data_15618_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15618
_Entry.PDB_ID 2JZD
_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 6
_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 1 . 1 1 1 A 2 2 SER HA H -3 4.607 4.743 -0.136 1
1 4 . 1 1 1 A 2 2 SER C C -3 174.489 174.370 0.119 1
1 5 . 1 1 1 A 2 2 SER CA C -3 56.994 58.660 -1.666 1
1 6 . 1 1 1 A 2 2 SER CB C -3 64.641 65.780 -1.139 1
1 7 . 1 1 1 A 2 2 SER N N -3 115.970 118.666 -2.696 1
1 8 . 1 1 1 A 3 3 HIS H H -2 8.138 7.909 0.229 1
1 9 . 1 1 1 A 3 3 HIS HA H -2 4.558 4.614 -0.056 1
1 13 . 1 1 1 A 3 3 HIS C C -2 176.502 175.233 1.269 1
1 14 . 1 1 1 A 3 3 HIS CA C -2 56.164 56.590 -0.426 1
1 15 . 1 1 1 A 3 3 HIS CB C -2 30.643 30.480 0.163 1
1 17 . 1 1 1 A 3 3 HIS N N -2 122.640 119.484 3.156 1
1 39 . 1 1 1 A 6 6 THR H H 528 7.755 8.181 -0.426 1
1 40 . 1 1 1 A 6 6 THR HA H 528 5.155 4.576 0.579 1
1 45 . 1 1 1 A 6 6 THR C C 528 174.544 174.189 0.355 1
1 46 . 1 1 1 A 6 6 THR CA C 528 60.657 62.832 -2.175 1
1 47 . 1 1 1 A 6 6 THR CB C 528 68.218 69.763 -1.545 1
1 49 . 1 1 1 A 6 6 THR N N 528 118.293 114.923 3.370 1
1 50 . 1 1 1 A 7 7 VAL H H 529 8.966 8.425 0.541 1
1 51 . 1 1 1 A 7 7 VAL HA H 529 4.240 4.824 -0.584 1
1 59 . 1 1 1 A 7 7 VAL C C 529 174.012 174.434 -0.422 1
1 60 . 1 1 1 A 7 7 VAL CA C 529 58.309 58.724 -0.415 1
1 61 . 1 1 1 A 7 7 VAL CB C 529 35.661 35.696 -0.035 1
1 64 . 1 1 1 A 7 7 VAL N N 529 121.381 118.451 2.930 1
1 65 . 1 1 1 A 8 8 SER H H 530 8.193 8.805 -0.612 1
1 66 . 1 1 1 A 8 8 SER HA H 530 4.825 5.103 -0.278 1
1 69 . 1 1 1 A 8 8 SER C C 530 172.908 173.147 -0.239 1
1 70 . 1 1 1 A 8 8 SER CA C 530 55.790 56.234 -0.444 1
1 71 . 1 1 1 A 8 8 SER CB C 530 62.800 63.564 -0.764 1
1 72 . 1 1 1 A 8 8 SER N N 530 113.044 115.938 -2.894 1
1 73 . 1 1 1 A 9 9 TRP H H 531 7.595 8.828 -1.233 1
1 74 . 1 1 1 A 9 9 TRP HA H 531 5.353 5.137 0.216 1
1 83 . 1 1 1 A 9 9 TRP C C 531 177.031 175.732 1.299 1
1 84 . 1 1 1 A 9 9 TRP CA C 531 51.902 56.538 -4.636 1
1 85 . 1 1 1 A 9 9 TRP CB C 531 32.848 32.603 0.245 1
1 91 . 1 1 1 A 9 9 TRP N N 531 124.627 126.184 -1.557 1
1 93 . 1 1 1 A 10 10 ASN H H 532 9.312 8.642 0.670 1
1 94 . 1 1 1 A 10 10 ASN HA H 532 4.601 5.185 -0.584 1
1 99 . 1 1 1 A 10 10 ASN C C 532 175.214 175.907 -0.693 1
1 100 . 1 1 1 A 10 10 ASN CA C 532 51.428 50.886 0.542 1
1 101 . 1 1 1 A 10 10 ASN CB C 532 38.140 40.128 -1.988 1
1 102 . 1 1 1 A 10 10 ASN N N 532 121.842 119.148 2.694 1
1 104 . 1 1 1 A 11 11 LEU H H 533 8.503 8.760 -0.257 1
1 105 . 1 1 1 A 11 11 LEU HA H 533 4.086 4.094 -0.008 1
1 115 . 1 1 1 A 11 11 LEU C C 533 178.309 178.737 -0.428 1
1 116 . 1 1 1 A 11 11 LEU CA C 533 58.491 58.454 0.037 1
1 117 . 1 1 1 A 11 11 LEU CB C 533 41.525 41.324 0.201 1
1 121 . 1 1 1 A 11 11 LEU N N 533 119.723 120.643 -0.920 1
1 122 . 1 1 1 A 12 12 ARG H H 534 8.057 8.499 -0.442 1
1 123 . 1 1 1 A 12 12 ARG HA H 534 3.840 3.988 -0.148 1
1 130 . 1 1 1 A 12 12 ARG C C 534 179.597 178.980 0.617 1
1 131 . 1 1 1 A 12 12 ARG CA C 534 59.873 59.955 -0.082 1
1 132 . 1 1 1 A 12 12 ARG CB C 534 29.076 30.118 -1.042 1
1 135 . 1 1 1 A 12 12 ARG N N 534 117.711 118.968 -1.257 1
1 136 . 1 1 1 A 13 13 GLU H H 535 8.342 8.368 -0.026 1
1 137 . 1 1 1 A 13 13 GLU HA H 535 3.724 3.933 -0.209 1
1 142 . 1 1 1 A 13 13 GLU C C 535 179.948 179.544 0.404 1
1 143 . 1 1 1 A 13 13 GLU CA C 535 58.753 59.556 -0.803 1
1 144 . 1 1 1 A 13 13 GLU CB C 535 29.402 29.372 0.030 1
1 146 . 1 1 1 A 13 13 GLU N N 535 121.501 119.756 1.745 1
1 147 . 1 1 1 A 14 14 MET H H 536 8.684 8.122 0.562 1
1 148 . 1 1 1 A 14 14 MET HA H 536 3.945 4.393 -0.448 1
1 156 . 1 1 1 A 14 14 MET C C 536 177.364 178.857 -1.493 1
1 157 . 1 1 1 A 14 14 MET CA C 536 60.550 58.712 1.838 1
1 158 . 1 1 1 A 14 14 MET CB C 536 34.412 32.904 1.508 1
1 161 . 1 1 1 A 14 14 MET N N 536 120.565 120.087 0.478 1
1 162 . 1 1 1 A 15 15 LEU H H 537 8.731 8.584 0.147 1
1 163 . 1 1 1 A 15 15 LEU HA H 537 3.970 4.163 -0.193 1
