621 -0.646 1
1 22 . 6 1 1 A 4 4 CYS N N 4 123.773 118.469 5.304 1
1 23 . 6 1 1 A 5 5 ASP H H 5 8.776 9.355 -0.579 1
1 24 . 6 1 1 A 5 5 ASP HA H 5 4.817 4.799 0.018 1
1 27 . 6 1 1 A 5 5 ASP N N 5 123.756 122.215 1.541 1
1 28 . 6 1 1 A 6 6 CYS H H 6 6.975 7.215 -0.240 1
1 29 . 6 1 1 A 6 6 CYS HA H 6 4.931 4.928 0.003 1
1 32 . 6 1 1 A 6 6 CYS N N 6 116.724 115.049 1.675 1
1 33 . 6 1 1 A 7 7 SER H H 7 9.659 8.650 1.009 1
1 34 . 6 1 1 A 7 7 SER HA H 7 4.226 4.623 -0.397 1
1 37 . 6 1 1 A 7 7 SER N N 7 123.545 116.204 7.341 1
1 38 . 6 1 1 A 8 8 SER H H 8 7.862 8.065 -0.203 1
1 39 . 6 1 1 A 8 8 SER HA H 8 5.137 4.662 0.475 1
1 42 . 6 1 1 A 8 8 SER N N 8 119.712 118.072 1.640 1
1 43 . 6 1 1 A 9 9 PRO HA H 9 4.559 4.528 0.031 1
1 50 . 6 1 1 A 10 10 GLU H H 10 8.244 8.241 0.003 1
1 51 . 6 1 1 A 10 10 GLU HA H 10 4.294 4.602 -0.308 1
1 56 . 6 1 1 A 10 10 GLU N N 10 120.855 120.089 0.766 1
1 57 . 6 1 1 A 11 11 ASN H H 11 7.260 7.057 0.203 1
1 58 . 6 1 1 A 11 11 ASN HA H 11 4.794 5.159 -0.365 1
1 63 . 6 1 1 A 11 11 ASN N N 11 124.776 117.507 7.269 1
1 65 . 6 1 1 A 12 12 PRO HA H 12 4.704 4.466 0.238 1
1 72 . 6 1 1 A 13 13 CYS H H 13 8.931 8.289 0.642 1
1 73 . 6 1 1 A 13 13 CYS HA H 13 4.648 4.699 -0.051 1
1 76 . 6 1 1 A 13 13 CYS N N 13 121.945 115.344 6.601 1
1 77 . 6 1 1 A 14 14 CYS H H 14 7.543 7.391 0.152 1
1 78 . 6 1 1 A 14 14 CYS HA H 14 5.056 4.972 0.084 1
1 81 . 6 1 1 A 14 14 CYS N N 14 116.460 118.868 -2.408 1
1 82 . 6 1 1 A 15 15 ASP H H 15 8.212 8.674 -0.462 1
1 83 . 6 1 1 A 15 15 ASP HA H 15 4.570 4.838 -0.268 1
1 86 . 6 1 1 A 15 15 ASP N N 15 125.197 124.672 0.525 1
1 87 . 6 1 1 A 16 16 ALA H H 16 8.996 8.663 0.333 1
1 88 . 6 1 1 A 16 16 ALA HA H 16 4.148 3.932 0.216 1
1 92 . 6 1 1 A 16 16 ALA N N 16 135.341 128.234 7.107 1
1 93 . 6 1 1 A 17 17 ALA H H 17 8.669 7.980 0.689 1
1 94 . 6 1 1 A 17 17 ALA HA H 17 4.361 4.034 0.327 1
1 98 . 6 1 1 A 17 17 ALA N N 17 121.910 118.901 3.009 1
1 99 . 6 1 1 A 18 18 THR H H 18 7.743 7.447 0.296 1
1 100 . 6 1 1 A 18 18 THR HA H 18 4.445 4.548 -0.103 1
1 105 . 6 1 1 A 18 18 THR N N 18 109.481 105.454 4.027 1
1 106 . 6 1 1 A 19 19 CYS H H 19 8.601 8.039 0.562 1
1 107 . 6 1 1 A 19 19 CYS HA H 19 4.642 4.239 0.403 1
1 110 . 6 1 1 A 19 19 CYS N N 19 123.176 118.233 4.943 1
1 111 . 6 1 1 A 20 20 LYS H H 20 7.964 7.492 0.472 1
1 112 . 6 1 1 A 20 20 LYS HA H 20 4.945 4.519 0.426 1
1 117 . 6 1 1 A 20 20 LYS N N 20 122.525 120.528 1.997 1
1 118 . 6 1 1 A 21 21 LEU H H 21 9.211 7.747 1.464 1
1 119 . 6 1 1 A 21 21 LEU HA H 21 4.285 4.901 -0.616 1
1 129 . 6 1 1 A 21 21 LEU N N 21 124.582 119.583 4.999 1
1 130 . 6 1 1 A 22 22 ARG H H 22 8.490 8.247 0.243 1
1 131 . 6 1 1 A 22 22 ARG HA H 22 4.448 4.738 -0.290 1
1 137 . 6 1 1 A 22 22 ARG N N 22 126.604 121.011 5.593 1
1 139 . 6 1 1 A 23 23 PRO HA H 23 4.389 4.429 -0.040 1
1 144 . 6 1 1 A 24 24 GLY H H 24 8.830 8.303 0.527 1
1 145 . 6 1 1 A 24 24 GLY HA2 H 24 4.295 3.964 0.331 1
1 146 . 6 1 1 A 24 24 GLY HA3 H 24 3.664 3.969 -0.305 1
1 147 . 6 1 1 A 24 24 GLY N N 24 117.708 106.784 10.924 1
1 148 . 6 1 1 A 25 25 ALA H H 25 7.942 7.029 0.913 1
1 149 . 6 1 1 A 25 25 ALA HA H 25 4.540 4.571 -0.031 1
1 153 . 6 1 1 A 25 25 ALA N N 25 127.553 119.004 8.549 1
1 154 . 6 1 1 A 26 26 GLN H H 26 8.827 8.887 -0.060 1
1 155 . 6 1 1 A 26 26 GLN HA H 26 4.113 4.190 -0.077 1
1 162 . 6 1 1 A 26 26 GLN N N 26 122.086 118.016 4.070 1
1 164 . 6 1 1 A 27 27 CYS H H 27 7.805 7.868 -0.063 1
1 165 . 6 1 1 A 27 27 CYS HA H 27 4.555 5.030 -0.475 1
1 168 . 6 1 1 A 27 27 CYS N N 27 117.409 116.015 1.394 1
1 169 . 6 1 1 A 28 28 GLY H H 28 9.163 8.334 0.829 1
1 170 . 6 1 1 A 28 28 GLY HA2 H 28 4.446 3.891 0.555 1
1 171 . 6 1 1 A 28 28 GLY HA3 H 28 3.574 3.894 -0.320 1
1 172 . 6 1 1 A 28 28 GLY N N 28 109.041 113.688 -4.647 1
1 173 . 6 1 1 A 29 29 GLU H H 29 7.844 7.839 0.005 1
1 174 . 6 1 1 A 29 29 GLU HA H 29 4.782 4.835 -0.053 1
1 179 . 6 1 1 A 29 29 GLU N N 29 122.174 118.557 3.617 1
1 180 . 6 1 1 A 30 30 GLY H H 30 8.391 8.496 -0.105 1
1 181 . 6 1 1 A 30 30 GLY HA2 H 30 4.915 4.230 0.685 1
1 182 . 6 1 1 A 30 30 GLY HA3 H 30 3.925 4.248 -0.323 1
1 183 . 6 1 1 A 30 30 GLY N N 30 112.663 111.107 1.556 1
1 184 . 6 1 1 A 31 31 LEU H H 31 8.960 8.789 0.171 1
1 185 . 6 1 1 A 31 31 LEU HA H 31 4.354 3.856 0.498 1
1 195 . 6 1 1 A 31 31 LEU N N 31 125.039 119.858 5.181 1
1 196 . 6 1 1 A 32 32 CYS H H 32 8.467 8.315 0.152 1
1 197 . 6 1 1 A 32 32 CYS HA H 32 5.108 4.644 0.464 1
1 200 . 6 1 1 A 32 32 CYS N N 32 119.167 113.162 6.005 1
1 201 . 6 1 1 A 33 33 CYS H H 33 7.365 7.607 -0.242 1
1 202 . 6 1 1 A 33 33 CYS HA H 33 5.291 5.843 -0.552 1
1 205 . 6 1 1 A 33 33 CYS N N 33 125.303 119.994 5.309 1
1 206 . 6 1 1 A 34 34 GLU H H 34 9.742 8.833 0.909 1
1 207 . 6 1 1 A 34 34 GLU HA H 34 4.682 4.505 0.177 1
1 212 . 6 1 1 A 34 34 GLU N N 34 132.652 126.979 5.673 1
1 213 . 6 1 1 A 35 35 GLN H H 35 9.453 9.470 -0.017 1
1 214 . 6 1 1 A 35 35 GLN HA H 35 3.999 3.946 0.053 1
1 219 . 6 1 1 A 35 35 GLN N N 35 129.593 126.469 3.124 1
1 221 . 6 1 1 A 36 36 CYS H H 36 8.492 8.464 0.028 1
1 222 . 6 1 1 A 36 36 CYS HA H 36 4.801 4.208 0.593 1
1 225 . 6 1 1 A 36 36 CYS N N 36 109.569 109.216 0.353 1
1 226 . 6 1 1 A 37 37 LYS H H 37 8.024 7.527 0.497 1
1 227 . 6 1 1 A 37 37 LYS HA H 37 4.703 4.916 -0.213 1
1 236 . 6 1 1 A 37 37 LYS N N 37 125.110 119.336 5.774 1
1 237 . 6 1 1 A 38 38 PHE H H 38 8.276 8.857 -0.581 1
1 238 . 6 1 1 A 38 38 PHE HA H 38 5.141 4.482 0.659 1
1 245 . 6 1 1 A 38 38 PHE N N 38 123.897 120.312 3.585 1
1 246 . 6 1 1 A 39 39 SER H H 39 9.044 8.669 0.375 1
1 247 . 6 1 1 A 39 39 SER HA H 39 4.274 4.493 -0.219 1
1 250 . 6 1 1 A 39 39 SER N N 39 125.655 119.454 6.201 1
1 251 . 6 1 1 A 40 40 ARG H H 40 8.573 8.482 0.091 1
1 252 . 6 1 1 A 40 40 ARG HA H 40 4.101 4.513 -0.412 1
1 259 . 6 1 1 A 40 40 ARG N N 40 125.848 121.801 4.047 1
1 260 . 6 1 1 A 41 41 ALA H H 41 8.501 8.485 0.016 1
1 261 . 6 1 1 A 41 41 ALA HA H 41 3.724 4.298 -0.574 1
1 265 . 6 1 1 A 41 41 ALA N N 41 127.729 124.352 3.377 1
1 266 . 6 1 1 A 42 42 GLY H H 42 8.619 9.546 -0.927 1
1 267 . 6 1 1 A 42 42 GLY HA2 H 42 4.486 3.862 0.624 1
1 268 . 6 1 1 A 42 42 GLY HA3 H 42 3.587 3.866 -0.279 1
1 269 . 6 1 1 A 42 42 GLY N N 42 114.579 109.449 5.130 1
1 270 . 6 1 1 A 43 43 LYS H H 43 7.535 7.452 0.083 1
1 271 . 6 1 1 A 43 43 LYS HA H 43 4.149 4.372 -0.223 1
1 280 . 6 1 1 A 43 43 LYS N N 43 126.780 121.969 4.811 1
1 281 . 6 1 1 A 44 44 ILE H H 44 8.799 8.482 0.317 1
1 282 . 6 1 1 A 44 44 ILE HA H 44 4.035 4.331 -0.296 1
1 290 . 6 1 1 A 44 44 ILE N N 44 128.394 126.874 1.520 1
1 291 . 6 1 1 A 45 45 CYS H H 45 9.336 8.644 0.692 1
1 292 . 6 1 1 A 45 45 CYS HA H 45 5.067 4.467 0.600 1
1 295 . 6 1 1 A 45 45 CYS N N 45 123.510 127.416 -3.906 1
1 296 . 6 1 1 A 46 46 ARG H H 46 7.483 7.542 -0.059 1
1 297 . 6 1 1 A 46 46 ARG HA H 46 4.337 4.832 -0.495 1
1 302 . 6 1 1 A 46 46 ARG N N 46 122.966 118.131 4.835 1
1 303 . 6 1 1 A 47 47 ILE H H 47 8.341 9.045 -0.704 1
1 304 . 6 1 1 A 47 47 ILE HA H 47 4.235 4.769 -0.534 1
1 314 . 6 1 1 A 47 47 ILE N N 47 126.231 126.246 -0.015 1
1 315 . 6 1 1 A 48 48 ALA H H 48 9.123 9.009 0.114 1
1 316 . 6 1 1 A 48 48 ALA HA H 48 4.182 5.102 -0.920 1
1 320 . 6 1 1 A 48 48 ALA N N 48 130.514 132.368 -1.854 1
1 321 . 6 1 1 A 49 49 ARG H H 49 8.023 8.478 -0.455 1
1 322 . 6 1 1 A 49 49 ARG HA H 49 4.446 4.557 -0.111 1
1 327 . 6 1 1 A 49 49 ARG N N 49 119.731 123.697 -3.966 1
1 328 . 6 1 1 A 50 50 GLY H H 50 8.427 8.460 -0.033 1
1 329 . 6 1 1 A 50 50 GLY HA2 H 50 3.819 4.086 -0.267 1
1 330 . 6 1 1 A 50 50 GLY HA3 H 50 3.868 4.090 -0.222 1
1 331 . 6 1 1 A 50 50 GLY N N 50 110.845 107.809 3.036 1
1 332 . 6 1 1 A 51 51 ASP H H 51 8.616 8.621 -0.005 1
1 333 . 6 1 1 A 51 51 ASP HA H 51 4.709 4.499 0.210 1
1 336 . 6 1 1 A 51 51 ASP N N 51 122.577 122.460 0.117 1
1 337 . 6 1 1 A 52 52 MET H H 52 7.844 7.749 0.095 1
1 338 . 6 1 1 A 52 52 MET HA H 52 4.640 4.537 0.103 1
1 343 . 6 1 1 A 52 52 MET N N 52 120.326 119.270 1.056 1
1 344 . 6 1 1 A 53 53 PRO HA H 53 3.950 4.488 -0.538 1
1 351 . 6 1 1 A 54 54 ASP H H 54 7.895 8.347 -0.452 1
1 352 . 6 1 1 A 54 54 ASP HA H 54 4.515 5.037 -0.522 1
1 355 . 6 1 1 A 54 54 ASP N N 54 118.468 119.388 -0.920 1
1 356 . 6 1 1 A 55 55 ASP H H 55 8.529 8.783 -0.254 1
1 357 . 6 1 1 A 55 55 ASP HA H 55 4.954 5.676 -0.722 1
1 360 . 6 1 1 A 55 55 ASP N N 55 121.071 118.829 2.242 1
1 361 . 6 1 1 A 56 56 ARG H H 56 8.294 9.033 -0.739 1
1 362 . 6 1 1 A 56 56 ARG HA H 56 5.215 5.392 -0.177 1
1 367 . 6 1 1 A 56 56 ARG N N 56 119.468 122.750 -3.282 1
1 368 . 6 1 1 A 57 57 CYS H H 57 9.244 9.374 -0.130 1
1 369 . 6 1 1 A 57 57 CYS HA H 57 4.757 4.582 0.175 1
1 372 . 6 1 1 A 57 57 CYS N N 57 119.308 122.202 -2.894 1
1 373 . 6 1 1 A 58 58 THR H H 58 10.180 8.492 1.688 1
1 374 . 6 1 1 A 58 58 THR HA H 58 4.442 4.737 -0.295 1
1 379 . 6 1 1 A 58 58 THR N N 58 117.445 115.117 2.328 1
1 380 . 6 1 1 A 59 59 GLY H H 59 8.546 7.798 0.748 1
1 381 . 6 1 1 A 59 59 GLY HA2 H 59 4.460 3.939 0.521 1
1 382 . 6 1 1 A 59 59 GLY HA3 H 59 4.460 3.944 0.516 1
1 383 . 6 1 1 A 59 59 GLY N N 59 115.880 109.915 5.965 1
1 384 . 6 1 1 A 60 60 GLN H H 60 7.986 7.823 0.163 1
1 385 . 6 1 1 A 60 60 GLN HA H 60 4.298 4.811 -0.513 1
1 388 . 6 1 1 A 60 60 GLN N N 60 119.027 117.513 1.514 1
1 390 . 6 1 1 A 61 61 SER H H 61 6.630 7.630 -1.000 1
1 391 . 6 1 1 A 61 61 SER HA H 61 3.880 4.495 -0.615 1
1 394 . 6 1 1 A 61 61 SER N N 61 114.913 115.499 -0.586 1
1 395 . 6 1 1 A 62 62 ALA H H 62 9.027 8.159 0.868 1
1 396 . 6 1 1 A 62 62 ALA HA H 62 4.435 3.771 0.664 1
1 400 . 6 1 1 A 62 62 ALA N N 62 129.628 126.589 3.039 1
1 401 . 6 1 1 A 63 63 ASP H H 63 8.080 7.814 0.266 1
1 402 . 6 1 1 A 63 63 ASP HA H 63 4.895 4.656 0.239 1
1 405 . 6 1 1 A 63 63 ASP N N 63 121.506 115.732 5.774 1
1 406 . 6 1 1 A 64 64 CYS H H 64 8.924 8.518 0.406 1
1 407 . 6 1 1 A 64 64 CYS HA H 64 5.403 5.148 0.255 1
1 410 . 6 1 1 A 64 64 CYS N N 64 125.936 118.562 7.374 1
1 411 . 6 1 1 A 65 65 PRO HA H 65 4.375 4.571 -0.196 1
1 418 . 6 1 1 A 66 66 ARG H H 66 8.203 8.506 -0.303 1
1 419 . 6 1 1 A 66 66 ARG HA H 66 4.362 4.869 -0.507 1
1 426 . 6 1 1 A 66 66 ARG N N 66 123.580 120.491 3.089 1
1 427 . 6 1 1 A 67 67 TYR H H 67 8.650 8.798 -0.148 1
1 428 . 6 1 1 A 67 67 TYR HA H 67 4.459 4.727 -0.268 1
1 435 . 6 1 1 A 67 67 TYR N N 67 128.872 120.193 8.679 1
1 5 . 7 1 1 A 2 2 LYS H H 2 8.331 8.269 0.062 1
1 10 . 7 1 1 A 2 2 LYS N N 2 125.285 119.641 5.644 1
1 11 . 7 1 1 A 3 3 GLU H H 3 8.659 8.876 -0.217 1
1 12 . 7 1 1 A 3 3 GLU HA H 3 4.322 4.554 -0.232 1
1 17 . 7 1 1 A 3 3 GLU N N 3 125.356 122.723 2.633 1
1 18 . 7 1 1 A 4 4 CYS H H 4 8.116 7.900 0.216 1
1 19 . 7 1 1 A 4 4 CYS HA H 4 4.975 5.675 -0.700 1
1 22 . 7 1 1 A 4 4 CYS N N 4 123.773 117.281 6.492 1
1 23 . 7 1 1 A 5 5 ASP H H 5 8.776 9.605 -0.829 1
1 24 . 7 1 1 A 5 5 ASP HA H 5 4.817 4.704 0.113 1
1 27 . 7 1 1 A 5 5 ASP N N 5 123.756 123.690 0.066 1
1 28 . 7 1 1 A 6 6 CYS H H 6 6.975 7.448 -0.473 1
1 29 . 7 1 1 A 6 6 CYS HA H 6 4.931 5.018 -0.087 1
1 32 . 7 1 1 A 6 6 CYS N N 6 116.724 113.767 2.957 1
1 33 . 7 1 1 A 7 7 SER H H 7 9.659 8.604 1.055 1
1 34 . 7 1 1 A 7 7 SER HA H 7 4.226 4.709 -0.483 1
1 37 . 7 1 1 A 7 7 SER N N 7 123.545 116.186 7.359 1
1 38 . 7 1 1 A 8 8 SER H H 8 7.862 7.725 0.137 1
1 39 . 7 1 1 A 8 8 SER HA H 8 5.137 4.884 0.253 1
1 42 . 7 1 1 A 8 8 SER N N 8 119.712 117.583 2.129 1
1 43 . 7 1 1 A 9 9 PRO HA H 9 4.559 4.578 -0.019 1
1 50 . 7 1 1 A 10 10 GLU H H 10 8.244 8.621 -0.377 1
1 51 . 7 1 1 A 10 10 GLU HA H 10 4.294 4.272 0.022 1
1 56 . 7 1 1 A 10 10 GLU N N 10 120.855 117.232 3.623 1
1 57 . 7 1 1 A 11 11 ASN H H 11 7.260 7.920 -0.660 1
1 58 . 7 1 1 A 11 11 ASN HA H 11 4.794 4.970 -0.176 1
1 63 . 7 1 1 A 11 11 ASN N N 11 124.776 122.152 2.624 1
1 65 . 7 1 1 A 12 12 PRO HA H 12 4.704 4.450 0.254 1
1 72 . 7 1 1 A 13 13 CYS H H 13 8.931 8.262 0.669 1
1 73 . 7 1 1 A 13 13 CYS HA H 13 4.648 4.383 0.265 1
1 76 . 7 1 1 A 13 13 CYS N N 13 121.945 114.977 6.968 1
1 77 . 7 1 1 A 14 14 CYS H H 14 7.543 7.221 0.322 1
1 78 . 7 1 1 A 14 14 CYS HA H 14 5.056 5.651 -0.595 1
1 81 . 7 1 1 A 14 14 CYS N N 14 116.460 116.132 0.328 1
1 82 . 7 1 1 A 15 15 ASP H H 15 8.212 9.060 -0.848 1
1 83 . 7 1 1 A 15 15 ASP HA H 15 4.570 4.600 -0.030 1
1 86 . 7 1 1 A 15 15 ASP N N 15 125.197 125.242 -0.045 1
1 87 . 7 1 1 A 16 16 ALA H H 16 8.996 9.030 -0.034 1
1 88 . 7 1 1 A 16 16 ALA HA H 16 4.148 4.000 0.148 1
1 92 . 7 1 1 A 16 16 ALA N N 16 135.341 129.553 5.788 1
1 93 . 7 1 1 A 17 17 ALA H H 17 8.669 8.021 0.648 1
1 94 . 7 1 1 A 17 17 ALA HA H 17 4.361 4.127 0.234 1
1 98 . 7 1 1 A 17 17 ALA N N 17 121.910 119.816 2.094 1
1 99 . 7 1 1 A 18 18 THR H H 18 7.743 7.592 0.151 1
1 100 . 7 1 1 A 18 18 THR HA H 18 4.445 4.471 -0.026 1
1 105 . 7 1 1 A 18 18 THR N N 18 109.481 105.707 3.774 1
1 106 . 7 1 1 A 19 19 CYS H H 19 8.601 7.925 0.676 1
1 107 . 7 1 1 A 19 19 CYS HA H 19 4.642 4.217 0.425 1
1 110 . 7 1 1 A 19 19 CYS N N 19 123.176 118.616 4.560 1
1 111 . 7 1 1 A 20 20 LYS H H 20 7.964 7.267 0.697 1
1 112 . 7 1 1 A 20 20 LYS HA H 20 4.945 4.868 0.077 1
1 117 . 7 1 1 A 20 20 LYS N N 20 122.525 120.698 1.827 1
1 118 . 7 1 1 A 21 21 LEU H H 21 9.211 8.659 0.552 1
1 119 . 7 1 1 A 21 21 LEU HA H 21 4.285 4.793 -0.508 1
1 129 . 7 1 1 A 21 21 LEU N N 21 124.582 121.396 3.186 1
1 130 . 7 1 1 A 22 22 ARG H H 22 8.490 8.802 -0.312 1
1 131 . 7 1 1 A 22 22 ARG HA H 22 4.448 4.366 0.082 1
1 137 . 7 1 1 A 22 22 ARG N N 22 126.604 124.047 2.557 1
1 139 . 7 1 1 A 23 23 PRO HA H 23 4.389 4.506 -0.117 1
1 144 . 7 1 1 A 24 24 GLY H H 24 8.830 8.304 0.526 1
1 145 . 7 1 1 A 24 24 GLY HA2 H 24 4.295 3.876 0.419 1
1 146 . 7 1 1 A 24 24 GLY HA3 H 24 3.664 3.879 -0.215 1
1 147 . 7 1 1 A 24 24 GLY N N 24 117.708 106.435 11.273 1
1 148 . 7 1 1 A 25 25 ALA H H 25 7.942 7.838 0.104 1
1 149 . 7 1 1 A 25 25 ALA HA H 25 4.540 4.260 0.280 1
1 153 . 7 1 1 A 25 25 ALA N N 25 127.553 122.728 4.825 1
1 154 . 7 1 1 A 26 26 GLN H H 26 8.827 8.454 0.373 1
1 155 . 7 1 1 A 26 26 GLN HA H 26 4.113 3.977 0.136 1
1 162 . 7 1 1 A 26 26 GLN N N 26 122.086 118.175 3.911 1
1 164 . 7 1 1 A 27 27 CYS H H 27 7.805 8.031 -0.226 1
1 165 . 7 1 1 A 27 27 CYS HA H 27 4.555 4.934 -0.379 1
1 168 . 7 1 1 A 27 27 CYS N N 27 117.409 115.424 1.985 1
1 169 . 7 1 1 A 28 28 GLY H H 28 9.163 8.348 0.815 1
1 170 . 7 1 1 A 28 28 GLY HA2 H 28 4.446 3.967 0.479 1
1 171 . 7 1 1 A 28 28 GLY HA3 H 28 3.574 3.983 -0.409 1
1 172 . 7 1 1 A 28 28 GLY N N 28 109.041 113.838 -4.797 1
1 173 . 7 1 1 A 29 29 GLU H H 29 7.844 7.980 -0.136 1
1 174 . 7 1 1 A 29 29 GLU HA H 29 4.782 4.854 -0.072 1
1 179 . 7 1 1 A 29 29 GLU N N 29 122.174 115.121 7.053 1
1 180 . 7 1 1 A 30 30 GLY H H 30 8.391 8.435 -0.044 1
1 181 . 7 1 1 A 30 30 GLY HA2 H 30 4.915 4.276 0.639 1
1 182 . 7 1 1 A 30 30 GLY HA3 H 30 3.925 4.297 -0.372 1
1 183 . 7 1 1 A 30 30 GLY N N 30 112.663 107.671 4.992 1
1 184 . 7 1 1 A 31 31 LEU H H 31 8.960 8.861 0.099 1
1 185 . 7 1 1 A 31 31 LEU HA H 31 4.354 3.948 0.406 1
1 195 . 7 1 1 A 31 31 LEU N N 31 125.039 120.475 4.564 1
1 196 . 7 1 1 A 32 32 CYS H H 32 8.467 8.524 -0.057 1
1 197 . 7 1 1 A 32 32 CYS HA H 32 5.108 4.724 0.384 1
1 200 . 7 1 1 A 32 32 CYS N N 32 119.167 113.699 5.468 1
1 201 . 7 1 1 A 33 33 CYS H H 33 7.365 7.273 0.092 1
1 202 . 7 1 1 A 33 33 CYS HA H 33 5.291 5.762 -0.471 1
1 205 . 7 1 1 A 33 33 CYS N N 33 125.303 120.305 4.998 1
1 206 . 7 1 1 A 34 34 GLU H H 34 9.742 8.606 1.136 1
1 207 . 7 1 1 A 34 34 GLU HA H 34 4.682 4.653 0.029 1
1 212 . 7 1 1 A 34 34 GLU N N 34 132.652 125.696 6.956 1
1 213 . 7 1 1 A 35 35 GLN H H 35 9.453 9.485 -0.032 1
1 214 . 7 1 1 A 35 35 GLN HA H 35 3.999 3.916 0.083 1
1 219 . 7 1 1 A 35 35 GLN N N 35 129.593 124.599 4.994 1
1 221 . 7 1 1 A 36 36 CYS H H 36 8.492 8.408 0.084 1
1 222 . 7 1 1 A 36 36 CYS HA H 36 4.801 4.524 0.277 1
1 225 . 7 1 1 A 36 36 CYS N N 36 109.569 109.243 0.326 1
1 226 . 7 1 1 A 37 37 LYS H H 37 8.024 7.650 0.374 1
1 227 . 7 1 1 A 37 37 LYS HA H 37 4.703 4.628 0.075 1
1 236 . 7 1 1 A 37 37 LYS N N 37 125.110 119.722 5.388 1
1 237 . 7 1 1 A 38 38 PHE H H 38 8.276 8.468 -0.192 1
1 238 . 7 1 1 A 38 38 PHE HA H 38 5.141 4.512 0.629 1
1 245 . 7 1 1 A 38 38 PHE N N 38 123.897 121.773 2.124 1
1 246 . 7 1 1 A 39 39 SER H H 39 9.044 8.981 0.063 1
1 247 . 7 1 1 A 39 39 SER HA H 39 4.274 4.529 -0.255 1
1 250 . 7 1 1 A 39 39 SER N N 39 125.655 118.765 6.890 1
1 251 . 7 1 1 A 40 40 ARG H H 40 8.573 8.379 0.194 1
1 252 . 7 1 1 A 40 40 ARG HA H 40 4.101 4.403 -0.302 1
1 259 . 7 1 1 A 40 40 ARG N N 40 125.848 122.405 3.443 1
1 260 . 7 1 1 A 41 41 ALA H H 41 8.501 8.502 -0.001 1
1 261 . 7 1 1 A 41 41 ALA HA H 41 3.724 3.996 -0.272 1
1 265 . 7 1 1 A 41 41 ALA N N 41 127.729 125.013 2.716 1
1 266 . 7 1 1 A 42 42 GLY H H 42 8.619 9.544 -0.925 1
1 267 . 7 1 1 A 42 42 GLY HA2 H 42 4.486 3.822 0.664 1
1 268 . 7 1 1 A 42 42 GLY HA3 H 42 3.587 3.825 -0.238 1
1 269 . 7 1 1 A 42 42 GLY N N 42 114.579 109.760 4.819 1
1 270 . 7 1 1 A 43 43 LYS H H 43 7.535 7.828 -0.293 1
1 271 . 7 1 1 A 43 43 LYS HA H 43 4.149 4.545 -0.396 1
1 280 . 7 1 1 A 43 43 LYS N N 43 126.780 121.073 5.707 1
1 281 . 7 1 1 A 44 44 ILE H H 44 8.799 8.461 0.338 1
1 282 . 7 1 1 A 44 44 ILE HA H 44 4.035 4.484 -0.449 1
1 290 . 7 1 1 A 44 44 ILE N N 44 128.394 126.112 2.282 1
1 291 . 7 1 1 A 45 45 CYS H H 45 9.336 8.667 0.669 1
1 292 . 7 1 1 A 45 45 CYS HA H 45 5.067 4.500 0.567 1
1 295 . 7 1 1 A 45 45 CYS N N 45 123.510 126.965 -3.455 1
1 296 . 7 1 1 A 46 46 ARG H H 46 7.483 7.275 0.208 1
1 297 . 7 1 1 A 46 46 ARG HA H 46 4.337 4.982 -0.645 1
1 302 . 7 1 1 A 46 46 ARG N N 46 122.966 119.636 3.330 1
1 303 . 7 1 1 A 47 47 ILE H H 47 8.341 8.446 -0.105 1
1 304 . 7 1 1 A 47 47 ILE HA H 47 4.235 4.197 0.038 1
1 314 . 7 1 1 A 47 47 ILE N N 47 126.231 126.452 -0.221 1
1 315 . 7 1 1 A 48 48 ALA H H 48 9.123 8.245 0.878 1
1 316 . 7 1 1 A 48 48 ALA HA H 48 4.182 4.817 -0.635 1
1 320 . 7 1 1 A 48 48 ALA N N 48 130.514 126.419 4.095 1
1 321 . 7 1 1 A 49 49 ARG H H 49 8.023 9.006 -0.983 1
1 322 . 7 1 1 A 49 49 ARG HA H 49 4.446 4.430 0.016 1
1 327 . 7 1 1 A 49 49 ARG N N 49 119.731 122.200 -2.469 1
1 328 . 7 1 1 A 50 50 GLY H H 50 8.427 7.386 1.041 1
1 329 . 7 1 1 A 50 50 GLY HA2 H 50 3.819 4.052 -0.233 1
1 330 . 7 1 1 A 50 50 GLY HA3 H 50 3.868 4.056 -0.188 1
1 331 . 7 1 1 A 50 50 GLY N N 50 110.845 105.089 5.756 1
1 332 . 7 1 1 A 51 51 ASP H H 51 8.616 8.258 0.358 1
1 333 . 7 1 1 A 51 51 ASP HA H 51 4.709 4.358 0.351 1
1 336 . 7 1 1 A 51 51 ASP N N 51 122.577 126.008 -3.431 1
1 337 . 7 1 1 A 52 52 MET H H 52 7.844 7.642 0.202 1
1 338 . 7 1 1 A 52 52 MET HA H 52 4.640 4.930 -0.290 1
1 343 . 7 1 1 A 52 52 MET N N 52 120.326 114.147 6.179 1
1 344 . 7 1 1 A 53 53 PRO HA H 53 3.950 4.650 -0.700 1
1 351 . 7 1 1 A 54 54 ASP H H 54 7.895 8.561 -0.666 1
1 352 . 7 1 1 A 54 54 ASP HA H 54 4.515 4.981 -0.466 1
1 355 . 7 1 1 A 54 54 ASP N N 54 118.468 121.170 -2.702 1
1 356 . 7 1 1 A 55 55 ASP H H 55 8.529 8.679 -0.150 1
1 357 . 7 1 1 A 55 55 ASP HA H 55 4.954 5.336 -0.382 1
1 360 . 7 1 1 A 55 55 ASP N N 55 121.071 120.054 1.017 1
1 361 . 7 1 1 A 56 56 ARG H H 56 8.294 8.920 -0.626 1
1 362 . 7 1 1 A 56 56 ARG HA H 56 5.215 5.389 -0.174 1
1 367 . 7 1 1 A 56 56 ARG N N 56 119.468 124.776 -5.308 1
1 368 . 7 1 1 A 57 57 CYS H H 57 9.244 9.572 -0.328 1
1 369 . 7 1 1 A 57 57 CYS HA H 57 4.757 4.558 0.199 1
1 372 . 7 1 1 A 57 57 CYS N N 57 119.308 121.301 -1.993 1
1 373 . 7 1 1 A 58 58 THR H H 58 10.180 8.561 1.619 1
1 374 . 7 1 1 A 58 58 THR HA H 58 4.442 4.489 -0.047 1
1 379 . 7 1 1 A 58 58 THR N N 58 117.445 115.184 2.261 1
1 380 . 7 1 1 A 59 59 GLY H H 59 8.546 7.848 0.698 1
1 381 . 7 1 1 A 59 59 GLY HA2 H 59 4.460 3.953 0.507 1
1 382 . 7 1 1 A 59 59 GLY HA3 H 59 4.460 3.971 0.489 1
1 383 . 7 1 1 A 59 59 GLY N N 59 115.880 110.262 5.618 1
1 384 . 7 1 1 A 60 60 GLN H H 60 7.986 7.579 0.407 1
1 385 . 7 1 1 A 60 60 GLN HA H 60 4.298 4.061 0.237 1
1 388 . 7 1 1 A 60 60 GLN N N 60 119.027 118.046 0.981 1
1 390 . 7 1 1 A 61 61 SER H H 61 6.630 6.944 -0.314 1
1 391 . 7 1 1 A 61 61 SER HA H 61 3.880 4.154 -0.274 1
1 394 . 7 1 1 A 61 61 SER N N 61 114.913 115.700 -0.787 1
1 395 . 7 1 1 A 62 62 ALA H H 62 9.027 8.736 0.291 1
1 396 . 7 1 1 A 62 62 ALA HA H 62 4.435 4.617 -0.182 1
1 400 . 7 1 1 A 62 62 ALA N N 62 129.628 127.441 2.187 1
1 401 . 7 1 1 A 63 63 ASP H H 63 8.080 7.819 0.261 1
1 402 . 7 1 1 A 63 63 ASP HA H 63 4.895 4.962 -0.067 1
1 405 . 7 1 1 A 63 63 ASP N N 63 121.506 115.998 5.508 1
1 406 . 7 1 1 A 64 64 CYS H H 64 8.924 8.699 0.225 1
1 407 . 7 1 1 A 64 64 CYS HA H 64 5.403 5.209 0.194 1
1 410 . 7 1 1 A 64 64 CYS N N 64 125.936 118.826 7.110 1
1 411 . 7 1 1 A 65 65 PRO HA H 65 4.375 4.677 -0.302 1
1 418 . 7 1 1 A 66 66 ARG H H 66 8.203 8.761 -0.558 1
1 419 . 7 1 1 A 66 66 ARG HA H 66 4.362 4.503 -0.141 1
1 426 . 7 1 1 A 66 66 ARG N N 66 123.580 120.995 2.585 1
1 427 . 7 1 1 A 67 67 TYR H H 67 8.650 8.074 0.576 1
1 428 . 7 1 1 A 67 67 TYR HA H 67 4.459 4.734 -0.275 1
1 435 . 7 1 1 A 67 67 TYR N N 67 128.872 120.384 8.488 1
1 5 . 8 1 1 A 2 2 LYS H H 2 8.331 8.371 -0.040 1
1 10 . 8 1 1 A 2 2 LYS N N 2 125.285 120.455 4.830 1
1 11 . 8 1 1 A 3 3 GLU H H 3 8.659 8.805 -0.146 1
1 12 . 8 1 1 A 3 3 GLU HA H 3 4.322 4.598 -0.276 1
1 17 . 8 1 1 A 3 3 GLU N N 3 125.356 118.308 7.048 1
1 18 . 8 1 1 A 4 4 CYS H H 4 8.116 7.759 0.357 1
1 19 . 8 1 1 A 4 4 CYS HA H 4 4.975 5.543 -0.568 1
1 22 . 8 1 1 A 4 4 CYS N N 4 123.773 118.579 5.194 1
1 23 . 8 1 1 A 5 5 ASP H H 5 8.776 9.288 -0.512 1
1 24 . 8 1 1 A 5 5 ASP HA H 5 4.817 4.812 0.005 1
1 27 . 8 1 1 A 5 5 ASP N N 5 123.756 124.513 -0.757 1
1 28 . 8 1 1 A 6 6 CYS H H 6 6.975 7.265 -0.290 1
1 29 . 8 1 1 A 6 6 CYS HA H 6 4.931 4.964 -0.033 1
1 32 . 8 1 1 A 6 6 CYS N N 6 116.724 114.677 2.047 1
1 33 . 8 1 1 A 7 7 SER H H 7 9.659 8.689 0.970 1
1 34 . 8 1 1 A 7 7 SER HA H 7 4.226 4.669 -0.443 1
1 37 . 8 1 1 A 7 7 SER N N 7 123.545 117.540 6.005 1
1 38 . 8 1 1 A 8 8 SER H H 8 7.862 8.005 -0.143 1
1 39 . 8 1 1 A 8 8 SER HA H 8 5.137 4.862 0.275 1
1 42 . 8 1 1 A 8 8 SER N N 8 119.712 116.327 3.385 1
1 43 . 8 1 1 A 9 9 PRO HA H 9 4.559 4.588 -0.029 1
1 50 . 8 1 1 A 10 10 GLU H H 10 8.244 8.398 -0.154 1
1 51 . 8 1 1 A 10 10 GLU HA H 10 4.294 4.448 -0.154 1
1 56 . 8 1 1 A 10 10 GLU N N 10 120.855 116.775 4.080 1
1 57 . 8 1 1 A 11 11 ASN H H 11 7.260 7.392 -0.132 1
1 58 . 8 1 1 A 11 11 ASN HA H 11 4.794 4.934 -0.140 1
1 63 . 8 1 1 A 11 11 ASN N N 11 124.776 119.168 5.608 1
1 65 . 8 1 1 A 12 12 PRO HA H 12 4.704 4.452 0.252 1
1 72 . 8 1 1 A 13 13 CYS H H 13 8.931 8.737 0.194 1
1 73 . 8 1 1 A 13 13 CYS HA H 13 4.648 4.613 0.035 1
1 76 . 8 1 1 A 13 13 CYS N N 13 121.945 113.994 7.951 1
1 77 . 8 1 1 A 14 14 CYS H H 14 7.543 7.561 -0.018 1
1 78 . 8 1 1 A 14 14 CYS HA H 14 5.056 5.070 -0.014 1
1 81 . 8 1 1 A 14 14 CYS N N 14 116.460 120.733 -4.273 1
1 82 . 8 1 1 A 15 15 ASP H H 15 8.212 9.129 -0.917 1
1 83 . 8 1 1 A 15 15 ASP HA H 15 4.570 4.998 -0.428 1
1 86 . 8 1 1 A 15 15 ASP N N 15 125.197 125.317 -0.120 1
1 87 . 8 1 1 A 16 16 ALA H H 16 8.996 8.858 0.138 1
1 88 . 8 1 1 A 16 16 ALA HA H 16 4.148 3.931 0.217 1
1 92 . 8 1 1 A 16 16 ALA N N 16 135.341 128.331 7.010 1
1 93 . 8 1 1 A 17 17 ALA H H 17 8.669 7.840 0.829 1
1 94 . 8 1 1 A 17 17 ALA HA H 17 4.361 4.096 0.265 1
1 98 . 8 1 1 A 17 17 ALA N N 17 121.910 119.397 2.513 1
1 99 . 8 1 1 A 18 18 THR H H 18 7.743 7.485 0.258 1
1 100 . 8 1 1 A 18 18 THR HA H 18 4.445 4.473 -0.028 1
1 105 . 8 1 1 A 18 18 THR N N 18 109.481 109.412 0.069 1
1 106 . 8 1 1 A 19 19 CYS H H 19 8.601 7.823 0.778 1
1 107 . 8 1 1 A 19 19 CYS HA H 19 4.642 4.224 0.418 1
1 110 . 8 1 1 A 19 19 CYS N N 19 123.176 119.960 3.216 1
1 111 . 8 1 1 A 20 20 LYS H H 20 7.964 7.228 0.736 1
1 112 . 8 1 1 A 20 20 LYS HA H 20 4.945 4.841 0.104 1
1 117 . 8 1 1 A 20 20 LYS N N 20 122.525 120.423 2.102 1
1 118 . 8 1 1 A 21 21 LEU H H 21 9.211 8.609 0.602 1
1 119 . 8 1 1 A 21 21 LEU HA H 21 4.285 4.855 -0.570 1
1 129 . 8 1 1 A 21 21 LEU N N 21 124.582 120.795 3.787 1
1 130 . 8 1 1 A 22 22 ARG H H 22 8.490 8.602 -0.112 1
1 131 . 8 1 1 A 22 22 ARG HA H 22 4.448 4.365 0.083 1
1 137 . 8 1 1 A 22 22 ARG N N 22 126.604 123.178 3.426 1
1 139 . 8 1 1 A 23 23 PRO HA H 23 4.389 4.508 -0.119 1
1 144 . 8 1 1 A 24 24 GLY H H 24 8.830 8.352 0.478 1
1 145 . 8 1 1 A 24 24 GLY HA2 H 24 4.295 3.877 0.418 1
1 146 . 8 1 1 A 24 24 GLY HA3 H 24 3.664 3.882 -0.218 1
1 147 . 8 1 1 A 24 24 GLY N N 24 117.708 105.823 11.885 1
1 148 . 8 1 1 A 25 25 ALA H H 25 7.942 7.857 0.085 1
1 149 . 8 1 1 A 25 25 ALA HA H 25 4.540 4.270 0.270 1
1 153 . 8 1 1 A 25 25 ALA N N 25 127.553 122.490 5.063 1
1 154 . 8 1 1 A 26 26 GLN H H 26 8.827 8.491 0.336 1
1 155 . 8 1 1 A 26 26 GLN HA H 26 4.113 3.840 0.273 1
1 162 . 8 1 1 A 26 26 GLN N N 26 122.086 118.904 3.182 1
1 164 . 8 1 1 A 27 27 CYS H H 27 7.805 7.909 -0.104 1
1 165 . 8 1 1 A 27 27 CYS HA H 27 4.555 4.703 -0.148 1
1 168 . 8 1 1 A 27 27 CYS N N 27 117.409 114.958 2.451 1
1 169 . 8 1 1 A 28 28 GLY H H 28 9.163 8.506 0.657 1
1 170 . 8 1 1 A 28 28 GLY HA2 H 28 4.446 4.112 0.334 1
1 171 . 8 1 1 A 28 28 GLY HA3 H 28 3.574 4.116 -0.542 1
1 172 . 8 1 1 A 28 28 GLY N N 28 109.041 110.961 -1.920 1
1 173 . 8 1 1 A 29 29 GLU H H 29 7.844 8.040 -0.196 1
1 174 . 8 1 1 A 29 29 GLU HA H 29 4.782 4.841 -0.059 1
1 179 . 8 1 1 A 29 29 GLU N N 29 122.174 115.165 7.009 1
1 180 . 8 1 1 A 30 30 GLY H H 30 8.391 8.412 -0.021 1
1 181 . 8 1 1 A 30 30 GLY HA2 H 30 4.915 4.256 0.659 1
1 182 . 8 1 1 A 30 30 GLY HA3 H 30 3.925 4.269 -0.344 1
1 183 . 8 1 1 A 30 30 GLY N N 30 112.663 107.751 4.912 1
1 184 . 8 1 1 A 31 31 LEU H H 31 8.960 8.836 0.124 1
1 185 . 8 1 1 A 31 31 LEU HA H 31 4.354 3.938 0.416 1
1 195 . 8 1 1 A 31 31 LEU N N 31 125.039 120.964 4.075 1
1 196 . 8 1 1 A 32 32 CYS H H 32 8.467 8.524 -0.057 1
1 197 . 8 1 1 A 32 32 CYS HA H 32 5.108 4.711 0.397 1
1 200 . 8 1 1 A 32 32 CYS N N 32 119.167 112.855 6.312 1
1 201 . 8 1 1 A 33 33 CYS H H 33 7.365 7.200 0.165 1
1 202 . 8 1 1 A 33 33 CYS HA H 33 5.291 5.787 -0.496 1
1 205 . 8 1 1 A 33 33 CYS N N 33 125.303 119.635 5.668 1
1 206 . 8 1 1 A 34 34 GLU H H 34 9.742 8.513 1.229 1
1 207 . 8 1 1 A 34 34 GLU HA H 34 4.682 4.617 0.065 1
1 212 . 8 1 1 A 34 34 GLU N N 34 132.652 125.050 7.602 1
1 213 . 8 1 1 A 35 35 GLN H H 35 9.453 9.491 -0.038 1
1 214 . 8 1 1 A 35 35 GLN HA H 35 3.999 3.931 0.068 1
1 219 . 8 1 1 A 35 35 GLN N N 35 129.593 123.836 5.757 1
1 221 . 8 1 1 A 36 36 CYS H H 36 8.492 8.441 0.051 1
1 222 . 8 1 1 A 36 36 CYS HA H 36 4.801 4.156 0.645 1
1 225 . 8 1 1 A 36 36 CYS N N 36 109.569 109.826 -0.257 1
1 226 . 8 1 1 A 37 37 LYS H H 37 8.024 7.311 0.713 1
1 227 . 8 1 1 A 37 37 LYS HA H 37 4.703 4.774 -0.071 1
1 236 . 8 1 1 A 37 37 LYS N N 37 125.110 118.943 6.167 1
1 237 . 8 1 1 A 38 38 PHE H H 38 8.276 8.527 -0.251 1
1 238 . 8 1 1 A 38 38 PHE HA H 38 5.141 4.510 0.631 1
1 245 . 8 1 1 A 38 38 PHE N N 38 123.897 120.211 3.686 1
1 246 . 8 1 1 A 39 39 SER H H 39 9.044 8.487 0.557 1
1 247 . 8 1 1 A 39 39 SER HA H 39 4.274 4.646 -0.372 1
1 250 . 8 1 1 A 39 39 SER N N 39 125.655 118.140 7.515 1
1 251 . 8 1 1 A 40 40 ARG H H 40 8.573 8.375 0.198 1
1 252 . 8 1 1 A 40 40 ARG HA H 40 4.101 4.901 -0.800 1
1 259 . 8 1 1 A 40 40 ARG N N 40 125.848 121.204 4.644 1
1 260 . 8 1 1 A 41 41 ALA H H 41 8.501 8.448 0.053 1
1 261 . 8 1 1 A 41 41 ALA HA H 41 3.724 4.110 -0.386 1
1 265 . 8 1 1 A 41 41 ALA N N 41 127.729 124.202 3.527 1
1 266 . 8 1 1 A 42 42 GLY H H 42 8.619 9.380 -0.761 1
1 267 . 8 1 1 A 42 42 GLY HA2 H 42 4.486 3.844 0.642 1
1 268 . 8 1 1 A 42 42 GLY HA3 H 42 3.587 3.845 -0.258 1
1 269 . 8 1 1 A 42 42 GLY N N 42 114.579 109.494 5.085 1
1 270 . 8 1 1 A 43 43 LYS H H 43 7.535 7.461 0.074 1
1 271 . 8 1 1 A 43 43 LYS HA H 43 4.149 4.328 -0.179 1
1 280 . 8 1 1 A 43 43 LYS N N 43 126.780 121.655 5.125 1
1 281 . 8 1 1 A 44 44 ILE H H 44 8.799 8.555 0.244 1
1 282 . 8 1 1 A 44 44 ILE HA H 44 4.035 4.232 -0.197 1
1 290 . 8 1 1 A 44 44 ILE N N 44 128.394 126.955 1.439 1
1 291 . 8 1 1 A 45 45 CYS H H 45 9.336 9.202 0.134 1
1 292 . 8 1 1 A 45 45 CYS HA H 45 5.067 4.470 0.597 1
1 295 . 8 1 1 A 45 45 CYS N N 45 123.510 126.683 -3.173 1
1 296 . 8 1 1 A 46 46 ARG H H 46 7.483 7.651 -0.168 1
1 297 . 8 1 1 A 46 46 ARG HA H 46 4.337 4.891 -0.554 1
1 302 . 8 1 1 A 46 46 ARG N N 46 122.966 121.110 1.856 1
1 303 . 8 1 1 A 47 47 ILE H H 47 8.341 8.437 -0.096 1
1 304 . 8 1 1 A 47 47 ILE HA H 47 4.235 4.385 -0.150 1
1 314 . 8 1 1 A 47 47 ILE N N 47 126.231 123.276 2.955 1
1 315 . 8 1 1 A 48 48 ALA H H 48 9.123 8.319 0.804 1
1 316 . 8 1 1 A 48 48 ALA HA H 48 4.182 4.829 -0.647 1
1 320 . 8 1 1 A 48 48 ALA N N 48 130.514 122.656 7.858 1
1 321 . 8 1 1 A 49 49 ARG H H 49 8.023 7.545 0.478 1
1 322 . 8 1 1 A 49 49 ARG HA H 49 4.446 4.399 0.047 1
1 327 . 8 1 1 A 49 49 ARG N N 49 119.731 120.150 -0.419 1
1 328 . 8 1 1 A 50 50 GLY H H 50 8.427 8.161 0.266 1
1 329 . 8 1 1 A 50 50 GLY HA2 H 50 3.819 4.188 -0.369 1
1 330 . 8 1 1 A 50 50 GLY HA3 H 50 3.868 4.188 -0.320 1
1 331 . 8 1 1 A 50 50 GLY N N 50 110.845 110.962 -0.117 1
1 332 . 8 1 1 A 51 51 ASP H H 51 8.616 8.589 0.027 1
1 333 . 8 1 1 A 51 51 ASP HA H 51 4.709 4.745 -0.036 1
1 336 . 8 1 1 A 51 51 ASP N N 51 122.577 124.954 -2.377 1
1 337 . 8 1 1 A 52 52 MET H H 52 7.844 7.902 -0.058 1
1 338 . 8 1 1 A 52 52 MET HA H 52 4.640 4.949 -0.309 1
1 343 . 8 1 1 A 52 52 MET N N 52 120.326 116.319 4.007 1
1 344 . 8 1 1 A 53 53 PRO HA H 53 3.950 4.576 -0.626 1
1 351 . 8 1 1 A 54 54 ASP H H 54 7.895 8.369 -0.474 1
1 352 . 8 1 1 A 54 54 ASP HA H 54 4.515 5.494 -0.979 1
1 355 . 8 1 1 A 54 54 ASP N N 54 118.468 118.483 -0.015 1
1 356 . 8 1 1 A 55 55 ASP H H 55 8.529 9.078 -0.549 1
1 357 . 8 1 1 A 55 55 ASP HA H 55 4.954 5.298 -0.344 1
1 360 . 8 1 1 A 55 55 ASP N N 55 121.071 121.482 -0.411 1
1 361 . 8 1 1 A 56 56 ARG H H 56 8.294 8.878 -0.584 1
1 362 . 8 1 1 A 56 56 ARG HA H 56 5.215 5.476 -0.261 1
1 367 . 8 1 1 A 56 56 ARG N N 56 119.468 124.434 -4.966 1
1 368 . 8 1 1 A 57 57 CYS H H 57 9.244 9.380 -0.136 1
1 369 . 8 1 1 A 57 57 CYS HA H 57 4.757 4.589 0.168 1
1 372 . 8 1 1 A 57 57 CYS N N 57 119.308 120.630 -1.322 1
1 373 . 8 1 1 A 58 58 THR H H 58 10.180 8.501 1.679 1
1 374 . 8 1 1 A 58 58 THR HA H 58 4.442 4.683 -0.241 1
1 379 . 8 1 1 A 58 58 THR N N 58 117.445 114.506 2.939 1
1 380 . 8 1 1 A 59 59 GLY H H 59 8.546 7.819 0.727 1
1 381 . 8 1 1 A 59 59 GLY HA2 H 59 4.460 3.986 0.474 1
1 382 . 8 1 1 A 59 59 GLY HA3 H 59 4.460 3.996 0.464 1
1 383 . 8 1 1 A 59 59 GLY N N 59 115.880 110.305 5.575 1
1 384 . 8 1 1 A 60 60 GLN H H 60 7.986 7.666 0.320 1
1 385 . 8 1 1 A 60 60 GLN HA H 60 4.298 4.470 -0.172 1
1 388 . 8 1 1 A 60 60 GLN N N 60 119.027 118.145 0.882 1
1 390 . 8 1 1 A 61 61 SER H H 61 6.630 7.475 -0.845 1
1 391 . 8 1 1 A 61 61 SER HA H 61 3.880 4.384 -0.504 1
1 394 . 8 1 1 A 61 61 SER N N 61 114.913 115.316 -0.403 1
1 395 . 8 1 1 A 62 62 ALA H H 62 9.027 8.319 0.708 1
1 396 . 8 1 1 A 62 62 ALA HA H 62 4.435 4.162 0.273 1
1 400 . 8 1 1 A 62 62 ALA N N 62 129.628 125.560 4.068 1
1 401 . 8 1 1 A 63 63 ASP H H 63 8.080 7.883 0.197 1
1 402 . 8 1 1 A 63 63 ASP HA H 63 4.895 4.702 0.193 1
1 405 . 8 1 1 A 63 63 ASP N N 63 121.506 116.090 5.416 1
1 406 . 8 1 1 A 64 64 CYS H H 64 8.924 8.537 0.387 1
1 407 . 8 1 1 A 64 64 CYS HA H 64 5.403 5.135 0.268 1
1 410 . 8 1 1 A 64 64 CYS N N 64 125.936 118.570 7.366 1
1 411 . 8 1 1 A 65 65 PRO HA H 65 4.375 4.613 -0.238 1
1 418 . 8 1 1 A 66 66 ARG H H 66 8.203 8.461 -0.258 1
1 419 . 8 1 1 A 66 66 ARG HA H 66 4.362 4.798 -0.436 1
1 426 . 8 1 1 A 66 66 ARG N N 66 123.580 120.800 2.780 1
1 427 . 8 1 1 A 67 67 TYR H H 67 8.650 8.862 -0.212 1
1 428 . 8 1 1 A 67 67 TYR HA H 67 4.459 5.071 -0.612 1
1 435 . 8 1 1 A 67 67 TYR N N 67 128.872 122.576 6.296 1
1 5 . 9 1 1 A 2 2 LYS H H 2 8.331 8.467 -0.136 1
1 10 . 9 1 1 A 2 2 LYS N N 2 125.285 124.346 0.939 1
1 11 . 9 1 1 A 3 3 GLU H H 3 8.659 8.418 0.241 1
1 12 . 9 1 1 A 3 3 GLU HA H 3 4.322 4.229 0.093 1
1 17 . 9 1 1 A 3 3 GLU N N 3 125.356 115.933 9.423 1
1 18 . 9 1 1 A 4 4 CYS H H 4 8.116 7.389 0.727 1
1 19 . 9 1 1 A 4 4 CYS HA H 4 4.975 5.041 -0.066 1
1 22 . 9 1 1 A 4 4 CYS N N 4 123.773 120.350 3.423 1
1 23 . 9 1 1 A 5 5 ASP H H 5 8.776 10.296 -1.520 1
1 24 . 9 1 1 A 5 5 ASP HA H 5 4.817 4.594 0.223 1
1 27 . 9 1 1 A 5 5 ASP N N 5 123.756 125.010 -1.254 1
1 28 . 9 1 1 A 6 6 CYS H H 6 6.975 7.495 -0.520 1
1 29 . 9 1 1 A 6 6 CYS HA H 6 4.931 5.008 -0.077 1
1 32 . 9 1 1 A 6 6 CYS N N 6 116.724 113.416 3.308 1
1 33 . 9 1 1 A 7 7 SER H H 7 9.659 8.378 1.281 1
1 34 . 9 1 1 A 7 7 SER HA H 7 4.226 4.770 -0.544 1
1 37 . 9 1 1 A 7 7 SER N N 7 123.545 114.547 8.998 1
1 38 . 9 1 1 A 8 8 SER H H 8 7.862 7.480 0.382 1
1 39 . 9 1 1 A 8 8 SER HA H 8 5.137 4.966 0.171 1
1 42 . 9 1 1 A 8 8 SER N N 8 119.712 114.743 4.969 1
1 43 . 9 1 1 A 9 9 PRO HA H 9 4.559 4.574 -0.015 1
1 50 . 9 1 1 A 10 10 GLU H H 10 8.244 8.511 -0.267 1
1 51 . 9 1 1 A 10 10 GLU HA H 10 4.294 4.526 -0.232 1
1 56 . 9 1 1 A 10 10 GLU N N 10 120.855 117.137 3.718 1
1 57 . 9 1 1 A 11 11 ASN H H 11 7.260 7.807 -0.547 1
1 58 . 9 1 1 A 11 11 ASN HA H 11 4.794 4.959 -0.165 1
1 63 . 9 1 1 A 11 11 ASN N N 11 124.776 122.238 2.538 1
1 65 . 9 1 1 A 12 12 PRO HA H 12 4.704 4.445 0.259 1
1 72 . 9 1 1 A 13 13 CYS H H 13 8.931 8.893 0.038 1
1 73 . 9 1 1 A 13 13 CYS HA H 13 4.648 4.662 -0.014 1
1 76 . 9 1 1 A 13 13 CYS N N 13 121.945 114.407 7.538 1
1 77 . 9 1 1 A 14 14 CYS H H 14 7.543 7.607 -0.064 1
1 78 . 9 1 1 A 14 14 CYS HA H 14 5.056 5.401 -0.345 1
1 81 . 9 1 1 A 14 14 CYS N N 14 116.460 119.956 -3.496 1
1 82 . 9 1 1 A 15 15 ASP H H 15 8.212 10.324 -2.112 1
1 83 . 9 1 1 A 15 15 ASP HA H 15 4.570 5.003 -0.433 1
1 86 . 9 1 1 A 15 15 ASP N N 15 125.197 125.689 -0.492 1
1 87 . 9 1 1 A 16 16 ALA H H 16 8.996 8.943 0.053 1
1 88 . 9 1 1 A 16 16 ALA HA H 16 4.148 3.971 0.177 1
1 92 . 9 1 1 A 16 16 ALA N N 16 135.341 128.756 6.585 1
1 93 . 9 1 1 A 17 17 ALA H H 17 8.669 8.134 0.535 1
1 94 . 9 1 1 A 17 17 ALA HA H 17 4.361 4.099 0.262 1
1 98 . 9 1 1 A 17 17 ALA N N 17 121.910 119.405 2.505 1
1 99 . 9 1 1 A 18 18 THR H H 18 7.743 7.870 -0.127 1
1 100 . 9 1 1 A 18 18 THR HA H 18 4.445 4.459 -0.014 1
1 105 . 9 1 1 A 18 18 THR N N 18 109.481 109.953 -0.472 1
1 106 . 9 1 1 A 19 19 CYS H H 19 8.601 8.423 0.178 1
1 107 . 9 1 1 A 19 19 CYS HA H 19 4.642 4.167 0.475 1
1 110 . 9 1 1 A 19 19 CYS N N 19 123.176 120.319 2.857 1
1 111 . 9 1 1 A 20 20 LYS H H 20 7.964 7.746 0.218 1
1 112 . 9 1 1 A 20 20 LYS HA H 20 4.945 4.767 0.178 1
1 117 . 9 1 1 A 20 20 LYS N N 20 122.525 119.835 2.690 1
1 118 . 9 1 1 A 21 21 LEU H H 21 9.211 8.609 0.602 1
1 119 . 9 1 1 A 21 21 LEU HA H 21 4.285 4.793 -0.508 1
1 129 . 9 1 1 A 21 21 LEU N N 21 124.582 120.891 3.691 1
1 130 . 9 1 1 A 22 22 ARG H H 22 8.490 8.835 -0.345 1
1 131 . 9 1 1 A 22 22 ARG HA H 22 4.448 4.286 0.162 1
1 137 . 9 1 1 A 22 22 ARG N N 22 126.604 124.707 1.897 1
1 139 . 9 1 1 A 23 23 PRO HA H 23 4.389 4.495 -0.106 1
1 144 . 9 1 1 A 24 24 GLY H H 24 8.830 8.348 0.482 1
1 145 . 9 1 1 A 24 24 GLY HA2 H 24 4.295 3.907 0.388 1
1 146 . 9 1 1 A 24 24 GLY HA3 H 24 3.664 3.908 -0.244 1
1 147 . 9 1 1 A 24 24 GLY N N 24 117.708 105.927 11.781 1
1 148 . 9 1 1 A 25 25 ALA H H 25 7.942 7.857 0.085 1
1 149 . 9 1 1 A 25 25 ALA HA H 25 4.540 4.206 0.334 1
1 153 . 9 1 1 A 25 25 ALA N N 25 127.553 122.991 4.562 1
1 154 . 9 1 1 A 26 26 GLN H H 26 8.827 8.486 0.341 1
1 155 . 9 1 1 A 26 26 GLN HA H 26 4.113 3.855 0.258 1
1 162 . 9 1 1 A 26 26 GLN N N 26 122.086 118.913 3.173 1
1 164 . 9 1 1 A 27 27 CYS H H 27 7.805 7.658 0.147 1
1 165 . 9 1 1 A 27 27 CYS HA H 27 4.555 5.020 -0.465 1
1 168 . 9 1 1 A 27 27 CYS N N 27 117.409 114.753 2.656 1
1 169 . 9 1 1 A 28 28 GLY H H 28 9.163 8.411 0.752 1
1 170 . 9 1 1 A 28 28 GLY HA2 H 28 4.446 3.948 0.498 1
1 171 . 9 1 1 A 28 28 GLY HA3 H 28 3.574 3.949 -0.375 1
1 172 . 9 1 1 A 28 28 GLY N N 28 109.041 113.897 -4.856 1
1 173 . 9 1 1 A 29 29 GLU H H 29 7.844 8.016 -0.172 1
1 174 . 9 1 1 A 29 29 GLU HA H 29 4.782 4.890 -0.108 1
1 179 . 9 1 1 A 29 29 GLU N N 29 122.174 115.005 7.169 1
1 180 . 9 1 1 A 30 30 GLY H H 30 8.391 8.442 -0.051 1
1 181 . 9 1 1 A 30 30 GLY HA2 H 30 4.915 4.272 0.643 1
1 182 . 9 1 1 A 30 30 GLY HA3 H 30 3.925 4.280 -0.355 1
1 183 . 9 1 1 A 30 30 GLY N N 30 112.663 107.538 5.125 1
1 184 . 9 1 1 A 31 31 LEU H H 31 8.960 8.656 0.304 1
1 185 . 9 1 1 A 31 31 LEU HA H 31 4.354 3.940 0.414 1
1 195 . 9 1 1 A 31 31 LEU N N 31 125.039 119.817 5.222 1
1 196 . 9 1 1 A 32 32 CYS H H 32 8.467 8.327 0.140 1
1 197 . 9 1 1 A 32 32 CYS HA H 32 5.108 4.710 0.398 1
1 200 . 9 1 1 A 32 32 CYS N N 32 119.167 114.185 4.982 1
1 201 . 9 1 1 A 33 33 CYS H H 33 7.365 8.348 -0.983 1
1 202 . 9 1 1 A 33 33 CYS HA H 33 5.291 5.786 -0.495 1
1 205 . 9 1 1 A 33 33 CYS N N 33 125.303 122.919 2.384 1
1 206 . 9 1 1 A 34 34 GLU H H 34 9.742 8.880 0.862 1
1 207 . 9 1 1 A 34 34 GLU HA H 34 4.682 4.704 -0.022 1
1 212 . 9 1 1 A 34 34 GLU N N 34 132.652 125.210 7.442 1
1 213 . 9 1 1 A 35 35 GLN H H 35 9.453 9.473 -0.020 1
1 214 . 9 1 1 A 35 35 GLN HA H 35 3.999 3.940 0.059 1
1 219 . 9 1 1 A 35 35 GLN N N 35 129.593 123.018 6.575 1
1 221 . 9 1 1 A 36 36 CYS H H 36 8.492 8.454 0.038 1
1 222 . 9 1 1 A 36 36 CYS HA H 36 4.801 4.509 0.292 1
1 225 . 9 1 1 A 36 36 CYS N N 36 109.569 109.279 0.290 1
1 226 . 9 1 1 A 37 37 LYS H H 37 8.024 7.656 0.368 1
1 227 . 9 1 1 A 37 37 LYS HA H 37 4.703 4.803 -0.100 1
1 236 . 9 1 1 A 37 37 LYS N N 37 125.110 119.315 5.795 1
1 237 . 9 1 1 A 38 38 PHE H H 38 8.276 8.438 -0.162 1
1 238 . 9 1 1 A 38 38 PHE HA H 38 5.141 4.642 0.499 1
1 245 . 9 1 1 A 38 38 PHE N N 38 123.897 120.473 3.424 1
1 246 . 9 1 1 A 39 39 SER H H 39 9.044 8.551 0.493 1
1 247 . 9 1 1 A 39 39 SER HA H 39 4.274 4.380 -0.106 1
1 250 . 9 1 1 A 39 39 SER N N 39 125.655 117.872 7.783 1
1 251 . 9 1 1 A 40 40 ARG H H 40 8.573 7.963 0.610 1
1 252 . 9 1 1 A 40 40 ARG HA H 40 4.101 4.772 -0.671 1
1 259 . 9 1 1 A 40 40 ARG N N 40 125.848 118.350 7.498 1
1 260 . 9 1 1 A 41 41 ALA H H 41 8.501 8.467 0.034 1
1 261 . 9 1 1 A 41 41 ALA HA H 41 3.724 4.285 -0.561 1
1 265 . 9 1 1 A 41 41 ALA N N 41 127.729 124.153 3.576 1
1 266 . 9 1 1 A 42 42 GLY H H 42 8.619 9.254 -0.635 1
1 267 . 9 1 1 A 42 42 GLY HA2 H 42 4.486 3.894 0.592 1
1 268 . 9 1 1 A 42 42 GLY HA3 H 42 3.587 3.901 -0.314 1
1 269 . 9 1 1 A 42 42 GLY N N 42 114.579 110.716 3.863 1
1 270 . 9 1 1 A 43 43 LYS H H 43 7.535 7.684 -0.149 1
1 271 . 9 1 1 A 43 43 LYS HA H 43 4.149 4.641 -0.492 1
1 280 . 9 1 1 A 43 43 LYS N N 43 126.780 119.808 6.972 1
1 281 . 9 1 1 A 44 44 ILE H H 44 8.799 8.417 0.382 1
1 282 . 9 1 1 A 44 44 ILE HA H 44 4.035 4.333 -0.298 1
1 290 . 9 1 1 A 44 44 ILE N N 44 128.394 126.001 2.393 1
1 291 . 9 1 1 A 45 45 CYS H H 45 9.336 8.634 0.702 1
1 292 . 9 1 1 A 45 45 CYS HA H 45 5.067 4.443 0.624 1
1 295 . 9 1 1 A 45 45 CYS N N 45 123.510 127.480 -3.970 1
1 296 . 9 1 1 A 46 46 ARG H H 46 7.483 7.520 -0.037 1
1 297 . 9 1 1 A 46 46 ARG HA H 46 4.337 4.917 -0.580 1
1 302 . 9 1 1 A 46 46 ARG N N 46 122.966 119.512 3.454 1
1 303 . 9 1 1 A 47 47 ILE H H 47 8.341 8.696 -0.355 1
1 304 . 9 1 1 A 47 47 ILE HA H 47 4.235 4.777 -0.542 1
1 314 . 9 1 1 A 47 47 ILE N N 47 126.231 127.014 -0.783 1
1 315 . 9 1 1 A 48 48 ALA H H 48 9.123 8.861 0.262 1
1 316 . 9 1 1 A 48 48 ALA HA H 48 4.182 5.206 -1.024 1
1 320 . 9 1 1 A 48 48 ALA N N 48 130.514 130.215 0.299 1
1 321 . 9 1 1 A 49 49 ARG H H 49 8.023 8.663 -0.640 1
1 322 . 9 1 1 A 49 49 ARG HA H 49 4.446 4.881 -0.435 1
1 327 . 9 1 1 A 49 49 ARG N N 49 119.731 122.435 -2.704 1
1 328 . 9 1 1 A 50 50 GLY H H 50 8.427 8.309 0.118 1
1 329 . 9 1 1 A 50 50 GLY HA2 H 50 3.819 4.142 -0.323 1
1 330 . 9 1 1 A 50 50 GLY HA3 H 50 3.868 4.143 -0.275 1
1 331 . 9 1 1 A 50 50 GLY N N 50 110.845 112.001 -1.156 1
1 332 . 9 1 1 A 51 51 ASP H H 51 8.616 8.781 -0.165 1
1 333 . 9 1 1 A 51 51 ASP HA H 51 4.709 4.581 0.128 1
1 336 . 9 1 1 A 51 51 ASP N N 51 122.577 124.048 -1.471 1
1 337 . 9 1 1 A 52 52 MET H H 52 7.844 7.662 0.182 1
1 338 . 9 1 1 A 52 52 MET HA H 52 4.640 4.496 0.144 1
1 343 . 9 1 1 A 52 52 MET N N 52 120.326 120.071 0.255 1
1 344 . 9 1 1 A 53 53 PRO HA H 53 3.950 4.588 -0.638 1
1 351 . 9 1 1 A 54 54 ASP H H 54 7.895 8.531 -0.636 1
1 352 . 9 1 1 A 54 54 ASP HA H 54 4.515 5.438 -0.923 1
1 355 . 9 1 1 A 54 54 ASP N N 54 118.468 117.613 0.855 1
1 356 . 9 1 1 A 55 55 ASP H H 55 8.529 9.190 -0.661 1
1 357 . 9 1 1 A 55 55 ASP HA H 55 4.954 5.506 -0.552 1
1 360 . 9 1 1 A 55 55 ASP N N 55 121.071 118.226 2.845 1
1 361 . 9 1 1 A 56 56 ARG H H 56 8.294 8.893 -0.599 1
1 362 . 9 1 1 A 56 56 ARG HA H 56 5.215 5.386 -0.171 1
1 367 . 9 1 1 A 56 56 ARG N N 56 119.468 122.430 -2.962 1
1 368 . 9 1 1 A 57 57 CYS H H 57 9.244 10.196 -0.952 1
1 369 . 9 1 1 A 57 57 CYS HA H 57 4.757 4.511 0.246 1
1 372 . 9 1 1 A 57 57 CYS N N 57 119.308 121.266 -1.958 1
1 373 . 9 1 1 A 58 58 THR H H 58 10.180 8.552 1.628 1
1 374 . 9 1 1 A 58 58 THR HA H 58 4.442 4.748 -0.306 1
1 379 . 9 1 1 A 58 58 THR N N 58 117.445 114.194 3.251 1
1 380 . 9 1 1 A 59 59 GLY H H 59 8.546 7.787 0.759 1
1 381 . 9 1 1 A 59 59 GLY HA2 H 59 4.460 3.957 0.503 1
1 382 . 9 1 1 A 59 59 GLY HA3 H 59 4.460 3.972 0.488 1
1 383 . 9 1 1 A 59 59 GLY N N 59 115.880 110.435 5.445 1
1 384 . 9 1 1 A 60 60 GLN H H 60 7.986 7.996 -0.010 1
1 385 . 9 1 1 A 60 60 GLN HA H 60 4.298 4.587 -0.289 1
1 388 . 9 1 1 A 60 60 GLN N N 60 119.027 118.164 0.863 1
1 390 . 9 1 1 A 61 61 SER H H 61 6.630 7.470 -0.840 1
1 391 . 9 1 1 A 61 61 SER HA H 61 3.880 4.463 -0.583 1
1 394 . 9 1 1 A 61 61 SER N N 61 114.913 115.004 -0.091 1
1 395 . 9 1 1 A 62 62 ALA H H 62 9.027 8.396 0.631 1
1 396 . 9 1 1 A 62 62 ALA HA H 62 4.435 4.043 0.392 1
1 400 . 9 1 1 A 62 62 ALA N N 62 129.628 126.277 3.351 1
1 401 . 9 1 1 A 63 63 ASP H H 63 8.080 7.872 0.208 1
1 402 . 9 1 1 A 63 63 ASP HA H 63 4.895 4.690 0.205 1
1 405 . 9 1 1 A 63 63 ASP N N 63 121.506 115.742 5.764 1
1 406 . 9 1 1 A 64 64 CYS H H 64 8.924 8.485 0.439 1
1 407 . 9 1 1 A 64 64 CYS HA H 64 5.403 5.166 0.237 1
1 410 . 9 1 1 A 64 64 CYS N N 64 125.936 118.610 7.326 1
1 411 . 9 1 1 A 65 65 PRO HA H 65 4.375 4.591 -0.216 1
1 418 . 9 1 1 A 66 66 ARG H H 66 8.203 8.721 -0.518 1
1 419 . 9 1 1 A 66 66 ARG HA H 66 4.362 4.407 -0.045 1
1 426 . 9 1 1 A 66 66 ARG N N 66 123.580 119.681 3.899 1
1 427 . 9 1 1 A 67 67 TYR H H 67 8.650 7.381 1.269 1
1 428 . 9 1 1 A 67 67 TYR HA H 67 4.459 4.855 -0.396 1
1 435 . 9 1 1 A 67 67 TYR N N 67 128.872 115.298 13.574 1
1 5 . 10 1 1 A 2 2 LYS H H 2 8.331 8.481 -0.150 1
1 10 . 10 1 1 A 2 2 LYS N N 2 125.285 120.476 4.809 1
1 11 . 10 1 1 A 3 3 GLU H H 3 8.659 8.697 -0.038 1
1 12 . 10 1 1 A 3 3 GLU HA H 3 4.322 4.470 -0.148 1
1 17 . 10 1 1 A 3 3 GLU N N 3 125.356 126.976 -1.620 1
1 18 . 10 1 1 A 4 4 CYS H H 4 8.116 7.978 0.138 1
1 19 . 10 1 1 A 4 4 CYS HA H 4 4.975 5.637 -0.662 1
1 22 . 10 1 1 A 4 4 CYS N N 4 123.773 117.129 6.644 1
1 23 . 10 1 1 A 5 5 ASP H H 5 8.776 9.497 -0.721 1
1 24 . 10 1 1 A 5 5 ASP HA H 5 4.817 4.694 0.123 1
1 27 . 10 1 1 A 5 5 ASP N N 5 123.756 123.972 -0.216 1
1 28 . 10 1 1 A 6 6 CYS H H 6 6.975 7.242 -0.267 1
1 29 . 10 1 1 A 6 6 CYS HA H 6 4.931 5.072 -0.141 1
1 32 . 10 1 1 A 6 6 CYS N N 6 116.724 115.375 1.349 1
1 33 . 10 1 1 A 7 7 SER H H 7 9.659 8.605 1.054 1
1 34 . 10 1 1 A 7 7 SER HA H 7 4.226 4.557 -0.331 1
1 37 . 10 1 1 A 7 7 SER N N 7 123.545 116.736 6.809 1
1 38 . 10 1 1 A 8 8 SER H H 8 7.862 7.704 0.158 1
1 39 . 10 1 1 A 8 8 SER HA H 8 5.137 4.699 0.438 1
1 42 . 10 1 1 A 8 8 SER N N 8 119.712 118.766 0.946 1
1 43 . 10 1 1 A 9 9 PRO HA H 9 4.559 4.576 -0.017 1
1 50 . 10 1 1 A 10 10 GLU H H 10 8.244 8.507 -0.263 1
1 51 . 10 1 1 A 10 10 GLU HA H 10 4.294 4.488 -0.194 1
1 56 . 10 1 1 A 10 10 GLU N N 10 120.855 115.631 5.224 1
1 57 . 10 1 1 A 11 11 ASN H H 11 7.260 7.378 -0.118 1
1 58 . 10 1 1 A 11 11 ASN HA H 11 4.794 5.016 -0.222 1
1 63 . 10 1 1 A 11 11 ASN N N 11 124.776 119.823 4.953 1
1 65 . 10 1 1 A 12 12 PRO HA H 12 4.704 4.457 0.247 1
1 72 . 10 1 1 A 13 13 CYS H H 13 8.931 8.293 0.638 1