1 173 . 1 1 1 A 15 15 LEU C C 537 178.544 178.787 -0.243 1
1 174 . 1 1 1 A 15 15 LEU CA C 537 57.723 58.265 -0.542 1
1 175 . 1 1 1 A 15 15 LEU CB C 537 41.396 41.766 -0.370 1
1 179 . 1 1 1 A 15 15 LEU N N 537 118.710 119.982 -1.272 1
1 180 . 1 1 1 A 16 16 ALA H H 538 7.816 8.446 -0.630 1
1 181 . 1 1 1 A 16 16 ALA HA H 538 4.026 4.114 -0.088 1
1 185 . 1 1 1 A 16 16 ALA C C 538 180.374 179.487 0.887 1
1 186 . 1 1 1 A 16 16 ALA CA C 538 54.734 55.216 -0.482 1
1 187 . 1 1 1 A 16 16 ALA CB C 538 17.670 18.426 -0.756 1
1 188 . 1 1 1 A 16 16 ALA N N 538 120.155 121.595 -1.440 1
1 189 . 1 1 1 A 17 17 HIS H H 539 7.715 8.311 -0.596 1
1 190 . 1 1 1 A 17 17 HIS HA H 539 4.180 4.131 0.049 1
1 194 . 1 1 1 A 17 17 HIS C C 539 179.167 176.434 2.733 1
1 195 . 1 1 1 A 17 17 HIS CA C 539 59.392 59.737 -0.345 1
1 196 . 1 1 1 A 17 17 HIS CB C 539 29.094 29.683 -0.589 1
1 198 . 1 1 1 A 17 17 HIS N N 539 117.446 118.219 -0.773 1
1 199 . 1 1 1 A 18 18 ALA H H 540 8.995 8.454 0.541 1
1 200 . 1 1 1 A 18 18 ALA HA H 540 3.656 3.819 -0.163 1
1 204 . 1 1 1 A 18 18 ALA C C 540 180.803 179.065 1.738 1
1 205 . 1 1 1 A 18 18 ALA CA C 540 55.762 55.314 0.448 1
1 206 . 1 1 1 A 18 18 ALA CB C 540 18.380 17.987 0.393 1
1 207 . 1 1 1 A 18 18 ALA N N 540 124.222 121.041 3.181 1
1 208 . 1 1 1 A 19 19 GLU H H 541 8.840 8.520 0.320 1
1 209 . 1 1 1 A 19 19 GLU HA H 541 3.695 3.908 -0.213 1
1 214 . 1 1 1 A 19 19 GLU C C 541 178.479 178.746 -0.267 1
1 215 . 1 1 1 A 19 19 GLU CA C 541 59.695 59.822 -0.127 1
1 216 . 1 1 1 A 19 19 GLU CB C 541 29.740 28.938 0.802 1
1 218 . 1 1 1 A 19 19 GLU N N 541 121.086 117.700 3.386 1
1 219 . 1 1 1 A 20 20 GLU H H 542 7.649 8.177 -0.528 1
1 220 . 1 1 1 A 20 20 GLU HA H 542 3.980 4.037 -0.057 1
1 225 . 1 1 1 A 20 20 GLU C C 542 178.212 178.948 -0.736 1
1 226 . 1 1 1 A 20 20 GLU CA C 542 58.593 59.189 -0.596 1
1 227 . 1 1 1 A 20 20 GLU CB C 542 30.293 29.560 0.733 1
1 229 . 1 1 1 A 20 20 GLU N N 542 117.027 119.171 -2.144 1
1 230 . 1 1 1 A 21 21 THR H H 543 7.588 8.113 -0.525 1
1 231 . 1 1 1 A 21 21 THR HA H 543 4.105 4.137 -0.032 1
1 236 . 1 1 1 A 21 21 THR C C 543 175.320 174.790 0.530 1
1 237 . 1 1 1 A 21 21 THR CA C 543 62.110 62.647 -0.537 1
1 238 . 1 1 1 A 21 21 THR CB C 543 70.747 69.448 1.299 1
1 240 . 1 1 1 A 21 21 THR N N 543 105.058 111.400 -6.342 1
1 241 . 1 1 1 A 22 22 ARG H H 544 7.678 7.597 0.081 1
1 242 . 1 1 1 A 22 22 ARG HA H 544 3.925 3.861 0.064 1
1 249 . 1 1 1 A 22 22 ARG C C 544 175.207 175.319 -0.112 1
1 250 . 1 1 1 A 22 22 ARG CA C 544 55.996 57.493 -1.497 1
1 251 . 1 1 1 A 22 22 ARG CB C 544 24.959 27.573 -2.614 1
1 254 . 1 1 1 A 22 22 ARG N N 544 116.694 116.609 0.085 1
1 255 . 1 1 1 A 23 23 LYS H H 545 6.931 7.367 -0.436 1
1 256 . 1 1 1 A 23 23 LYS HA H 545 4.169 4.275 -0.106 1
1 265 . 1 1 1 A 23 23 LYS C C 545 174.855 176.193 -1.338 1
1 266 . 1 1 1 A 23 23 LYS CA C 545 56.339 56.704 -0.365 1
1 267 . 1 1 1 A 23 23 LYS CB C 545 36.104 33.772 2.332 1
1 271 . 1 1 1 A 23 23 LYS N N 545 117.744 118.843 -1.099 1
1 272 . 1 1 1 A 24 24 LEU H H 546 7.898 8.173 -0.275 1
1 273 . 1 1 1 A 24 24 LEU HA H 546 4.487 4.645 -0.158 1
1 283 . 1 1 1 A 24 24 LEU C C 546 175.730 175.272 0.458 1
1 284 . 1 1 1 A 24 24 LEU CA C 546 54.171 55.455 -1.284 1
1 285 . 1 1 1 A 24 24 LEU CB C 546 43.228 42.815 0.413 1
1 289 . 1 1 1 A 24 24 LEU N N 546 122.692 123.633 -0.941 1
1 290 . 1 1 1 A 25 25 MET H H 547 8.767 8.721 0.046 1
1 291 . 1 1 1 A 25 25 MET HA H 547 5.728 5.086 0.642 1
1 299 . 1 1 1 A 25 25 MET CA C 547 51.900 52.772 -0.872 1
1 300 . 1 1 1 A 25 25 MET CB C 547 34.876 35.310 -0.434 1
1 303 . 1 1 1 A 25 25 MET N N 547 126.346 125.313 1.033 1
1 304 . 1 1 1 A 26 26 PRO HA H 548 5.994 5.332 0.662 1
1 311 . 1 1 1 A 26 26 PRO C C 548 176.241 176.258 -0.017 1
1 312 . 1 1 1 A 26 26 PRO CA C 548 61.285 62.664 -1.379 1
1 313 . 1 1 1 A 26 26 PRO CB C 548 32.260 32.826 -0.566 1
1 316 . 1 1 1 A 27 27 ILE H H 549 9.054 8.879 0.175 1
1 317 . 1 1 1 A 27 27 ILE HA H 549 4.284 4.633 -0.349 1
1 327 . 1 1 1 A 27 27 ILE C C 549 173.407 175.094 -1.687 1
1 328 . 1 1 1 A 27 27 ILE CA C 549 57.503 60.030 -2.527 1
1 329 . 1 1 1 A 27 27 ILE CB C 549 41.581 41.348 0.233 1
1 333 . 1 1 1 A 27 27 ILE N N 549 126.281 121.789 4.492 1
1 334 . 1 1 1 A 28 28 CYS H H 550 8.459 8.515 -0.056 1
1 335 . 1 1 1 A 28 28 CYS HA H 550 3.704 3.630 0.074 1
1 339 . 1 1 1 A 28 28 CYS C C 550 174.180 175.515 -1.335 1
1 340 . 1 1 1 A 28 28 CYS CA C 550 56.873 58.652 -1.779 1
1 341 . 1 1 1 A 28 28 CYS CB C 550 27.537 27.805 -0.268 1
1 342 . 1 1 1 A 28 28 CYS N N 550 125.844 125.851 -0.007 1
1 343 . 1 1 1 A 29 29 MET H H 551 8.782 8.360 0.422 1
1 344 . 1 1 1 A 29 29 MET HA H 551 4.637 3.936 0.701 1
1 352 . 1 1 1 A 29 29 MET C C 551 174.613 177.675 -3.062 1
1 353 . 1 1 1 A 29 29 MET CA C 551 56.871 58.112 -1.241 1
1 354 . 1 1 1 A 29 29 MET CB C 551 34.394 31.761 2.633 1
1 357 . 1 1 1 A 29 29 MET N N 551 127.467 126.426 1.041 1
1 358 . 1 1 1 A 30 30 ASP H H 552 7.308 8.123 -0.815 1
1 359 . 1 1 1 A 30 30 ASP HA H 552 4.562 4.259 0.303 1
1 362 . 1 1 1 A 30 30 ASP C C 552 175.386 176.992 -1.606 1
1 363 . 1 1 1 A 30 30 ASP CA C 552 54.371 56.880 -2.509 1
1 364 . 1 1 1 A 30 30 ASP CB C 552 41.751 41.029 0.722 1
1 365 . 1 1 1 A 30 30 ASP N N 552 117.209 119.822 -2.613 1
1 366 . 1 1 1 A 31 31 VAL H H 553 7.257 7.550 -0.293 1
1 367 . 1 1 1 A 31 31 VAL HA H 553 4.057 4.220 -0.163 1
1 375 . 1 1 1 A 31 31 VAL C C 553 175.729 175.845 -0.116 1
1 376 . 1 1 1 A 31 31 VAL CA C 553 61.834 62.135 -0.301 1
1 377 . 1 1 1 A 31 31 VAL CB C 553 30.034 29.562 0.472 1
1 380 . 1 1 1 A 31 31 VAL N N 553 120.645 117.757 2.888 1
1 381 . 1 1 1 A 32 32 ARG H H 554 8.412 8.387 0.025 1
1 382 . 1 1 1 A 32 32 ARG HA H 554 3.794 3.991 -0.197 1
1 389 . 1 1 1 A 32 32 ARG C C 554 178.819 178.535 0.284 1
1 390 . 1 1 1 A 32 32 ARG CA C 554 59.725 59.046 0.679 1
1 391 . 1 1 1 A 32 32 ARG CB C 554 29.537 29.780 -0.243 1
1 394 . 1 1 1 A 32 32 ARG N N 554 130.554 127.023 3.531 1
1 395 . 1 1 1 A 33 33 ALA H H 555 9.094 8.287 0.807 1
1 396 . 1 1 1 A 33 33 ALA HA H 555 4.081 4.084 -0.003 1
1 400 . 1 1 1 A 33 33 ALA C C 555 180.716 180.643 0.073 1
1 401 . 1 1 1 A 33 33 ALA CA C 555 55.002 55.016 -0.014 1
1 402 . 1 1 1 A 33 33 ALA CB C 555 18.462 18.250 0.212 1
1 403 . 1 1 1 A 33 33 ALA N N 555 119.862 121.406 -1.544 1
1 404 . 1 1 1 A 34 34 ILE H H 556 6.620 7.903 -1.283 1
1 405 . 1 1 1 A 34 34 ILE HA H 556 3.745 3.787 -0.042 1
1 415 . 1 1 1 A 34 34 ILE C C 556 177.540 177.894 -0.354 1
1 416 . 1 1 1 A 34 34 ILE CA C 556 64.101 64.638 -0.537 1
1 417 . 1 1 1 A 34 34 ILE CB C 556 38.397 37.546 0.851 1
1 421 . 1 1 1 A 34 34 ILE N N 556 116.216 118.988 -2.772 1
1 422 . 1 1 1 A 35 35 MET H H 557 7.619 8.141 -0.522 1
1 423 . 1 1 1 A 35 35 MET HA H 557 4.249 4.065 0.184 1
1 431 . 1 1 1 A 35 35 MET C C 557 178.737 178.595 0.142 1
1 432 . 1 1 1 A 35 35 MET CA C 557 56.113 58.604 -2.491 1
1 433 . 1 1 1 A 35 35 MET CB C 557 29.490 32.205 -2.715 1
1 436 . 1 1 1 A 35 35 MET N N 557 118.017 118.506 -0.489 1
1 437 . 1 1 1 A 36 36 ALA H H 558 8.410 8.168 0.242 1
1 438 . 1 1 1 A 36 36 ALA HA H 558 4.084 4.027 0.057 1
1 442 . 1 1 1 A 36 36 ALA C C 558 180.632 179.959 0.673 1
1 443 . 1 1 1 A 36 36 ALA CA C 558 55.024 55.068 -0.044 1
1 444 . 1 1 1 A 36 36 ALA CB C 558 17.698 18.578 -0.880 1
1 445 . 1 1 1 A 36 36 ALA N N 558 121.592 121.719 -0.127 1
1 446 . 1 1 1 A 37 37 THR H H 559 7.294 7.671 -0.377 1
1 447 . 1 1 1 A 37 37 THR HA H 559 3.858 3.896 -0.038 1
1 452 . 1 1 1 A 37 37 THR C C 559 176.419 176.840 -0.421 1
1 453 . 1 1 1 A 37 37 THR CA C 559 66.590 67.401 -0.811 1
1 454 . 1 1 1 A 37 37 THR CB C 559 68.001 68.868 -0.867 1
1 456 . 1 1 1 A 37 37 THR N N 559 115.835 114.178 1.657 1
1 457 . 1 1 1 A 38 38 ILE H H 560 8.109 8.117 -0.008 1
1 458 . 1 1 1 A 38 38 ILE HA H 560 3.698 3.766 -0.068 1
1 468 . 1 1 1 A 38 38 ILE C C 560 176.934 177.771 -0.837 1
1 469 . 1 1 1 A 38 38 ILE CA C 560 65.952 65.356 0.596 1