1 73 . 10 1 1 A 13 13 CYS HA H 13 4.648 4.525 0.123 1
1 76 . 10 1 1 A 13 13 CYS N N 13 121.945 115.157 6.788 1
1 77 . 10 1 1 A 14 14 CYS H H 14 7.543 7.642 -0.099 1
1 78 . 10 1 1 A 14 14 CYS HA H 14 5.056 5.312 -0.256 1
1 81 . 10 1 1 A 14 14 CYS N N 14 116.460 117.296 -0.836 1
1 82 . 10 1 1 A 15 15 ASP H H 15 8.212 10.100 -1.888 1
1 83 . 10 1 1 A 15 15 ASP HA H 15 4.570 4.998 -0.428 1
1 86 . 10 1 1 A 15 15 ASP N N 15 125.197 122.906 2.291 1
1 87 . 10 1 1 A 16 16 ALA H H 16 8.996 9.030 -0.034 1
1 88 . 10 1 1 A 16 16 ALA HA H 16 4.148 4.032 0.116 1
1 92 . 10 1 1 A 16 16 ALA N N 16 135.341 128.717 6.624 1
1 93 . 10 1 1 A 17 17 ALA H H 17 8.669 7.774 0.895 1
1 94 . 10 1 1 A 17 17 ALA HA H 17 4.361 4.085 0.276 1
1 98 . 10 1 1 A 17 17 ALA N N 17 121.910 119.602 2.308 1
1 99 . 10 1 1 A 18 18 THR H H 18 7.743 7.854 -0.111 1
1 100 . 10 1 1 A 18 18 THR HA H 18 4.445 4.466 -0.021 1
1 105 . 10 1 1 A 18 18 THR N N 18 109.481 109.147 0.334 1
1 106 . 10 1 1 A 19 19 CYS H H 19 8.601 8.035 0.566 1
1 107 . 10 1 1 A 19 19 CYS HA H 19 4.642 4.427 0.215 1
1 110 . 10 1 1 A 19 19 CYS N N 19 123.176 120.281 2.895 1
1 111 . 10 1 1 A 20 20 LYS H H 20 7.964 7.619 0.345 1
1 112 . 10 1 1 A 20 20 LYS HA H 20 4.945 4.870 0.075 1
1 117 . 10 1 1 A 20 20 LYS N N 20 122.525 120.761 1.764 1
1 118 . 10 1 1 A 21 21 LEU H H 21 9.211 8.609 0.602 1
1 119 . 10 1 1 A 21 21 LEU HA H 21 4.285 4.714 -0.429 1
1 129 . 10 1 1 A 21 21 LEU N N 21 124.582 121.079 3.503 1
1 130 . 10 1 1 A 22 22 ARG H H 22 8.490 8.907 -0.417 1
1 131 . 10 1 1 A 22 22 ARG HA H 22 4.448 4.378 0.070 1
1 137 . 10 1 1 A 22 22 ARG N N 22 126.604 123.528 3.076 1
1 139 . 10 1 1 A 23 23 PRO HA H 23 4.389 4.502 -0.113 1
1 144 . 10 1 1 A 24 24 GLY H H 24 8.830 8.360 0.470 1
1 145 . 10 1 1 A 24 24 GLY HA2 H 24 4.295 3.917 0.378 1
1 146 . 10 1 1 A 24 24 GLY HA3 H 24 3.664 3.919 -0.255 1
1 147 . 10 1 1 A 24 24 GLY N N 24 117.708 106.378 11.330 1
1 148 . 10 1 1 A 25 25 ALA H H 25 7.942 7.773 0.169 1
1 149 . 10 1 1 A 25 25 ALA HA H 25 4.540 4.217 0.323 1
1 153 . 10 1 1 A 25 25 ALA N N 25 127.553 122.947 4.606 1
1 154 . 10 1 1 A 26 26 GLN H H 26 8.827 8.634 0.193 1
1 155 . 10 1 1 A 26 26 GLN HA H 26 4.113 3.987 0.126 1
1 162 . 10 1 1 A 26 26 GLN N N 26 122.086 117.982 4.104 1
1 164 . 10 1 1 A 27 27 CYS H H 27 7.805 7.698 0.107 1
1 165 . 10 1 1 A 27 27 CYS HA H 27 4.555 4.994 -0.439 1
1 168 . 10 1 1 A 27 27 CYS N N 27 117.409 114.125 3.284 1
1 169 . 10 1 1 A 28 28 GLY H H 28 9.163 9.162 0.001 1
1 170 . 10 1 1 A 28 28 GLY HA2 H 28 4.446 3.888 0.558 1
1 171 . 10 1 1 A 28 28 GLY HA3 H 28 3.574 3.902 -0.328 1
1 172 . 10 1 1 A 28 28 GLY N N 28 109.041 111.881 -2.840 1
1 173 . 10 1 1 A 29 29 GLU H H 29 7.844 7.930 -0.086 1
1 174 . 10 1 1 A 29 29 GLU HA H 29 4.782 4.871 -0.089 1
1 179 . 10 1 1 A 29 29 GLU N N 29 122.174 115.533 6.641 1
1 180 . 10 1 1 A 30 30 GLY H H 30 8.391 8.423 -0.032 1
1 181 . 10 1 1 A 30 30 GLY HA2 H 30 4.915 4.244 0.671 1
1 182 . 10 1 1 A 30 30 GLY HA3 H 30 3.925 4.267 -0.342 1
1 183 . 10 1 1 A 30 30 GLY N N 30 112.663 107.528 5.135 1
1 184 . 10 1 1 A 31 31 LEU H H 31 8.960 8.595 0.365 1
1 185 . 10 1 1 A 31 31 LEU HA H 31 4.354 4.040 0.314 1
1 195 . 10 1 1 A 31 31 LEU N N 31 125.039 119.977 5.062 1
1 196 . 10 1 1 A 32 32 CYS H H 32 8.467 8.064 0.403 1
1 197 . 10 1 1 A 32 32 CYS HA H 32 5.108 4.747 0.361 1
1 200 . 10 1 1 A 32 32 CYS N N 32 119.167 116.668 2.499 1
1 201 . 10 1 1 A 33 33 CYS H H 33 7.365 7.307 0.058 1
1 202 . 10 1 1 A 33 33 CYS HA H 33 5.291 5.766 -0.475 1
1 205 . 10 1 1 A 33 33 CYS N N 33 125.303 119.998 5.305 1
1 206 . 10 1 1 A 34 34 GLU H H 34 9.742 8.619 1.123 1
1 207 . 10 1 1 A 34 34 GLU HA H 34 4.682 4.728 -0.046 1
1 212 . 10 1 1 A 34 34 GLU N N 34 132.652 126.551 6.101 1
1 213 . 10 1 1 A 35 35 GLN H H 35 9.453 8.764 0.689 1
1 214 . 10 1 1 A 35 35 GLN HA H 35 3.999 4.063 -0.064 1
1 219 . 10 1 1 A 35 35 GLN N N 35 129.593 124.868 4.725 1
1 221 . 10 1 1 A 36 36 CYS H H 36 8.492 8.346 0.146 1
1 222 . 10 1 1 A 36 36 CYS HA H 36 4.801 4.462 0.339 1
1 225 . 10 1 1 A 36 36 CYS N N 36 109.569 117.093 -7.524 1
1 226 . 10 1 1 A 37 37 LYS H H 37 8.024 7.244 0.780 1
1 227 . 10 1 1 A 37 37 LYS HA H 37 4.703 4.618 0.085 1
1 236 . 10 1 1 A 37 37 LYS N N 37 125.110 120.885 4.225 1
1 237 . 10 1 1 A 38 38 PHE H H 38 8.276 9.029 -0.753 1
1 238 . 10 1 1 A 38 38 PHE HA H 38 5.141 4.553 0.588 1
1 245 . 10 1 1 A 38 38 PHE N N 38 123.897 122.725 1.172 1
1 246 . 10 1 1 A 39 39 SER H H 39 9.044 9.246 -0.202 1
1 247 . 10 1 1 A 39 39 SER HA H 39 4.274 4.509 -0.235 1
1 250 . 10 1 1 A 39 39 SER N N 39 125.655 118.794 6.861 1
1 251 . 10 1 1 A 40 40 ARG H H 40 8.573 8.575 -0.002 1
1 252 . 10 1 1 A 40 40 ARG HA H 40 4.101 4.456 -0.355 1
1 259 . 10 1 1 A 40 40 ARG N N 40 125.848 122.114 3.734 1
1 260 . 10 1 1 A 41 41 ALA H H 41 8.501 8.515 -0.014 1
1 261 . 10 1 1 A 41 41 ALA HA H 41 3.724 4.298 -0.574 1
1 265 . 10 1 1 A 41 41 ALA N N 41 127.729 125.069 2.660 1
1 266 . 10 1 1 A 42 42 GLY H H 42 8.619 9.211 -0.592 1
1 267 . 10 1 1 A 42 42 GLY HA2 H 42 4.486 3.850 0.636 1
1 268 . 10 1 1 A 42 42 GLY HA3 H 42 3.587 3.850 -0.263 1
1 269 . 10 1 1 A 42 42 GLY N N 42 114.579 109.396 5.183 1
1 270 . 10 1 1 A 43 43 LYS H H 43 7.535 7.491 0.044 1
1 271 . 10 1 1 A 43 43 LYS HA H 43 4.149 4.510 -0.361 1
1 280 . 10 1 1 A 43 43 LYS N N 43 126.780 121.559 5.221 1
1 281 . 10 1 1 A 44 44 ILE H H 44 8.799 8.428 0.371 1
1 282 . 10 1 1 A 44 44 ILE HA H 44 4.035 4.264 -0.229 1
1 290 . 10 1 1 A 44 44 ILE N N 44 128.394 126.373 2.021 1
1 291 . 10 1 1 A 45 45 CYS H H 45 9.336 8.708 0.628 1
1 292 . 10 1 1 A 45 45 CYS HA H 45 5.067 4.496 0.571 1
1 295 . 10 1 1 A 45 45 CYS N N 45 123.510 127.235 -3.725 1
1 296 . 10 1 1 A 46 46 ARG H H 46 7.483 7.670 -0.187 1
1 297 . 10 1 1 A 46 46 ARG HA H 46 4.337 4.915 -0.578 1
1 302 . 10 1 1 A 46 46 ARG N N 46 122.966 119.237 3.729 1
1 303 . 10 1 1 A 47 47 ILE H H 47 8.341 8.664 -0.323 1
1 304 . 10 1 1 A 47 47 ILE HA H 47 4.235 4.521 -0.286 1
1 314 . 10 1 1 A 47 47 ILE N N 47 126.231 121.471 4.760 1
1 315 . 10 1 1 A 48 48 ALA H H 48 9.123 8.406 0.717 1
1 316 . 10 1 1 A 48 48 ALA HA H 48 4.182 4.668 -0.486 1
1 320 . 10 1 1 A 48 48 ALA N N 48 130.514 123.313 7.201 1
1 321 . 10 1 1 A 49 49 ARG H H 49 8.023 7.466 0.557 1
1 322 . 10 1 1 A 49 49 ARG HA H 49 4.446 4.140 0.306 1
1 327 . 10 1 1 A 49 49 ARG N N 49 119.731 117.888 1.843 1
1 328 . 10 1 1 A 50 50 GLY H H 50 8.427 8.455 -0.028 1
1 329 . 10 1 1 A 50 50 GLY HA2 H 50 3.819 4.160 -0.341 1
1 330 . 10 1 1 A 50 50 GLY HA3 H 50 3.868 4.160 -0.292 1
1 331 . 10 1 1 A 50 50 GLY N N 50 110.845 110.566 0.279 1
1 332 . 10 1 1 A 51 51 ASP H H 51 8.616 8.434 0.182 1
1 333 . 10 1 1 A 51 51 ASP HA H 51 4.709 5.159 -0.450 1
1 336 . 10 1 1 A 51 51 ASP N N 51 122.577 124.840 -2.263 1
1 337 . 10 1 1 A 52 52 MET H H 52 7.844 8.155 -0.311 1
1 338 . 10 1 1 A 52 52 MET HA H 52 4.640 4.866 -0.226 1
1 343 . 10 1 1 A 52 52 MET N N 52 120.326 122.249 -1.923 1
1 344 . 10 1 1 A 53 53 PRO HA H 53 3.950 4.535 -0.585 1
1 351 . 10 1 1 A 54 54 ASP H H 54 7.895 8.380 -0.485 1
1 352 . 10 1 1 A 54 54 ASP HA H 54 4.515 5.198 -0.683 1
1 355 . 10 1 1 A 54 54 ASP N N 54 118.468 119.815 -1.347 1
1 356 . 10 1 1 A 55 55 ASP H H 55 8.529 8.866 -0.337 1
1 357 . 10 1 1 A 55 55 ASP HA H 55 4.954 5.362 -0.408 1
1 360 . 10 1 1 A 55 55 ASP N N 55 121.071 120.181 0.890 1
1 361 . 10 1 1 A 56 56 ARG H H 56 8.294 9.025 -0.731 1
1 362 . 10 1 1 A 56 56 ARG HA H 56 5.215 5.255 -0.040 1
1 367 . 10 1 1 A 56 56 ARG N N 56 119.468 123.014 -3.546 1
1 368 . 10 1 1 A 57 57 CYS H H 57 9.244 9.745 -0.501 1
1 369 . 10 1 1 A 57 57 CYS HA H 57 4.757 4.601 0.156 1
1 372 . 10 1 1 A 57 57 CYS N N 57 119.308 121.083 -1.775 1
1 373 . 10 1 1 A 58 58 THR H H 58 10.180 8.559 1.621 1
1 374 . 10 1 1 A 58 58 THR HA H 58 4.442 4.518 -0.076 1
1 379 . 10 1 1 A 58 58 THR N N 58 117.445 115.548 1.897 1
1 380 . 10 1 1 A 59 59 GLY H H 59 8.546 7.802 0.744 1
1 381 . 10 1 1 A 59 59 GLY HA2 H 59 4.460 3.960 0.500 1
1 382 . 10 1 1 A 59 59 GLY HA3 H 59 4.460 3.977 0.483 1
1 383 . 10 1 1 A 59 59 GLY N N 59 115.880 110.377 5.503 1
1 384 . 10 1 1 A 60 60 GLN H H 60 7.986 7.581 0.405 1
1 385 . 10 1 1 A 60 60 GLN HA H 60 4.298 3.984 0.314 1
1 388 . 10 1 1 A 60 60 GLN N N 60 119.027 117.867 1.160 1
1 390 . 10 1 1 A 61 61 SER H H 61 6.630 7.443 -0.813 1
1 391 . 10 1 1 A 61 61 SER HA H 61 3.880 4.348 -0.468 1
1 394 . 10 1 1 A 61 61 SER N N 61 114.913 115.988 -1.075 1
1 395 . 10 1 1 A 62 62 ALA H H 62 9.027 8.748 0.279 1
1 396 . 10 1 1 A 62 62 ALA HA H 62 4.435 4.354 0.081 1
1 400 . 10 1 1 A 62 62 ALA N N 62 129.628 129.899 -0.271 1
1 401 . 10 1 1 A 63 63 ASP H H 63 8.080 8.022 0.058 1
1 402 . 10 1 1 A 63 63 ASP HA H 63 4.895 4.762 0.133 1
1 405 . 10 1 1 A 63 63 ASP N N 63 121.506 115.613 5.893 1
1 406 . 10 1 1 A 64 64 CYS H H 64 8.924 8.594 0.330 1
1 407 . 10 1 1 A 64 64 CYS HA H 64 5.403 5.229 0.174 1
1 410 . 10 1 1 A 64 64 CYS N N 64 125.936 119.769 6.167 1
1 411 . 10 1 1 A 65 65 PRO HA H 65 4.375 4.604 -0.229 1
1 418 . 10 1 1 A 66 66 ARG H H 66 8.203 8.302 -0.099 1
1 419 . 10 1 1 A 66 66 ARG HA H 66 4.362 4.645 -0.283 1
1 426 . 10 1 1 A 66 66 ARG N N 66 123.580 118.446 5.134 1
1 427 . 10 1 1 A 67 67 TYR H H 67 8.650 9.319 -0.669 1
1 428 . 10 1 1 A 67 67 TYR HA H 67 4.459 4.468 -0.009 1
1 435 . 10 1 1 A 67 67 TYR N N 67 128.872 121.019 7.853 1
1 5 . 11 1 1 A 2 2 LYS H H 2 8.331 8.267 0.064 1
1 10 . 11 1 1 A 2 2 LYS N N 2 125.285 122.283 3.002 1
1 11 . 11 1 1 A 3 3 GLU H H 3 8.659 8.867 -0.208 1
1 12 . 11 1 1 A 3 3 GLU HA H 3 4.322 4.520 -0.198 1
1 17 . 11 1 1 A 3 3 GLU N N 3 125.356 127.572 -2.216 1
1 18 . 11 1 1 A 4 4 CYS H H 4 8.116 7.552 0.564 1
1 19 . 11 1 1 A 4 4 CYS HA H 4 4.975 5.363 -0.388 1
1 22 . 11 1 1 A 4 4 CYS N N 4 123.773 118.903 4.870 1
1 23 . 11 1 1 A 5 5 ASP H H 5 8.776 10.299 -1.523 1
1 24 . 11 1 1 A 5 5 ASP HA H 5 4.817 4.554 0.263 1
1 27 . 11 1 1 A 5 5 ASP N N 5 123.756 125.889 -2.133 1
1 28 . 11 1 1 A 6 6 CYS H H 6 6.975 7.299 -0.324 1
1 29 . 11 1 1 A 6 6 CYS HA H 6 4.931 5.027 -0.096 1
1 32 . 11 1 1 A 6 6 CYS N N 6 116.724 115.172 1.552 1
1 33 . 11 1 1 A 7 7 SER H H 7 9.659 8.506 1.153 1
1 34 . 11 1 1 A 7 7 SER HA H 7 4.226 4.564 -0.338 1
1 37 . 11 1 1 A 7 7 SER N N 7 123.545 116.357 7.188 1
1 38 . 11 1 1 A 8 8 SER H H 8 7.862 7.677 0.185 1
1 39 . 11 1 1 A 8 8 SER HA H 8 5.137 4.890 0.247 1
1 42 . 11 1 1 A 8 8 SER N N 8 119.712 117.548 2.164 1
1 43 . 11 1 1 A 9 9 PRO HA H 9 4.559 4.484 0.075 1
1 50 . 11 1 1 A 10 10 GLU H H 10 8.244 8.277 -0.033 1
1 51 . 11 1 1 A 10 10 GLU HA H 10 4.294 4.286 0.008 1
1 56 . 11 1 1 A 10 10 GLU N N 10 120.855 117.411 3.444 1
1 57 . 11 1 1 A 11 11 ASN H H 11 7.260 7.878 -0.618 1
1 58 . 11 1 1 A 11 11 ASN HA H 11 4.794 4.890 -0.096 1
1 63 . 11 1 1 A 11 11 ASN N N 11 124.776 118.753 6.023 1
1 65 . 11 1 1 A 12 12 PRO HA H 12 4.704 4.500 0.204 1
1 72 . 11 1 1 A 13 13 CYS H H 13 8.931 9.732 -0.801 1
1 73 . 11 1 1 A 13 13 CYS HA H 13 4.648 4.685 -0.037 1
1 76 . 11 1 1 A 13 13 CYS N N 13 121.945 115.073 6.872 1
1 77 . 11 1 1 A 14 14 CYS H H 14 7.543 7.334 0.209 1
1 78 . 11 1 1 A 14 14 CYS HA H 14 5.056 5.137 -0.081 1
1 81 . 11 1 1 A 14 14 CYS N N 14 116.460 119.038 -2.578 1
1 82 . 11 1 1 A 15 15 ASP H H 15 8.212 9.833 -1.621 1
1 83 . 11 1 1 A 15 15 ASP HA H 15 4.570 4.715 -0.145 1
1 86 . 11 1 1 A 15 15 ASP N N 15 125.197 125.778 -0.581 1
1 87 . 11 1 1 A 16 16 ALA H H 16 8.996 9.007 -0.011 1
1 88 . 11 1 1 A 16 16 ALA HA H 16 4.148 3.966 0.182 1
1 92 . 11 1 1 A 16 16 ALA N N 16 135.341 129.584 5.757 1
1 93 . 11 1 1 A 17 17 ALA H H 17 8.669 7.802 0.867 1
1 94 . 11 1 1 A 17 17 ALA HA H 17 4.361 4.071 0.290 1
1 98 . 11 1 1 A 17 17 ALA N N 17 121.910 119.651 2.259 1
1 99 . 11 1 1 A 18 18 THR H H 18 7.743 7.331 0.412 1
1 100 . 11 1 1 A 18 18 THR HA H 18 4.445 4.430 0.015 1
1 105 . 11 1 1 A 18 18 THR N N 18 109.481 106.092 3.389 1
1 106 . 11 1 1 A 19 19 CYS H H 19 8.601 8.593 0.008 1
1 107 . 11 1 1 A 19 19 CYS HA H 19 4.642 4.151 0.491 1
1 110 . 11 1 1 A 19 19 CYS N N 19 123.176 119.423 3.753 1
1 111 . 11 1 1 A 20 20 LYS H H 20 7.964 7.412 0.552 1
1 112 . 11 1 1 A 20 20 LYS HA H 20 4.945 4.739 0.206 1
1 117 . 11 1 1 A 20 20 LYS N N 20 122.525 120.273 2.252 1
1 118 . 11 1 1 A 21 21 LEU H H 21 9.211 8.526 0.685 1
1 119 . 11 1 1 A 21 21 LEU HA H 21 4.285 4.643 -0.358 1
1 129 . 11 1 1 A 21 21 LEU N N 21 124.582 121.484 3.098 1
1 130 . 11 1 1 A 22 22 ARG H H 22 8.490 8.658 -0.168 1
1 131 . 11 1 1 A 22 22 ARG HA H 22 4.448 4.298 0.150 1
1 137 . 11 1 1 A 22 22 ARG N N 22 126.604 125.052 1.552 1
1 139 . 11 1 1 A 23 23 PRO HA H 23 4.389 4.517 -0.128 1
1 144 . 11 1 1 A 24 24 GLY H H 24 8.830 8.345 0.485 1
1 145 . 11 1 1 A 24 24 GLY HA2 H 24 4.295 3.943 0.352 1
1 146 . 11 1 1 A 24 24 GLY HA3 H 24 3.664 3.943 -0.279 1
1 147 . 11 1 1 A 24 24 GLY N N 24 117.708 106.390 11.318 1
1 148 . 11 1 1 A 25 25 ALA H H 25 7.942 7.775 0.167 1
1 149 . 11 1 1 A 25 25 ALA HA H 25 4.540 4.223 0.317 1
1 153 . 11 1 1 A 25 25 ALA N N 25 127.553 123.146 4.407 1
1 154 . 11 1 1 A 26 26 GLN H H 26 8.827 8.592 0.235 1
1 155 . 11 1 1 A 26 26 GLN HA H 26 4.113 4.226 -0.113 1
1 162 . 11 1 1 A 26 26 GLN N N 26 122.086 118.754 3.332 1
1 164 . 11 1 1 A 27 27 CYS H H 27 7.805 7.638 0.167 1
1 165 . 11 1 1 A 27 27 CYS HA H 27 4.555 4.882 -0.327 1
1 168 . 11 1 1 A 27 27 CYS N N 27 117.409 115.128 2.281 1
1 169 . 11 1 1 A 28 28 GLY H H 28 9.163 8.241 0.922 1
1 170 . 11 1 1 A 28 28 GLY HA2 H 28 4.446 3.887 0.559 1
1 171 . 11 1 1 A 28 28 GLY HA3 H 28 3.574 3.900 -0.326 1
1 172 . 11 1 1 A 28 28 GLY N N 28 109.041 111.621 -2.580 1
1 173 . 11 1 1 A 29 29 GLU H H 29 7.844 7.909 -0.065 1
1 174 . 11 1 1 A 29 29 GLU HA H 29 4.782 4.819 -0.037 1
1 179 . 11 1 1 A 29 29 GLU N N 29 122.174 115.464 6.710 1
1 180 . 11 1 1 A 30 30 GLY H H 30 8.391 8.409 -0.018 1
1 181 . 11 1 1 A 30 30 GLY HA2 H 30 4.915 4.250 0.665 1
1 182 . 11 1 1 A 30 30 GLY HA3 H 30 3.925 4.260 -0.335 1
1 183 . 11 1 1 A 30 30 GLY N N 30 112.663 107.618 5.045 1
1 184 . 11 1 1 A 31 31 LEU H H 31 8.960 9.013 -0.053 1
1 185 . 11 1 1 A 31 31 LEU HA H 31 4.354 3.919 0.435 1
1 195 . 11 1 1 A 31 31 LEU N N 31 125.039 120.551 4.488 1
1 196 . 11 1 1 A 32 32 CYS H H 32 8.467 7.588 0.879 1
1 197 . 11 1 1 A 32 32 CYS HA H 32 5.108 4.672 0.436 1
1 200 . 11 1 1 A 32 32 CYS N N 32 119.167 113.229 5.938 1
1 201 . 11 1 1 A 33 33 CYS H H 33 7.365 7.535 -0.170 1
1 202 . 11 1 1 A 33 33 CYS HA H 33 5.291 5.679 -0.388 1
1 205 . 11 1 1 A 33 33 CYS N N 33 125.303 119.355 5.948 1
1 206 . 11 1 1 A 34 34 GLU H H 34 9.742 8.510 1.232 1
1 207 . 11 1 1 A 34 34 GLU HA H 34 4.682 4.688 -0.006 1
1 212 . 11 1 1 A 34 34 GLU N N 34 132.652 125.276 7.376 1
1 213 . 11 1 1 A 35 35 GLN H H 35 9.453 8.966 0.487 1
1 214 . 11 1 1 A 35 35 GLN HA H 35 3.999 3.998 0.001 1
1 219 . 11 1 1 A 35 35 GLN N N 35 129.593 124.062 5.531 1
1 221 . 11 1 1 A 36 36 CYS H H 36 8.492 8.386 0.106 1
1 222 . 11 1 1 A 36 36 CYS HA H 36 4.801 4.552 0.249 1
1 225 . 11 1 1 A 36 36 CYS N N 36 109.569 112.646 -3.077 1
1 226 . 11 1 1 A 37 37 LYS H H 37 8.024 7.104 0.920 1
1 227 . 11 1 1 A 37 37 LYS HA H 37 4.703 4.729 -0.026 1
1 236 . 11 1 1 A 37 37 LYS N N 37 125.110 119.048 6.062 1
1 237 . 11 1 1 A 38 38 PHE H H 38 8.276 8.527 -0.251 1
1 238 . 11 1 1 A 38 38 PHE HA H 38 5.141 4.476 0.665 1
1 245 . 11 1 1 A 38 38 PHE N N 38 123.897 120.189 3.708 1
1 246 . 11 1 1 A 39 39 SER H H 39 9.044 8.564 0.480 1
1 247 . 11 1 1 A 39 39 SER HA H 39 4.274 4.508 -0.234 1
1 250 . 11 1 1 A 39 39 SER N N 39 125.655 118.311 7.344 1
1 251 . 11 1 1 A 40 40 ARG H H 40 8.573 8.267 0.306 1
1 252 . 11 1 1 A 40 40 ARG HA H 40 4.101 5.010 -0.909 1
1 259 . 11 1 1 A 40 40 ARG N N 40 125.848 118.858 6.990 1
1 260 . 11 1 1 A 41 41 ALA H H 41 8.501 8.510 -0.009 1
1 261 . 11 1 1 A 41 41 ALA HA H 41 3.724 4.037 -0.313 1
1 265 . 11 1 1 A 41 41 ALA N N 41 127.729 123.684 4.045 1
1 266 . 11 1 1 A 42 42 GLY H H 42 8.619 9.575 -0.956 1
1 267 . 11 1 1 A 42 42 GLY HA2 H 42 4.486 3.855 0.631 1
1 268 . 11 1 1 A 42 42 GLY HA3 H 42 3.587 3.868 -0.281 1
1 269 . 11 1 1 A 42 42 GLY N N 42 114.579 109.809 4.770 1
1 270 . 11 1 1 A 43 43 LYS H H 43 7.535 7.899 -0.364 1
1 271 . 11 1 1 A 43 43 LYS HA H 43 4.149 4.562 -0.413 1
1 280 . 11 1 1 A 43 43 LYS N N 43 126.780 121.300 5.480 1
1 281 . 11 1 1 A 44 44 ILE H H 44 8.799 8.457 0.342 1
1 282 . 11 1 1 A 44 44 ILE HA H 44 4.035 4.492 -0.457 1
1 290 . 11 1 1 A 44 44 ILE N N 44 128.394 126.117 2.277 1
1 291 . 11 1 1 A 45 45 CYS H H 45 9.336 8.634 0.702 1
1 292 . 11 1 1 A 45 45 CYS HA H 45 5.067 4.492 0.575 1
1 295 . 11 1 1 A 45 45 CYS N N 45 123.510 127.474 -3.964 1
1 296 . 11 1 1 A 46 46 ARG H H 46 7.483 7.325 0.158 1
1 297 . 11 1 1 A 46 46 ARG HA H 46 4.337 4.942 -0.605 1
1 302 . 11 1 1 A 46 46 ARG N N 46 122.966 119.552 3.414 1
1 303 . 11 1 1 A 47 47 ILE H H 47 8.341 8.980 -0.639 1
1 304 . 11 1 1 A 47 47 ILE HA H 47 4.235 4.832 -0.597 1
1 314 . 11 1 1 A 47 47 ILE N N 47 126.231 126.496 -0.265 1
1 315 . 11 1 1 A 48 48 ALA H H 48 9.123 9.054 0.069 1
1 316 . 11 1 1 A 48 48 ALA HA H 48 4.182 5.220 -1.038 1
1 320 . 11 1 1 A 48 48 ALA N N 48 130.514 131.389 -0.875 1
1 321 . 11 1 1 A 49 49 ARG H H 49 8.023 8.515 -0.492 1
1 322 . 11 1 1 A 49 49 ARG HA H 49 4.446 4.916 -0.470 1
1 327 . 11 1 1 A 49 49 ARG N N 49 119.731 122.614 -2.883 1
1 328 . 11 1 1 A 50 50 GLY H H 50 8.427 8.296 0.131 1
1 329 . 11 1 1 A 50 50 GLY HA2 H 50 3.819 4.196 -0.377 1
1 330 . 11 1 1 A 50 50 GLY HA3 H 50 3.868 4.196 -0.328 1
1 331 . 11 1 1 A 50 50 GLY N N 50 110.845 111.933 -1.088 1
1 332 . 11 1 1 A 51 51 ASP H H 51 8.616 8.801 -0.185 1
1 333 . 11 1 1 A 51 51 ASP HA H 51 4.709 4.811 -0.102 1
1 336 . 11 1 1 A 51 51 ASP N N 51 122.577 124.806 -2.229 1
1 337 . 11 1 1 A 52 52 MET H H 52 7.844 7.583 0.261 1
1 338 . 11 1 1 A 52 52 MET HA H 52 4.640 4.977 -0.337 1
1 343 . 11 1 1 A 52 52 MET N N 52 120.326 119.629 0.697 1
1 344 . 11 1 1 A 53 53 PRO HA H 53 3.950 4.545 -0.595 1
1 351 . 11 1 1 A 54 54 ASP H H 54 7.895 8.222 -0.327 1
1 352 . 11 1 1 A 54 54 ASP HA H 54 4.515 5.045 -0.530 1
1 355 . 11 1 1 A 54 54 ASP N N 54 118.468 119.660 -1.192 1
1 356 . 11 1 1 A 55 55 ASP H H 55 8.529 9.018 -0.489 1
1 357 . 11 1 1 A 55 55 ASP HA H 55 4.954 5.282 -0.328 1
1 360 . 11 1 1 A 55 55 ASP N N 55 121.071 120.836 0.235 1
1 361 . 11 1 1 A 56 56 ARG H H 56 8.294 9.010 -0.716 1
1 362 . 11 1 1 A 56 56 ARG HA H 56 5.215 5.418 -0.203 1
1 367 . 11 1 1 A 56 56 ARG N N 56 119.468 124.907 -5.439 1
1 368 . 11 1 1 A 57 57 CYS H H 57 9.244 9.744 -0.500 1
1 369 . 11 1 1 A 57 57 CYS HA H 57 4.757 4.641 0.116 1
1 372 . 11 1 1 A 57 57 CYS N N 57 119.308 122.642 -3.334 1
1 373 . 11 1 1 A 58 58 THR H H 58 10.180 8.643 1.537 1
1 374 . 11 1 1 A 58 58 THR HA H 58 4.442 4.796 -0.354 1
1 379 . 11 1 1 A 58 58 THR N N 58 117.445 113.987 3.458 1
1 380 . 11 1 1 A 59 59 GLY H H 59 8.546 7.937 0.609 1
1 381 . 11 1 1 A 59 59 GLY HA2 H 59 4.460 3.968 0.492 1
1 382 . 11 1 1 A 59 59 GLY HA3 H 59 4.460 4.013 0.447 1
1 383 . 11 1 1 A 59 59 GLY N N 59 115.880 110.994 4.886 1
1 384 . 11 1 1 A 60 60 GLN H H 60 7.986 8.502 -0.516 1
1 385 . 11 1 1 A 60 60 GLN HA H 60 4.298 3.660 0.638 1
1 388 . 11 1 1 A 60 60 GLN N N 60 119.027 119.749 -0.722 1
1 390 . 11 1 1 A 61 61 SER H H 61 6.630 7.515 -0.885 1
1 391 . 11 1 1 A 61 61 SER HA H 61 3.880 4.705 -0.825 1
1 394 . 11 1 1 A 61 61 SER N N 61 114.913 116.452 -1.539 1
1 395 . 11 1 1 A 62 62 ALA H H 62 9.027 9.066 -0.039 1
1 396 . 11 1 1 A 62 62 ALA HA H 62 4.435 4.377 0.058 1
1 400 . 11 1 1 A 62 62 ALA N N 62 129.628 129.739 -0.111 1
1 401 . 11 1 1 A 63 63 ASP H H 63 8.080 7.908 0.172 1
1 402 . 11 1 1 A 63 63 ASP HA H 63 4.895 5.054 -0.159 1
1 405 . 11 1 1 A 63 63 ASP N N 63 121.506 115.910 5.596 1
1 406 . 11 1 1 A 64 64 CYS H H 64 8.924 8.777 0.147 1
1 407 . 11 1 1 A 64 64 CYS HA H 64 5.403 5.156 0.247 1
1 410 . 11 1 1 A 64 64 CYS N N 64 125.936 119.108 6.828 1
1 411 . 11 1 1 A 65 65 PRO HA H 65 4.375 4.643 -0.268 1
1 418 . 11 1 1 A 66 66 ARG H H 66 8.203 8.582 -0.379 1
1 419 . 11 1 1 A 66 66 ARG HA H 66 4.362 4.778 -0.416 1
1 426 . 11 1 1 A 66 66 ARG N N 66 123.580 120.274 3.306 1
1 427 . 11 1 1 A 67 67 TYR H H 67 8.650 8.708 -0.058 1
1 428 . 11 1 1 A 67 67 TYR HA H 67 4.459 4.890 -0.431 1
1 435 . 11 1 1 A 67 67 TYR N N 67 128.872 122.713 6.159 1
1 5 . 12 1 1 A 2 2 LYS H H 2 8.331 7.836 0.495 1
1 10 . 12 1 1 A 2 2 LYS N N 2 125.285 122.337 2.948 1
1 11 . 12 1 1 A 3 3 GLU H H 3 8.659 8.185 0.474 1
1 12 . 12 1 1 A 3 3 GLU HA H 3 4.322 4.513 -0.191 1
1 17 . 12 1 1 A 3 3 GLU N N 3 125.356 120.098 5.258 1
1 18 . 12 1 1 A 4 4 CYS H H 4 8.116 7.710 0.406 1
1 19 . 12 1 1 A 4 4 CYS HA H 4 4.975 5.602 -0.627 1
1 22 . 12 1 1 A 4 4 CYS N N 4 123.773 120.329 3.444 1
1 23 . 12 1 1 A 5 5 ASP H H 5 8.776 10.370 -1.594 1
1 24 . 12 1 1 A 5 5 ASP HA H 5 4.817 4.689 0.128 1
1 27 . 12 1 1 A 5 5 ASP N N 5 123.756 124.314 -0.558 1
1 28 . 12 1 1 A 6 6 CYS H H 6 6.975 7.288 -0.313 1
1 29 . 12 1 1 A 6 6 CYS HA H 6 4.931 4.911 0.020 1
1 32 . 12 1 1 A 6 6 CYS N N 6 116.724 113.760 2.964 1
1 33 . 12 1 1 A 7 7 SER H H 7 9.659 8.541 1.118 1
1 34 . 12 1 1 A 7 7 SER HA H 7 4.226 4.532 -0.306 1
1 37 . 12 1 1 A 7 7 SER N N 7 123.545 118.946 4.599 1
1 38 . 12 1 1 A 8 8 SER H H 8 7.862 7.779 0.083 1
1 39 . 12 1 1 A 8 8 SER HA H 8 5.137 4.586 0.551 1
1 42 . 12 1 1 A 8 8 SER N N 8 119.712 116.124 3.588 1
1 43 . 12 1 1 A 9 9 PRO HA H 9 4.559 4.632 -0.073 1
1 50 . 12 1 1 A 10 10 GLU H H 10 8.244 8.343 -0.099 1
1 51 . 12 1 1 A 10 10 GLU HA H 10 4.294 4.607 -0.313 1
1 56 . 12 1 1 A 10 10 GLU N N 10 120.855 117.181 3.674 1
1 57 . 12 1 1 A 11 11 ASN H H 11 7.260 7.837 -0.577 1
1 58 . 12 1 1 A 11 11 ASN HA H 11 4.794 5.020 -0.226 1
1 63 . 12 1 1 A 11 11 ASN N N 11 124.776 121.754 3.022 1
1 65 . 12 1 1 A 12 12 PRO HA H 12 4.704 4.440 0.264 1
1 72 . 12 1 1 A 13 13 CYS H H 13 8.931 9.262 -0.331 1
1 73 . 12 1 1 A 13 13 CYS HA H 13 4.648 4.641 0.007 1
1 76 . 12 1 1 A 13 13 CYS N N 13 121.945 115.390 6.555 1
1 77 . 12 1 1 A 14 14 CYS H H 14 7.543 7.352 0.191 1
1 78 . 12 1 1 A 14 14 CYS HA H 14 5.056 5.206 -0.150 1
1 81 . 12 1 1 A 14 14 CYS N N 14 116.460 116.840 -0.380 1
1 82 . 12 1 1 A 15 15 ASP H H 15 8.212 9.309 -1.097 1
1 83 . 12 1 1 A 15 15 ASP HA H 15 4.570 4.847 -0.277 1
1 86 . 12 1 1 A 15 15 ASP N N 15 125.197 122.239 2.958 1
1 87 . 12 1 1 A 16 16 ALA H H 16 8.996 9.037 -0.041 1
1 88 . 12 1 1 A 16 16 ALA HA H 16 4.148 3.997 0.151 1
1 92 . 12 1 1 A 16 16 ALA N N 16 135.341 128.997 6.344 1
1 93 . 12 1 1 A 17 17 ALA H H 17 8.669 7.887 0.782 1
1 94 . 12 1 1 A 17 17 ALA HA H 17 4.361 4.038 0.323 1
1 98 . 12 1 1 A 17 17 ALA N N 17 121.910 118.841 3.069 1
1 99 . 12 1 1 A 18 18 THR H H 18 7.743 7.745 -0.002 1
1 100 . 12 1 1 A 18 18 THR HA H 18 4.445 4.468 -0.023 1
1 105 . 12 1 1 A 18 18 THR N N 18 109.481 109.383 0.098 1
1 106 . 12 1 1 A 19 19 CYS H H 19 8.601 8.492 0.109 1
1 107 . 12 1 1 A 19 19 CYS HA H 19 4.642 4.158 0.484 1
1 110 . 12 1 1 A 19 19 CYS N N 19 123.176 120.495 2.681 1
1 111 . 12 1 1 A 20 20 LYS H H 20 7.964 7.766 0.198 1
1 112 . 12 1 1 A 20 20 LYS HA H 20 4.945 4.696 0.249 1
1 117 . 12 1 1 A 20 20 LYS N N 20 122.525 121.069 1.456 1
1 118 . 12 1 1 A 21 21 LEU H H 21 9.211 8.392 0.819 1
1 119 . 12 1 1 A 21 21 LEU HA H 21 4.285 4.686 -0.401 1
1 129 . 12 1 1 A 21 21 LEU N N 21 124.582 121.126 3.456 1
1 130 . 12 1 1 A 22 22 ARG H H 22 8.490 8.162 0.328 1
1 131 . 12 1 1 A 22 22 ARG HA H 22 4.448 4.714 -0.266 1
1 137 . 12 1 1 A 22 22 ARG N N 22 126.604 120.824 5.780 1
1 139 . 12 1 1 A 23 23 PRO HA H 23 4.389 4.412 -0.023 1
1 144 . 12 1 1 A 24 24 GLY H H 24 8.830 8.433 0.397 1
1 145 . 12 1 1 A 24 24 GLY HA2 H 24 4.295 3.933 0.362 1
1 146 . 12 1 1 A 24 24 GLY HA3 H 24 3.664 3.936 -0.272 1
1 147 . 12 1 1 A 24 24 GLY N N 24 117.708 106.441 11.267 1
1 148 . 12 1 1 A 25 25 ALA H H 25 7.942 7.606 0.336 1
1 149 . 12 1 1 A 25 25 ALA HA H 25 4.540 4.694 -0.154 1
1 153 . 12 1 1 A 25 25 ALA N N 25 127.553 121.461 6.092 1
1 154 . 12 1 1 A 26 26 GLN H H 26 8.827 8.832 -0.005 1
1 155 . 12 1 1 A 26 26 GLN HA H 26 4.113 4.318 -0.205 1
1 162 . 12 1 1 A 26 26 GLN N N 26 122.086 118.550 3.536 1
1 164 . 12 1 1 A 27 27 CYS H H 27 7.805 7.970 -0.165 1
1 165 . 12 1 1 A 27 27 CYS HA H 27 4.555 4.686 -0.131 1
1 168 . 12 1 1 A 27 27 CYS N N 27 117.409 115.037 2.372 1
1 169 . 12 1 1 A 28 28 GLY H H 28 9.163 8.652 0.511 1
1 170 . 12 1 1 A 28 28 GLY HA2 H 28 4.446 3.833 0.613 1
1 171 . 12 1 1 A 28 28 GLY HA3 H 28 3.574 3.848 -0.274 1
1 172 . 12 1 1 A 28 28 GLY N N 28 109.041 113.997 -4.956 1
1 173 . 12 1 1 A 29 29 GLU H H 29 7.844 7.871 -0.027 1
1 174 . 12 1 1 A 29 29 GLU HA H 29 4.782 4.863 -0.081 1
1 179 . 12 1 1 A 29 29 GLU N N 29 122.174 114.715 7.459 1
1 180 . 12 1 1 A 30 30 GLY H H 30 8.391 8.429 -0.038 1
1 181 . 12 1 1 A 30 30 GLY HA2 H 30 4.915 4.291 0.624 1
1 182 . 12 1 1 A 30 30 GLY HA3 H 30 3.925 4.302 -0.377 1
1 183 . 12 1 1 A 30 30 GLY N N 30 112.663 107.510 5.153 1
1 184 . 12 1 1 A 31 31 LEU H H 31 8.960 8.848 0.112 1
1 185 . 12 1 1 A 31 31 LEU HA H 31 4.354 4.003 0.351 1
1 195 . 12 1 1 A 31 31 LEU N N 31 125.039 120.211 4.828 1
1 196 . 12 1 1 A 32 32 CYS H H 32 8.467 8.479 -0.012 1
1 197 . 12 1 1 A 32 32 CYS HA H 32 5.108 4.736 0.372 1
1 200 . 12 1 1 A 32 32 CYS N N 32 119.167 113.226 5.941 1
1 201 . 12 1 1 A 33 33 CYS H H 33 7.365 7.999 -0.634 1
1 202 . 12 1 1 A 33 33 CYS HA H 33 5.291 5.729 -0.438 1
1 205 . 12 1 1 A 33 33 CYS N N 33 125.303 120.987 4.316 1
1 206 . 12 1 1 A 34 34 GLU H H 34 9.742 8.640 1.102 1
1 207 . 12 1 1 A 34 34 GLU HA H 34 4.682 4.556 0.126 1
1 212 . 12 1 1 A 34 34 GLU N N 34 132.652 126.429 6.223 1
1 213 . 12 1 1 A 35 35 GLN H H 35 9.453 9.434 0.019 1
1 214 . 12 1 1 A 35 35 GLN HA H 35 3.999 3.912 0.087 1
1 219 . 12 1 1 A 35 35 GLN N N 35 129.593 126.368 3.225 1
1 221 . 12 1 1 A 36 36 CYS H H 36 8.492 8.407 0.085 1
1 222 . 12 1 1 A 36 36 CYS HA H 36 4.801 4.567 0.234 1
1 225 . 12 1 1 A 36 36 CYS N N 36 109.569 109.226 0.343 1
1 226 . 12 1 1 A 37 37 LYS H H 37 8.024 7.551 0.473 1
1 227 . 12 1 1 A 37 37 LYS HA H 37 4.703 4.678 0.025 1
1 236 . 12 1 1 A 37 37 LYS N N 37 125.110 119.582 5.528 1
1 237 . 12 1 1 A 38 38 PHE H H 38 8.276 8.453 -0.177 1
1 238 . 12 1 1 A 38 38 PHE HA H 38 5.141 4.516 0.625 1
1 245 . 12 1 1 A 38 38 PHE N N 38 123.897 119.900 3.997 1
1 246 . 12 1 1 A 39 39 SER H H 39 9.044 8.774 0.270 1
1 247 . 12 1 1 A 39 39 SER HA H 39 4.274 4.520 -0.246 1
1 250 . 12 1 1 A 39 39 SER N N 39 125.655 118.219 7.436 1
1 251 . 12 1 1 A 40 40 ARG H H 40 8.573 8.312 0.261 1
1 252 . 12 1 1 A 40 40 ARG HA H 40 4.101 4.647 -0.546 1
1 259 . 12 1 1 A 40 40 ARG N N 40 125.848 121.804 4.044 1
1 260 . 12 1 1 A 41 41 ALA H H 41 8.501 8.533 -0.032 1
1 261 . 12 1 1 A 41 41 ALA HA H 41 3.724 4.041 -0.317 1
1 265 . 12 1 1 A 41 41 ALA N N 41 127.729 124.687 3.042 1
1 266 . 12 1 1 A 42 42 GLY H H 42 8.619 9.383 -0.764 1
1 267 . 12 1 1 A 42 42 GLY HA2 H 42 4.486 3.852 0.634 1
1 268 . 12 1 1 A 42 42 GLY HA3 H 42 3.587 3.856 -0.269 1
1 269 . 12 1 1 A 42 42 GLY N N 42 114.579 109.494 5.085 1
1 270 . 12 1 1 A 43 43 LYS H H 43 7.535 7.454 0.081 1
1 271 . 12 1 1 A 43 43 LYS HA H 43 4.149 4.554 -0.405 1
1 280 . 12 1 1 A 43 43 LYS N N 43 126.780 121.344 5.436 1
1 281 . 12 1 1 A 44 44 ILE H H 44 8.799 8.462 0.337 1
1 282 . 12 1 1 A 44 44 ILE HA H 44 4.035 4.370 -0.335 1
1 290 . 12 1 1 A 44 44 ILE N N 44 128.394 126.339 2.055 1
1 291 . 12 1 1 A 45 45 CYS H H 45 9.336 8.595 0.741 1
1 292 . 12 1 1 A 45 45 CYS HA H 45 5.067 4.489 0.578 1
1 295 . 12 1 1 A 45 45 CYS N N 45 123.510 127.374 -3.864 1
1 296 . 12 1 1 A 46 46 ARG H H 46 7.483 7.420 0.063 1
1 297 . 12 1 1 A 46 46 ARG HA H 46 4.337 4.877 -0.540 1
1 302 . 12 1 1 A 46 46 ARG N N 46 122.966 118.167 4.799 1
1 303 . 12 1 1 A 47 47 ILE H H 47 8.341 9.044 -0.703 1
1 304 . 12 1 1 A 47 47 ILE HA H 47 4.235 5.162 -0.927 1
1 314 . 12 1 1 A 47 47 ILE N N 47 126.231 123.782 2.449 1
1 315 . 12 1 1 A 48 48 ALA H H 48 9.123 8.987 0.136 1
1 316 . 12 1 1 A 48 48 ALA HA H 48 4.182 5.267 -1.085 1
1 320 . 12 1 1 A 48 48 ALA N N 48 130.514 130.318 0.196 1
1 321 . 12 1 1 A 49 49 ARG H H 49 8.023 8.620 -0.597 1
1 322 . 12 1 1 A 49 49 ARG HA H 49 4.446 4.784 -0.338 1
1 327 . 12 1 1 A 49 49 ARG N N 49 119.731 122.722 -2.991 1
1 328 . 12 1 1 A 50 50 GLY H H 50 8.427 8.317 0.110 1
1 329 . 12 1 1 A 50 50 GLY HA2 H 50 3.819 4.105 -0.286 1
1 330 . 12 1 1 A 50 50 GLY HA3 H 50 3.868 4.106 -0.238 1
1 331 . 12 1 1 A 50 50 GLY N N 50 110.845 108.906 1.939 1
1 332 . 12 1 1 A 51 51 ASP H H 51 8.616 8.484 0.132 1
1 333 . 12 1 1 A 51 51 ASP HA H 51 4.709 4.688 0.021 1
1 336 . 12 1 1 A 51 51 ASP N N 51 122.577 121.991 0.586 1
1 337 . 12 1 1 A 52 52 MET H H 52 7.844 7.738 0.106 1
1 338 . 12 1 1 A 52 52 MET HA H 52 4.640 4.845 -0.205 1
1 343 . 12 1 1 A 52 52 MET N N 52 120.326 121.308 -0.982 1
1 344 . 12 1 1 A 53 53 PRO HA H 53 3.950 4.549 -0.599 1
1 351 . 12 1 1 A 54 54 ASP H H 54 7.895 8.323 -0.428 1
1 352 . 12 1 1 A 54 54 ASP HA H 54 4.515 5.069 -0.554 1
1 355 . 12 1 1 A 54 54 ASP N N 54 118.468 119.593 -1.125 1
1 356 . 12 1 1 A 55 55 ASP H H 55 8.529 8.687 -0.158 1
1 357 . 12 1 1 A 55 55 ASP HA H 55 4.954 5.475 -0.521 1
1 360 . 12 1 1 A 55 55 ASP N N 55 121.071 119.007 2.064 1
1 361 . 12 1 1 A 56 56 ARG H H 56 8.294 8.996 -0.702 1
1 362 . 12 1 1 A 56 56 ARG HA H 56 5.215 5.425 -0.210 1
1 367 . 12 1 1 A 56 56 ARG N N 56 119.468 122.516 -3.048 1
1 368 . 12 1 1 A 57 57 CYS H H 57 9.244 9.732 -0.488 1
1 369 . 12 1 1 A 57 57 CYS HA H 57 4.757 4.586 0.171 1
1 372 . 12 1 1 A 57 57 CYS N N 57 119.308 121.336 -2.028 1
1 373 . 12 1 1 A 58 58 THR H H 58 10.180 8.570 1.610 1
1 374 . 12 1 1 A 58 58 THR HA H 58 4.442 4.644 -0.202 1
1 379 . 12 1 1 A 58 58 THR N N 58 117.445 114.807 2.638 1
1 380 . 12 1 1 A 59 59 GLY H H 59 8.546 7.753 0.793 1
1 381 . 12 1 1 A 59 59 GLY HA2 H 59 4.460 3.956 0.504 1
1 382 . 12 1 1 A 59 59 GLY HA3 H 59 4.460 3.984 0.476 1
1 383 . 12 1 1 A 59 59 GLY N N 59 115.880 110.344 5.536 1
1 384 . 12 1 1 A 60 60 GLN H H 60 7.986 7.519 0.467 1
1 385 . 12 1 1 A 60 60 GLN HA H 60 4.298 3.866 0.432 1
1 388 . 12 1 1 A 60 60 GLN N N 60 119.027 117.989 1.038 1
1 390 . 12 1 1 A 61 61 SER H H 61 6.630 7.512 -0.882 1
1 391 . 12 1 1 A 61 61 SER HA H 61 3.880 4.529 -0.649 1
1 394 . 12 1 1 A 61 61 SER N N 61 114.913 115.699 -0.786 1
1 395 . 12 1 1 A 62 62 ALA H H 62 9.027 8.941 0.086 1
1 396 . 12 1 1 A 62 62 ALA HA H 62 4.435 4.562 -0.127 1
1 400 . 12 1 1 A 62 62 ALA N N 62 129.628 127.761 1.867 1
1 401 . 12 1 1 A 63 63 ASP H H 63 8.080 8.079 0.001 1
1 402 . 12 1 1 A 63 63 ASP HA H 63 4.895 4.747 0.148 1
1 405 . 12 1 1 A 63 63 ASP N N 63 121.506 116.003 5.503 1
1 406 . 12 1 1 A 64 64 CYS H H 64 8.924 8.617 0.307 1
1 407 . 12 1 1 A 64 64 CYS HA H 64 5.403 5.184 0.219 1
1 410 . 12 1 1 A 64 64 CYS N N 64 125.936 119.718 6.218 1
1 411 . 12 1 1 A 65 65 PRO HA H 65 4.375 4.627 -0.252 1
1 418 . 12 1 1 A 66 66 ARG H H 66 8.203 8.327 -0.124 1
1 419 . 12 1 1 A 66 66 ARG HA H 66 4.362 4.841 -0.479 1
1 426 . 12 1 1 A 66 66 ARG N N 66 123.580 120.449 3.131 1
1 427 . 12 1 1 A 67 67 TYR H H 67 8.650 8.441 0.209 1
1 428 . 12 1 1 A 67 67 TYR HA H 67 4.459 5.065 -0.606 1
1 435 . 12 1 1 A 67 67 TYR N N 67 128.872 117.740 11.132 1
1 5 . 13 1 1 A 2 2 LYS H H 2 8.331 7.597 0.734 1
1 10 . 13 1 1 A 2 2 LYS N N 2 125.285 119.409 5.876 1
1 11 . 13 1 1 A 3 3 GLU H H 3 8.659 8.494 0.165 1
1 12 . 13 1 1 A 3 3 GLU HA H 3 4.322 4.365 -0.043 1
1 17 . 13 1 1 A 3 3 GLU N N 3 125.356 119.839 5.517 1
1 18 . 13 1 1 A 4 4 CYS H H 4 8.116 7.727 0.389 1
1 19 . 13 1 1 A 4 4 CYS HA H 4 4.975 5.661 -0.686 1
1 22 . 13 1 1 A 4 4 CYS N N 4 123.773 118.741 5.032 1
1 23 . 13 1 1 A 5 5 ASP H H 5 8.776 10.244 -1.468 1
1 24 . 13 1 1 A 5 5 ASP HA H 5 4.817 4.845 -0.028 1
1 27 . 13 1 1 A 5 5 ASP N N 5 123.756 120.604 3.152 1
1 28 . 13 1 1 A 6 6 CYS H H 6 6.975 7.440 -0.465 1
1 29 . 13 1 1 A 6 6 CYS HA H 6 4.931 4.858 0.073 1
1 32 . 13 1 1 A 6 6 CYS N N 6 116.724 114.419 2.305 1
1 33 . 13 1 1 A 7 7 SER H H 7 9.659 8.966 0.693 1
1 34 . 13 1 1 A 7 7 SER HA H 7 4.226 4.299 -0.073 1
1 37 . 13 1 1 A 7 7 SER N N 7 123.545 118.937 4.608 1
1 38 . 13 1 1 A 8 8 SER H H 8 7.862 7.889 -0.027 1
1 39 . 13 1 1 A 8 8 SER HA H 8 5.137 4.807 0.330 1
1 42 . 13 1 1 A 8 8 SER N N 8 119.712 117.961 1.751 1
1 43 . 13 1 1 A 9 9 PRO HA H 9 4.559 4.547 0.012 1
1 50 . 13 1 1 A 10 10 GLU H H 10 8.244 8.237 0.007 1
1 51 . 13 1 1 A 10 10 GLU HA H 10 4.294 4.549 -0.255 1
1 56 . 13 1 1 A 10 10 GLU N N 10 120.855 117.438 3.417 1
1 57 . 13 1 1 A 11 11 ASN H H 11 7.260 7.404 -0.144 1
1 58 . 13 1 1 A 11 11 ASN HA H 11 4.794 4.926 -0.132 1
1 63 . 13 1 1 A 11 11 ASN N N 11 124.776 120.512 4.264 1
1 65 . 13 1 1 A 12 12 PRO HA H 12 4.704 4.358 0.346 1
1 72 . 13 1 1 A 13 13 CYS H H 13 8.931 8.378 0.553 1
1 73 . 13 1 1 A 13 13 CYS HA H 13 4.648 4.403 0.245 1
1 76 . 13 1 1 A 13 13 CYS N N 13 121.945 114.462 7.483 1
1 77 . 13 1 1 A 14 14 CYS H H 14 7.543 7.519 0.024 1
1 78 . 13 1 1 A 14 14 CYS HA H 14 5.056 4.801 0.255 1
1 81 . 13 1 1 A 14 14 CYS N N 14 116.460 119.588 -3.128 1
1 82 . 13 1 1 A 15 15 ASP H H 15 8.212 9.090 -0.878 1
1 83 . 13 1 1 A 15 15 ASP HA H 15 4.570 4.989 -0.419 1
1 86 . 13 1 1 A 15 15 ASP N N 15 125.197 124.498 0.699 1
1 87 . 13 1 1 A 16 16 ALA H H 16 8.996 8.845 0.151 1
1 88 . 13 1 1 A 16 16 ALA HA H 16 4.148 3.921 0.227 1
1 92 . 13 1 1 A 16 16 ALA N N 16 135.341 128.250 7.091 1
1 93 . 13 1 1 A 17 17 ALA H H 17 8.669 7.675 0.994 1
1 94 . 13 1 1 A 17 17 ALA HA H 17 4.361 4.099 0.262 1
1 98 . 13 1 1 A 17 17 ALA N N 17 121.910 119.949 1.961 1
1 99 . 13 1 1 A 18 18 THR H H 18 7.743 7.594 0.149 1
1 100 . 13 1 1 A 18 18 THR HA H 18 4.445 4.574 -0.129 1
1 105 . 13 1 1 A 18 18 THR N N 18 109.481 109.244 0.237 1
1 106 . 13 1 1 A 19 19 CYS H H 19 8.601 8.006 0.595 1
1 107 . 13 1 1 A 19 19 CYS HA H 19 4.642 4.226 0.416 1
1 110 . 13 1 1 A 19 19 CYS N N 19 123.176 120.447 2.729 1
1 111 . 13 1 1 A 20 20 LYS H H 20 7.964 7.259 0.705 1
1 112 . 13 1 1 A 20 20 LYS HA H 20 4.945 4.724 0.221 1
1 117 . 13 1 1 A 20 20 LYS N N 20 122.525 120.218 2.307 1
1 118 . 13 1 1 A 21 21 LEU H H 21 9.211 8.726 0.485 1
1 119 . 13 1 1 A 21 21 LEU HA H 21 4.285 4.921 -0.636 1
1 129 . 13 1 1 A 21 21 LEU N N 21 124.582 121.508 3.074 1
1 130 . 13 1 1 A 22 22 ARG H H 22 8.490 9.050 -0.560 1
1 131 . 13 1 1 A 22 22 ARG HA H 22 4.448 4.411 0.037 1
1 137 . 13 1 1 A 22 22 ARG N N 22 126.604 123.253 3.351 1
1 139 . 13 1 1 A 23 23 PRO HA H 23 4.389 4.505 -0.116 1
1 144 . 13 1 1 A 24 24 GLY H H 24 8.830 8.330 0.500 1
1 145 . 13 1 1 A 24 24 GLY HA2 H 24 4.295 3.917 0.378 1
1 146 . 13 1 1 A 24 24 GLY HA3 H 24 3.664 3.920 -0.256 1
1 147 . 13 1 1 A 24 24 GLY N N 24 117.708 105.923 11.785 1
1 148 . 13 1 1 A 25 25 ALA H H 25 7.942 7.783 0.159 1
1 149 . 13 1 1 A 25 25 ALA HA H 25 4.540 4.192 0.348 1
1 153 . 13 1 1 A 25 25 ALA N N 25 127.553 123.069 4.484 1
1 154 . 13 1 1 A 26 26 GLN H H 26 8.827 8.194 0.633 1
1 155 . 13 1 1 A 26 26 GLN HA H 26 4.113 3.974 0.139 1
1 162 . 13 1 1 A 26 26 GLN N N 26 122.086 117.852 4.234 1
1 164 . 13 1 1 A 27 27 CYS H H 27 7.805 7.603 0.202 1
1 165 . 13 1 1 A 27 27 CYS HA H 27 4.555 4.595 -0.040 1
1 168 . 13 1 1 A 27 27 CYS N N 27 117.409 115.683 1.726 1
1 169 . 13 1 1 A 28 28 GLY H H 28 9.163 8.426 0.737 1
1 170 . 13 1 1 A 28 28 GLY HA2 H 28 4.446 4.057 0.389 1
1 171 . 13 1 1 A 28 28 GLY HA3 H 28 3.574 4.070 -0.496 1
1 172 . 13 1 1 A 28 28 GLY N N 28 109.041 110.019 -0.978 1
1 173 . 13 1 1 A 29 29 GLU H H 29 7.844 7.998 -0.154 1
1 174 . 13 1 1 A 29 29 GLU HA H 29 4.782 4.807 -0.025 1
1 179 . 13 1 1 A 29 29 GLU N N 29 122.174 115.042 7.132 1
1 180 . 13 1 1 A 30 30 GLY H H 30 8.391 8.452 -0.061 1
1 181 . 13 1 1 A 30 30 GLY HA2 H 30 4.915 4.270 0.645 1
1 182 . 13 1 1 A 30 30 GLY HA3 H 30 3.925 4.294 -0.369 1
1 183 . 13 1 1 A 30 30 GLY N N 30 112.663 107.640 5.023 1
1 184 . 13 1 1 A 31 31 LEU H H 31 8.960 9.010 -0.050 1
1 185 . 13 1 1 A 31 31 LEU HA H 31 4.354 3.926 0.428 1
1 195 . 13 1 1 A 31 31 LEU N N 31 125.039 121.931 3.108 1
1 196 . 13 1 1 A 32 32 CYS H H 32 8.467 8.623 -0.156 1
1 197 . 13 1 1 A 32 32 CYS HA H 32 5.108 4.988 0.120 1
1 200 . 13 1 1 A 32 32 CYS N N 32 119.167 114.931 4.236 1
1 201 . 13 1 1 A 33 33 CYS H H 33 7.365 8.147 -0.782 1
1 202 . 13 1 1 A 33 33 CYS HA H 33 5.291 5.651 -0.360 1
1 205 . 13 1 1 A 33 33 CYS N N 33 125.303 119.896 5.407 1
1 206 . 13 1 1 A 34 34 GLU H H 34 9.742 9.733 0.009 1
1 207 . 13 1 1 A 34 34 GLU HA H 34 4.682 4.575 0.107 1
1 212 . 13 1 1 A 34 34 GLU N N 34 132.652 126.757 5.895 1
1 213 . 13 1 1 A 35 35 GLN H H 35 9.453 9.448 0.005 1
1 214 . 13 1 1 A 35 35 GLN HA H 35 3.999 3.926 0.073 1
1 219 . 13 1 1 A 35 35 GLN N N 35 129.593 126.407 3.186 1
1 221 . 13 1 1 A 36 36 CYS H H 36 8.492 8.428 0.064 1
1 222 . 13 1 1 A 36 36 CYS HA H 36 4.801 4.097 0.704 1
1 225 . 13 1 1 A 36 36 CYS N N 36 109.569 109.119 0.450 1
1 226 . 13 1 1 A 37 37 LYS H H 37 8.024 7.467 0.557 1
1 227 . 13 1 1 A 37 37 LYS HA H 37 4.703 5.195 -0.492 1
1 236 . 13 1 1 A 37 37 LYS N N 37 125.110 119.277 5.833 1
1 237 . 13 1 1 A 38 38 PHE H H 38 8.276 8.525 -0.249 1
1 238 . 13 1 1 A 38 38 PHE HA H 38 5.141 4.745 0.396 1
1 245 . 13 1 1 A 38 38 PHE N N 38 123.897 120.925 2.972 1
1 246 . 13 1 1 A 39 39 SER H H 39 9.044 9.672 -0.628 1
1 247 . 13 1 1 A 39 39 SER HA H 39 4.274 4.628 -0.354 1
1 250 . 13 1 1 A 39 39 SER N N 39 125.655 117.399 8.256 1
1 251 . 13 1 1 A 40 40 ARG H H 40 8.573 8.411 0.162 1
1 252 . 13 1 1 A 40 40 ARG HA H 40 4.101 4.827 -0.726 1
1 259 . 13 1 1 A 40 40 ARG N N 40 125.848 120.234 5.614 1
1 260 . 13 1 1 A 41 41 ALA H H 41 8.501 8.495 0.006 1
1 261 . 13 1 1 A 41 41 ALA HA H 41 3.724 4.459 -0.735 1
1 265 . 13 1 1 A 41 41 ALA N N 41 127.729 123.019 4.710 1
1 266 . 13 1 1 A 42 42 GLY H H 42 8.619 9.954 -1.335 1
1 267 . 13 1 1 A 42 42 GLY HA2 H 42 4.486 3.850 0.636 1
1 268 . 13 1 1 A 42 42 GLY HA3 H 42 3.587 3.851 -0.264 1
1 269 . 13 1 1 A 42 42 GLY N N 42 114.579 110.470 4.109 1
1 270 . 13 1 1 A 43 43 LYS H H 43 7.535 7.662 -0.127 1
1 271 . 13 1 1 A 43 43 LYS HA H 43 4.149 4.674 -0.525 1
1 280 . 13 1 1 A 43 43 LYS N N 43 126.780 119.302 7.478 1
1 281 . 13 1 1 A 44 44 ILE H H 44 8.799 8.982 -0.183 1
1 282 . 13 1 1 A 44 44 ILE HA H 44 4.035 4.039 -0.004 1
1 290 . 13 1 1 A 44 44 ILE N N 44 128.394 126.766 1.628 1
1 291 . 13 1 1 A 45 45 CYS H H 45 9.336 8.495 0.841 1
1 292 . 13 1 1 A 45 45 CYS HA H 45 5.067 4.743 0.324 1
1 295 . 13 1 1 A 45 45 CYS N N 45 123.510 125.376 -1.866 1
1 296 . 13 1 1 A 46 46 ARG H H 46 7.483 7.317 0.166 1
1 297 . 13 1 1 A 46 46 ARG HA H 46 4.337 4.965 -0.628 1
1 302 . 13 1 1 A 46 46 ARG N N 46 122.966 120.381 2.585 1
1 303 . 13 1 1 A 47 47 ILE H H 47 8.341 8.699 -0.358 1
1 304 . 13 1 1 A 47 47 ILE HA H 47 4.235 4.650 -0.415 1
1 314 . 13 1 1 A 47 47 ILE N N 47 126.231 127.426 -1.195 1
1 315 . 13 1 1 A 48 48 ALA H H 48 9.123 9.820 -0.697 1
1 316 . 13 1 1 A 48 48 ALA HA H 48 4.182 4.420 -0.238 1
1 320 . 13 1 1 A 48 48 ALA N N 48 130.514 130.433 0.081 1
1 321 . 13 1 1 A 49 49 ARG H H 49 8.023 8.947 -0.924 1
1 322 . 13 1 1 A 49 49 ARG HA H 49 4.446 4.594 -0.148 1
1 327 . 13 1 1 A 49 49 ARG N N 49 119.731 121.806 -2.075 1
1 328 . 13 1 1 A 50 50 GLY H H 50 8.427 7.479 0.948 1
1 329 . 13 1 1 A 50 50 GLY HA2 H 50 3.819 4.095 -0.276 1
1 330 . 13 1 1 A 50 50 GLY HA3 H 50 3.868 4.096 -0.228 1
1 331 . 13 1 1 A 50 50 GLY N N 50 110.845 107.018 3.827 1
1 332 . 13 1 1 A 51 51 ASP H H 51 8.616 8.388 0.228 1
1 333 . 13 1 1 A 51 51 ASP HA H 51 4.709 4.663 0.046 1
1 336 . 13 1 1 A 51 51 ASP N N 51 122.577 124.820 -2.243 1
1 337 . 13 1 1 A 52 52 MET H H 52 7.844 7.509 0.335 1
1 338 . 13 1 1 A 52 52 MET HA H 52 4.640 4.724 -0.084 1
1 343 . 13 1 1 A 52 52 MET N N 52 120.326 118.366 1.960 1
1 344 . 13 1 1 A 53 53 PRO HA H 53 3.950 4.590 -0.640 1
1 351 . 13 1 1 A 54 54 ASP H H 54 7.895 8.456 -0.561 1
1 352 . 13 1 1 A 54 54 ASP HA H 54 4.515 5.163 -0.648 1
1 355 . 13 1 1 A 54 54 ASP N N 54 118.468 120.231 -1.763 1
1 356 . 13 1 1 A 55 55 ASP H H 55 8.529 8.863 -0.334 1
1 357 . 13 1 1 A 55 55 ASP HA H 55 4.954 4.881 0.073 1
1 360 . 13 1 1 A 55 55 ASP N N 55 121.071 124.816 -3.745 1
1 361 . 13 1 1 A 56 56 ARG H H 56 8.294 8.752 -0.458 1
1 362 . 13 1 1 A 56 56 ARG HA H 56 5.215 5.057 0.158 1
1 367 . 13 1 1 A 56 56 ARG N N 56 119.468 123.772 -4.304 1
1 368 . 13 1 1 A 57 57 CYS H H 57 9.244 10.230 -0.986 1
1 369 . 13 1 1 A 57 57 CYS HA H 57 4.757 4.567 0.190 1
1 372 . 13 1 1 A 57 57 CYS N N 57 119.308 121.032 -1.724 1
1 373 . 13 1 1 A 58 58 THR H H 58 10.180 8.466 1.714 1
1 374 . 13 1 1 A 58 58 THR HA H 58 4.442 4.523 -0.081 1
1 379 . 13 1 1 A 58 58 THR N N 58 117.445 116.702 0.743 1
1 380 . 13 1 1 A 59 59 GLY H H 59 8.546 7.788 0.758 1
1 381 . 13 1 1 A 59 59 GLY HA2 H 59 4.460 3.881 0.579 1
1 382 . 13 1 1 A 59 59 GLY HA3 H 59 4.460 3.893 0.567 1
1 383 . 13 1 1 A 59 59 GLY N N 59 115.880 110.044 5.836 1
1 384 . 13 1 1 A 60 60 GLN H H 60 7.986 7.919 0.067 1
1 385 . 13 1 1 A 60 60 GLN HA H 60 4.298 3.969 0.329 1
1 388 . 13 1 1 A 60 60 GLN N N 60 119.027 117.187 1.840 1
1 390 . 13 1 1 A 61 61 SER H H 61 6.630 6.946 -0.316 1
1 391 . 13 1 1 A 61 61 SER HA H 61 3.880 4.325 -0.445 1
1 394 . 13 1 1 A 61 61 SER N N 61 114.913 114.930 -0.017 1
1 395 . 13 1 1 A 62 62 ALA H H 62 9.027 8.848 0.179 1
1 396 . 13 1 1 A 62 62 ALA HA H 62 4.435 4.804 -0.369 1
1 400 . 13 1 1 A 62 62 ALA N N 62 129.628 124.735 4.893 1
1 401 . 13 1 1 A 63 63 ASP H H 63 8.080 7.904 0.176 1
1 402 . 13 1 1 A 63 63 ASP HA H 63 4.895 4.915 -0.020 1
1 405 . 13 1 1 A 63 63 ASP N N 63 121.506 115.832 5.674 1
1 406 . 13 1 1 A 64 64 CYS H H 64 8.924 8.605 0.319 1
1 407 . 13 1 1 A 64 64 CYS HA H 64 5.403 5.138 0.265 1
1 410 . 13 1 1 A 64 64 CYS N N 64 125.936 120.372 5.564 1
1 411 . 13 1 1 A 65 65 PRO HA H 65 4.375 4.588 -0.213 1
1 418 . 13 1 1 A 66 66 ARG H H 66 8.203 8.561 -0.358 1
1 419 . 13 1 1 A 66 66 ARG HA H 66 4.362 4.816 -0.454 1
1 426 . 13 1 1 A 66 66 ARG N N 66 123.580 120.853 2.727 1
1 427 . 13 1 1 A 67 67 TYR H H 67 8.650 8.829 -0.179 1
1 428 . 13 1 1 A 67 67 TYR HA H 67 4.459 4.782 -0.323 1
1 435 . 13 1 1 A 67 67 TYR N N 67 128.872 120.752 8.120 1
1 5 . 14 1 1 A 2 2 LYS H H 2 8.331 9.007 -0.676 1
1 10 . 14 1 1 A 2 2 LYS N N 2 125.285 117.112 8.173 1
1 11 . 14 1 1 A 3 3 GLU H H 3 8.659 8.620 0.039 1
1 12 . 14 1 1 A 3 3 GLU HA H 3 4.322 4.638 -0.316 1
1 17 . 14 1 1 A 3 3 GLU N N 3 125.356 116.703 8.653 1
1 18 . 14 1 1 A 4 4 CYS H H 4 8.116 7.582 0.534 1
1 19 . 14 1 1 A 4 4 CYS HA H 4 4.975 5.640 -0.665 1
1 22 . 14 1 1 A 4 4 CYS N N 4 123.773 118.421 5.352 1
1 23 . 14 1 1 A 5 5 ASP H H 5 8.776 10.551 -1.775 1
1 24 . 14 1 1 A 5 5 ASP HA H 5 4.817 4.713 0.104 1
1 27 . 14 1 1 A 5 5 ASP N N 5 123.756 123.879 -0.123 1
1 28 . 14 1 1 A 6 6 CYS H H 6 6.975 7.525 -0.550 1
1 29 . 14 1 1 A 6 6 CYS HA H 6 4.931 4.996 -0.065 1
1 32 . 14 1 1 A 6 6 CYS N N 6 116.724 114.080 2.644 1
1 33 . 14 1 1 A 7 7 SER H H 7 9.659 8.991 0.668 1
1 34 . 14 1 1 A 7 7 SER HA H 7 4.226 4.634 -0.408 1
1 37 . 14 1 1 A 7 7 SER N N 7 123.545 116.636 6.909 1
1 38 . 14 1 1 A 8 8 SER H H 8 7.862 7.332 0.530 1
1 39 . 14 1 1 A 8 8 SER HA H 8 5.137 4.928 0.209 1
1 42 . 14 1 1 A 8 8 SER N N 8 119.712 116.566 3.146 1
1 43 . 14 1 1 A 9 9 PRO HA H 9 4.559 4.650 -0.091 1
1 50 . 14 1 1 A 10 10 GLU H H 10 8.244 8.178 0.066 1
1 51 . 14 1 1 A 10 10 GLU HA H 10 4.294 4.558 -0.264 1
1 56 . 14 1 1 A 10 10 GLU N N 10 120.855 117.677 3.178 1
1 57 . 14 1 1 A 11 11 ASN H H 11 7.260 7.583 -0.323 1
1 58 . 14 1 1 A 11 11 ASN HA H 11 4.794 5.066 -0.272 1
1 63 . 14 1 1 A 11 11 ASN N N 11 124.776 120.646 4.130 1
1 65 . 14 1 1 A 12 12 PRO HA H 12 4.704 4.443 0.261 1
1 72 . 14 1 1 A 13 13 CYS H H 13 8.931 8.285 0.646 1
1 73 . 14 1 1 A 13 13 CYS HA H 13 4.648 4.725 -0.077 1
1 76 . 14 1 1 A 13 13 CYS N N 13 121.945 114.304 7.641 1
1 77 . 14 1 1 A 14 14 CYS H H 14 7.543 7.275 0.268 1
1 78 . 14 1 1 A 14 14 CYS HA H 14 5.056 5.575 -0.519 1
1 81 . 14 1 1 A 14 14 CYS N N 14 116.460 116.837 -0.377 1
1 82 . 14 1 1 A 15 15 ASP H H 15 8.212 9.105 -0.893 1
1 83 . 14 1 1 A 15 15 ASP HA H 15 4.570 4.545 0.025 1
1 86 . 14 1 1 A 15 15 ASP N N 15 125.197 125.635 -0.438 1