1 470 . 1 1 1 A 38 38 ILE CB C 560 38.252 37.432 0.820 1
1 474 . 1 1 1 A 38 38 ILE N N 560 121.886 121.309 0.577 1
1 475 . 1 1 1 A 39 39 GLN H H 561 8.425 8.807 -0.382 1
1 476 . 1 1 1 A 39 39 GLN HA H 561 3.809 4.062 -0.253 1
1 483 . 1 1 1 A 39 39 GLN C C 561 177.126 178.873 -1.747 1
1 484 . 1 1 1 A 39 39 GLN CA C 561 58.751 59.231 -0.480 1
1 485 . 1 1 1 A 39 39 GLN CB C 561 29.255 28.192 1.063 1
1 487 . 1 1 1 A 39 39 GLN N N 561 116.211 118.121 -1.910 1
1 489 . 1 1 1 A 40 40 ARG H H 562 7.334 8.138 -0.804 1
1 490 . 1 1 1 A 40 40 ARG HA H 562 4.092 4.094 -0.002 1
1 497 . 1 1 1 A 40 40 ARG C C 562 177.186 178.722 -1.536 1
1 498 . 1 1 1 A 40 40 ARG CA C 562 57.837 59.477 -1.640 1
1 499 . 1 1 1 A 40 40 ARG CB C 562 30.668 30.178 0.490 1
1 502 . 1 1 1 A 40 40 ARG N N 562 116.464 120.152 -3.688 1
1 503 . 1 1 1 A 41 41 LYS H H 563 7.802 7.552 0.250 1
1 504 . 1 1 1 A 41 41 LYS HA H 563 3.926 4.000 -0.074 1
1 513 . 1 1 1 A 41 41 LYS C C 563 176.735 176.857 -0.122 1
1 514 . 1 1 1 A 41 41 LYS CA C 563 57.866 58.785 -0.919 1
1 515 . 1 1 1 A 41 41 LYS CB C 563 33.314 32.416 0.898 1
1 519 . 1 1 1 A 41 41 LYS N N 563 118.658 119.641 -0.983 1
1 520 . 1 1 1 A 42 42 TYR H H 564 8.208 8.591 -0.383 1
1 521 . 1 1 1 A 42 42 TYR HA H 564 4.786 4.967 -0.181 1
1 528 . 1 1 1 A 42 42 TYR C C 564 174.346 175.905 -1.559 1
1 529 . 1 1 1 A 42 42 TYR CA C 564 55.497 56.641 -1.144 1
1 530 . 1 1 1 A 42 42 TYR CB C 564 36.075 36.520 -0.445 1
1 533 . 1 1 1 A 42 42 TYR N N 564 121.157 118.448 2.709 1
1 534 . 1 1 1 A 43 43 LYS H H 565 7.212 7.906 -0.694 1
1 535 . 1 1 1 A 43 43 LYS HA H 565 4.081 4.229 -0.148 1
1 544 . 1 1 1 A 43 43 LYS C C 565 179.082 178.792 0.290 1
1 545 . 1 1 1 A 43 43 LYS CA C 565 58.075 59.519 -1.444 1
1 546 . 1 1 1 A 43 43 LYS CB C 565 32.157 32.338 -0.181 1
1 550 . 1 1 1 A 43 43 LYS N N 565 119.412 124.416 -5.004 1
1 551 . 1 1 1 A 44 44 GLY H H 566 9.179 8.015 1.164 1
1 552 . 1 1 1 A 44 44 GLY HA2 H 566 3.607 3.925 -0.318 1
1 553 . 1 1 1 A 44 44 GLY HA3 H 566 4.252 3.969 0.283 1
1 554 . 1 1 1 A 44 44 GLY C C 566 173.990 174.098 -0.108 1
1 555 . 1 1 1 A 44 44 GLY CA C 566 44.860 46.015 -1.155 1
1 556 . 1 1 1 A 44 44 GLY N N 566 114.958 106.573 8.385 1
1 557 . 1 1 1 A 45 45 ILE H H 567 7.604 7.059 0.545 1
1 558 . 1 1 1 A 45 45 ILE HA H 567 2.533 3.952 -1.419 1
1 568 . 1 1 1 A 45 45 ILE C C 567 172.893 175.557 -2.664 1
1 569 . 1 1 1 A 45 45 ILE CA C 567 61.754 60.823 0.931 1
1 570 . 1 1 1 A 45 45 ILE CB C 567 38.302 38.307 -0.005 1
1 574 . 1 1 1 A 45 45 ILE N N 567 122.496 121.486 1.010 1
1 575 . 1 1 1 A 46 46 LYS H H 568 7.733 8.430 -0.697 1
1 576 . 1 1 1 A 46 46 LYS HA H 568 4.307 4.382 -0.075 1
1 585 . 1 1 1 A 46 46 LYS C C 568 174.772 176.910 -2.138 1
1 586 . 1 1 1 A 46 46 LYS CA C 568 54.069 55.966 -1.897 1
1 587 . 1 1 1 A 46 46 LYS CB C 568 31.741 33.105 -1.364 1
1 591 . 1 1 1 A 46 46 LYS N N 568 128.712 128.060 0.652 1
1 592 . 1 1 1 A 47 47 ILE H H 569 8.081 8.202 -0.121 1
1 593 . 1 1 1 A 47 47 ILE HA H 569 3.166 3.638 -0.472 1
1 603 . 1 1 1 A 47 47 ILE CA C 569 61.564 62.234 -0.670 1
1 604 . 1 1 1 A 47 47 ILE CB C 569 36.718 37.802 -1.084 1
1 608 . 1 1 1 A 47 47 ILE N N 569 124.424 123.545 0.879 1
1 609 . 1 1 1 A 48 48 GLN H H 570 6.700 8.818 -2.118 1
1 610 . 1 1 1 A 48 48 GLN HA H 570 4.205 4.806 -0.601 1
1 617 . 1 1 1 A 48 48 GLN CA C 570 53.129 53.965 -0.836 1
1 618 . 1 1 1 A 48 48 GLN CB C 570 31.211 32.420 -1.209 1
1 620 . 1 1 1 A 48 48 GLN N N 570 122.748 126.341 -3.593 1
1 622 . 1 1 1 A 49 49 GLU H H 571 8.218 8.722 -0.504 1
1 623 . 1 1 1 A 49 49 GLU HA H 571 3.727 4.261 -0.534 1
1 628 . 1 1 1 A 49 49 GLU CA C 571 57.976 58.039 -0.063 1
1 629 . 1 1 1 A 49 49 GLU CB C 571 30.954 29.262 1.692 1
1 631 . 1 1 1 A 49 49 GLU N N 571 116.531 121.831 -5.300 1
1 632 . 1 1 1 A 50 50 GLY H H 572 8.967 8.441 0.526 1
1 633 . 1 1 1 A 50 50 GLY HA2 H 572 2.810 3.976 -1.166 1
1 634 . 1 1 1 A 50 50 GLY HA3 H 572 4.198 4.187 0.011 1
1 635 . 1 1 1 A 50 50 GLY CA C 572 43.607 43.815 -0.208 1
1 636 . 1 1 1 A 50 50 GLY N N 572 111.469 109.567 1.902 1
1 637 . 1 1 1 A 51 51 ILE H H 573 8.410 8.798 -0.388 1
1 638 . 1 1 1 A 51 51 ILE HA H 573 4.916 4.386 0.530 1
1 648 . 1 1 1 A 51 51 ILE CA C 573 61.137 62.180 -1.043 1
1 649 . 1 1 1 A 51 51 ILE CB C 573 38.165 37.512 0.653 1
1 653 . 1 1 1 A 51 51 ILE N N 573 120.591 122.106 -1.515 1
1 654 . 1 1 1 A 52 52 VAL H H 574 8.900 8.687 0.213 1
1 655 . 1 1 1 A 52 52 VAL HA H 574 4.073 4.745 -0.672 1
1 663 . 1 1 1 A 52 52 VAL CA C 574 62.516 61.947 0.569 1
1 664 . 1 1 1 A 52 52 VAL CB C 574 35.957 33.446 2.511 1
1 667 . 1 1 1 A 52 52 VAL N N 574 131.435 129.212 2.223 1
1 668 . 1 1 1 A 53 53 ASP H H 575 8.731 9.199 -0.468 1
1 669 . 1 1 1 A 53 53 ASP HA H 575 4.953 4.851 0.102 1
1 672 . 1 1 1 A 53 53 ASP CA C 575 52.137 53.609 -1.472 1
1 673 . 1 1 1 A 53 53 ASP CB C 575 40.659 40.987 -0.328 1
1 674 . 1 1 1 A 53 53 ASP N N 575 126.463 129.229 -2.766 1
1 675 . 1 1 1 A 54 54 TYR H H 576 8.639 8.773 -0.134 1
1 676 . 1 1 1 A 54 54 TYR HA H 576 4.407 4.896 -0.489 1
1 683 . 1 1 1 A 54 54 TYR CA C 576 57.833 57.728 0.105 1
1 684 . 1 1 1 A 54 54 TYR CB C 576 38.634 41.027 -2.393 1
1 687 . 1 1 1 A 54 54 TYR N N 576 131.097 127.027 4.070 1
1 688 . 1 1 1 A 55 55 GLY H H 577 8.388 8.958 -0.570 1
1 689 . 1 1 1 A 55 55 GLY HA2 H 577 3.056 3.838 -0.782 1
1 690 . 1 1 1 A 55 55 GLY HA3 H 577 4.307 3.965 0.342 1
1 691 . 1 1 1 A 55 55 GLY CA C 577 46.347 46.138 0.209 1
1 692 . 1 1 1 A 55 55 GLY N N 577 115.719 116.962 -1.243 1
1 693 . 1 1 1 A 56 56 VAL H H 578 7.143 7.708 -0.565 1
1 694 . 1 1 1 A 56 56 VAL HA H 578 3.410 4.175 -0.765 1
1 702 . 1 1 1 A 56 56 VAL CA C 578 60.335 60.442 -0.107 1
1 703 . 1 1 1 A 56 56 VAL CB C 578 35.027 32.994 2.033 1
1 706 . 1 1 1 A 56 56 VAL N N 578 124.853 120.260 4.593 1
1 707 . 1 1 1 A 57 57 ARG H H 579 8.091 8.295 -0.204 1
1 708 . 1 1 1 A 57 57 ARG HA H 579 4.292 4.368 -0.076 1
1 715 . 1 1 1 A 57 57 ARG CA C 579 55.039 54.899 0.140 1
1 716 . 1 1 1 A 57 57 ARG CB C 579 29.224 28.884 0.340 1
1 719 . 1 1 1 A 57 57 ARG N N 579 124.754 126.900 -2.146 1
1 720 . 1 1 1 A 58 58 PHE H H 580 8.499 8.517 -0.018 1
1 721 . 1 1 1 A 58 58 PHE HA H 580 4.647 4.782 -0.135 1
1 729 . 1 1 1 A 58 58 PHE CA C 580 57.563 58.248 -0.685 1
1 730 . 1 1 1 A 58 58 PHE CB C 580 42.026 39.656 2.370 1
1 734 . 1 1 1 A 58 58 PHE N N 580 124.105 125.447 -1.342 1
1 735 . 1 1 1 A 59 59 PHE H H 581 7.683 8.670 -0.987 1
1 736 . 1 1 1 A 59 59 PHE HA H 581 4.689 4.968 -0.279 1
1 743 . 1 1 1 A 59 59 PHE CA C 581 56.662 56.783 -0.121 1
1 744 . 1 1 1 A 59 59 PHE CB C 581 41.024 40.142 0.882 1
1 747 . 1 1 1 A 59 59 PHE N N 581 119.707 122.419 -2.712 1
1 748 . 1 1 1 A 60 60 PHE H H 582 8.898 8.203 0.695 1
1 749 . 1 1 1 A 60 60 PHE HA H 582 5.563 4.989 0.574 1
1 757 . 1 1 1 A 60 60 PHE CA C 582 57.615 58.394 -0.779 1
1 758 . 1 1 1 A 60 60 PHE CB C 582 39.539 40.309 -0.770 1
1 762 . 1 1 1 A 60 60 PHE N N 582 127.157 126.540 0.617 1
1 763 . 1 1 1 A 61 61 TYR H H 583 8.441 8.813 -0.372 1
1 764 . 1 1 1 A 61 61 TYR HA H 583 5.301 5.279 0.022 1
1 771 . 1 1 1 A 61 61 TYR CA C 583 54.556 55.294 -0.738 1
1 772 . 1 1 1 A 61 61 TYR CB C 583 41.444 41.502 -0.058 1
1 775 . 1 1 1 A 61 61 TYR N N 583 119.072 119.021 0.051 1
1 776 . 1 1 1 A 62 62 THR H H 584 9.444 8.708 0.736 1
1 777 . 1 1 1 A 62 62 THR HA H 584 4.680 4.852 -0.172 1
1 782 . 1 1 1 A 62 62 THR CA C 584 59.784 60.182 -0.398 1
1 783 . 1 1 1 A 62 62 THR CB C 584 71.274 70.173 1.101 1
1 785 . 1 1 1 A 62 62 THR N N 584 113.469 114.531 -1.062 1
1 786 . 1 1 1 A 63 63 SER H H 585 9.092 9.004 0.088 1
1 787 . 1 1 1 A 63 63 SER HA H 585 4.685 4.291 0.394 1
1 790 . 1 1 1 A 63 63 SER CA C 585 59.665 60.931 -1.266 1
1 791 . 1 1 1 A 63 63 SER CB C 585 62.835 63.086 -0.251 1
1 792 . 1 1 1 A 63 63 SER N N 585 114.155 118.902 -4.747 1
1 793 . 1 1 1 A 64 64 LYS H H 586 7.484 7.835 -0.351 1