1 87 . 14 1 1 A 16 16 ALA H H 16 8.996 9.014 -0.018 1
1 88 . 14 1 1 A 16 16 ALA HA H 16 4.148 3.972 0.176 1
1 92 . 14 1 1 A 16 16 ALA N N 16 135.341 129.591 5.750 1
1 93 . 14 1 1 A 17 17 ALA H H 17 8.669 7.705 0.964 1
1 94 . 14 1 1 A 17 17 ALA HA H 17 4.361 4.037 0.324 1
1 98 . 14 1 1 A 17 17 ALA N N 17 121.910 119.221 2.689 1
1 99 . 14 1 1 A 18 18 THR H H 18 7.743 7.827 -0.084 1
1 100 . 14 1 1 A 18 18 THR HA H 18 4.445 4.463 -0.018 1
1 105 . 14 1 1 A 18 18 THR N N 18 109.481 109.715 -0.234 1
1 106 . 14 1 1 A 19 19 CYS H H 19 8.601 7.931 0.670 1
1 107 . 14 1 1 A 19 19 CYS HA H 19 4.642 4.440 0.202 1
1 110 . 14 1 1 A 19 19 CYS N N 19 123.176 120.260 2.916 1
1 111 . 14 1 1 A 20 20 LYS H H 20 7.964 7.711 0.253 1
1 112 . 14 1 1 A 20 20 LYS HA H 20 4.945 4.774 0.171 1
1 117 . 14 1 1 A 20 20 LYS N N 20 122.525 120.315 2.210 1
1 118 . 14 1 1 A 21 21 LEU H H 21 9.211 8.751 0.460 1
1 119 . 14 1 1 A 21 21 LEU HA H 21 4.285 4.776 -0.491 1
1 129 . 14 1 1 A 21 21 LEU N N 21 124.582 121.328 3.254 1
1 130 . 14 1 1 A 22 22 ARG H H 22 8.490 8.180 0.310 1
1 131 . 14 1 1 A 22 22 ARG HA H 22 4.448 4.458 -0.010 1
1 137 . 14 1 1 A 22 22 ARG N N 22 126.604 120.179 6.425 1
1 139 . 14 1 1 A 23 23 PRO HA H 23 4.389 4.496 -0.107 1
1 144 . 14 1 1 A 24 24 GLY H H 24 8.830 8.323 0.507 1
1 145 . 14 1 1 A 24 24 GLY HA2 H 24 4.295 3.856 0.439 1
1 146 . 14 1 1 A 24 24 GLY HA3 H 24 3.664 3.857 -0.193 1
1 147 . 14 1 1 A 24 24 GLY N N 24 117.708 106.628 11.080 1
1 148 . 14 1 1 A 25 25 ALA H H 25 7.942 7.875 0.067 1
1 149 . 14 1 1 A 25 25 ALA HA H 25 4.540 4.221 0.319 1
1 153 . 14 1 1 A 25 25 ALA N N 25 127.553 122.738 4.815 1
1 154 . 14 1 1 A 26 26 GLN H H 26 8.827 8.092 0.735 1
1 155 . 14 1 1 A 26 26 GLN HA H 26 4.113 3.924 0.189 1
1 162 . 14 1 1 A 26 26 GLN N N 26 122.086 120.599 1.487 1
1 164 . 14 1 1 A 27 27 CYS H H 27 7.805 6.938 0.867 1
1 165 . 14 1 1 A 27 27 CYS HA H 27 4.555 5.035 -0.480 1
1 168 . 14 1 1 A 27 27 CYS N N 27 117.409 113.855 3.554 1
1 169 . 14 1 1 A 28 28 GLY H H 28 9.163 8.958 0.205 1
1 170 . 14 1 1 A 28 28 GLY HA2 H 28 4.446 3.832 0.614 1
1 171 . 14 1 1 A 28 28 GLY HA3 H 28 3.574 3.850 -0.276 1
1 172 . 14 1 1 A 28 28 GLY N N 28 109.041 110.381 -1.340 1
1 173 . 14 1 1 A 29 29 GLU H H 29 7.844 7.804 0.040 1
1 174 . 14 1 1 A 29 29 GLU HA H 29 4.782 4.842 -0.060 1
1 179 . 14 1 1 A 29 29 GLU N N 29 122.174 118.763 3.411 1
1 180 . 14 1 1 A 30 30 GLY H H 30 8.391 8.450 -0.059 1
1 181 . 14 1 1 A 30 30 GLY HA2 H 30 4.915 4.243 0.672 1
1 182 . 14 1 1 A 30 30 GLY HA3 H 30 3.925 4.274 -0.349 1
1 183 . 14 1 1 A 30 30 GLY N N 30 112.663 110.578 2.085 1
1 184 . 14 1 1 A 31 31 LEU H H 31 8.960 8.944 0.016 1
1 185 . 14 1 1 A 31 31 LEU HA H 31 4.354 3.896 0.458 1
1 195 . 14 1 1 A 31 31 LEU N N 31 125.039 122.780 2.259 1
1 196 . 14 1 1 A 32 32 CYS H H 32 8.467 8.706 -0.239 1
1 197 . 14 1 1 A 32 32 CYS HA H 32 5.108 4.712 0.396 1
1 200 . 14 1 1 A 32 32 CYS N N 32 119.167 113.156 6.011 1
1 201 . 14 1 1 A 33 33 CYS H H 33 7.365 7.497 -0.132 1
1 202 . 14 1 1 A 33 33 CYS HA H 33 5.291 5.838 -0.547 1
1 205 . 14 1 1 A 33 33 CYS N N 33 125.303 120.402 4.901 1
1 206 . 14 1 1 A 34 34 GLU H H 34 9.742 8.801 0.941 1
1 207 . 14 1 1 A 34 34 GLU HA H 34 4.682 4.723 -0.041 1
1 212 . 14 1 1 A 34 34 GLU N N 34 132.652 125.444 7.208 1
1 213 . 14 1 1 A 35 35 GLN H H 35 9.453 9.447 0.006 1
1 214 . 14 1 1 A 35 35 GLN HA H 35 3.999 3.903 0.096 1
1 219 . 14 1 1 A 35 35 GLN N N 35 129.593 124.133 5.460 1
1 221 . 14 1 1 A 36 36 CYS H H 36 8.492 8.409 0.083 1
1 222 . 14 1 1 A 36 36 CYS HA H 36 4.801 4.186 0.615 1
1 225 . 14 1 1 A 36 36 CYS N N 36 109.569 109.237 0.332 1
1 226 . 14 1 1 A 37 37 LYS H H 37 8.024 7.510 0.514 1
1 227 . 14 1 1 A 37 37 LYS HA H 37 4.703 4.602 0.101 1
1 236 . 14 1 1 A 37 37 LYS N N 37 125.110 119.191 5.919 1
1 237 . 14 1 1 A 38 38 PHE H H 38 8.276 8.077 0.199 1
1 238 . 14 1 1 A 38 38 PHE HA H 38 5.141 4.502 0.639 1
1 245 . 14 1 1 A 38 38 PHE N N 38 123.897 121.093 2.804 1
1 246 . 14 1 1 A 39 39 SER H H 39 9.044 8.680 0.364 1
1 247 . 14 1 1 A 39 39 SER HA H 39 4.274 4.600 -0.326 1
1 250 . 14 1 1 A 39 39 SER N N 39 125.655 119.223 6.432 1
1 251 . 14 1 1 A 40 40 ARG H H 40 8.573 8.381 0.192 1
1 252 . 14 1 1 A 40 40 ARG HA H 40 4.101 4.542 -0.441 1
1 259 . 14 1 1 A 40 40 ARG N N 40 125.848 122.214 3.634 1
1 260 . 14 1 1 A 41 41 ALA H H 41 8.501 8.506 -0.005 1
1 261 . 14 1 1 A 41 41 ALA HA H 41 3.724 4.209 -0.485 1
1 265 . 14 1 1 A 41 41 ALA N N 41 127.729 125.013 2.716 1
1 266 . 14 1 1 A 42 42 GLY H H 42 8.619 9.851 -1.232 1
1 267 . 14 1 1 A 42 42 GLY HA2 H 42 4.486 3.935 0.551 1
1 268 . 14 1 1 A 42 42 GLY HA3 H 42 3.587 3.936 -0.349 1
1 269 . 14 1 1 A 42 42 GLY N N 42 114.579 110.536 4.043 1
1 270 . 14 1 1 A 43 43 LYS H H 43 7.535 7.495 0.040 1
1 271 . 14 1 1 A 43 43 LYS HA H 43 4.149 4.566 -0.417 1
1 280 . 14 1 1 A 43 43 LYS N N 43 126.780 121.453 5.327 1
1 281 . 14 1 1 A 44 44 ILE H H 44 8.799 8.441 0.358 1
1 282 . 14 1 1 A 44 44 ILE HA H 44 4.035 4.441 -0.406 1
1 290 . 14 1 1 A 44 44 ILE N N 44 128.394 126.365 2.029 1
1 291 . 14 1 1 A 45 45 CYS H H 45 9.336 8.711 0.625 1
1 292 . 14 1 1 A 45 45 CYS HA H 45 5.067 4.496 0.571 1
1 295 . 14 1 1 A 45 45 CYS N N 45 123.510 127.249 -3.739 1
1 296 . 14 1 1 A 46 46 ARG H H 46 7.483 7.540 -0.057 1
1 297 . 14 1 1 A 46 46 ARG HA H 46 4.337 4.922 -0.585 1
1 302 . 14 1 1 A 46 46 ARG N N 46 122.966 119.489 3.477 1
1 303 . 14 1 1 A 47 47 ILE H H 47 8.341 8.865 -0.524 1
1 304 . 14 1 1 A 47 47 ILE HA H 47 4.235 4.780 -0.545 1
1 314 . 14 1 1 A 47 47 ILE N N 47 126.231 126.491 -0.260 1
1 315 . 14 1 1 A 48 48 ALA H H 48 9.123 9.133 -0.010 1
1 316 . 14 1 1 A 48 48 ALA HA H 48 4.182 5.370 -1.188 1
1 320 . 14 1 1 A 48 48 ALA N N 48 130.514 131.321 -0.807 1
1 321 . 14 1 1 A 49 49 ARG H H 49 8.023 8.551 -0.528 1
1 322 . 14 1 1 A 49 49 ARG HA H 49 4.446 4.614 -0.168 1
1 327 . 14 1 1 A 49 49 ARG N N 49 119.731 122.724 -2.993 1
1 328 . 14 1 1 A 50 50 GLY H H 50 8.427 8.462 -0.035 1
1 329 . 14 1 1 A 50 50 GLY HA2 H 50 3.819 4.055 -0.236 1
1 330 . 14 1 1 A 50 50 GLY HA3 H 50 3.868 4.059 -0.191 1
1 331 . 14 1 1 A 50 50 GLY N N 50 110.845 108.018 2.827 1
1 332 . 14 1 1 A 51 51 ASP H H 51 8.616 8.514 0.102 1
1 333 . 14 1 1 A 51 51 ASP HA H 51 4.709 4.740 -0.031 1
1 336 . 14 1 1 A 51 51 ASP N N 51 122.577 123.632 -1.055 1
1 337 . 14 1 1 A 52 52 MET H H 52 7.844 7.662 0.182 1
1 338 . 14 1 1 A 52 52 MET HA H 52 4.640 4.850 -0.210 1
1 343 . 14 1 1 A 52 52 MET N N 52 120.326 121.720 -1.394 1
1 344 . 14 1 1 A 53 53 PRO HA H 53 3.950 4.554 -0.604 1
1 351 . 14 1 1 A 54 54 ASP H H 54 7.895 8.329 -0.434 1
1 352 . 14 1 1 A 54 54 ASP HA H 54 4.515 5.183 -0.668 1
1 355 . 14 1 1 A 54 54 ASP N N 54 118.468 119.139 -0.671 1
1 356 . 14 1 1 A 55 55 ASP H H 55 8.529 9.060 -0.531 1
1 357 . 14 1 1 A 55 55 ASP HA H 55 4.954 5.393 -0.439 1
1 360 . 14 1 1 A 55 55 ASP N N 55 121.071 120.311 0.760 1
1 361 . 14 1 1 A 56 56 ARG H H 56 8.294 9.063 -0.769 1
1 362 . 14 1 1 A 56 56 ARG HA H 56 5.215 5.332 -0.117 1
1 367 . 14 1 1 A 56 56 ARG N N 56 119.468 123.411 -3.943 1
1 368 . 14 1 1 A 57 57 CYS H H 57 9.244 9.796 -0.552 1
1 369 . 14 1 1 A 57 57 CYS HA H 57 4.757 4.571 0.186 1
1 372 . 14 1 1 A 57 57 CYS N N 57 119.308 122.112 -2.804 1
1 373 . 14 1 1 A 58 58 THR H H 58 10.180 8.502 1.678 1
1 374 . 14 1 1 A 58 58 THR HA H 58 4.442 4.564 -0.122 1
1 379 . 14 1 1 A 58 58 THR N N 58 117.445 116.119 1.326 1
1 380 . 14 1 1 A 59 59 GLY H H 59 8.546 7.807 0.739 1
1 381 . 14 1 1 A 59 59 GLY HA2 H 59 4.460 3.937 0.523 1
1 382 . 14 1 1 A 59 59 GLY HA3 H 59 4.460 3.955 0.505 1
1 383 . 14 1 1 A 59 59 GLY N N 59 115.880 109.889 5.991 1
1 384 . 14 1 1 A 60 60 GLN H H 60 7.986 7.734 0.252 1
1 385 . 14 1 1 A 60 60 GLN HA H 60 4.298 4.149 0.149 1
1 388 . 14 1 1 A 60 60 GLN N N 60 119.027 117.391 1.636 1
1 390 . 14 1 1 A 61 61 SER H H 61 6.630 7.447 -0.817 1
1 391 . 14 1 1 A 61 61 SER HA H 61 3.880 4.228 -0.348 1
1 394 . 14 1 1 A 61 61 SER N N 61 114.913 115.616 -0.703 1
1 395 . 14 1 1 A 62 62 ALA H H 62 9.027 8.672 0.355 1
1 396 . 14 1 1 A 62 62 ALA HA H 62 4.435 4.582 -0.147 1
1 400 . 14 1 1 A 62 62 ALA N N 62 129.628 127.064 2.564 1
1 401 . 14 1 1 A 63 63 ASP H H 63 8.080 7.946 0.134 1
1 402 . 14 1 1 A 63 63 ASP HA H 63 4.895 4.807 0.088 1
1 405 . 14 1 1 A 63 63 ASP N N 63 121.506 115.909 5.597 1
1 406 . 14 1 1 A 64 64 CYS H H 64 8.924 8.659 0.265 1
1 407 . 14 1 1 A 64 64 CYS HA H 64 5.403 5.222 0.181 1
1 410 . 14 1 1 A 64 64 CYS N N 64 125.936 118.640 7.296 1
1 411 . 14 1 1 A 65 65 PRO HA H 65 4.375 4.578 -0.203 1
1 418 . 14 1 1 A 66 66 ARG H H 66 8.203 8.438 -0.235 1
1 419 . 14 1 1 A 66 66 ARG HA H 66 4.362 4.817 -0.455 1
1 426 . 14 1 1 A 66 66 ARG N N 66 123.580 120.432 3.148 1
1 427 . 14 1 1 A 67 67 TYR H H 67 8.650 8.721 -0.071 1
1 428 . 14 1 1 A 67 67 TYR HA H 67 4.459 4.682 -0.223 1
1 435 . 14 1 1 A 67 67 TYR N N 67 128.872 120.521 8.351 1
1 5 . 15 1 1 A 2 2 LYS H H 2 8.331 8.302 0.029 1
1 10 . 15 1 1 A 2 2 LYS N N 2 125.285 121.000 4.285 1
1 11 . 15 1 1 A 3 3 GLU H H 3 8.659 7.855 0.804 1
1 12 . 15 1 1 A 3 3 GLU HA H 3 4.322 4.509 -0.187 1
1 17 . 15 1 1 A 3 3 GLU N N 3 125.356 119.512 5.844 1
1 18 . 15 1 1 A 4 4 CYS H H 4 8.116 7.703 0.413 1
1 19 . 15 1 1 A 4 4 CYS HA H 4 4.975 5.437 -0.462 1
1 22 . 15 1 1 A 4 4 CYS N N 4 123.773 118.533 5.240 1
1 23 . 15 1 1 A 5 5 ASP H H 5 8.776 10.543 -1.767 1
1 24 . 15 1 1 A 5 5 ASP HA H 5 4.817 4.667 0.150 1
1 27 . 15 1 1 A 5 5 ASP N N 5 123.756 125.189 -1.433 1
1 28 . 15 1 1 A 6 6 CYS H H 6 6.975 7.556 -0.581 1
1 29 . 15 1 1 A 6 6 CYS HA H 6 4.931 5.030 -0.099 1
1 32 . 15 1 1 A 6 6 CYS N N 6 116.724 113.606 3.118 1
1 33 . 15 1 1 A 7 7 SER H H 7 9.659 8.384 1.275 1
1 34 . 15 1 1 A 7 7 SER HA H 7 4.226 4.788 -0.562 1
1 37 . 15 1 1 A 7 7 SER N N 7 123.545 114.578 8.967 1
1 38 . 15 1 1 A 8 8 SER H H 8 7.862 7.638 0.224 1
1 39 . 15 1 1 A 8 8 SER HA H 8 5.137 5.008 0.129 1
1 42 . 15 1 1 A 8 8 SER N N 8 119.712 116.489 3.223 1
1 43 . 15 1 1 A 9 9 PRO HA H 9 4.559 4.571 -0.012 1
1 50 . 15 1 1 A 10 10 GLU H H 10 8.244 8.296 -0.052 1
1 51 . 15 1 1 A 10 10 GLU HA H 10 4.294 4.450 -0.156 1
1 56 . 15 1 1 A 10 10 GLU N N 10 120.855 116.803 4.052 1
1 57 . 15 1 1 A 11 11 ASN H H 11 7.260 7.805 -0.545 1
1 58 . 15 1 1 A 11 11 ASN HA H 11 4.794 4.898 -0.104 1
1 63 . 15 1 1 A 11 11 ASN N N 11 124.776 122.171 2.605 1
1 65 . 15 1 1 A 12 12 PRO HA H 12 4.704 4.452 0.252 1
1 72 . 15 1 1 A 13 13 CYS H H 13 8.931 8.284 0.647 1
1 73 . 15 1 1 A 13 13 CYS HA H 13 4.648 4.745 -0.097 1
1 76 . 15 1 1 A 13 13 CYS N N 13 121.945 115.531 6.414 1
1 77 . 15 1 1 A 14 14 CYS H H 14 7.543 7.201 0.342 1
1 78 . 15 1 1 A 14 14 CYS HA H 14 5.056 5.594 -0.538 1
1 81 . 15 1 1 A 14 14 CYS N N 14 116.460 116.816 -0.356 1
1 82 . 15 1 1 A 15 15 ASP H H 15 8.212 9.072 -0.860 1
1 83 . 15 1 1 A 15 15 ASP HA H 15 4.570 4.628 -0.058 1
1 86 . 15 1 1 A 15 15 ASP N N 15 125.197 125.080 0.117 1
1 87 . 15 1 1 A 16 16 ALA H H 16 8.996 9.049 -0.053 1
1 88 . 15 1 1 A 16 16 ALA HA H 16 4.148 3.990 0.158 1
1 92 . 15 1 1 A 16 16 ALA N N 16 135.341 129.648 5.693 1
1 93 . 15 1 1 A 17 17 ALA H H 17 8.669 7.711 0.958 1
1 94 . 15 1 1 A 17 17 ALA HA H 17 4.361 4.125 0.236 1
1 98 . 15 1 1 A 17 17 ALA N N 17 121.910 119.544 2.366 1
1 99 . 15 1 1 A 18 18 THR H H 18 7.743 7.685 0.058 1
1 100 . 15 1 1 A 18 18 THR HA H 18 4.445 4.455 -0.010 1
1 105 . 15 1 1 A 18 18 THR N N 18 109.481 106.002 3.479 1
1 106 . 15 1 1 A 19 19 CYS H H 19 8.601 8.673 -0.072 1
1 107 . 15 1 1 A 19 19 CYS HA H 19 4.642 4.167 0.475 1
1 110 . 15 1 1 A 19 19 CYS N N 19 123.176 119.529 3.647 1
1 111 . 15 1 1 A 20 20 LYS H H 20 7.964 7.598 0.366 1
1 112 . 15 1 1 A 20 20 LYS HA H 20 4.945 4.719 0.226 1
1 117 . 15 1 1 A 20 20 LYS N N 20 122.525 120.454 2.071 1
1 118 . 15 1 1 A 21 21 LEU H H 21 9.211 8.586 0.625 1
1 119 . 15 1 1 A 21 21 LEU HA H 21 4.285 4.743 -0.458 1
1 129 . 15 1 1 A 21 21 LEU N N 21 124.582 121.341 3.241 1
1 130 . 15 1 1 A 22 22 ARG H H 22 8.490 8.704 -0.214 1
1 131 . 15 1 1 A 22 22 ARG HA H 22 4.448 4.377 0.071 1
1 137 . 15 1 1 A 22 22 ARG N N 22 126.604 123.204 3.400 1
1 139 . 15 1 1 A 23 23 PRO HA H 23 4.389 4.492 -0.103 1
1 144 . 15 1 1 A 24 24 GLY H H 24 8.830 8.331 0.499 1
1 145 . 15 1 1 A 24 24 GLY HA2 H 24 4.295 3.887 0.408 1
1 146 . 15 1 1 A 24 24 GLY HA3 H 24 3.664 3.892 -0.228 1
1 147 . 15 1 1 A 24 24 GLY N N 24 117.708 106.377 11.331 1
1 148 . 15 1 1 A 25 25 ALA H H 25 7.942 7.738 0.204 1
1 149 . 15 1 1 A 25 25 ALA HA H 25 4.540 4.186 0.354 1
1 153 . 15 1 1 A 25 25 ALA N N 25 127.553 123.319 4.234 1
1 154 . 15 1 1 A 26 26 GLN H H 26 8.827 8.569 0.258 1
1 155 . 15 1 1 A 26 26 GLN HA H 26 4.113 3.947 0.166 1
1 162 . 15 1 1 A 26 26 GLN N N 26 122.086 119.351 2.735 1
1 164 . 15 1 1 A 27 27 CYS H H 27 7.805 8.574 -0.769 1
1 165 . 15 1 1 A 27 27 CYS HA H 27 4.555 5.116 -0.561 1
1 168 . 15 1 1 A 27 27 CYS N N 27 117.409 116.135 1.274 1
1 169 . 15 1 1 A 28 28 GLY H H 28 9.163 8.231 0.932 1
1 170 . 15 1 1 A 28 28 GLY HA2 H 28 4.446 3.971 0.475 1
1 171 . 15 1 1 A 28 28 GLY HA3 H 28 3.574 3.972 -0.398 1
1 172 . 15 1 1 A 28 28 GLY N N 28 109.041 114.355 -5.314 1
1 173 . 15 1 1 A 29 29 GLU H H 29 7.844 7.984 -0.140 1
1 174 . 15 1 1 A 29 29 GLU HA H 29 4.782 4.876 -0.094 1
1 179 . 15 1 1 A 29 29 GLU N N 29 122.174 115.192 6.982 1
1 180 . 15 1 1 A 30 30 GLY H H 30 8.391 8.447 -0.056 1
1 181 . 15 1 1 A 30 30 GLY HA2 H 30 4.915 4.276 0.639 1
1 182 . 15 1 1 A 30 30 GLY HA3 H 30 3.925 4.288 -0.363 1
1 183 . 15 1 1 A 30 30 GLY N N 30 112.663 107.742 4.921 1
1 184 . 15 1 1 A 31 31 LEU H H 31 8.960 8.876 0.084 1
1 185 . 15 1 1 A 31 31 LEU HA H 31 4.354 3.933 0.421 1
1 195 . 15 1 1 A 31 31 LEU N N 31 125.039 120.377 4.662 1
1 196 . 15 1 1 A 32 32 CYS H H 32 8.467 8.365 0.102 1
1 197 . 15 1 1 A 32 32 CYS HA H 32 5.108 4.663 0.445 1
1 200 . 15 1 1 A 32 32 CYS N N 32 119.167 113.240 5.927 1
1 201 . 15 1 1 A 33 33 CYS H H 33 7.365 7.669 -0.304 1
1 202 . 15 1 1 A 33 33 CYS HA H 33 5.291 5.674 -0.383 1
1 205 . 15 1 1 A 33 33 CYS N N 33 125.303 119.732 5.571 1
1 206 . 15 1 1 A 34 34 GLU H H 34 9.742 9.011 0.731 1
1 207 . 15 1 1 A 34 34 GLU HA H 34 4.682 4.572 0.110 1
1 212 . 15 1 1 A 34 34 GLU N N 34 132.652 126.636 6.016 1
1 213 . 15 1 1 A 35 35 GLN H H 35 9.453 9.522 -0.069 1
1 214 . 15 1 1 A 35 35 GLN HA H 35 3.999 3.923 0.076 1
1 219 . 15 1 1 A 35 35 GLN N N 35 129.593 126.854 2.739 1
1 221 . 15 1 1 A 36 36 CYS H H 36 8.492 8.459 0.033 1
1 222 . 15 1 1 A 36 36 CYS HA H 36 4.801 4.576 0.225 1
1 225 . 15 1 1 A 36 36 CYS N N 36 109.569 109.305 0.264 1
1 226 . 15 1 1 A 37 37 LYS H H 37 8.024 7.777 0.247 1
1 227 . 15 1 1 A 37 37 LYS HA H 37 4.703 4.769 -0.066 1
1 236 . 15 1 1 A 37 37 LYS N N 37 125.110 119.959 5.151 1
1 237 . 15 1 1 A 38 38 PHE H H 38 8.276 8.076 0.200 1
1 238 . 15 1 1 A 38 38 PHE HA H 38 5.141 4.425 0.716 1
1 245 . 15 1 1 A 38 38 PHE N N 38 123.897 119.750 4.147 1
1 246 . 15 1 1 A 39 39 SER H H 39 9.044 8.615 0.429 1
1 247 . 15 1 1 A 39 39 SER HA H 39 4.274 4.634 -0.360 1
1 250 . 15 1 1 A 39 39 SER N N 39 125.655 118.478 7.177 1
1 251 . 15 1 1 A 40 40 ARG H H 40 8.573 8.391 0.182 1
1 252 . 15 1 1 A 40 40 ARG HA H 40 4.101 4.989 -0.888 1
1 259 . 15 1 1 A 40 40 ARG N N 40 125.848 120.893 4.955 1
1 260 . 15 1 1 A 41 41 ALA H H 41 8.501 8.551 -0.050 1
1 261 . 15 1 1 A 41 41 ALA HA H 41 3.724 4.032 -0.308 1
1 265 . 15 1 1 A 41 41 ALA N N 41 127.729 124.670 3.059 1
1 266 . 15 1 1 A 42 42 GLY H H 42 8.619 9.450 -0.831 1
1 267 . 15 1 1 A 42 42 GLY HA2 H 42 4.486 3.839 0.647 1
1 268 . 15 1 1 A 42 42 GLY HA3 H 42 3.587 3.840 -0.253 1
1 269 . 15 1 1 A 42 42 GLY N N 42 114.579 109.511 5.068 1
1 270 . 15 1 1 A 43 43 LYS H H 43 7.535 7.422 0.113 1
1 271 . 15 1 1 A 43 43 LYS HA H 43 4.149 4.536 -0.387 1
1 280 . 15 1 1 A 43 43 LYS N N 43 126.780 121.248 5.532 1
1 281 . 15 1 1 A 44 44 ILE H H 44 8.799 8.447 0.352 1
1 282 . 15 1 1 A 44 44 ILE HA H 44 4.035 4.605 -0.570 1
1 290 . 15 1 1 A 44 44 ILE N N 44 128.394 126.339 2.055 1
1 291 . 15 1 1 A 45 45 CYS H H 45 9.336 8.626 0.710 1
1 292 . 15 1 1 A 45 45 CYS HA H 45 5.067 4.485 0.582 1
1 295 . 15 1 1 A 45 45 CYS N N 45 123.510 127.360 -3.850 1
1 296 . 15 1 1 A 46 46 ARG H H 46 7.483 7.236 0.247 1
1 297 . 15 1 1 A 46 46 ARG HA H 46 4.337 4.953 -0.616 1
1 302 . 15 1 1 A 46 46 ARG N N 46 122.966 119.741 3.225 1
1 303 . 15 1 1 A 47 47 ILE H H 47 8.341 9.032 -0.691 1
1 304 . 15 1 1 A 47 47 ILE HA H 47 4.235 5.098 -0.863 1
1 314 . 15 1 1 A 47 47 ILE N N 47 126.231 126.988 -0.757 1
1 315 . 15 1 1 A 48 48 ALA H H 48 9.123 8.640 0.483 1
1 316 . 15 1 1 A 48 48 ALA HA H 48 4.182 5.250 -1.068 1
1 320 . 15 1 1 A 48 48 ALA N N 48 130.514 130.511 0.003 1
1 321 . 15 1 1 A 49 49 ARG H H 49 8.023 8.724 -0.701 1
1 322 . 15 1 1 A 49 49 ARG HA H 49 4.446 4.907 -0.461 1
1 327 . 15 1 1 A 49 49 ARG N N 49 119.731 120.929 -1.198 1
1 328 . 15 1 1 A 50 50 GLY H H 50 8.427 8.286 0.141 1
1 329 . 15 1 1 A 50 50 GLY HA2 H 50 3.819 4.182 -0.363 1
1 330 . 15 1 1 A 50 50 GLY HA3 H 50 3.868 4.182 -0.314 1
1 331 . 15 1 1 A 50 50 GLY N N 50 110.845 109.345 1.500 1
1 332 . 15 1 1 A 51 51 ASP H H 51 8.616 8.854 -0.238 1
1 333 . 15 1 1 A 51 51 ASP HA H 51 4.709 4.628 0.081 1
1 336 . 15 1 1 A 51 51 ASP N N 51 122.577 123.773 -1.196 1
1 337 . 15 1 1 A 52 52 MET H H 52 7.844 7.586 0.258 1
1 338 . 15 1 1 A 52 52 MET HA H 52 4.640 4.876 -0.236 1
1 343 . 15 1 1 A 52 52 MET N N 52 120.326 118.239 2.087 1
1 344 . 15 1 1 A 53 53 PRO HA H 53 3.950 4.529 -0.579 1
1 351 . 15 1 1 A 54 54 ASP H H 54 7.895 8.440 -0.545 1
1 352 . 15 1 1 A 54 54 ASP HA H 54 4.515 4.945 -0.430 1
1 355 . 15 1 1 A 54 54 ASP N N 54 118.468 120.912 -2.444 1
1 356 . 15 1 1 A 55 55 ASP H H 55 8.529 8.889 -0.360 1
1 357 . 15 1 1 A 55 55 ASP HA H 55 4.954 5.364 -0.410 1
1 360 . 15 1 1 A 55 55 ASP N N 55 121.071 118.882 2.189 1
1 361 . 15 1 1 A 56 56 ARG H H 56 8.294 8.925 -0.631 1
1 362 . 15 1 1 A 56 56 ARG HA H 56 5.215 5.573 -0.358 1
1 367 . 15 1 1 A 56 56 ARG N N 56 119.468 121.808 -2.340 1
1 368 . 15 1 1 A 57 57 CYS H H 57 9.244 9.667 -0.423 1
1 369 . 15 1 1 A 57 57 CYS HA H 57 4.757 4.560 0.197 1
1 372 . 15 1 1 A 57 57 CYS N N 57 119.308 121.937 -2.629 1
1 373 . 15 1 1 A 58 58 THR H H 58 10.180 8.505 1.675 1
1 374 . 15 1 1 A 58 58 THR HA H 58 4.442 4.659 -0.217 1
1 379 . 15 1 1 A 58 58 THR N N 58 117.445 114.601 2.844 1
1 380 . 15 1 1 A 59 59 GLY H H 59 8.546 7.807 0.739 1
1 381 . 15 1 1 A 59 59 GLY HA2 H 59 4.460 3.972 0.488 1
1 382 . 15 1 1 A 59 59 GLY HA3 H 59 4.460 3.983 0.477 1
1 383 . 15 1 1 A 59 59 GLY N N 59 115.880 110.679 5.201 1
1 384 . 15 1 1 A 60 60 GLN H H 60 7.986 7.574 0.412 1
1 385 . 15 1 1 A 60 60 GLN HA H 60 4.298 4.538 -0.240 1
1 388 . 15 1 1 A 60 60 GLN N N 60 119.027 118.288 0.739 1
1 390 . 15 1 1 A 61 61 SER H H 61 6.630 7.457 -0.827 1
1 391 . 15 1 1 A 61 61 SER HA H 61 3.880 4.333 -0.453 1
1 394 . 15 1 1 A 61 61 SER N N 61 114.913 115.681 -0.768 1
1 395 . 15 1 1 A 62 62 ALA H H 62 9.027 8.348 0.679 1
1 396 . 15 1 1 A 62 62 ALA HA H 62 4.435 3.951 0.484 1
1 400 . 15 1 1 A 62 62 ALA N N 62 129.628 128.446 1.182 1
1 401 . 15 1 1 A 63 63 ASP H H 63 8.080 7.907 0.173 1
1 402 . 15 1 1 A 63 63 ASP HA H 63 4.895 4.697 0.198 1
1 405 . 15 1 1 A 63 63 ASP N N 63 121.506 115.768 5.738 1
1 406 . 15 1 1 A 64 64 CYS H H 64 8.924 8.550 0.374 1
1 407 . 15 1 1 A 64 64 CYS HA H 64 5.403 5.118 0.285 1
1 410 . 15 1 1 A 64 64 CYS N N 64 125.936 118.552 7.384 1
1 411 . 15 1 1 A 65 65 PRO HA H 65 4.375 4.647 -0.272 1
1 418 . 15 1 1 A 66 66 ARG H H 66 8.203 8.502 -0.299 1
1 419 . 15 1 1 A 66 66 ARG HA H 66 4.362 4.746 -0.384 1
1 426 . 15 1 1 A 66 66 ARG N N 66 123.580 120.434 3.146 1
1 427 . 15 1 1 A 67 67 TYR H H 67 8.650 8.773 -0.123 1
1 428 . 15 1 1 A 67 67 TYR HA H 67 4.459 5.149 -0.690 1
1 435 . 15 1 1 A 67 67 TYR N N 67 128.872 122.489 6.383 1
1 5 . 16 1 1 A 2 2 LYS H H 2 8.331 8.090 0.241 1
1 10 . 16 1 1 A 2 2 LYS N N 2 125.285 119.072 6.213 1
1 11 . 16 1 1 A 3 3 GLU H H 3 8.659 8.450 0.209 1
1 12 . 16 1 1 A 3 3 GLU HA H 3 4.322 4.342 -0.020 1
1 17 . 16 1 1 A 3 3 GLU N N 3 125.356 120.554 4.802 1
1 18 . 16 1 1 A 4 4 CYS H H 4 8.116 7.694 0.422 1
1 19 . 16 1 1 A 4 4 CYS HA H 4 4.975 5.519 -0.544 1
1 22 . 16 1 1 A 4 4 CYS N N 4 123.773 118.040 5.733 1
1 23 . 16 1 1 A 5 5 ASP H H 5 8.776 10.218 -1.442 1
1 24 . 16 1 1 A 5 5 ASP HA H 5 4.817 4.677 0.140 1
1 27 . 16 1 1 A 5 5 ASP N N 5 123.756 125.170 -1.414 1
1 28 . 16 1 1 A 6 6 CYS H H 6 6.975 7.379 -0.404 1
1 29 . 16 1 1 A 6 6 CYS HA H 6 4.931 4.837 0.094 1
1 32 . 16 1 1 A 6 6 CYS N N 6 116.724 113.834 2.890 1
1 33 . 16 1 1 A 7 7 SER H H 7 9.659 8.767 0.892 1
1 34 . 16 1 1 A 7 7 SER HA H 7 4.226 4.365 -0.139 1
1 37 . 16 1 1 A 7 7 SER N N 7 123.545 121.471 2.074 1
1 38 . 16 1 1 A 8 8 SER H H 8 7.862 7.945 -0.083 1
1 39 . 16 1 1 A 8 8 SER HA H 8 5.137 4.690 0.447 1
1 42 . 16 1 1 A 8 8 SER N N 8 119.712 116.029 3.683 1
1 43 . 16 1 1 A 9 9 PRO HA H 9 4.559 4.588 -0.029 1
1 50 . 16 1 1 A 10 10 GLU H H 10 8.244 8.508 -0.264 1
1 51 . 16 1 1 A 10 10 GLU HA H 10 4.294 4.453 -0.159 1
1 56 . 16 1 1 A 10 10 GLU N N 10 120.855 115.505 5.350 1
1 57 . 16 1 1 A 11 11 ASN H H 11 7.260 7.843 -0.583 1
1 58 . 16 1 1 A 11 11 ASN HA H 11 4.794 5.006 -0.212 1
1 63 . 16 1 1 A 11 11 ASN N N 11 124.776 120.548 4.228 1
1 65 . 16 1 1 A 12 12 PRO HA H 12 4.704 4.446 0.258 1
1 72 . 16 1 1 A 13 13 CYS H H 13 8.931 8.079 0.852 1
1 73 . 16 1 1 A 13 13 CYS HA H 13 4.648 4.643 0.005 1
1 76 . 16 1 1 A 13 13 CYS N N 13 121.945 114.484 7.461 1
1 77 . 16 1 1 A 14 14 CYS H H 14 7.543 7.316 0.227 1
1 78 . 16 1 1 A 14 14 CYS HA H 14 5.056 5.210 -0.154 1
1 81 . 16 1 1 A 14 14 CYS N N 14 116.460 117.097 -0.637 1
1 82 . 16 1 1 A 15 15 ASP H H 15 8.212 9.499 -1.287 1
1 83 . 16 1 1 A 15 15 ASP HA H 15 4.570 4.882 -0.312 1
1 86 . 16 1 1 A 15 15 ASP N N 15 125.197 122.141 3.056 1
1 87 . 16 1 1 A 16 16 ALA H H 16 8.996 9.048 -0.052 1
1 88 . 16 1 1 A 16 16 ALA HA H 16 4.148 3.996 0.152 1
1 92 . 16 1 1 A 16 16 ALA N N 16 135.341 129.071 6.270 1
1 93 . 16 1 1 A 17 17 ALA H H 17 8.669 8.060 0.609 1