1 794 . 1 1 1 A 64 64 LYS HA H 586 4.074 4.267 -0.193 1
1 803 . 1 1 1 A 64 64 LYS CA C 586 55.960 58.965 -3.005 1
1 804 . 1 1 1 A 64 64 LYS CB C 586 32.662 32.792 -0.130 1
1 808 . 1 1 1 A 64 64 LYS N N 586 118.230 119.298 -1.068 1
1 809 . 1 1 1 A 65 65 GLU H H 587 7.194 7.550 -0.356 1
1 810 . 1 1 1 A 65 65 GLU HA H 587 4.584 4.552 0.032 1
1 815 . 1 1 1 A 65 65 GLU CA C 587 53.443 55.091 -1.648 1
1 816 . 1 1 1 A 65 65 GLU CB C 587 30.381 29.250 1.131 1
1 818 . 1 1 1 A 65 65 GLU N N 587 124.837 119.092 5.745 1
1 819 . 1 1 1 A 66 66 PRO HA H 588 4.506 4.574 -0.068 1
1 826 . 1 1 1 A 66 66 PRO CA C 588 62.620 63.246 -0.626 1
1 827 . 1 1 1 A 66 66 PRO CB C 588 32.368 32.452 -0.084 1
1 830 . 1 1 1 A 67 67 VAL H H 589 8.545 8.279 0.266 1
1 831 . 1 1 1 A 67 67 VAL HA H 589 3.136 3.309 -0.173 1
1 839 . 1 1 1 A 67 67 VAL CA C 589 66.588 66.657 -0.069 1
1 840 . 1 1 1 A 67 67 VAL CB C 589 30.979 31.458 -0.479 1
1 843 . 1 1 1 A 67 67 VAL N N 589 123.156 123.144 0.012 1
1 844 . 1 1 1 A 68 68 ALA H H 590 8.700 8.431 0.269 1
1 845 . 1 1 1 A 68 68 ALA HA H 590 3.953 3.965 -0.012 1
1 849 . 1 1 1 A 68 68 ALA CA C 590 54.867 55.585 -0.718 1
1 850 . 1 1 1 A 68 68 ALA CB C 590 18.134 18.527 -0.393 1
1 851 . 1 1 1 A 68 68 ALA N N 590 118.895 122.636 -3.741 1
1 852 . 1 1 1 A 69 69 SER H H 591 6.961 8.019 -1.058 1
1 853 . 1 1 1 A 69 69 SER HA H 591 4.195 4.191 0.004 1
1 856 . 1 1 1 A 69 69 SER CA C 591 60.029 61.545 -1.516 1
1 857 . 1 1 1 A 69 69 SER CB C 591 62.045 63.008 -0.963 1
1 858 . 1 1 1 A 69 69 SER N N 591 111.445 112.301 -0.856 1
1 859 . 1 1 1 A 70 70 ILE H H 592 7.386 7.926 -0.540 1
1 860 . 1 1 1 A 70 70 ILE HA H 592 3.361 3.748 -0.387 1
1 870 . 1 1 1 A 70 70 ILE CA C 592 65.332 64.657 0.675 1
1 871 . 1 1 1 A 70 70 ILE CB C 592 38.427 37.464 0.963 1
1 875 . 1 1 1 A 70 70 ILE N N 592 122.407 120.896 1.511 1
1 876 . 1 1 1 A 71 71 ILE H H 593 8.332 8.177 0.155 1
1 877 . 1 1 1 A 71 71 ILE HA H 593 3.256 3.466 -0.210 1
1 887 . 1 1 1 A 71 71 ILE CA C 593 65.023 64.998 0.025 1
1 888 . 1 1 1 A 71 71 ILE CB C 593 36.662 37.825 -1.163 1
1 892 . 1 1 1 A 71 71 ILE N N 593 117.779 121.738 -3.959 1
1 893 . 1 1 1 A 72 72 THR H H 594 7.834 8.132 -0.298 1
1 894 . 1 1 1 A 72 72 THR HA H 594 3.845 3.918 -0.073 1
1 899 . 1 1 1 A 72 72 THR CA C 594 67.376 66.870 0.506 1
1 900 . 1 1 1 A 72 72 THR CB C 594 68.291 68.743 -0.452 1
1 902 . 1 1 1 A 72 72 THR N N 594 117.154 115.950 1.204 1
1 903 . 1 1 1 A 73 73 LYS H H 595 7.803 8.011 -0.208 1
1 904 . 1 1 1 A 73 73 LYS HA H 595 3.936 4.100 -0.164 1
1 913 . 1 1 1 A 73 73 LYS CA C 595 59.853 58.783 1.070 1
1 914 . 1 1 1 A 73 73 LYS CB C 595 32.531 31.917 0.614 1
1 918 . 1 1 1 A 73 73 LYS N N 595 122.657 119.943 2.714 1
1 919 . 1 1 1 A 74 74 LEU H H 596 8.088 7.937 0.151 1
1 920 . 1 1 1 A 74 74 LEU HA H 596 3.681 3.918 -0.237 1
1 930 . 1 1 1 A 74 74 LEU CA C 596 57.217 56.691 0.526 1
1 931 . 1 1 1 A 74 74 LEU CB C 596 41.122 41.250 -0.128 1
1 935 . 1 1 1 A 74 74 LEU N N 596 119.593 119.085 0.508 1
1 936 . 1 1 1 A 75 75 ASN H H 597 8.949 8.470 0.479 1
1 937 . 1 1 1 A 75 75 ASN HA H 597 4.471 4.354 0.117 1
1 942 . 1 1 1 A 75 75 ASN CA C 597 54.735 56.241 -1.506 1
1 943 . 1 1 1 A 75 75 ASN CB C 597 37.074 37.599 -0.525 1
1 944 . 1 1 1 A 75 75 ASN N N 597 121.103 118.733 2.370 1
1 946 . 1 1 1 A 76 76 SER H H 598 7.927 8.310 -0.383 1
1 947 . 1 1 1 A 76 76 SER HA H 598 4.137 4.146 -0.009 1
1 950 . 1 1 1 A 76 76 SER CA C 598 60.952 61.470 -0.518 1
1 951 . 1 1 1 A 76 76 SER CB C 598 62.516 62.297 0.219 1
1 952 . 1 1 1 A 76 76 SER N N 598 116.716 114.197 2.519 1
1 953 . 1 1 1 A 77 77 LEU H H 599 7.543 7.663 -0.120 1
1 954 . 1 1 1 A 77 77 LEU HA H 599 3.974 4.067 -0.093 1
1 964 . 1 1 1 A 77 77 LEU CA C 599 57.200 56.836 0.364 1
1 965 . 1 1 1 A 77 77 LEU CB C 599 41.749 42.318 -0.569 1
1 969 . 1 1 1 A 77 77 LEU N N 599 121.292 122.095 -0.803 1
1 970 . 1 1 1 A 78 78 ASN H H 600 7.755 8.202 -0.447 1
1 971 . 1 1 1 A 78 78 ASN HA H 600 4.114 4.284 -0.170 1