1 94 . 16 1 1 A 17 17 ALA HA H 17 4.361 4.007 0.354 1
1 98 . 16 1 1 A 17 17 ALA N N 17 121.910 119.159 2.751 1
1 99 . 16 1 1 A 18 18 THR H H 18 7.743 7.778 -0.035 1
1 100 . 16 1 1 A 18 18 THR HA H 18 4.445 4.518 -0.073 1
1 105 . 16 1 1 A 18 18 THR N N 18 109.481 109.898 -0.417 1
1 106 . 16 1 1 A 19 19 CYS H H 19 8.601 8.474 0.127 1
1 107 . 16 1 1 A 19 19 CYS HA H 19 4.642 4.156 0.486 1
1 110 . 16 1 1 A 19 19 CYS N N 19 123.176 120.692 2.484 1
1 111 . 16 1 1 A 20 20 LYS H H 20 7.964 7.751 0.213 1
1 112 . 16 1 1 A 20 20 LYS HA H 20 4.945 4.655 0.290 1
1 117 . 16 1 1 A 20 20 LYS N N 20 122.525 121.206 1.319 1
1 118 . 16 1 1 A 21 21 LEU H H 21 9.211 8.348 0.863 1
1 119 . 16 1 1 A 21 21 LEU HA H 21 4.285 4.509 -0.224 1
1 129 . 16 1 1 A 21 21 LEU N N 21 124.582 121.238 3.344 1
1 130 . 16 1 1 A 22 22 ARG H H 22 8.490 8.074 0.416 1
1 131 . 16 1 1 A 22 22 ARG HA H 22 4.448 4.688 -0.240 1
1 137 . 16 1 1 A 22 22 ARG N N 22 126.604 120.426 6.178 1
1 139 . 16 1 1 A 23 23 PRO HA H 23 4.389 4.396 -0.007 1
1 144 . 16 1 1 A 24 24 GLY H H 24 8.830 8.496 0.334 1
1 145 . 16 1 1 A 24 24 GLY HA2 H 24 4.295 3.915 0.380 1
1 146 . 16 1 1 A 24 24 GLY HA3 H 24 3.664 3.918 -0.254 1
1 147 . 16 1 1 A 24 24 GLY N N 24 117.708 106.525 11.183 1
1 148 . 16 1 1 A 25 25 ALA H H 25 7.942 7.593 0.349 1
1 149 . 16 1 1 A 25 25 ALA HA H 25 4.540 4.561 -0.021 1
1 153 . 16 1 1 A 25 25 ALA N N 25 127.553 122.338 5.215 1
1 154 . 16 1 1 A 26 26 GLN H H 26 8.827 9.214 -0.387 1
1 155 . 16 1 1 A 26 26 GLN HA H 26 4.113 4.426 -0.313 1
1 162 . 16 1 1 A 26 26 GLN N N 26 122.086 116.226 5.860 1
1 164 . 16 1 1 A 27 27 CYS H H 27 7.805 7.364 0.441 1
1 165 . 16 1 1 A 27 27 CYS HA H 27 4.555 4.604 -0.049 1
1 168 . 16 1 1 A 27 27 CYS N N 27 117.409 113.154 4.255 1
1 169 . 16 1 1 A 28 28 GLY H H 28 9.163 8.644 0.519 1
1 170 . 16 1 1 A 28 28 GLY HA2 H 28 4.446 3.829 0.617 1
1 171 . 16 1 1 A 28 28 GLY HA3 H 28 3.574 3.846 -0.272 1
1 172 . 16 1 1 A 28 28 GLY N N 28 109.041 109.994 -0.953 1
1 173 . 16 1 1 A 29 29 GLU H H 29 7.844 7.978 -0.134 1
1 174 . 16 1 1 A 29 29 GLU HA H 29 4.782 4.724 0.058 1
1 179 . 16 1 1 A 29 29 GLU N N 29 122.174 114.687 7.487 1
1 180 . 16 1 1 A 30 30 GLY H H 30 8.391 8.480 -0.089 1
1 181 . 16 1 1 A 30 30 GLY HA2 H 30 4.915 4.167 0.748 1
1 182 . 16 1 1 A 30 30 GLY HA3 H 30 3.925 4.184 -0.259 1
1 183 . 16 1 1 A 30 30 GLY N N 30 112.663 107.537 5.126 1
1 184 . 16 1 1 A 31 31 LEU H H 31 8.960 9.212 -0.252 1
1 185 . 16 1 1 A 31 31 LEU HA H 31 4.354 4.288 0.066 1
1 195 . 16 1 1 A 31 31 LEU N N 31 125.039 122.966 2.073 1
1 196 . 16 1 1 A 32 32 CYS H H 32 8.467 8.698 -0.231 1
1 197 . 16 1 1 A 32 32 CYS HA H 32 5.108 4.758 0.350 1
1 200 . 16 1 1 A 32 32 CYS N N 32 119.167 115.283 3.884 1
1 201 . 16 1 1 A 33 33 CYS H H 33 7.365 8.065 -0.700 1
1 202 . 16 1 1 A 33 33 CYS HA H 33 5.291 5.247 0.044 1
1 205 . 16 1 1 A 33 33 CYS N N 33 125.303 121.103 4.200 1
1 206 . 16 1 1 A 34 34 GLU H H 34 9.742 8.578 1.164 1
1 207 . 16 1 1 A 34 34 GLU HA H 34 4.682 4.739 -0.057 1
1 212 . 16 1 1 A 34 34 GLU N N 34 132.652 126.452 6.200 1
1 213 . 16 1 1 A 35 35 GLN H H 35 9.453 9.429 0.024 1
1 214 . 16 1 1 A 35 35 GLN HA H 35 3.999 3.910 0.089 1
1 219 . 16 1 1 A 35 35 GLN N N 35 129.593 123.828 5.765 1
1 221 . 16 1 1 A 36 36 CYS H H 36 8.492 8.404 0.088 1
1 222 . 16 1 1 A 36 36 CYS HA H 36 4.801 4.582 0.219 1
1 225 . 16 1 1 A 36 36 CYS N N 36 109.569 109.273 0.296 1
1 226 . 16 1 1 A 37 37 LYS H H 37 8.024 7.934 0.090 1
1 227 . 16 1 1 A 37 37 LYS HA H 37 4.703 4.583 0.120 1
1 236 . 16 1 1 A 37 37 LYS N N 37 125.110 119.786 5.324 1
1 237 . 16 1 1 A 38 38 PHE H H 38 8.276 8.609 -0.333 1
1 238 . 16 1 1 A 38 38 PHE HA H 38 5.141 4.508 0.633 1
1 245 . 16 1 1 A 38 38 PHE N N 38 123.897 121.607 2.290 1
1 246 . 16 1 1 A 39 39 SER H H 39 9.044 8.423 0.621 1
1 247 . 16 1 1 A 39 39 SER HA H 39 4.274 4.656 -0.382 1
1 250 . 16 1 1 A 39 39 SER N N 39 125.655 118.564 7.091 1
1 251 . 16 1 1 A 40 40 ARG H H 40 8.573 8.376 0.197 1
1 252 . 16 1 1 A 40 40 ARG HA H 40 4.101 4.339 -0.238 1
1 259 . 16 1 1 A 40 40 ARG N N 40 125.848 123.266 2.582 1
1 260 . 16 1 1 A 41 41 ALA H H 41 8.501 8.478 0.023 1
1 261 . 16 1 1 A 41 41 ALA HA H 41 3.724 4.013 -0.289 1
1 265 . 16 1 1 A 41 41 ALA N N 41 127.729 124.983 2.746 1
1 266 . 16 1 1 A 42 42 GLY H H 42 8.619 9.168 -0.549 1
1 267 . 16 1 1 A 42 42 GLY HA2 H 42 4.486 3.858 0.628 1
1 268 . 16 1 1 A 42 42 GLY HA3 H 42 3.587 3.861 -0.274 1
1 269 . 16 1 1 A 42 42 GLY N N 42 114.579 109.991 4.588 1
1 270 . 16 1 1 A 43 43 LYS H H 43 7.535 7.355 0.180 1
1 271 . 16 1 1 A 43 43 LYS HA H 43 4.149 4.632 -0.483 1
1 280 . 16 1 1 A 43 43 LYS N N 43 126.780 120.929 5.851 1
1 281 . 16 1 1 A 44 44 ILE H H 44 8.799 8.903 -0.104 1
1 282 . 16 1 1 A 44 44 ILE HA H 44 4.035 4.037 -0.002 1
1 290 . 16 1 1 A 44 44 ILE N N 44 128.394 126.128 2.266 1
1 291 . 16 1 1 A 45 45 CYS H H 45 9.336 8.453 0.883 1
1 292 . 16 1 1 A 45 45 CYS HA H 45 5.067 4.617 0.450 1
1 295 . 16 1 1 A 45 45 CYS N N 45 123.510 125.570 -2.060 1
1 296 . 16 1 1 A 46 46 ARG H H 46 7.483 7.172 0.311 1
1 297 . 16 1 1 A 46 46 ARG HA H 46 4.337 4.904 -0.567 1
1 302 . 16 1 1 A 46 46 ARG N N 46 122.966 118.875 4.091 1
1 303 . 16 1 1 A 47 47 ILE H H 47 8.341 8.812 -0.471 1
1 304 . 16 1 1 A 47 47 ILE HA H 47 4.235 4.704 -0.469 1
1 314 . 16 1 1 A 47 47 ILE N N 47 126.231 122.665 3.566 1
1 315 . 16 1 1 A 48 48 ALA H H 48 9.123 8.511 0.612 1
1 316 . 16 1 1 A 48 48 ALA HA H 48 4.182 4.908 -0.726 1
1 320 . 16 1 1 A 48 48 ALA N N 48 130.514 132.308 -1.794 1
1 321 . 16 1 1 A 49 49 ARG H H 49 8.023 8.308 -0.285 1
1 322 . 16 1 1 A 49 49 ARG HA H 49 4.446 4.704 -0.258 1
1 327 . 16 1 1 A 49 49 ARG N N 49 119.731 121.585 -1.854 1
1 328 . 16 1 1 A 50 50 GLY H H 50 8.427 8.309 0.118 1
1 329 . 16 1 1 A 50 50 GLY HA2 H 50 3.819 4.124 -0.305 1
1 330 . 16 1 1 A 50 50 GLY HA3 H 50 3.868 4.126 -0.258 1
1 331 . 16 1 1 A 50 50 GLY N N 50 110.845 107.687 3.158 1
1 332 . 16 1 1 A 51 51 ASP H H 51 8.616 8.592 0.024 1
1 333 . 16 1 1 A 51 51 ASP HA H 51 4.709 4.876 -0.167 1
1 336 . 16 1 1 A 51 51 ASP N N 51 122.577 126.615 -4.038 1
1 337 . 16 1 1 A 52 52 MET H H 52 7.844 7.705 0.139 1
1 338 . 16 1 1 A 52 52 MET HA H 52 4.640 4.953 -0.313 1
1 343 . 16 1 1 A 52 52 MET N N 52 120.326 118.990 1.336 1
1 344 . 16 1 1 A 53 53 PRO HA H 53 3.950 4.638 -0.688 1
1 351 . 16 1 1 A 54 54 ASP H H 54 7.895 8.440 -0.545 1
1 352 . 16 1 1 A 54 54 ASP HA H 54 4.515 5.205 -0.690 1
1 355 . 16 1 1 A 54 54 ASP N N 54 118.468 120.082 -1.614 1
1 356 . 16 1 1 A 55 55 ASP H H 55 8.529 8.843 -0.314 1
1 357 . 16 1 1 A 55 55 ASP HA H 55 4.954 4.783 0.171 1
1 360 . 16 1 1 A 55 55 ASP N N 55 121.071 123.970 -2.899 1
1 361 . 16 1 1 A 56 56 ARG H H 56 8.294 8.838 -0.544 1
1 362 . 16 1 1 A 56 56 ARG HA H 56 5.215 5.298 -0.083 1
1 367 . 16 1 1 A 56 56 ARG N N 56 119.468 123.410 -3.942 1
1 368 . 16 1 1 A 57 57 CYS H H 57 9.244 10.283 -1.039 1
1 369 . 16 1 1 A 57 57 CYS HA H 57 4.757 4.547 0.210 1
1 372 . 16 1 1 A 57 57 CYS N N 57 119.308 121.060 -1.752 1
1 373 . 16 1 1 A 58 58 THR H H 58 10.180 8.580 1.600 1
1 374 . 16 1 1 A 58 58 THR HA H 58 4.442 4.529 -0.087 1
1 379 . 16 1 1 A 58 58 THR N N 58 117.445 114.790 2.655 1
1 380 . 16 1 1 A 59 59 GLY H H 59 8.546 7.868 0.678 1
1 381 . 16 1 1 A 59 59 GLY HA2 H 59 4.460 3.954 0.506 1
1 382 . 16 1 1 A 59 59 GLY HA3 H 59 4.460 3.982 0.478 1
1 383 . 16 1 1 A 59 59 GLY N N 59 115.880 110.740 5.140 1
1 384 . 16 1 1 A 60 60 GLN H H 60 7.986 8.073 -0.087 1
1 385 . 16 1 1 A 60 60 GLN HA H 60 4.298 3.889 0.409 1
1 388 . 16 1 1 A 60 60 GLN N N 60 119.027 121.948 -2.921 1
1 390 . 16 1 1 A 61 61 SER H H 61 6.630 7.426 -0.796 1
1 391 . 16 1 1 A 61 61 SER HA H 61 3.880 4.434 -0.554 1
1 394 . 16 1 1 A 61 61 SER N N 61 114.913 115.122 -0.209 1
1 395 . 16 1 1 A 62 62 ALA H H 62 9.027 8.697 0.330 1
1 396 . 16 1 1 A 62 62 ALA HA H 62 4.435 4.640 -0.205 1
1 400 . 16 1 1 A 62 62 ALA N N 62 129.628 126.993 2.635 1
1 401 . 16 1 1 A 63 63 ASP H H 63 8.080 7.930 0.150 1
1 402 . 16 1 1 A 63 63 ASP HA H 63 4.895 4.917 -0.022 1
1 405 . 16 1 1 A 63 63 ASP N N 63 121.506 116.934 4.572 1
1 406 . 16 1 1 A 64 64 CYS H H 64 8.924 8.631 0.293 1
1 407 . 16 1 1 A 64 64 CYS HA H 64 5.403 5.151 0.252 1
1 410 . 16 1 1 A 64 64 CYS N N 64 125.936 120.185 5.751 1
1 411 . 16 1 1 A 65 65 PRO HA H 65 4.375 4.562 -0.187 1
1 418 . 16 1 1 A 66 66 ARG H H 66 8.203 8.259 -0.056 1
1 419 . 16 1 1 A 66 66 ARG HA H 66 4.362 5.033 -0.671 1
1 426 . 16 1 1 A 66 66 ARG N N 66 123.580 117.860 5.720 1
1 427 . 16 1 1 A 67 67 TYR H H 67 8.650 8.737 -0.087 1
1 428 . 16 1 1 A 67 67 TYR HA H 67 4.459 4.621 -0.162 1
1 435 . 16 1 1 A 67 67 TYR N N 67 128.872 117.461 11.411 1
1 5 . 17 1 1 A 2 2 LYS H H 2 8.331 7.951 0.380 1
1 10 . 17 1 1 A 2 2 LYS N N 2 125.285 119.401 5.884 1
1 11 . 17 1 1 A 3 3 GLU H H 3 8.659 8.113 0.546 1
1 12 . 17 1 1 A 3 3 GLU HA H 3 4.322 4.183 0.139 1
1 17 . 17 1 1 A 3 3 GLU N N 3 125.356 118.370 6.986 1
1 18 . 17 1 1 A 4 4 CYS H H 4 8.116 7.479 0.637 1
1 19 . 17 1 1 A 4 4 CYS HA H 4 4.975 5.356 -0.381 1
1 22 . 17 1 1 A 4 4 CYS N N 4 123.773 119.502 4.271 1
1 23 . 17 1 1 A 5 5 ASP H H 5 8.776 9.657 -0.881 1
1 24 . 17 1 1 A 5 5 ASP HA H 5 4.817 4.786 0.031 1
1 27 . 17 1 1 A 5 5 ASP N N 5 123.756 125.642 -1.886 1
1 28 . 17 1 1 A 6 6 CYS H H 6 6.975 7.261 -0.286 1
1 29 . 17 1 1 A 6 6 CYS HA H 6 4.931 4.898 0.033 1
1 32 . 17 1 1 A 6 6 CYS N N 6 116.724 116.177 0.547 1
1 33 . 17 1 1 A 7 7 SER H H 7 9.659 9.101 0.558 1
1 34 . 17 1 1 A 7 7 SER HA H 7 4.226 4.520 -0.294 1
1 37 . 17 1 1 A 7 7 SER N N 7 123.545 116.810 6.735 1
1 38 . 17 1 1 A 8 8 SER H H 8 7.862 8.127 -0.265 1
1 39 . 17 1 1 A 8 8 SER HA H 8 5.137 4.934 0.203 1
1 42 . 17 1 1 A 8 8 SER N N 8 119.712 115.119 4.593 1
1 43 . 17 1 1 A 9 9 PRO HA H 9 4.559 4.565 -0.006 1
1 50 . 17 1 1 A 10 10 GLU H H 10 8.244 8.140 0.104 1
1 51 . 17 1 1 A 10 10 GLU HA H 10 4.294 4.528 -0.234 1
1 56 . 17 1 1 A 10 10 GLU N N 10 120.855 119.993 0.862 1
1 57 . 17 1 1 A 11 11 ASN H H 11 7.260 7.537 -0.277 1
1 58 . 17 1 1 A 11 11 ASN HA H 11 4.794 5.110 -0.316 1
1 63 . 17 1 1 A 11 11 ASN N N 11 124.776 117.772 7.004 1
1 65 . 17 1 1 A 12 12 PRO HA H 12 4.704 4.457 0.247 1
1 72 . 17 1 1 A 13 13 CYS H H 13 8.931 8.217 0.714 1
1 73 . 17 1 1 A 13 13 CYS HA H 13 4.648 4.555 0.093 1
1 76 . 17 1 1 A 13 13 CYS N N 13 121.945 114.268 7.677 1
1 77 . 17 1 1 A 14 14 CYS H H 14 7.543 7.613 -0.070 1
1 78 . 17 1 1 A 14 14 CYS HA H 14 5.056 4.970 0.086 1
1 81 . 17 1 1 A 14 14 CYS N N 14 116.460 119.739 -3.279 1
1 82 . 17 1 1 A 15 15 ASP H H 15 8.212 9.247 -1.035 1
1 83 . 17 1 1 A 15 15 ASP HA H 15 4.570 4.980 -0.410 1
1 86 . 17 1 1 A 15 15 ASP N N 15 125.197 125.456 -0.259 1
1 87 . 17 1 1 A 16 16 ALA H H 16 8.996 8.941 0.055 1
1 88 . 17 1 1 A 16 16 ALA HA H 16 4.148 3.966 0.182 1
1 92 . 17 1 1 A 16 16 ALA N N 16 135.341 128.589 6.752 1
1 93 . 17 1 1 A 17 17 ALA H H 17 8.669 7.653 1.016 1
1 94 . 17 1 1 A 17 17 ALA HA H 17 4.361 4.037 0.324 1
1 98 . 17 1 1 A 17 17 ALA N N 17 121.910 119.828 2.082 1
1 99 . 17 1 1 A 18 18 THR H H 18 7.743 7.799 -0.056 1
1 100 . 17 1 1 A 18 18 THR HA H 18 4.445 4.506 -0.061 1
1 105 . 17 1 1 A 18 18 THR N N 18 109.481 109.589 -0.108 1
1 106 . 17 1 1 A 19 19 CYS H H 19 8.601 8.322 0.279 1
1 107 . 17 1 1 A 19 19 CYS HA H 19 4.642 4.154 0.488 1
1 110 . 17 1 1 A 19 19 CYS N N 19 123.176 120.494 2.682 1
1 111 . 17 1 1 A 20 20 LYS H H 20 7.964 7.786 0.178 1
1 112 . 17 1 1 A 20 20 LYS HA H 20 4.945 4.704 0.241 1
1 117 . 17 1 1 A 20 20 LYS N N 20 122.525 120.227 2.298 1
1 118 . 17 1 1 A 21 21 LEU H H 21 9.211 8.419 0.792 1
1 119 . 17 1 1 A 21 21 LEU HA H 21 4.285 4.454 -0.169 1
1 129 . 17 1 1 A 21 21 LEU N N 21 124.582 122.438 2.144 1
1 130 . 17 1 1 A 22 22 ARG H H 22 8.490 8.625 -0.135 1
1 131 . 17 1 1 A 22 22 ARG HA H 22 4.448 4.266 0.182 1
1 137 . 17 1 1 A 22 22 ARG N N 22 126.604 124.984 1.620 1
1 139 . 17 1 1 A 23 23 PRO HA H 23 4.389 4.522 -0.133 1
1 144 . 17 1 1 A 24 24 GLY H H 24 8.830 8.361 0.469 1
1 145 . 17 1 1 A 24 24 GLY HA2 H 24 4.295 3.913 0.382 1
1 146 . 17 1 1 A 24 24 GLY HA3 H 24 3.664 3.916 -0.252 1
1 147 . 17 1 1 A 24 24 GLY N N 24 117.708 106.141 11.567 1
1 148 . 17 1 1 A 25 25 ALA H H 25 7.942 7.827 0.115 1
1 149 . 17 1 1 A 25 25 ALA HA H 25 4.540 4.175 0.365 1
1 153 . 17 1 1 A 25 25 ALA N N 25 127.553 122.955 4.598 1
1 154 . 17 1 1 A 26 26 GLN H H 26 8.827 8.506 0.321 1
1 155 . 17 1 1 A 26 26 GLN HA H 26 4.113 3.979 0.134 1
1 162 . 17 1 1 A 26 26 GLN N N 26 122.086 119.207 2.879 1
1 164 . 17 1 1 A 27 27 CYS H H 27 7.805 7.819 -0.014 1
1 165 . 17 1 1 A 27 27 CYS HA H 27 4.555 4.747 -0.192 1
1 168 . 17 1 1 A 27 27 CYS N N 27 117.409 115.024 2.385 1
1 169 . 17 1 1 A 28 28 GLY H H 28 9.163 8.700 0.463 1
1 170 . 17 1 1 A 28 28 GLY HA2 H 28 4.446 3.822 0.624 1
1 171 . 17 1 1 A 28 28 GLY HA3 H 28 3.574 3.837 -0.263 1
1 172 . 17 1 1 A 28 28 GLY N N 28 109.041 114.361 -5.320 1
1 173 . 17 1 1 A 29 29 GLU H H 29 7.844 7.852 -0.008 1
1 174 . 17 1 1 A 29 29 GLU HA H 29 4.782 4.903 -0.121 1
1 179 . 17 1 1 A 29 29 GLU N N 29 122.174 118.952 3.222 1
1 180 . 17 1 1 A 30 30 GLY H H 30 8.391 8.426 -0.035 1
1 181 . 17 1 1 A 30 30 GLY HA2 H 30 4.915 4.272 0.643 1
1 182 . 17 1 1 A 30 30 GLY HA3 H 30 3.925 4.294 -0.369 1
1 183 . 17 1 1 A 30 30 GLY N N 30 112.663 112.223 0.440 1
1 184 . 17 1 1 A 31 31 LEU H H 31 8.960 8.971 -0.011 1
1 185 . 17 1 1 A 31 31 LEU HA H 31 4.354 3.910 0.444 1
1 195 . 17 1 1 A 31 31 LEU N N 31 125.039 120.849 4.190 1
1 196 . 17 1 1 A 32 32 CYS H H 32 8.467 8.445 0.022 1
1 197 . 17 1 1 A 32 32 CYS HA H 32 5.108 4.624 0.484 1
1 200 . 17 1 1 A 32 32 CYS N N 32 119.167 113.708 5.459 1
1 201 . 17 1 1 A 33 33 CYS H H 33 7.365 7.551 -0.186 1
1 202 . 17 1 1 A 33 33 CYS HA H 33 5.291 5.381 -0.090 1
1 205 . 17 1 1 A 33 33 CYS N N 33 125.303 119.840 5.463 1
1 206 . 17 1 1 A 34 34 GLU H H 34 9.742 8.780 0.962 1
1 207 . 17 1 1 A 34 34 GLU HA H 34 4.682 4.532 0.150 1
1 212 . 17 1 1 A 34 34 GLU N N 34 132.652 126.781 5.871 1
1 213 . 17 1 1 A 35 35 GLN H H 35 9.453 9.230 0.223 1
1 214 . 17 1 1 A 35 35 GLN HA H 35 3.999 3.916 0.083 1
1 219 . 17 1 1 A 35 35 GLN N N 35 129.593 125.353 4.240 1
1 221 . 17 1 1 A 36 36 CYS H H 36 8.492 8.399 0.093 1
1 222 . 17 1 1 A 36 36 CYS HA H 36 4.801 4.334 0.467 1
1 225 . 17 1 1 A 36 36 CYS N N 36 109.569 110.993 -1.424 1
1 226 . 17 1 1 A 37 37 LYS H H 37 8.024 7.689 0.335 1
1 227 . 17 1 1 A 37 37 LYS HA H 37 4.703 4.648 0.055 1
1 236 . 17 1 1 A 37 37 LYS N N 37 125.110 120.832 4.278 1
1 237 . 17 1 1 A 38 38 PHE H H 38 8.276 8.418 -0.142 1
1 238 . 17 1 1 A 38 38 PHE HA H 38 5.141 4.643 0.498 1
1 245 . 17 1 1 A 38 38 PHE N N 38 123.897 120.690 3.207 1
1 246 . 17 1 1 A 39 39 SER H H 39 9.044 9.976 -0.932 1
1 247 . 17 1 1 A 39 39 SER HA H 39 4.274 4.563 -0.289 1
1 250 . 17 1 1 A 39 39 SER N N 39 125.655 118.550 7.105 1
1 251 . 17 1 1 A 40 40 ARG H H 40 8.573 8.468 0.105 1
1 252 . 17 1 1 A 40 40 ARG HA H 40 4.101 4.572 -0.471 1
1 259 . 17 1 1 A 40 40 ARG N N 40 125.848 120.718 5.130 1
1 260 . 17 1 1 A 41 41 ALA H H 41 8.501 8.522 -0.021 1
1 261 . 17 1 1 A 41 41 ALA HA H 41 3.724 4.091 -0.367 1
1 265 . 17 1 1 A 41 41 ALA N N 41 127.729 125.075 2.654 1
1 266 . 17 1 1 A 42 42 GLY H H 42 8.619 9.951 -1.332 1
1 267 . 17 1 1 A 42 42 GLY HA2 H 42 4.486 3.819 0.667 1
1 268 . 17 1 1 A 42 42 GLY HA3 H 42 3.587 3.822 -0.235 1
1 269 . 17 1 1 A 42 42 GLY N N 42 114.579 109.968 4.611 1
1 270 . 17 1 1 A 43 43 LYS H H 43 7.535 7.660 -0.125 1
1 271 . 17 1 1 A 43 43 LYS HA H 43 4.149 4.659 -0.510 1
1 280 . 17 1 1 A 43 43 LYS N N 43 126.780 119.803 6.977 1
1 281 . 17 1 1 A 44 44 ILE H H 44 8.799 8.952 -0.153 1
1 282 . 17 1 1 A 44 44 ILE HA H 44 4.035 4.083 -0.048 1
1 290 . 17 1 1 A 44 44 ILE N N 44 128.394 126.850 1.544 1
1 291 . 17 1 1 A 45 45 CYS H H 45 9.336 8.465 0.871 1
1 292 . 17 1 1 A 45 45 CYS HA H 45 5.067 4.578 0.489 1
1 295 . 17 1 1 A 45 45 CYS N N 45 123.510 125.590 -2.080 1
1 296 . 17 1 1 A 46 46 ARG H H 46 7.483 7.525 -0.042 1
1 297 . 17 1 1 A 46 46 ARG HA H 46 4.337 4.848 -0.511 1
1 302 . 17 1 1 A 46 46 ARG N N 46 122.966 119.690 3.276 1
1 303 . 17 1 1 A 47 47 ILE H H 47 8.341 8.692 -0.351 1
1 304 . 17 1 1 A 47 47 ILE HA H 47 4.235 4.779 -0.544 1
1 314 . 17 1 1 A 47 47 ILE N N 47 126.231 127.323 -1.092 1
1 315 . 17 1 1 A 48 48 ALA H H 48 9.123 8.786 0.337 1
1 316 . 17 1 1 A 48 48 ALA HA H 48 4.182 4.882 -0.700 1
1 320 . 17 1 1 A 48 48 ALA N N 48 130.514 131.504 -0.990 1
1 321 . 17 1 1 A 49 49 ARG H H 49 8.023 8.564 -0.541 1
1 322 . 17 1 1 A 49 49 ARG HA H 49 4.446 4.240 0.206 1
1 327 . 17 1 1 A 49 49 ARG N N 49 119.731 122.384 -2.653 1
1 328 . 17 1 1 A 50 50 GLY H H 50 8.427 8.591 -0.164 1
1 329 . 17 1 1 A 50 50 GLY HA2 H 50 3.819 4.138 -0.319 1
1 330 . 17 1 1 A 50 50 GLY HA3 H 50 3.868 4.144 -0.276 1
1 331 . 17 1 1 A 50 50 GLY N N 50 110.845 108.085 2.760 1
1 332 . 17 1 1 A 51 51 ASP H H 51 8.616 8.848 -0.232 1
1 333 . 17 1 1 A 51 51 ASP HA H 51 4.709 4.559 0.150 1
1 336 . 17 1 1 A 51 51 ASP N N 51 122.577 122.444 0.133 1
1 337 . 17 1 1 A 52 52 MET H H 52 7.844 7.766 0.078 1
1 338 . 17 1 1 A 52 52 MET HA H 52 4.640 4.659 -0.019 1
1 343 . 17 1 1 A 52 52 MET N N 52 120.326 121.747 -1.421 1
1 344 . 17 1 1 A 53 53 PRO HA H 53 3.950 4.656 -0.706 1
1 351 . 17 1 1 A 54 54 ASP H H 54 7.895 8.563 -0.668 1
1 352 . 17 1 1 A 54 54 ASP HA H 54 4.515 5.030 -0.515 1
1 355 . 17 1 1 A 54 54 ASP N N 54 118.468 118.967 -0.499 1
1 356 . 17 1 1 A 55 55 ASP H H 55 8.529 8.486 0.043 1
1 357 . 17 1 1 A 55 55 ASP HA H 55 4.954 4.887 0.067 1
1 360 . 17 1 1 A 55 55 ASP N N 55 121.071 121.009 0.062 1
1 361 . 17 1 1 A 56 56 ARG H H 56 8.294 8.737 -0.443 1
1 362 . 17 1 1 A 56 56 ARG HA H 56 5.215 5.008 0.207 1
1 367 . 17 1 1 A 56 56 ARG N N 56 119.468 121.071 -1.603 1
1 368 . 17 1 1 A 57 57 CYS H H 57 9.244 10.432 -1.188 1
1 369 . 17 1 1 A 57 57 CYS HA H 57 4.757 4.556 0.201 1
1 372 . 17 1 1 A 57 57 CYS N N 57 119.308 121.711 -2.403 1
1 373 . 17 1 1 A 58 58 THR H H 58 10.180 8.791 1.389 1
1 374 . 17 1 1 A 58 58 THR HA H 58 4.442 4.155 0.287 1
1 379 . 17 1 1 A 58 58 THR N N 58 117.445 120.131 -2.686 1
1 380 . 17 1 1 A 59 59 GLY H H 59 8.546 7.879 0.667 1
1 381 . 17 1 1 A 59 59 GLY HA2 H 59 4.460 3.913 0.547 1
1 382 . 17 1 1 A 59 59 GLY HA3 H 59 4.460 3.931 0.529 1
1 383 . 17 1 1 A 59 59 GLY N N 59 115.880 109.158 6.722 1
1 384 . 17 1 1 A 60 60 GLN H H 60 7.986 7.995 -0.009 1
1 385 . 17 1 1 A 60 60 GLN HA H 60 4.298 4.181 0.117 1
1 388 . 17 1 1 A 60 60 GLN N N 60 119.027 117.108 1.919 1
1 390 . 17 1 1 A 61 61 SER H H 61 6.630 7.463 -0.833 1
1 391 . 17 1 1 A 61 61 SER HA H 61 3.880 4.446 -0.566 1
1 394 . 17 1 1 A 61 61 SER N N 61 114.913 114.996 -0.083 1
1 395 . 17 1 1 A 62 62 ALA H H 62 9.027 8.702 0.325 1
1 396 . 17 1 1 A 62 62 ALA HA H 62 4.435 4.713 -0.278 1
1 400 . 17 1 1 A 62 62 ALA N N 62 129.628 125.505 4.123 1
1 401 . 17 1 1 A 63 63 ASP H H 63 8.080 7.903 0.177 1
1 402 . 17 1 1 A 63 63 ASP HA H 63 4.895 4.854 0.041 1
1 405 . 17 1 1 A 63 63 ASP N N 63 121.506 116.593 4.913 1
1 406 . 17 1 1 A 64 64 CYS H H 64 8.924 8.645 0.279 1
1 407 . 17 1 1 A 64 64 CYS HA H 64 5.403 5.182 0.221 1
1 410 . 17 1 1 A 64 64 CYS N N 64 125.936 119.254 6.682 1
1 411 . 17 1 1 A 65 65 PRO HA H 65 4.375 4.814 -0.439 1
1 418 . 17 1 1 A 66 66 ARG H H 66 8.203 8.439 -0.236 1
1 419 . 17 1 1 A 66 66 ARG HA H 66 4.362 4.659 -0.297 1
1 426 . 17 1 1 A 66 66 ARG N N 66 123.580 121.099 2.481 1
1 427 . 17 1 1 A 67 67 TYR H H 67 8.650 8.578 0.072 1
1 428 . 17 1 1 A 67 67 TYR HA H 67 4.459 4.331 0.128 1
1 435 . 17 1 1 A 67 67 TYR N N 67 128.872 118.139 10.733 1
1 5 . 18 1 1 A 2 2 LYS H H 2 8.331 7.654 0.677 1
1 10 . 18 1 1 A 2 2 LYS N N 2 125.285 118.785 6.500 1
1 11 . 18 1 1 A 3 3 GLU H H 3 8.659 8.781 -0.122 1
1 12 . 18 1 1 A 3 3 GLU HA H 3 4.322 4.468 -0.146 1
1 17 . 18 1 1 A 3 3 GLU N N 3 125.356 120.567 4.789 1
1 18 . 18 1 1 A 4 4 CYS H H 4 8.116 7.701 0.415 1
1 19 . 18 1 1 A 4 4 CYS HA H 4 4.975 5.406 -0.431 1
1 22 . 18 1 1 A 4 4 CYS N N 4 123.773 119.589 4.184 1
1 23 . 18 1 1 A 5 5 ASP H H 5 8.776 8.919 -0.143 1
1 24 . 18 1 1 A 5 5 ASP HA H 5 4.817 4.284 0.533 1
1 27 . 18 1 1 A 5 5 ASP N N 5 123.756 126.177 -2.421 1
1 28 . 18 1 1 A 6 6 CYS H H 6 6.975 7.565 -0.590 1
1 29 . 18 1 1 A 6 6 CYS HA H 6 4.931 4.908 0.023 1
1 32 . 18 1 1 A 6 6 CYS N N 6 116.724 114.695 2.029 1
1 33 . 18 1 1 A 7 7 SER H H 7 9.659 8.894 0.765 1
1 34 . 18 1 1 A 7 7 SER HA H 7 4.226 4.706 -0.480 1
1 37 . 18 1 1 A 7 7 SER N N 7 123.545 116.693 6.852 1
1 38 . 18 1 1 A 8 8 SER H H 8 7.862 7.716 0.146 1
1 39 . 18 1 1 A 8 8 SER HA H 8 5.137 5.000 0.137 1
1 42 . 18 1 1 A 8 8 SER N N 8 119.712 115.699 4.013 1
1 43 . 18 1 1 A 9 9 PRO HA H 9 4.559 4.576 -0.017 1
1 50 . 18 1 1 A 10 10 GLU H H 10 8.244 8.317 -0.073 1
1 51 . 18 1 1 A 10 10 GLU HA H 10 4.294 4.573 -0.279 1
1 56 . 18 1 1 A 10 10 GLU N N 10 120.855 116.779 4.076 1
1 57 . 18 1 1 A 11 11 ASN H H 11 7.260 7.778 -0.518 1
1 58 . 18 1 1 A 11 11 ASN HA H 11 4.794 4.990 -0.196 1
1 63 . 18 1 1 A 11 11 ASN N N 11 124.776 121.624 3.152 1
1 65 . 18 1 1 A 12 12 PRO HA H 12 4.704 4.481 0.223 1
1 72 . 18 1 1 A 13 13 CYS H H 13 8.931 8.999 -0.068 1
1 73 . 18 1 1 A 13 13 CYS HA H 13 4.648 4.673 -0.025 1
1 76 . 18 1 1 A 13 13 CYS N N 13 121.945 114.707 7.238 1
1 77 . 18 1 1 A 14 14 CYS H H 14 7.543 7.707 -0.164 1
1 78 . 18 1 1 A 14 14 CYS HA H 14 5.056 5.277 -0.221 1
1 81 . 18 1 1 A 14 14 CYS N N 14 116.460 119.953 -3.493 1
1 82 . 18 1 1 A 15 15 ASP H H 15 8.212 9.907 -1.695 1
1 83 . 18 1 1 A 15 15 ASP HA H 15 4.570 4.668 -0.098 1
1 86 . 18 1 1 A 15 15 ASP N N 15 125.197 127.233 -2.036 1
1 87 . 18 1 1 A 16 16 ALA H H 16 8.996 8.239 0.757 1
1 88 . 18 1 1 A 16 16 ALA HA H 16 4.148 3.911 0.237 1
1 92 . 18 1 1 A 16 16 ALA N N 16 135.341 128.527 6.814 1
1 93 . 18 1 1 A 17 17 ALA H H 17 8.669 8.140 0.529 1
1 94 . 18 1 1 A 17 17 ALA HA H 17 4.361 4.031 0.330 1
1 98 . 18 1 1 A 17 17 ALA N N 17 121.910 118.634 3.276 1
1 99 . 18 1 1 A 18 18 THR H H 18 7.743 8.147 -0.404 1
1 100 . 18 1 1 A 18 18 THR HA H 18 4.445 4.487 -0.042 1