1 976 . 1 1 1 A 78 78 ASN CA C 600 53.603 54.794 -1.191 1
1 977 . 1 1 1 A 78 78 ASN CB C 600 37.688 37.986 -0.298 1
1 978 . 1 1 1 A 78 78 ASN N N 600 113.272 117.748 -4.476 1
1 980 . 1 1 1 A 79 79 GLU H H 601 8.389 7.902 0.487 1
1 981 . 1 1 1 A 79 79 GLU HA H 601 4.675 4.450 0.225 1
1 986 . 1 1 1 A 79 79 GLU CA C 601 53.418 54.412 -0.994 1
1 987 . 1 1 1 A 79 79 GLU CB C 601 30.704 29.216 1.488 1
1 989 . 1 1 1 A 79 79 GLU N N 601 118.840 119.435 -0.595 1
1 990 . 1 1 1 A 80 80 PRO HA H 602 4.771 5.059 -0.288 1
1 997 . 1 1 1 A 80 80 PRO CA C 602 62.189 62.644 -0.455 1
1 998 . 1 1 1 A 80 80 PRO CB C 602 32.196 32.558 -0.362 1
1 1001 . 1 1 1 A 81 81 LEU H H 603 8.539 8.248 0.291 1
1 1002 . 1 1 1 A 81 81 LEU HA H 603 5.766 5.323 0.443 1
1 1012 . 1 1 1 A 81 81 LEU CA C 603 53.432 53.123 0.309 1
1 1013 . 1 1 1 A 81 81 LEU CB C 603 48.114 46.006 2.108 1
1 1017 . 1 1 1 A 81 81 LEU N N 603 118.455 121.347 -2.892 1
1 1018 . 1 1 1 A 82 82 VAL H H 604 8.322 8.322 0.000 1
1 1019 . 1 1 1 A 82 82 VAL HA H 604 5.110 5.099 0.011 1
1 1027 . 1 1 1 A 82 82 VAL CA C 604 59.609 60.528 -0.919 1
1 1028 . 1 1 1 A 82 82 VAL CB C 604 34.100 35.041 -0.941 1
1 1031 . 1 1 1 A 82 82 VAL N N 604 121.259 120.037 1.222 1
1 1032 . 1 1 1 A 83 83 THR H H 605 8.570 8.676 -0.106 1
1 1033 . 1 1 1 A 83 83 THR HA H 605 5.107 4.825 0.282 1
1 1038 . 1 1 1 A 83 83 THR CA C 605 59.606 60.130 -0.524 1
1 1039 . 1 1 1 A 83 83 THR CB C 605 71.321 70.213 1.108 1
1 1041 . 1 1 1 A 83 83 THR N N 605 117.620 121.179 -3.559 1
1 1042 . 1 1 1 A 84 84 MET H H 606 8.288 8.671 -0.383 1
1 1043 . 1 1 1 A 84 84 MET HA H 606 5.310 4.817 0.493 1
1 1051 . 1 1 1 A 84 84 MET CA C 606 55.491 53.456 2.035 1
1 1052 . 1 1 1 A 84 84 MET CB C 606 31.549 33.782 -2.233 1
1 1055 . 1 1 1 A 84 84 MET N N 606 125.405 120.848 4.557 1
1 1056 . 1 1 1 A 85 85 PRO HA H 607 4.048 4.603 -0.555 1
1 1063 . 1 1 1 A 85 85 PRO CA C 607 63.608 63.091 0.517 1
1 1064 . 1 1 1 A 85 85 PRO CB C 607 31.291 32.136 -0.845 1
1 1067 . 1 1 1 A 86 86 ILE H H 608 8.326 8.765 -0.439 1
1 1068 . 1 1 1 A 86 86 ILE HA H 608 3.423 4.128 -0.705 1
1 1078 . 1 1 1 A 86 86 ILE CA C 608 63.457 64.064 -0.607 1
1 1079 . 1 1 1 A 86 86 ILE CB C 608 35.800 38.824 -3.024 1
1 1083 . 1 1 1 A 86 86 ILE N N 608 133.106 120.539 12.567 1
1 1084 . 1 1 1 A 87 87 GLY H H 609 8.549 7.955 0.594 1
1 1085 . 1 1 1 A 87 87 GLY HA2 H 609 3.448 3.589 -0.141 1
1 1086 . 1 1 1 A 87 87 GLY HA3 H 609 4.101 3.625 0.476 1
1 1087 . 1 1 1 A 87 87 GLY CA C 609 44.556 46.379 -1.823 1
1 1088 . 1 1 1 A 87 87 GLY N N 609 111.653 109.456 2.197 1
1 1089 . 1 1 1 A 88 88 TYR H H 610 7.224 8.450 -1.226 1
1 1090 . 1 1 1 A 88 88 TYR HA H 610 4.437 4.991 -0.554 1
1 1097 . 1 1 1 A 88 88 TYR CA C 610 57.670 56.779 0.891 1
1 1098 . 1 1 1 A 88 88 TYR CB C 610 38.604 39.805 -1.201 1
1 1101 . 1 1 1 A 88 88 TYR N N 610 121.537 125.286 -3.749 1
1 1102 . 1 1 1 A 89 89 VAL H H 611 8.953 7.950 1.003 1
1 1103 . 1 1 1 A 89 89 VAL HA H 611 3.065 3.531 -0.466 1
1 1111 . 1 1 1 A 89 89 VAL CA C 611 70.009 66.542 3.467 1
1 1112 . 1 1 1 A 89 89 VAL CB C 611 30.422 31.423 -1.001 1
1 1115 . 1 1 1 A 89 89 VAL N N 611 128.074 122.012 6.062 1
1 1116 . 1 1 1 A 90 90 THR H H 612 9.348 8.006 1.342 1
1 1117 . 1 1 1 A 90 90 THR HA H 612 3.810 4.072 -0.262 1
1 1122 . 1 1 1 A 90 90 THR CA C 612 64.727 64.347 0.380 1
1 1123 . 1 1 1 A 90 90 THR CB C 612 68.005 68.714 -0.709 1
1 1125 . 1 1 1 A 90 90 THR N N 612 117.972 111.659 6.313 1
1 1126 . 1 1 1 A 91 91 HIS H H 613 7.651 8.163 -0.512 1
1 1127 . 1 1 1 A 91 91 HIS HA H 613 4.685 4.596 0.089 1
1 1131 . 1 1 1 A 91 91 HIS CA C 613 55.419 55.916 -0.497 1
1 1132 . 1 1 1 A 91 91 HIS CB C 613 29.092 30.823 -1.731 1
1 1134 . 1 1 1 A 91 91 HIS N N 613 119.034 118.515 0.519 1
1 1135 . 1 1 1 A 92 92 GLY H H 614 7.655 8.241 -0.586 1
1 1136 . 1 1 1 A 92 92 GLY HA2 H 614 3.665 3.902 -0.237 1
1 1137 . 1 1 1 A 92 92 GLY HA3 H 614 4.095 3.958 0.137 1
1 1138 . 1 1 1 A 92 92 GLY CA C 614 45.035 46.269 -1.234 1