1 105 . 18 1 1 A 18 18 THR N N 18 109.481 110.054 -0.573 1
1 106 . 18 1 1 A 19 19 CYS H H 19 8.601 8.530 0.071 1
1 107 . 18 1 1 A 19 19 CYS HA H 19 4.642 4.169 0.473 1
1 110 . 18 1 1 A 19 19 CYS N N 19 123.176 120.461 2.715 1
1 111 . 18 1 1 A 20 20 LYS H H 20 7.964 7.716 0.248 1
1 112 . 18 1 1 A 20 20 LYS HA H 20 4.945 4.624 0.321 1
1 117 . 18 1 1 A 20 20 LYS N N 20 122.525 121.136 1.389 1
1 118 . 18 1 1 A 21 21 LEU H H 21 9.211 8.534 0.677 1
1 119 . 18 1 1 A 21 21 LEU HA H 21 4.285 4.657 -0.372 1
1 129 . 18 1 1 A 21 21 LEU N N 21 124.582 121.341 3.241 1
1 130 . 18 1 1 A 22 22 ARG H H 22 8.490 8.785 -0.295 1
1 131 . 18 1 1 A 22 22 ARG HA H 22 4.448 4.256 0.192 1
1 137 . 18 1 1 A 22 22 ARG N N 22 126.604 124.863 1.741 1
1 139 . 18 1 1 A 23 23 PRO HA H 23 4.389 4.538 -0.149 1
1 144 . 18 1 1 A 24 24 GLY H H 24 8.830 8.373 0.457 1
1 145 . 18 1 1 A 24 24 GLY HA2 H 24 4.295 3.795 0.500 1
1 146 . 18 1 1 A 24 24 GLY HA3 H 24 3.664 3.798 -0.134 1
1 147 . 18 1 1 A 24 24 GLY N N 24 117.708 108.081 9.627 1
1 148 . 18 1 1 A 25 25 ALA H H 25 7.942 8.570 -0.628 1
1 149 . 18 1 1 A 25 25 ALA HA H 25 4.540 4.479 0.061 1
1 153 . 18 1 1 A 25 25 ALA N N 25 127.553 122.838 4.715 1
1 154 . 18 1 1 A 26 26 GLN H H 26 8.827 8.349 0.478 1
1 155 . 18 1 1 A 26 26 GLN HA H 26 4.113 4.023 0.090 1
1 162 . 18 1 1 A 26 26 GLN N N 26 122.086 119.579 2.507 1
1 164 . 18 1 1 A 27 27 CYS H H 27 7.805 7.018 0.787 1
1 165 . 18 1 1 A 27 27 CYS HA H 27 4.555 4.672 -0.117 1
1 168 . 18 1 1 A 27 27 CYS N N 27 117.409 112.289 5.120 1
1 169 . 18 1 1 A 28 28 GLY H H 28 9.163 8.408 0.755 1
1 170 . 18 1 1 A 28 28 GLY HA2 H 28 4.446 3.966 0.480 1
1 171 . 18 1 1 A 28 28 GLY HA3 H 28 3.574 3.982 -0.408 1
1 172 . 18 1 1 A 28 28 GLY N N 28 109.041 109.947 -0.906 1
1 173 . 18 1 1 A 29 29 GLU H H 29 7.844 8.009 -0.165 1
1 174 . 18 1 1 A 29 29 GLU HA H 29 4.782 4.833 -0.051 1
1 179 . 18 1 1 A 29 29 GLU N N 29 122.174 115.135 7.039 1
1 180 . 18 1 1 A 30 30 GLY H H 30 8.391 8.431 -0.040 1
1 181 . 18 1 1 A 30 30 GLY HA2 H 30 4.915 4.314 0.601 1
1 182 . 18 1 1 A 30 30 GLY HA3 H 30 3.925 4.335 -0.410 1
1 183 . 18 1 1 A 30 30 GLY N N 30 112.663 107.837 4.826 1
1 184 . 18 1 1 A 31 31 LEU H H 31 8.960 8.904 0.056 1
1 185 . 18 1 1 A 31 31 LEU HA H 31 4.354 3.944 0.410 1
1 195 . 18 1 1 A 31 31 LEU N N 31 125.039 121.025 4.014 1
1 196 . 18 1 1 A 32 32 CYS H H 32 8.467 8.608 -0.141 1
1 197 . 18 1 1 A 32 32 CYS HA H 32 5.108 4.785 0.323 1
1 200 . 18 1 1 A 32 32 CYS N N 32 119.167 113.195 5.972 1
1 201 . 18 1 1 A 33 33 CYS H H 33 7.365 7.748 -0.383 1
1 202 . 18 1 1 A 33 33 CYS HA H 33 5.291 5.035 0.256 1
1 205 . 18 1 1 A 33 33 CYS N N 33 125.303 121.156 4.147 1
1 206 . 18 1 1 A 34 34 GLU H H 34 9.742 8.489 1.253 1
1 207 . 18 1 1 A 34 34 GLU HA H 34 4.682 4.705 -0.023 1
1 212 . 18 1 1 A 34 34 GLU N N 34 132.652 127.287 5.365 1
1 213 . 18 1 1 A 35 35 GLN H H 35 9.453 9.292 0.161 1
1 214 . 18 1 1 A 35 35 GLN HA H 35 3.999 3.912 0.087 1
1 219 . 18 1 1 A 35 35 GLN N N 35 129.593 123.326 6.267 1
1 221 . 18 1 1 A 36 36 CYS H H 36 8.492 8.402 0.090 1
1 222 . 18 1 1 A 36 36 CYS HA H 36 4.801 4.616 0.185 1
1 225 . 18 1 1 A 36 36 CYS N N 36 109.569 111.430 -1.861 1
1 226 . 18 1 1 A 37 37 LYS H H 37 8.024 7.393 0.631 1
1 227 . 18 1 1 A 37 37 LYS HA H 37 4.703 4.842 -0.139 1
1 236 . 18 1 1 A 37 37 LYS N N 37 125.110 119.591 5.519 1
1 237 . 18 1 1 A 38 38 PHE H H 38 8.276 8.475 -0.199 1
1 238 . 18 1 1 A 38 38 PHE HA H 38 5.141 4.513 0.628 1
1 245 . 18 1 1 A 38 38 PHE N N 38 123.897 123.815 0.082 1
1 246 . 18 1 1 A 39 39 SER H H 39 9.044 8.597 0.447 1
1 247 . 18 1 1 A 39 39 SER HA H 39 4.274 4.539 -0.265 1
1 250 . 18 1 1 A 39 39 SER N N 39 125.655 118.439 7.216 1
1 251 . 18 1 1 A 40 40 ARG H H 40 8.573 8.473 0.100 1
1 252 . 18 1 1 A 40 40 ARG HA H 40 4.101 4.505 -0.404 1
1 259 . 18 1 1 A 40 40 ARG N N 40 125.848 121.651 4.197 1
1 260 . 18 1 1 A 41 41 ALA H H 41 8.501 8.507 -0.006 1
1 261 . 18 1 1 A 41 41 ALA HA H 41 3.724 3.963 -0.239 1
1 265 . 18 1 1 A 41 41 ALA N N 41 127.729 125.113 2.616 1
1 266 . 18 1 1 A 42 42 GLY H H 42 8.619 9.964 -1.345 1
1 267 . 18 1 1 A 42 42 GLY HA2 H 42 4.486 3.998 0.488 1
1 268 . 18 1 1 A 42 42 GLY HA3 H 42 3.587 4.010 -0.423 1
1 269 . 18 1 1 A 42 42 GLY N N 42 114.579 110.683 3.896 1
1 270 . 18 1 1 A 43 43 LYS H H 43 7.535 7.828 -0.293 1
1 271 . 18 1 1 A 43 43 LYS HA H 43 4.149 4.654 -0.505 1
1 280 . 18 1 1 A 43 43 LYS N N 43 126.780 121.036 5.744 1
1 281 . 18 1 1 A 44 44 ILE H H 44 8.799 8.497 0.302 1
1 282 . 18 1 1 A 44 44 ILE HA H 44 4.035 4.240 -0.205 1
1 290 . 18 1 1 A 44 44 ILE N N 44 128.394 126.704 1.690 1
1 291 . 18 1 1 A 45 45 CYS H H 45 9.336 9.206 0.130 1
1 292 . 18 1 1 A 45 45 CYS HA H 45 5.067 4.434 0.633 1
1 295 . 18 1 1 A 45 45 CYS N N 45 123.510 126.123 -2.613 1
1 296 . 18 1 1 A 46 46 ARG H H 46 7.483 7.344 0.139 1
1 297 . 18 1 1 A 46 46 ARG HA H 46 4.337 4.915 -0.578 1
1 302 . 18 1 1 A 46 46 ARG N N 46 122.966 119.853 3.113 1
1 303 . 18 1 1 A 47 47 ILE H H 47 8.341 8.522 -0.181 1
1 304 . 18 1 1 A 47 47 ILE HA H 47 4.235 4.478 -0.243 1
1 314 . 18 1 1 A 47 47 ILE N N 47 126.231 125.732 0.499 1
1 315 . 18 1 1 A 48 48 ALA H H 48 9.123 8.407 0.716 1
1 316 . 18 1 1 A 48 48 ALA HA H 48 4.182 4.447 -0.265 1
1 320 . 18 1 1 A 48 48 ALA N N 48 130.514 130.080 0.434 1
1 321 . 18 1 1 A 49 49 ARG H H 49 8.023 8.975 -0.952 1
1 322 . 18 1 1 A 49 49 ARG HA H 49 4.446 4.608 -0.162 1
1 327 . 18 1 1 A 49 49 ARG N N 49 119.731 122.058 -2.327 1
1 328 . 18 1 1 A 50 50 GLY H H 50 8.427 7.520 0.907 1
1 329 . 18 1 1 A 50 50 GLY HA2 H 50 3.819 4.191 -0.372 1
1 330 . 18 1 1 A 50 50 GLY HA3 H 50 3.868 4.192 -0.324 1
1 331 . 18 1 1 A 50 50 GLY N N 50 110.845 107.877 2.968 1
1 332 . 18 1 1 A 51 51 ASP H H 51 8.616 8.944 -0.328 1
1 333 . 18 1 1 A 51 51 ASP HA H 51 4.709 4.524 0.185 1
1 336 . 18 1 1 A 51 51 ASP N N 51 122.577 121.787 0.790 1
1 337 . 18 1 1 A 52 52 MET H H 52 7.844 7.588 0.256 1
1 338 . 18 1 1 A 52 52 MET HA H 52 4.640 4.573 0.067 1
1 343 . 18 1 1 A 52 52 MET N N 52 120.326 117.134 3.192 1
1 344 . 18 1 1 A 53 53 PRO HA H 53 3.950 4.577 -0.627 1
1 351 . 18 1 1 A 54 54 ASP H H 54 7.895 8.415 -0.520 1
1 352 . 18 1 1 A 54 54 ASP HA H 54 4.515 4.706 -0.191 1
1 355 . 18 1 1 A 54 54 ASP N N 54 118.468 121.338 -2.870 1
1 356 . 18 1 1 A 55 55 ASP H H 55 8.529 8.883 -0.354 1
1 357 . 18 1 1 A 55 55 ASP HA H 55 4.954 5.546 -0.592 1
1 360 . 18 1 1 A 55 55 ASP N N 55 121.071 121.034 0.037 1
1 361 . 18 1 1 A 56 56 ARG H H 56 8.294 9.089 -0.795 1
1 362 . 18 1 1 A 56 56 ARG HA H 56 5.215 5.379 -0.164 1
1 367 . 18 1 1 A 56 56 ARG N N 56 119.468 125.475 -6.007 1
1 368 . 18 1 1 A 57 57 CYS H H 57 9.244 9.442 -0.198 1
1 369 . 18 1 1 A 57 57 CYS HA H 57 4.757 4.530 0.227 1
1 372 . 18 1 1 A 57 57 CYS N N 57 119.308 120.787 -1.479 1
1 373 . 18 1 1 A 58 58 THR H H 58 10.180 8.508 1.672 1
1 374 . 18 1 1 A 58 58 THR HA H 58 4.442 4.489 -0.047 1
1 379 . 18 1 1 A 58 58 THR N N 58 117.445 115.534 1.911 1
1 380 . 18 1 1 A 59 59 GLY H H 59 8.546 7.700 0.846 1
1 381 . 18 1 1 A 59 59 GLY HA2 H 59 4.460 3.954 0.506 1
1 382 . 18 1 1 A 59 59 GLY HA3 H 59 4.460 3.970 0.490 1
1 383 . 18 1 1 A 59 59 GLY N N 59 115.880 109.867 6.013 1
1 384 . 18 1 1 A 60 60 GLN H H 60 7.986 7.628 0.358 1
1 385 . 18 1 1 A 60 60 GLN HA H 60 4.298 4.042 0.256 1
1 388 . 18 1 1 A 60 60 GLN N N 60 119.027 117.268 1.759 1
1 390 . 18 1 1 A 61 61 SER H H 61 6.630 6.863 -0.233 1
1 391 . 18 1 1 A 61 61 SER HA H 61 3.880 4.133 -0.253 1
1 394 . 18 1 1 A 61 61 SER N N 61 114.913 115.458 -0.545 1
1 395 . 18 1 1 A 62 62 ALA H H 62 9.027 8.719 0.308 1
1 396 . 18 1 1 A 62 62 ALA HA H 62 4.435 4.576 -0.141 1
1 400 . 18 1 1 A 62 62 ALA N N 62 129.628 126.300 3.328 1
1 401 . 18 1 1 A 63 63 ASP H H 63 8.080 7.890 0.190 1
1 402 . 18 1 1 A 63 63 ASP HA H 63 4.895 4.849 0.046 1
1 405 . 18 1 1 A 63 63 ASP N N 63 121.506 116.548 4.958 1
1 406 . 18 1 1 A 64 64 CYS H H 64 8.924 8.626 0.298 1
1 407 . 18 1 1 A 64 64 CYS HA H 64 5.403 5.112 0.291 1
1 410 . 18 1 1 A 64 64 CYS N N 64 125.936 118.866 7.070 1
1 411 . 18 1 1 A 65 65 PRO HA H 65 4.375 4.573 -0.198 1
1 418 . 18 1 1 A 66 66 ARG H H 66 8.203 8.576 -0.373 1
1 419 . 18 1 1 A 66 66 ARG HA H 66 4.362 5.061 -0.699 1
1 426 . 18 1 1 A 66 66 ARG N N 66 123.580 117.978 5.602 1
1 427 . 18 1 1 A 67 67 TYR H H 67 8.650 8.876 -0.226 1
1 428 . 18 1 1 A 67 67 TYR HA H 67 4.459 4.668 -0.209 1
1 435 . 18 1 1 A 67 67 TYR N N 67 128.872 121.216 7.656 1
1 5 . 19 1 1 A 2 2 LYS H H 2 8.331 8.349 -0.018 1
1 10 . 19 1 1 A 2 2 LYS N N 2 125.285 119.443 5.842 1
1 11 . 19 1 1 A 3 3 GLU H H 3 8.659 9.047 -0.388 1
1 12 . 19 1 1 A 3 3 GLU HA H 3 4.322 4.339 -0.017 1
1 17 . 19 1 1 A 3 3 GLU N N 3 125.356 121.206 4.150 1
1 18 . 19 1 1 A 4 4 CYS H H 4 8.116 7.831 0.285 1
1 19 . 19 1 1 A 4 4 CYS HA H 4 4.975 5.506 -0.531 1
1 22 . 19 1 1 A 4 4 CYS N N 4 123.773 116.562 7.211 1
1 23 . 19 1 1 A 5 5 ASP H H 5 8.776 9.050 -0.274 1
1 24 . 19 1 1 A 5 5 ASP HA H 5 4.817 4.368 0.449 1
1 27 . 19 1 1 A 5 5 ASP N N 5 123.756 126.746 -2.990 1
1 28 . 19 1 1 A 6 6 CYS H H 6 6.975 7.499 -0.524 1
1 29 . 19 1 1 A 6 6 CYS HA H 6 4.931 5.136 -0.205 1
1 32 . 19 1 1 A 6 6 CYS N N 6 116.724 115.343 1.381 1
1 33 . 19 1 1 A 7 7 SER H H 7 9.659 8.609 1.050 1
1 34 . 19 1 1 A 7 7 SER HA H 7 4.226 4.796 -0.570 1
1 37 . 19 1 1 A 7 7 SER N N 7 123.545 118.538 5.007 1
1 38 . 19 1 1 A 8 8 SER H H 8 7.862 7.628 0.234 1
1 39 . 19 1 1 A 8 8 SER HA H 8 5.137 4.872 0.265 1
1 42 . 19 1 1 A 8 8 SER N N 8 119.712 117.905 1.807 1
1 43 . 19 1 1 A 9 9 PRO HA H 9 4.559 4.578 -0.019 1
1 50 . 19 1 1 A 10 10 GLU H H 10 8.244 7.866 0.378 1
1 51 . 19 1 1 A 10 10 GLU HA H 10 4.294 4.593 -0.299 1
1 56 . 19 1 1 A 10 10 GLU N N 10 120.855 116.998 3.857 1
1 57 . 19 1 1 A 11 11 ASN H H 11 7.260 7.426 -0.166 1
1 58 . 19 1 1 A 11 11 ASN HA H 11 4.794 5.047 -0.253 1
1 63 . 19 1 1 A 11 11 ASN N N 11 124.776 121.542 3.234 1
1 65 . 19 1 1 A 12 12 PRO HA H 12 4.704 4.477 0.227 1
1 72 . 19 1 1 A 13 13 CYS H H 13 8.931 8.337 0.594 1
1 73 . 19 1 1 A 13 13 CYS HA H 13 4.648 4.536 0.112 1
1 76 . 19 1 1 A 13 13 CYS N N 13 121.945 115.373 6.572 1
1 77 . 19 1 1 A 14 14 CYS H H 14 7.543 7.585 -0.042 1
1 78 . 19 1 1 A 14 14 CYS HA H 14 5.056 5.377 -0.321 1
1 81 . 19 1 1 A 14 14 CYS N N 14 116.460 117.184 -0.724 1
1 82 . 19 1 1 A 15 15 ASP H H 15 8.212 9.819 -1.607 1
1 83 . 19 1 1 A 15 15 ASP HA H 15 4.570 5.071 -0.501 1
1 86 . 19 1 1 A 15 15 ASP N N 15 125.197 122.459 2.738 1
1 87 . 19 1 1 A 16 16 ALA H H 16 8.996 9.007 -0.011 1
1 88 . 19 1 1 A 16 16 ALA HA H 16 4.148 3.937 0.211 1
1 92 . 19 1 1 A 16 16 ALA N N 16 135.341 129.129 6.212 1
1 93 . 19 1 1 A 17 17 ALA H H 17 8.669 7.776 0.893 1
1 94 . 19 1 1 A 17 17 ALA HA H 17 4.361 4.086 0.275 1
1 98 . 19 1 1 A 17 17 ALA N N 17 121.910 119.575 2.335 1
1 99 . 19 1 1 A 18 18 THR H H 18 7.743 7.841 -0.098 1
1 100 . 19 1 1 A 18 18 THR HA H 18 4.445 4.474 -0.029 1
1 105 . 19 1 1 A 18 18 THR N N 18 109.481 109.531 -0.050 1
1 106 . 19 1 1 A 19 19 CYS H H 19 8.601 7.895 0.706 1
1 107 . 19 1 1 A 19 19 CYS HA H 19 4.642 4.234 0.408 1
1 110 . 19 1 1 A 19 19 CYS N N 19 123.176 120.042 3.134 1
1 111 . 19 1 1 A 20 20 LYS H H 20 7.964 7.176 0.788 1
1 112 . 19 1 1 A 20 20 LYS HA H 20 4.945 4.881 0.064 1
1 117 . 19 1 1 A 20 20 LYS N N 20 122.525 120.191 2.334 1
1 118 . 19 1 1 A 21 21 LEU H H 21 9.211 8.735 0.476 1
1 119 . 19 1 1 A 21 21 LEU HA H 21 4.285 4.723 -0.438 1
1 129 . 19 1 1 A 21 21 LEU N N 21 124.582 121.485 3.097 1
1 130 . 19 1 1 A 22 22 ARG H H 22 8.490 8.543 -0.053 1
1 131 . 19 1 1 A 22 22 ARG HA H 22 4.448 4.440 0.008 1
1 137 . 19 1 1 A 22 22 ARG N N 22 126.604 123.021 3.583 1
1 139 . 19 1 1 A 23 23 PRO HA H 23 4.389 4.507 -0.118 1
1 144 . 19 1 1 A 24 24 GLY H H 24 8.830 8.321 0.509 1
1 145 . 19 1 1 A 24 24 GLY HA2 H 24 4.295 3.896 0.399 1
1 146 . 19 1 1 A 24 24 GLY HA3 H 24 3.664 3.900 -0.236 1
1 147 . 19 1 1 A 24 24 GLY N N 24 117.708 106.374 11.334 1
1 148 . 19 1 1 A 25 25 ALA H H 25 7.942 7.684 0.258 1
1 149 . 19 1 1 A 25 25 ALA HA H 25 4.540 4.210 0.330 1
1 153 . 19 1 1 A 25 25 ALA N N 25 127.553 123.388 4.165 1
1 154 . 19 1 1 A 26 26 GLN H H 26 8.827 8.655 0.172 1
1 155 . 19 1 1 A 26 26 GLN HA H 26 4.113 3.920 0.193 1
1 162 . 19 1 1 A 26 26 GLN N N 26 122.086 120.215 1.871 1
1 164 . 19 1 1 A 27 27 CYS H H 27 7.805 7.642 0.163 1
1 165 . 19 1 1 A 27 27 CYS HA H 27 4.555 5.077 -0.522 1
1 168 . 19 1 1 A 27 27 CYS N N 27 117.409 112.774 4.635 1
1 169 . 19 1 1 A 28 28 GLY H H 28 9.163 8.370 0.793 1
1 170 . 19 1 1 A 28 28 GLY HA2 H 28 4.446 4.189 0.257 1
1 171 . 19 1 1 A 28 28 GLY HA3 H 28 3.574 4.190 -0.616 1
1 172 . 19 1 1 A 28 28 GLY N N 28 109.041 109.585 -0.544 1
1 173 . 19 1 1 A 29 29 GLU H H 29 7.844 8.094 -0.250 1
1 174 . 19 1 1 A 29 29 GLU HA H 29 4.782 4.836 -0.054 1
1 179 . 19 1 1 A 29 29 GLU N N 29 122.174 115.397 6.777 1
1 180 . 19 1 1 A 30 30 GLY H H 30 8.391 8.452 -0.061 1
1 181 . 19 1 1 A 30 30 GLY HA2 H 30 4.915 4.256 0.659 1
1 182 . 19 1 1 A 30 30 GLY HA3 H 30 3.925 4.263 -0.338 1
1 183 . 19 1 1 A 30 30 GLY N N 30 112.663 107.733 4.930 1
1 184 . 19 1 1 A 31 31 LEU H H 31 8.960 8.790 0.170 1
1 185 . 19 1 1 A 31 31 LEU HA H 31 4.354 3.978 0.376 1
1 195 . 19 1 1 A 31 31 LEU N N 31 125.039 120.038 5.001 1
1 196 . 19 1 1 A 32 32 CYS H H 32 8.467 8.162 0.305 1
1 197 . 19 1 1 A 32 32 CYS HA H 32 5.108 4.606 0.502 1
1 200 . 19 1 1 A 32 32 CYS N N 32 119.167 113.706 5.461 1
1 201 . 19 1 1 A 33 33 CYS H H 33 7.365 7.932 -0.567 1
1 202 . 19 1 1 A 33 33 CYS HA H 33 5.291 5.795 -0.504 1
1 205 . 19 1 1 A 33 33 CYS N N 33 125.303 119.428 5.875 1
1 206 . 19 1 1 A 34 34 GLU H H 34 9.742 8.600 1.142 1
1 207 . 19 1 1 A 34 34 GLU HA H 34 4.682 4.789 -0.107 1
1 212 . 19 1 1 A 34 34 GLU N N 34 132.652 124.611 8.041 1
1 213 . 19 1 1 A 35 35 GLN H H 35 9.453 9.450 0.003 1
1 214 . 19 1 1 A 35 35 GLN HA H 35 3.999 3.937 0.062 1
1 219 . 19 1 1 A 35 35 GLN N N 35 129.593 123.291 6.302 1
1 221 . 19 1 1 A 36 36 CYS H H 36 8.492 8.451 0.041 1
1 222 . 19 1 1 A 36 36 CYS HA H 36 4.801 4.175 0.626 1
1 225 . 19 1 1 A 36 36 CYS N N 36 109.569 109.386 0.183 1
1 226 . 19 1 1 A 37 37 LYS H H 37 8.024 7.752 0.272 1
1 227 . 19 1 1 A 37 37 LYS HA H 37 4.703 4.829 -0.126 1
1 236 . 19 1 1 A 37 37 LYS N N 37 125.110 118.999 6.111 1
1 237 . 19 1 1 A 38 38 PHE H H 38 8.276 8.506 -0.230 1
1 238 . 19 1 1 A 38 38 PHE HA H 38 5.141 4.457 0.684 1
1 245 . 19 1 1 A 38 38 PHE N N 38 123.897 122.552 1.345 1
1 246 . 19 1 1 A 39 39 SER H H 39 9.044 8.624 0.420 1
1 247 . 19 1 1 A 39 39 SER HA H 39 4.274 4.408 -0.134 1
1 250 . 19 1 1 A 39 39 SER N N 39 125.655 117.779 7.876 1
1 251 . 19 1 1 A 40 40 ARG H H 40 8.573 7.950 0.623 1
1 252 . 19 1 1 A 40 40 ARG HA H 40 4.101 5.019 -0.918 1
1 259 . 19 1 1 A 40 40 ARG N N 40 125.848 120.221 5.627 1
1 260 . 19 1 1 A 41 41 ALA H H 41 8.501 8.476 0.025 1
1 261 . 19 1 1 A 41 41 ALA HA H 41 3.724 4.103 -0.379 1
1 265 . 19 1 1 A 41 41 ALA N N 41 127.729 124.272 3.457 1
1 266 . 19 1 1 A 42 42 GLY H H 42 8.619 9.882 -1.263 1
1 267 . 19 1 1 A 42 42 GLY HA2 H 42 4.486 3.830 0.656 1
1 268 . 19 1 1 A 42 42 GLY HA3 H 42 3.587 3.832 -0.245 1
1 269 . 19 1 1 A 42 42 GLY N N 42 114.579 109.701 4.878 1
1 270 . 19 1 1 A 43 43 LYS H H 43 7.535 7.829 -0.294 1
1 271 . 19 1 1 A 43 43 LYS HA H 43 4.149 4.543 -0.394 1
1 280 . 19 1 1 A 43 43 LYS N N 43 126.780 121.159 5.621 1
1 281 . 19 1 1 A 44 44 ILE H H 44 8.799 8.457 0.342 1
1 282 . 19 1 1 A 44 44 ILE HA H 44 4.035 4.567 -0.532 1
1 290 . 19 1 1 A 44 44 ILE N N 44 128.394 126.112 2.282 1
1 291 . 19 1 1 A 45 45 CYS H H 45 9.336 8.719 0.617 1
1 292 . 19 1 1 A 45 45 CYS HA H 45 5.067 4.501 0.566 1
1 295 . 19 1 1 A 45 45 CYS N N 45 123.510 127.051 -3.541 1
1 296 . 19 1 1 A 46 46 ARG H H 46 7.483 7.726 -0.243 1
1 297 . 19 1 1 A 46 46 ARG HA H 46 4.337 4.975 -0.638 1
1 302 . 19 1 1 A 46 46 ARG N N 46 122.966 119.283 3.683 1
1 303 . 19 1 1 A 47 47 ILE H H 47 8.341 9.110 -0.769 1
1 304 . 19 1 1 A 47 47 ILE HA H 47 4.235 4.928 -0.693 1
1 314 . 19 1 1 A 47 47 ILE N N 47 126.231 120.158 6.073 1
1 315 . 19 1 1 A 48 48 ALA H H 48 9.123 8.793 0.330 1
1 316 . 19 1 1 A 48 48 ALA HA H 48 4.182 4.767 -0.585 1
1 320 . 19 1 1 A 48 48 ALA N N 48 130.514 127.070 3.444 1
1 321 . 19 1 1 A 49 49 ARG H H 49 8.023 7.681 0.342 1
1 322 . 19 1 1 A 49 49 ARG HA H 49 4.446 3.923 0.523 1
1 327 . 19 1 1 A 49 49 ARG N N 49 119.731 119.487 0.244 1
1 328 . 19 1 1 A 50 50 GLY H H 50 8.427 8.645 -0.218 1
1 329 . 19 1 1 A 50 50 GLY HA2 H 50 3.819 4.087 -0.268 1
1 330 . 19 1 1 A 50 50 GLY HA3 H 50 3.868 4.090 -0.222 1
1 331 . 19 1 1 A 50 50 GLY N N 50 110.845 109.414 1.431 1
1 332 . 19 1 1 A 51 51 ASP H H 51 8.616 8.800 -0.184 1
1 333 . 19 1 1 A 51 51 ASP HA H 51 4.709 4.775 -0.066 1
1 336 . 19 1 1 A 51 51 ASP N N 51 122.577 125.761 -3.184 1
1 337 . 19 1 1 A 52 52 MET H H 52 7.844 7.680 0.164 1
1 338 . 19 1 1 A 52 52 MET HA H 52 4.640 4.892 -0.252 1
1 343 . 19 1 1 A 52 52 MET N N 52 120.326 119.094 1.232 1
1 344 . 19 1 1 A 53 53 PRO HA H 53 3.950 4.578 -0.628 1
1 351 . 19 1 1 A 54 54 ASP H H 54 7.895 8.453 -0.558 1
1 352 . 19 1 1 A 54 54 ASP HA H 54 4.515 5.140 -0.625 1
1 355 . 19 1 1 A 54 54 ASP N N 54 118.468 119.702 -1.234 1
1 356 . 19 1 1 A 55 55 ASP H H 55 8.529 9.125 -0.596 1
1 357 . 19 1 1 A 55 55 ASP HA H 55 4.954 5.542 -0.588 1
1 360 . 19 1 1 A 55 55 ASP N N 55 121.071 118.786 2.285 1
1 361 . 19 1 1 A 56 56 ARG H H 56 8.294 8.968 -0.674 1
1 362 . 19 1 1 A 56 56 ARG HA H 56 5.215 5.574 -0.359 1
1 367 . 19 1 1 A 56 56 ARG N N 56 119.468 121.015 -1.547 1
1 368 . 19 1 1 A 57 57 CYS H H 57 9.244 9.526 -0.282 1
1 369 . 19 1 1 A 57 57 CYS HA H 57 4.757 4.594 0.163 1
1 372 . 19 1 1 A 57 57 CYS N N 57 119.308 122.111 -2.803 1
1 373 . 19 1 1 A 58 58 THR H H 58 10.180 8.562 1.618 1
1 374 . 19 1 1 A 58 58 THR HA H 58 4.442 4.785 -0.343 1
1 379 . 19 1 1 A 58 58 THR N N 58 117.445 113.521 3.924 1
1 380 . 19 1 1 A 59 59 GLY H H 59 8.546 7.809 0.737 1
1 381 . 19 1 1 A 59 59 GLY HA2 H 59 4.460 3.978 0.482 1
1 382 . 19 1 1 A 59 59 GLY HA3 H 59 4.460 4.001 0.459 1
1 383 . 19 1 1 A 59 59 GLY N N 59 115.880 111.056 4.824 1
1 384 . 19 1 1 A 60 60 GLN H H 60 7.986 8.500 -0.514 1
1 385 . 19 1 1 A 60 60 GLN HA H 60 4.298 4.588 -0.290 1
1 388 . 19 1 1 A 60 60 GLN N N 60 119.027 119.144 -0.117 1
1 390 . 19 1 1 A 61 61 SER H H 61 6.630 7.461 -0.831 1
1 391 . 19 1 1 A 61 61 SER HA H 61 3.880 4.259 -0.379 1
1 394 . 19 1 1 A 61 61 SER N N 61 114.913 115.324 -0.411 1
1 395 . 19 1 1 A 62 62 ALA H H 62 9.027 8.258 0.769 1
1 396 . 19 1 1 A 62 62 ALA HA H 62 4.435 4.204 0.231 1
1 400 . 19 1 1 A 62 62 ALA N N 62 129.628 127.526 2.102 1
1 401 . 19 1 1 A 63 63 ASP H H 63 8.080 7.691 0.389 1
1 402 . 19 1 1 A 63 63 ASP HA H 63 4.895 4.908 -0.013 1
1 405 . 19 1 1 A 63 63 ASP N N 63 121.506 116.001 5.505 1
1 406 . 19 1 1 A 64 64 CYS H H 64 8.924 8.716 0.208 1
1 407 . 19 1 1 A 64 64 CYS HA H 64 5.403 5.175 0.228 1
1 410 . 19 1 1 A 64 64 CYS N N 64 125.936 118.849 7.087 1
1 411 . 19 1 1 A 65 65 PRO HA H 65 4.375 4.611 -0.236 1
1 418 . 19 1 1 A 66 66 ARG H H 66 8.203 9.006 -0.803 1
1 419 . 19 1 1 A 66 66 ARG HA H 66 4.362 4.383 -0.021 1
1 426 . 19 1 1 A 66 66 ARG N N 66 123.580 119.244 4.336 1
1 427 . 19 1 1 A 67 67 TYR H H 67 8.650 7.797 0.853 1
1 428 . 19 1 1 A 67 67 TYR HA H 67 4.459 4.842 -0.383 1
1 435 . 19 1 1 A 67 67 TYR N N 67 128.872 115.918 12.954 1
1 5 . 20 1 1 A 2 2 LYS H H 2 8.331 7.811 0.520 1
1 10 . 20 1 1 A 2 2 LYS N N 2 125.285 121.266 4.019 1
1 11 . 20 1 1 A 3 3 GLU H H 3 8.659 8.777 -0.118 1
1 12 . 20 1 1 A 3 3 GLU HA H 3 4.322 4.655 -0.333 1
1 17 . 20 1 1 A 3 3 GLU N N 3 125.356 122.906 2.450 1
1 18 . 20 1 1 A 4 4 CYS H H 4 8.116 7.726 0.390 1
1 19 . 20 1 1 A 4 4 CYS HA H 4 4.975 5.502 -0.527 1
1 22 . 20 1 1 A 4 4 CYS N N 4 123.773 118.203 5.570 1
1 23 . 20 1 1 A 5 5 ASP H H 5 8.776 8.827 -0.051 1
1 24 . 20 1 1 A 5 5 ASP HA H 5 4.817 4.347 0.470 1
1 27 . 20 1 1 A 5 5 ASP N N 5 123.756 125.643 -1.887 1
1 28 . 20 1 1 A 6 6 CYS H H 6 6.975 7.502 -0.527 1
1 29 . 20 1 1 A 6 6 CYS HA H 6 4.931 4.928 0.003 1
1 32 . 20 1 1 A 6 6 CYS N N 6 116.724 113.046 3.678 1
1 33 . 20 1 1 A 7 7 SER H H 7 9.659 8.527 1.132 1
1 34 . 20 1 1 A 7 7 SER HA H 7 4.226 4.616 -0.390 1
1 37 . 20 1 1 A 7 7 SER N N 7 123.545 115.608 7.937 1
1 38 . 20 1 1 A 8 8 SER H H 8 7.862 7.760 0.102 1
1 39 . 20 1 1 A 8 8 SER HA H 8 5.137 4.579 0.558 1
1 42 . 20 1 1 A 8 8 SER N N 8 119.712 116.536 3.176 1
1 43 . 20 1 1 A 9 9 PRO HA H 9 4.559 4.553 0.006 1
1 50 . 20 1 1 A 10 10 GLU H H 10 8.244 8.297 -0.053 1
1 51 . 20 1 1 A 10 10 GLU HA H 10 4.294 4.666 -0.372 1
1 56 . 20 1 1 A 10 10 GLU N N 10 120.855 117.390 3.465 1
1 57 . 20 1 1 A 11 11 ASN H H 11 7.260 7.344 -0.084 1
1 58 . 20 1 1 A 11 11 ASN HA H 11 4.794 4.993 -0.199 1
1 63 . 20 1 1 A 11 11 ASN N N 11 124.776 120.117 4.659 1
1 65 . 20 1 1 A 12 12 PRO HA H 12 4.704 4.505 0.199 1
1 72 . 20 1 1 A 13 13 CYS H H 13 8.931 8.227 0.704 1
1 73 . 20 1 1 A 13 13 CYS HA H 13 4.648 4.478 0.170 1
1 76 . 20 1 1 A 13 13 CYS N N 13 121.945 114.033 7.912 1
1 77 . 20 1 1 A 14 14 CYS H H 14 7.543 7.643 -0.100 1
1 78 . 20 1 1 A 14 14 CYS HA H 14 5.056 5.112 -0.056 1
1 81 . 20 1 1 A 14 14 CYS N N 14 116.460 115.908 0.552 1
1 82 . 20 1 1 A 15 15 ASP H H 15 8.212 9.303 -1.091 1
1 83 . 20 1 1 A 15 15 ASP HA H 15 4.570 4.697 -0.127 1
1 86 . 20 1 1 A 15 15 ASP N N 15 125.197 123.922 1.275 1
1 87 . 20 1 1 A 16 16 ALA H H 16 8.996 8.995 0.001 1
1 88 . 20 1 1 A 16 16 ALA HA H 16 4.148 3.969 0.179 1
1 92 . 20 1 1 A 16 16 ALA N N 16 135.341 129.473 5.868 1
1 93 . 20 1 1 A 17 17 ALA H H 17 8.669 8.132 0.537 1
1 94 . 20 1 1 A 17 17 ALA HA H 17 4.361 4.093 0.268 1
1 98 . 20 1 1 A 17 17 ALA N N 17 121.910 118.983 2.927 1
1 99 . 20 1 1 A 18 18 THR H H 18 7.743 7.432 0.311 1
1 100 . 20 1 1 A 18 18 THR HA H 18 4.445 4.447 -0.002 1
1 105 . 20 1 1 A 18 18 THR N N 18 109.481 106.012 3.469 1
1 106 . 20 1 1 A 19 19 CYS H H 19 8.601 8.722 -0.121 1
1 107 . 20 1 1 A 19 19 CYS HA H 19 4.642 4.140 0.502 1
1 110 . 20 1 1 A 19 19 CYS N N 19 123.176 118.534 4.642 1
1 111 . 20 1 1 A 20 20 LYS H H 20 7.964 7.471 0.493 1
1 112 . 20 1 1 A 20 20 LYS HA H 20 4.945 4.718 0.227 1
1 117 . 20 1 1 A 20 20 LYS N N 20 122.525 120.193 2.332 1
1 118 . 20 1 1 A 21 21 LEU H H 21 9.211 8.548 0.663 1
1 119 . 20 1 1 A 21 21 LEU HA H 21 4.285 4.483 -0.198 1
1 129 . 20 1 1 A 21 21 LEU N N 21 124.582 121.914 2.668 1
1 130 . 20 1 1 A 22 22 ARG H H 22 8.490 8.808 -0.318 1
1 131 . 20 1 1 A 22 22 ARG HA H 22 4.448 4.409 0.039 1
1 137 . 20 1 1 A 22 22 ARG N N 22 126.604 123.545 3.059 1
1 139 . 20 1 1 A 23 23 PRO HA H 23 4.389 4.499 -0.110 1
1 144 . 20 1 1 A 24 24 GLY H H 24 8.830 8.338 0.492 1
1 145 . 20 1 1 A 24 24 GLY HA2 H 24 4.295 3.915 0.380 1
1 146 . 20 1 1 A 24 24 GLY HA3 H 24 3.664 3.918 -0.254 1
1 147 . 20 1 1 A 24 24 GLY N N 24 117.708 106.482 11.226 1
1 148 . 20 1 1 A 25 25 ALA H H 25 7.942 7.769 0.173 1
1 149 . 20 1 1 A 25 25 ALA HA H 25 4.540 4.139 0.401 1
1 153 . 20 1 1 A 25 25 ALA N N 25 127.553 123.056 4.497 1
1 154 . 20 1 1 A 26 26 GLN H H 26 8.827 8.488 0.339 1
1 155 . 20 1 1 A 26 26 GLN HA H 26 4.113 3.845 0.268 1
1 162 . 20 1 1 A 26 26 GLN N N 26 122.086 120.684 1.402 1
1 164 . 20 1 1 A 27 27 CYS H H 27 7.805 7.591 0.214 1
1 165 . 20 1 1 A 27 27 CYS HA H 27 4.555 4.688 -0.133 1
1 168 . 20 1 1 A 27 27 CYS N N 27 117.409 115.009 2.400 1
1 169 . 20 1 1 A 28 28 GLY H H 28 9.163 8.695 0.468 1
1 170 . 20 1 1 A 28 28 GLY HA2 H 28 4.446 3.828 0.618 1
1 171 . 20 1 1 A 28 28 GLY HA3 H 28 3.574 3.842 -0.268 1
1 172 . 20 1 1 A 28 28 GLY N N 28 109.041 114.853 -5.812 1
1 173 . 20 1 1 A 29 29 GLU H H 29 7.844 7.846 -0.002 1
1 174 . 20 1 1 A 29 29 GLU HA H 29 4.782 4.865 -0.083 1
1 179 . 20 1 1 A 29 29 GLU N N 29 122.174 118.443 3.731 1
1 180 . 20 1 1 A 30 30 GLY H H 30 8.391 8.457 -0.066 1
1 181 . 20 1 1 A 30 30 GLY HA2 H 30 4.915 4.296 0.619 1
1 182 . 20 1 1 A 30 30 GLY HA3 H 30 3.925 4.319 -0.394 1
1 183 . 20 1 1 A 30 30 GLY N N 30 112.663 111.294 1.369 1
1 184 . 20 1 1 A 31 31 LEU H H 31 8.960 8.840 0.120 1
1 185 . 20 1 1 A 31 31 LEU HA H 31 4.354 3.967 0.387 1
1 195 . 20 1 1 A 31 31 LEU N N 31 125.039 119.958 5.081 1
1 196 . 20 1 1 A 32 32 CYS H H 32 8.467 8.255 0.212 1
1 197 . 20 1 1 A 32 32 CYS HA H 32 5.108 4.707 0.401 1
1 200 . 20 1 1 A 32 32 CYS N N 32 119.167 113.446 5.721 1
1 201 . 20 1 1 A 33 33 CYS H H 33 7.365 8.095 -0.730 1
1 202 . 20 1 1 A 33 33 CYS HA H 33 5.291 5.780 -0.489 1
1 205 . 20 1 1 A 33 33 CYS N N 33 125.303 121.228 4.075 1
1 206 . 20 1 1 A 34 34 GLU H H 34 9.742 8.503 1.239 1
1 207 . 20 1 1 A 34 34 GLU HA H 34 4.682 4.653 0.029 1
1 212 . 20 1 1 A 34 34 GLU N N 34 132.652 125.325 7.327 1
1 213 . 20 1 1 A 35 35 GLN H H 35 9.453 9.261 0.192 1
1 214 . 20 1 1 A 35 35 GLN HA H 35 3.999 3.920 0.079 1
1 219 . 20 1 1 A 35 35 GLN N N 35 129.593 123.403 6.190 1
1 221 . 20 1 1 A 36 36 CYS H H 36 8.492 8.396 0.096 1
1 222 . 20 1 1 A 36 36 CYS HA H 36 4.801 4.606 0.195 1
1 225 . 20 1 1 A 36 36 CYS N N 36 109.569 111.035 -1.466 1
1 226 . 20 1 1 A 37 37 LYS H H 37 8.024 7.467 0.557 1
1 227 . 20 1 1 A 37 37 LYS HA H 37 4.703 4.699 0.004 1
1 236 . 20 1 1 A 37 37 LYS N N 37 125.110 119.164 5.946 1
1 237 . 20 1 1 A 38 38 PHE H H 38 8.276 8.423 -0.147 1
1 238 . 20 1 1 A 38 38 PHE HA H 38 5.141 4.489 0.652 1
1 245 . 20 1 1 A 38 38 PHE N N 38 123.897 120.243 3.654 1
1 246 . 20 1 1 A 39 39 SER H H 39 9.044 8.717 0.327 1
1 247 . 20 1 1 A 39 39 SER HA H 39 4.274 4.643 -0.369 1
1 250 . 20 1 1 A 39 39 SER N N 39 125.655 118.181 7.474 1
1 251 . 20 1 1 A 40 40 ARG H H 40 8.573 8.438 0.135 1
1 252 . 20 1 1 A 40 40 ARG HA H 40 4.101 4.924 -0.823 1
1 259 . 20 1 1 A 40 40 ARG N N 40 125.848 121.262 4.586 1
1 260 . 20 1 1 A 41 41 ALA H H 41 8.501 8.497 0.004 1
1 261 . 20 1 1 A 41 41 ALA HA H 41 3.724 4.531 -0.807 1
1 265 . 20 1 1 A 41 41 ALA N N 41 127.729 124.139 3.590 1
1 266 . 20 1 1 A 42 42 GLY H H 42 8.619 8.979 -0.360 1
1 267 . 20 1 1 A 42 42 GLY HA2 H 42 4.486 3.877 0.609 1
1 268 . 20 1 1 A 42 42 GLY HA3 H 42 3.587 3.878 -0.291 1
1 269 . 20 1 1 A 42 42 GLY N N 42 114.579 109.251 5.328 1
1 270 . 20 1 1 A 43 43 LYS H H 43 7.535 7.527 0.008 1
1 271 . 20 1 1 A 43 43 LYS HA H 43 4.149 4.334 -0.185 1
1 280 . 20 1 1 A 43 43 LYS N N 43 126.780 122.049 4.731 1
1 281 . 20 1 1 A 44 44 ILE H H 44 8.799 8.562 0.237 1
1 282 . 20 1 1 A 44 44 ILE HA H 44 4.035 4.279 -0.244 1
1 290 . 20 1 1 A 44 44 ILE N N 44 128.394 126.730 1.664 1
1 291 . 20 1 1 A 45 45 CYS H H 45 9.336 8.684 0.652 1
1 292 . 20 1 1 A 45 45 CYS HA H 45 5.067 4.463 0.604 1
1 295 . 20 1 1 A 45 45 CYS N N 45 123.510 127.495 -3.985 1
1 296 . 20 1 1 A 46 46 ARG H H 46 7.483 7.532 -0.049 1
1 297 . 20 1 1 A 46 46 ARG HA H 46 4.337 4.823 -0.486 1
1 302 . 20 1 1 A 46 46 ARG N N 46 122.966 118.530 4.436 1
1 303 . 20 1 1 A 47 47 ILE H H 47 8.341 8.848 -0.507 1
1 304 . 20 1 1 A 47 47 ILE HA H 47 4.235 4.484 -0.249 1
1 314 . 20 1 1 A 47 47 ILE N N 47 126.231 125.680 0.551 1
1 315 . 20 1 1 A 48 48 ALA H H 48 9.123 7.888 1.235 1
1 316 . 20 1 1 A 48 48 ALA HA H 48 4.182 4.324 -0.142 1
1 320 . 20 1 1 A 48 48 ALA N N 48 130.514 128.554 1.960 1
1 321 . 20 1 1 A 49 49 ARG H H 49 8.023 8.456 -0.433 1
1 322 . 20 1 1 A 49 49 ARG HA H 49 4.446 4.771 -0.325 1
1 327 . 20 1 1 A 49 49 ARG N N 49 119.731 121.080 -1.349 1
1 328 . 20 1 1 A 50 50 GLY H H 50 8.427 8.471 -0.044 1
1 329 . 20 1 1 A 50 50 GLY HA2 H 50 3.819 4.055 -0.236 1
1 330 . 20 1 1 A 50 50 GLY HA3 H 50 3.868 4.057 -0.189 1
1 331 . 20 1 1 A 50 50 GLY N N 50 110.845 109.004 1.841 1
1 332 . 20 1 1 A 51 51 ASP H H 51 8.616 8.886 -0.270 1
1 333 . 20 1 1 A 51 51 ASP HA H 51 4.709 4.557 0.152 1
1 336 . 20 1 1 A 51 51 ASP N N 51 122.577 125.635 -3.058 1
1 337 . 20 1 1 A 52 52 MET H H 52 7.844 7.590 0.254 1
1 338 . 20 1 1 A 52 52 MET HA H 52 4.640 4.488 0.152 1
1 343 . 20 1 1 A 52 52 MET N N 52 120.326 120.869 -0.543 1
1 344 . 20 1 1 A 53 53 PRO HA H 53 3.950 4.580 -0.630 1
1 351 . 20 1 1 A 54 54 ASP H H 54 7.895 8.551 -0.656 1
1 352 . 20 1 1 A 54 54 ASP HA H 54 4.515 5.152 -0.637 1
1 355 . 20 1 1 A 54 54 ASP N N 54 118.468 120.267 -1.799 1
1 356 . 20 1 1 A 55 55 ASP H H 55 8.529 8.829 -0.300 1
1 357 . 20 1 1 A 55 55 ASP HA H 55 4.954 5.535 -0.581 1
1 360 . 20 1 1 A 55 55 ASP N N 55 121.071 118.233 2.838 1
1 361 . 20 1 1 A 56 56 ARG H H 56 8.294 8.935 -0.641 1
1 362 . 20 1 1 A 56 56 ARG HA H 56 5.215 5.413 -0.198 1
1 367 . 20 1 1 A 56 56 ARG N N 56 119.468 122.712 -3.244 1
1 368 . 20 1 1 A 57 57 CYS H H 57 9.244 9.556 -0.312 1
1 369 . 20 1 1 A 57 57 CYS HA H 57 4.757 4.549 0.208 1
1 372 . 20 1 1 A 57 57 CYS N N 57 119.308 121.401 -2.093 1
1 373 . 20 1 1 A 58 58 THR H H 58 10.180 8.503 1.677 1
1 374 . 20 1 1 A 58 58 THR HA H 58 4.442 4.700 -0.258 1
1 379 . 20 1 1 A 58 58 THR N N 58 117.445 114.633 2.812 1
1 380 . 20 1 1 A 59 59 GLY H H 59 8.546 7.778 0.768 1
1 381 . 20 1 1 A 59 59 GLY HA2 H 59 4.460 3.954 0.506 1
1 382 . 20 1 1 A 59 59 GLY HA3 H 59 4.460 3.969 0.491 1
1 383 . 20 1 1 A 59 59 GLY N N 59 115.880 110.043 5.837 1
1 384 . 20 1 1 A 60 60 GLN H H 60 7.986 7.574 0.412 1
1 385 . 20 1 1 A 60 60 GLN HA H 60 4.298 4.060 0.238 1
1 388 . 20 1 1 A 60 60 GLN N N 60 119.027 117.265 1.762 1
1 390 . 20 1 1 A 61 61 SER H H 61 6.630 7.565 -0.935 1
1 391 . 20 1 1 A 61 61 SER HA H 61 3.880 4.368 -0.488 1
1 394 . 20 1 1 A 61 61 SER N N 61 114.913 116.041 -1.128 1
1 395 . 20 1 1 A 62 62 ALA H H 62 9.027 8.709 0.318 1
1 396 . 20 1 1 A 62 62 ALA HA H 62 4.435 4.357 0.078 1
1 400 . 20 1 1 A 62 62 ALA N N 62 129.628 129.053 0.575 1
1 401 . 20 1 1 A 63 63 ASP H H 63 8.080 8.027 0.053 1
1 402 . 20 1 1 A 63 63 ASP HA H 63 4.895 4.743 0.152 1
1 405 . 20 1 1 A 63 63 ASP N N 63 121.506 116.131 5.375 1
1 406 . 20 1 1 A 64 64 CYS H H 64 8.924 8.536 0.388 1
1 407 . 20 1 1 A 64 64 CYS HA H 64 5.403 5.131 0.272 1
1 410 . 20 1 1 A 64 64 CYS N N 64 125.936 118.691 7.245 1
1 411 . 20 1 1 A 65 65 PRO HA H 65 4.375 4.614 -0.239 1
1 418 . 20 1 1 A 66 66 ARG H H 66 8.203 8.468 -0.265 1
1 419 . 20 1 1 A 66 66 ARG HA H 66 4.362 4.707 -0.345 1
1 426 . 20 1 1 A 66 66 ARG N N 66 123.580 120.223 3.357 1
1 427 . 20 1 1 A 67 67 TYR H H 67 8.650 8.692 -0.042 1
1 428 . 20 1 1 A 67 67 TYR HA H 67 4.459 4.439 0.020 1
1 435 . 20 1 1 A 67 67 TYR N N 67 128.872 120.969 7.903 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 0 0.000 1
3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
4 1 1 1 "RMS(OBS, PRED)" H 61 0.615 1
5 1 1 1 "RMS(OBS, PRED)" HA 71 0.333 1
6 1 1 1 "RMS(OBS, PRED)" N 61 4.578 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 2 1 "RMS(OBS, PRED)" H 61 0.591 1
11 1 2 1 "RMS(OBS, PRED)" HA 71 0.334 1
12 1 2 1 "RMS(OBS, PRED)" N 61 4.644 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 3 1 "RMS(OBS, PRED)" H 61 0.567 1
17 1 3 1 "RMS(OBS, PRED)" HA 71 0.415 1
18 1 3 1 "RMS(OBS, PRED)" N 61 4.682 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 4 1 "RMS(OBS, PRED)" H 61 0.539 1
23 1 4 1 "RMS(OBS, PRED)" HA 71 0.380 1
24 1 4 1 "RMS(OBS, PRED)" N 61 4.668 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 5 1 "RMS(OBS, PRED)" H 61 0.545 1
29 1 5 1 "RMS(OBS, PRED)" HA 71 0.395 1
30 1 5 1 "RMS(OBS, PRED)" N 61 4.509 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 6 1 "RMS(OBS, PRED)" H 61 0.546 1
35 1 6 1 "RMS(OBS, PRED)" HA 71 0.407 1
36 1 6 1 "RMS(OBS, PRED)" N 61 4.507 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 7 1 "RMS(OBS, PRED)" H 61 0.551 1
41 1 7 1 "RMS(OBS, PRED)" HA 71 0.351 1
42 1 7 1 "RMS(OBS, PRED)" N 61 4.582 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 8 1 "RMS(OBS, PRED)" H 61 0.508 1
47 1 8 1 "RMS(OBS, PRED)" HA 71 0.385 1
48 1 8 1 "RMS(OBS, PRED)" N 61 4.716 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 61 0.640 1
53 1 9 1 "RMS(OBS, PRED)" HA 71 0.398 1
54 1 9 1 "RMS(OBS, PRED)" N 61 4.949 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 10 1 "RMS(OBS, PRED)" H 61 0.562 1
59 1 10 1 "RMS(OBS, PRED)" HA 71 0.351 1
60 1 10 1 "RMS(OBS, PRED)" N 61 4.496 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 11 1 "RMS(OBS, PRED)" H 61 0.607 1
65 1 11 1 "RMS(OBS, PRED)" HA 71 0.396 1
66 1 11 1 "RMS(OBS, PRED)" N 61 4.451 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 12 1 "RMS(OBS, PRED)" H 61 0.544 1
71 1 12 1 "RMS(OBS, PRED)" HA 71 0.397 1
72 1 12 1 "RMS(OBS, PRED)" N 61 4.463 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 13 1 "RMS(OBS, PRED)" H 61 0.584 1
77 1 13 1 "RMS(OBS, PRED)" HA 71 0.370 1
78 1 13 1 "RMS(OBS, PRED)" N 61 4.452 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 14 1 "RMS(OBS, PRED)" H 61 0.570 1
83 1 14 1 "RMS(OBS, PRED)" HA 71 0.390 1
84 1 14 1 "RMS(OBS, PRED)" N 61 4.451 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 15 1 "RMS(OBS, PRED)" H 61 0.585 1
89 1 15 1 "RMS(OBS, PRED)" HA 71 0.415 1
90 1 15 1 "RMS(OBS, PRED)" N 61 4.376 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 16 1 "RMS(OBS, PRED)" H 61 0.555 1
95 1 16 1 "RMS(OBS, PRED)" HA 71 0.349 1
96 1 16 1 "RMS(OBS, PRED)" N 61 4.579 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 17 1 "RMS(OBS, PRED)" H 61 0.528 1
101 1 17 1 "RMS(OBS, PRED)" HA 71 0.348 1
102 1 17 1 "RMS(OBS, PRED)" N 61 4.456 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 18 1 "RMS(OBS, PRED)" H 61 0.585 1
107 1 18 1 "RMS(OBS, PRED)" HA 71 0.336 1
108 1 18 1 "RMS(OBS, PRED)" N 61 4.394 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 19 1 "RMS(OBS, PRED)" H 61 0.594 1
113 1 19 1 "RMS(OBS, PRED)" HA 71 0.405 1
114 1 19 1 "RMS(OBS, PRED)" N 61 4.756 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 20 1 "RMS(OBS, PRED)" H 61 0.528 1
119 1 20 1 "RMS(OBS, PRED)" HA 71 0.369 1
120 1 20 1 "RMS(OBS, PRED)" N 61 4.449 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 5 . 1 1 A 2 2 LYS H H 2 8.331 8.228 0.103 2
1 10 . 1 1 A 2 2 LYS N N 2 125.285 121.077 4.208 2
1 11 . 1 1 A 3 3 GLU H H 3 8.659 8.514 0.145 2
1 12 . 1 1 A 3 3 GLU HA H 3 4.322 4.456 -0.134 2
1 17 . 1 1 A 3 3 GLU N N 3 125.356 120.695 4.661 2
1 18 . 1 1 A 4 4 CYS H H 4 8.116 7.688 0.428 2
1 19 . 1 1 A 4 4 CYS HA H 4 4.975 5.492 -0.517 2
1 22 . 1 1 A 4 4 CYS N N 4 123.773 118.638 5.135 2
1 23 . 1 1 A 5 5 ASP H H 5 8.776 9.882 -1.106 2
1 24 . 1 1 A 5 5 ASP HA H 5 4.817 4.624 0.193 2
1 27 . 1 1 A 5 5 ASP N N 5 123.756 124.711 -0.955 2
1 28 . 1 1 A 6 6 CYS H H 6 6.975 7.396 -0.421 2
1 29 . 1 1 A 6 6 CYS HA H 6 4.931 4.965 -0.034 2
1 32 . 1 1 A 6 6 CYS N N 6 116.724 114.292 2.432 2
1 33 . 1 1 A 7 7 SER H H 7 9.659 8.708 0.951 2
1 34 . 1 1 A 7 7 SER HA H 7 4.226 4.624 -0.398 2
1 37 . 1 1 A 7 7 SER N N 7 123.545 116.831 6.714 2
1 38 . 1 1 A 8 8 SER H H 8 7.862 7.730 0.132 2
1 39 . 1 1 A 8 8 SER HA H 8 5.137 4.828 0.309 2
1 42 . 1 1 A 8 8 SER N N 8 119.712 116.635 3.077 2
1 43 . 1 1 A 9 9 PRO HA H 9 4.559 4.575 -0.016 2
1 50 . 1 1 A 10 10 GLU H H 10 8.244 8.335 -0.091 2
1 51 . 1 1 A 10 10 GLU HA H 10 4.294 4.495 -0.201 2
1 56 . 1 1 A 10 10 GLU N N 10 120.855 117.188 3.667 2
1 57 . 1 1 A 11 11 ASN H H 11 7.260 7.621 -0.361 2
1 58 . 1 1 A 11 11 ASN HA H 11 4.794 4.989 -0.196 2
1 63 . 1 1 A 11 11 ASN N N 11 124.776 120.366 4.410 2
1 65 . 1 1 A 12 12 PRO HA H 12 4.704 4.456 0.248 2
1 72 . 1 1 A 13 13 CYS H H 13 8.931 8.625 0.306 2
1 73 . 1 1 A 13 13 CYS HA H 13 4.648 4.587 0.061 2
1 76 . 1 1 A 13 13 CYS N N 13 121.945 114.820 7.125 2
1 77 . 1 1 A 14 14 CYS H H 14 7.543 7.414 0.129 2
1 78 . 1 1 A 14 14 CYS HA H 14 5.056 5.268 -0.212 2
1 81 . 1 1 A 14 14 CYS N N 14 116.460 117.826 -1.366 2
1 82 . 1 1 A 15 15 ASP H H 15 8.212 9.356 -1.144 2
1 83 . 1 1 A 15 15 ASP HA H 15 4.570 4.776 -0.205 2
1 86 . 1 1 A 15 15 ASP N N 15 125.197 124.649 0.548 2
1 87 . 1 1 A 16 16 ALA H H 16 8.996 8.928 0.068 2
1 88 . 1 1 A 16 16 ALA HA H 16 4.148 3.965 0.183 2
1 92 . 1 1 A 16 16 ALA N N 16 135.341 129.093 6.248 2
1 93 . 1 1 A 17 17 ALA H H 17 8.669 7.937 0.732 2
1 94 . 1 1 A 17 17 ALA HA H 17 4.361 4.070 0.291 2
1 98 . 1 1 A 17 17 ALA N N 17 121.910 119.321 2.589 2
1 99 . 1 1 A 18 18 THR H H 18 7.743 7.723 0.020 2
1 100 . 1 1 A 18 18 THR HA H 18 4.445 4.466 -0.021 2
1 105 . 1 1 A 18 18 THR N N 18 109.481 108.479 1.002 2
1 106 . 1 1 A 19 19 CYS H H 19 8.601 8.366 0.235 2
1 107 . 1 1 A 19 19 CYS HA H 19 4.642 4.202 0.440 2
1 110 . 1 1 A 19 19 CYS N N 19 123.176 119.912 3.264 2
1 111 . 1 1 A 20 20 LYS H H 20 7.964 7.536 0.428 2
1 112 . 1 1 A 20 20 LYS HA H 20 4.945 4.740 0.205 2
1 117 . 1 1 A 20 20 LYS N N 20 122.525 120.517 2.008 2
1 118 . 1 1 A 21 21 LEU H H 21 9.211 8.541 0.670 2
1 119 . 1 1 A 21 21 LEU HA H 21 4.285 4.689 -0.403 2
1 129 . 1 1 A 21 21 LEU N N 21 124.582 121.260 3.322 2
1 130 . 1 1 A 22 22 ARG H H 22 8.490 8.552 -0.062 2
1 131 . 1 1 A 22 22 ARG HA H 22 4.448 4.451 -0.003 2
1 137 . 1 1 A 22 22 ARG N N 22 126.604 122.922 3.682 2
1 139 . 1 1 A 23 23 PRO HA H 23 4.389 4.487 -0.098 2
1 144 . 1 1 A 24 24 GLY H H 24 8.830 8.347 0.483 2
1 145 . 1 1 A 24 24 GLY HA2 H 24 4.295 3.908 0.387 2
1 146 . 1 1 A 24 24 GLY HA3 H 24 3.664 3.910 -0.246 2
1 147 . 1 1 A 24 24 GLY N N 24 117.708 106.424 11.284 2
1 148 . 1 1 A 25 25 ALA H H 25 7.942 7.712 0.230 2
1 149 . 1 1 A 25 25 ALA HA H 25 4.540 4.312 0.228 2
1 153 . 1 1 A 25 25 ALA N N 25 127.553 122.414 5.139 2
1 154 . 1 1 A 26 26 GLN H H 26 8.827 8.577 0.250 2
1 155 . 1 1 A 26 26 GLN HA H 26 4.113 4.062 0.051 2
1 162 . 1 1 A 26 26 GLN N N 26 122.086 118.748 3.338 2
1 164 . 1 1 A 27 27 CYS H H 27 7.805 7.591 0.214 2
1 165 . 1 1 A 27 27 CYS HA H 27 4.555 4.803 -0.248 2
1 168 . 1 1 A 27 27 CYS N N 27 117.409 114.352 3.057 2
1 169 . 1 1 A 28 28 GLY H H 28 9.163 8.520 0.643 2
1 170 . 1 1 A 28 28 GLY HA2 H 28 4.446 3.947 0.499 2
1 171 . 1 1 A 28 28 GLY HA3 H 28 3.574 3.958 -0.384 2
1 172 . 1 1 A 28 28 GLY N N 28 109.041 111.569 -2.528 2
1 173 . 1 1 A 29 29 GLU H H 29 7.844 7.937 -0.093 2
1 174 . 1 1 A 29 29 GLU HA H 29 4.782 4.840 -0.058 2
1 179 . 1 1 A 29 29 GLU N N 29 122.174 115.967 6.207 2
1 180 . 1 1 A 30 30 GLY H H 30 8.391 8.436 -0.045 2
1 181 . 1 1 A 30 30 GLY HA2 H 30 4.915 4.264 0.651 2
1 182 . 1 1 A 30 30 GLY HA3 H 30 3.925 4.281 -0.356 2
1 183 . 1 1 A 30 30 GLY N N 30 112.663 108.564 4.099 2
1 184 . 1 1 A 31 31 LEU H H 31 8.960 8.846 0.114 2
1 185 . 1 1 A 31 31 LEU HA H 31 4.354 3.977 0.377 2
1 195 . 1 1 A 31 31 LEU N N 31 125.039 120.704 4.335 2
1 196 . 1 1 A 32 32 CYS H H 32 8.467 8.480 -0.013 2
1 197 . 1 1 A 32 32 CYS HA H 32 5.108 4.720 0.388 2
1 200 . 1 1 A 32 32 CYS N N 32 119.167 113.689 5.478 2
1 201 . 1 1 A 33 33 CYS H H 33 7.365 7.708 -0.343 2
1 202 . 1 1 A 33 33 CYS HA H 33 5.291 5.573 -0.282 2
1 205 . 1 1 A 33 33 CYS N N 33 125.303 120.531 4.772 2
1 206 . 1 1 A 34 34 GLU H H 34 9.742 8.725 1.017 2
1 207 . 1 1 A 34 34 GLU HA H 34 4.682 4.676 0.006 2
1 212 . 1 1 A 34 34 GLU N N 34 132.652 126.221 6.431 2
1 213 . 1 1 A 35 35 GLN H H 35 9.453 9.371 0.082 2
1 214 . 1 1 A 35 35 GLN HA H 35 3.999 3.928 0.071 2
1 219 . 1 1 A 35 35 GLN N N 35 129.593 124.162 5.431 2
1 221 . 1 1 A 36 36 CYS H H 36 8.492 8.414 0.078 2
1 222 . 1 1 A 36 36 CYS HA H 36 4.801 4.405 0.396 2
1 225 . 1 1 A 36 36 CYS N N 36 109.569 110.201 -0.632 2
1 226 . 1 1 A 37 37 LYS H H 37 8.024 7.527 0.497 2
1 227 . 1 1 A 37 37 LYS HA H 37 4.703 4.739 -0.036 2
1 236 . 1 1 A 37 37 LYS N N 37 125.110 119.569 5.541 2
1 237 . 1 1 A 38 38 PHE H H 38 8.276 8.506 -0.230 2
1 238 . 1 1 A 38 38 PHE HA H 38 5.141 4.536 0.605 2
1 245 . 1 1 A 38 38 PHE N N 38 123.897 121.121 2.776 2
1 246 . 1 1 A 39 39 SER H H 39 9.044 8.839 0.205 2
1 247 . 1 1 A 39 39 SER HA H 39 4.274 4.563 -0.289 2
1 250 . 1 1 A 39 39 SER N N 39 125.655 118.409 7.246 2
1 251 . 1 1 A 40 40 ARG H H 40 8.573 8.339 0.234 2
1 252 . 1 1 A 40 40 ARG HA H 40 4.101 4.681 -0.580 2
1 259 . 1 1 A 40 40 ARG N N 40 125.848 121.159 4.689 2
1 260 . 1 1 A 41 41 ALA H H 41 8.501 8.501 -0.000 2
1 261 . 1 1 A 41 41 ALA HA H 41 3.724 4.145 -0.421 2
1 265 . 1 1 A 41 41 ALA N N 41 127.729 124.622 3.107 2
1 266 . 1 1 A 42 42 GLY H H 42 8.619 9.518 -0.899 2
1 267 . 1 1 A 42 42 GLY HA2 H 42 4.486 3.863 0.623 2
1 268 . 1 1 A 42 42 GLY HA3 H 42 3.587 3.866 -0.279 2
1 269 . 1 1 A 42 42 GLY N N 42 114.579 109.934 4.645 2
1 270 . 1 1 A 43 43 LYS H H 43 7.535 7.616 -0.081 2
1 271 . 1 1 A 43 43 LYS HA H 43 4.149 4.552 -0.403 2
1 280 . 1 1 A 43 43 LYS N N 43 126.780 121.033 5.747 2
1 281 . 1 1 A 44 44 ILE H H 44 8.799 8.561 0.238 2
1 282 . 1 1 A 44 44 ILE HA H 44 4.035 4.326 -0.291 2
1 290 . 1 1 A 44 44 ILE N N 44 128.394 126.424 1.970 2
1 291 . 1 1 A 45 45 CYS H H 45 9.336 8.671 0.665 2
1 292 . 1 1 A 45 45 CYS HA H 45 5.067 4.519 0.548 2
1 295 . 1 1 A 45 45 CYS N N 45 123.510 126.851 -3.341 2
1 296 . 1 1 A 46 46 ARG H H 46 7.483 7.442 0.041 2
1 297 . 1 1 A 46 46 ARG HA H 46 4.337 4.897 -0.560 2
1 302 . 1 1 A 46 46 ARG N N 46 122.966 119.395 3.571 2
1 303 . 1 1 A 47 47 ILE H H 47 8.341 8.811 -0.470 2
1 304 . 1 1 A 47 47 ILE HA H 47 4.235 4.692 -0.457 2
1 314 . 1 1 A 47 47 ILE N N 47 126.231 124.902 1.329 2
1 315 . 1 1 A 48 48 ALA H H 48 9.123 8.652 0.471 2
1 316 . 1 1 A 48 48 ALA HA H 48 4.182 4.836 -0.654 2
1 320 . 1 1 A 48 48 ALA N N 48 130.514 129.206 1.309 2
1 321 . 1 1 A 49 49 ARG H H 49 8.023 8.480 -0.457 2
1 322 . 1 1 A 49 49 ARG HA H 49 4.446 4.585 -0.139 2
1 327 . 1 1 A 49 49 ARG N N 49 119.731 121.555 -1.824 2
1 328 . 1 1 A 50 50 GLY H H 50 8.427 8.194 0.233 2
1 329 . 1 1 A 50 50 GLY HA2 H 50 3.819 4.130 -0.311 2
1 330 . 1 1 A 50 50 GLY HA3 H 50 3.868 4.132 -0.264 2
1 331 . 1 1 A 50 50 GLY N N 50 110.845 109.072 1.773 2
1 332 . 1 1 A 51 51 ASP H H 51 8.616 8.656 -0.040 2
1 333 . 1 1 A 51 51 ASP HA H 51 4.709 4.694 0.015 2
1 336 . 1 1 A 51 51 ASP N N 51 122.577 124.276 -1.699 2
1 337 . 1 1 A 52 52 MET H H 52 7.844 7.699 0.145 2
1 338 . 1 1 A 52 52 MET HA H 52 4.640 4.802 -0.162 2
1 343 . 1 1 A 52 52 MET N N 52 120.326 119.660 0.666 2
1 344 . 1 1 A 53 53 PRO HA H 53 3.950 4.584 -0.634 2
1 351 . 1 1 A 54 54 ASP H H 54 7.895 8.450 -0.555 2
1 352 . 1 1 A 54 54 ASP HA H 54 4.515 5.131 -0.616 2
1 355 . 1 1 A 54 54 ASP N N 54 118.468 119.905 -1.437 2
1 356 . 1 1 A 55 55 ASP H H 55 8.529 8.875 -0.346 2
1 357 . 1 1 A 55 55 ASP HA H 55 4.954 5.286 -0.332 2
1 360 . 1 1 A 55 55 ASP N N 55 121.071 120.599 0.472 2
1 361 . 1 1 A 56 56 ARG H H 56 8.294 8.925 -0.631 2
1 362 . 1 1 A 56 56 ARG HA H 56 5.215 5.338 -0.123 2
1 367 . 1 1 A 56 56 ARG N N 56 119.468 123.321 -3.853 2
1 368 . 1 1 A 57 57 CYS H H 57 9.244 9.812 -0.568 2
1 369 . 1 1 A 57 57 CYS HA H 57 4.757 4.566 0.191 2
1 372 . 1 1 A 57 57 CYS N N 57 119.308 121.468 -2.160 2
1 373 . 1 1 A 58 58 THR H H 58 10.180 8.529 1.651 2
1 374 . 1 1 A 58 58 THR HA H 58 4.442 4.606 -0.164 2
1 379 . 1 1 A 58 58 THR N N 58 117.445 115.205 2.240 2
1 380 . 1 1 A 59 59 GLY H H 59 8.546 7.814 0.732 2
1 381 . 1 1 A 59 59 GLY HA2 H 59 4.460 3.946 0.514 2
1 382 . 1 1 A 59 59 GLY HA3 H 59 4.460 3.966 0.494 2
1 383 . 1 1 A 59 59 GLY N N 59 115.880 110.305 5.575 2
1 384 . 1 1 A 60 60 GLN H H 60 7.986 7.901 0.085 2
1 385 . 1 1 A 60 60 GLN HA H 60 4.298 4.064 0.234 2
1 388 . 1 1 A 60 60 GLN N N 60 119.027 118.222 0.805 2
1 390 . 1 1 A 61 61 SER H H 61 6.630 7.368 -0.738 2
1 391 . 1 1 A 61 61 SER HA H 61 3.880 4.393 -0.513 2
1 394 . 1 1 A 61 61 SER N N 61 114.913 115.587 -0.674 2
1 395 . 1 1 A 62 62 ALA H H 62 9.027 8.695 0.332 2
1 396 . 1 1 A 62 62 ALA HA H 62 4.435 4.431 0.005 2
1 400 . 1 1 A 62 62 ALA N N 62 129.628 127.142 2.486 2
1 401 . 1 1 A 63 63 ASP H H 63 8.080 7.917 0.163 2
1 402 . 1 1 A 63 63 ASP HA H 63 4.895 4.817 0.078 2
1 405 . 1 1 A 63 63 ASP N N 63 121.506 116.088 5.418 2
1 406 . 1 1 A 64 64 CYS H H 64 8.924 8.603 0.321 2
1 407 . 1 1 A 64 64 CYS HA H 64 5.403 5.152 0.251 2
1 410 . 1 1 A 64 64 CYS N N 64 125.936 118.996 6.940 2
1 411 . 1 1 A 65 65 PRO HA H 65 4.375 4.602 -0.227 2
1 418 . 1 1 A 66 66 ARG H H 66 8.203 8.468 -0.265 2
1 419 . 1 1 A 66 66 ARG HA H 66 4.362 4.688 -0.326 2
1 426 . 1 1 A 66 66 ARG N N 66 123.580 119.724 3.856 2
1 427 . 1 1 A 67 67 TYR H H 67 8.650 8.501 0.149 2
1 428 . 1 1 A 67 67 TYR HA H 67 4.459 4.703 -0.244 2
1 435 . 1 1 A 67 67 TYR N N 67 128.872 119.960 8.912 2
stop_
save_