1 1139 . 1 1 1 A 92 92 GLY N N 614 106.031 109.394 -3.363 1
1 1140 . 1 1 1 A 93 93 PHE H H 615 6.716 8.367 -1.651 1
1 1141 . 1 1 1 A 93 93 PHE HA H 615 5.244 4.584 0.660 1
1 1149 . 1 1 1 A 93 93 PHE CA C 615 53.904 58.252 -4.348 1
1 1150 . 1 1 1 A 93 93 PHE CB C 615 38.587 40.374 -1.787 1
1 1154 . 1 1 1 A 93 93 PHE N N 615 116.220 118.821 -2.601 1
1 1155 . 1 1 1 A 94 94 ASN H H 616 9.141 8.705 0.436 1
1 1156 . 1 1 1 A 94 94 ASN HA H 616 4.956 5.285 -0.329 1
1 1161 . 1 1 1 A 94 94 ASN CA C 616 51.278 52.330 -1.052 1
1 1162 . 1 1 1 A 94 94 ASN CB C 616 37.692 39.852 -2.160 1
1 1163 . 1 1 1 A 94 94 ASN N N 616 122.153 118.968 3.185 1
1 1165 . 1 1 1 A 95 95 LEU H H 617 8.684 8.939 -0.255 1
1 1166 . 1 1 1 A 95 95 LEU HA H 617 3.831 4.066 -0.235 1
1 1176 . 1 1 1 A 95 95 LEU CA C 617 58.457 58.270 0.187 1
1 1177 . 1 1 1 A 95 95 LEU CB C 617 41.985 41.492 0.493 1
1 1181 . 1 1 1 A 95 95 LEU N N 617 119.153 121.983 -2.830 1
1 1182 . 1 1 1 A 96 96 GLU H H 618 7.747 8.331 -0.584 1
1 1183 . 1 1 1 A 96 96 GLU HA H 618 2.864 3.535 -0.671 1
1 1188 . 1 1 1 A 96 96 GLU CA C 618 59.402 59.096 0.306 1
1 1189 . 1 1 1 A 96 96 GLU CB C 618 28.323 28.914 -0.591 1
1 1191 . 1 1 1 A 96 96 GLU N N 618 120.199 119.329 0.870 1
1 1192 . 1 1 1 A 97 97 GLU H H 619 8.503 8.015 0.488 1
1 1193 . 1 1 1 A 97 97 GLU HA H 619 3.497 3.940 -0.443 1
1 1198 . 1 1 1 A 97 97 GLU CA C 619 58.251 59.167 -0.916 1
1 1199 . 1 1 1 A 97 97 GLU CB C 619 29.073 29.304 -0.231 1
1 1201 . 1 1 1 A 97 97 GLU N N 619 118.988 117.847 1.141 1
1 1202 . 1 1 1 A 98 98 ALA H H 620 8.311 8.678 -0.367 1
1 1203 . 1 1 1 A 98 98 ALA HA H 620 4.211 4.623 -0.412 1
1 1207 . 1 1 1 A 98 98 ALA CA C 620 54.717 55.532 -0.815 1
1 1208 . 1 1 1 A 98 98 ALA CB C 620 18.635 18.360 0.275 1
1 1209 . 1 1 1 A 98 98 ALA N N 620 121.102 123.359 -2.257 1
1 1210 . 1 1 1 A 99 99 ALA H H 621 8.570 8.162 0.408 1
1 1211 . 1 1 1 A 99 99 ALA HA H 621 3.831 3.975 -0.144 1
1 1215 . 1 1 1 A 99 99 ALA CA C 621 55.004 55.318 -0.314 1
1 1216 . 1 1 1 A 99 99 ALA CB C 621 18.548 17.819 0.729 1
1 1217 . 1 1 1 A 99 99 ALA N N 621 121.431 119.649 1.782 1
1 1218 . 1 1 1 A 100 100 ARG H H 622 7.646 8.234 -0.588 1
1 1219 . 1 1 1 A 100 100 ARG HA H 622 3.636 3.957 -0.321 1
1 1226 . 1 1 1 A 100 100 ARG CA C 622 59.556 59.583 -0.027 1
1 1227 . 1 1 1 A 100 100 ARG CB C 622 29.420 30.219 -0.799 1
1 1230 . 1 1 1 A 100 100 ARG N N 622 114.812 117.180 -2.368 1
1 1231 . 1 1 1 A 101 101 CYS H H 623 7.503 8.451 -0.948 1
1 1232 . 1 1 1 A 101 101 CYS HA H 623 4.081 4.160 -0.079 1
1 1235 . 1 1 1 A 101 101 CYS CA C 623 62.364 62.417 -0.053 1
1 1236 . 1 1 1 A 101 101 CYS CB C 623 26.301 27.420 -1.119 1
1 1237 . 1 1 1 A 101 101 CYS N N 623 118.667 118.432 0.235 1
1 1238 . 1 1 1 A 102 102 MET H H 624 8.332 8.517 -0.185 1
1 1239 . 1 1 1 A 102 102 MET HA H 624 4.165 4.294 -0.129 1
1 1247 . 1 1 1 A 102 102 MET CA C 624 55.808 57.404 -1.596 1
1 1248 . 1 1 1 A 102 102 MET CB C 624 30.500 32.247 -1.747 1
1 1251 . 1 1 1 A 102 102 MET N N 624 119.480 117.698 1.782 1
1 1252 . 1 1 1 A 103 103 ARG H H 625 7.505 7.929 -0.424 1
1 1253 . 1 1 1 A 103 103 ARG HA H 625 4.022 4.200 -0.178 1
1 1260 . 1 1 1 A 103 103 ARG CA C 625 58.658 59.318 -0.660 1
1 1261 . 1 1 1 A 103 103 ARG CB C 625 30.413 29.991 0.422 1
1 1264 . 1 1 1 A 103 103 ARG N N 625 120.614 120.129 0.485 1
1 1265 . 1 1 1 A 104 104 SER H H 626 7.635 7.477 0.158 1
1 1266 . 1 1 1 A 104 104 SER HA H 626 4.278 4.305 -0.027 1
1 1269 . 1 1 1 A 104 104 SER CA C 626 58.925 60.729 -1.804 1
1 1270 . 1 1 1 A 104 104 SER CB C 626 63.785 63.409 0.376 1
1 1271 . 1 1 1 A 104 104 SER N N 626 111.144 113.216 -2.072 1
1 1272 . 1 1 1 A 105 105 LEU H H 627 7.602 7.395 0.207 1
1 1273 . 1 1 1 A 105 105 LEU HA H 627 4.387 4.496 -0.109 1
1 1283 . 1 1 1 A 105 105 LEU CA C 627 55.025 55.632 -0.607 1
1 1284 . 1 1 1 A 105 105 LEU CB C 627 42.360 42.574 -0.214 1
1 1288 . 1 1 1 A 105 105 LEU N N 627 125.064 122.925 2.139 1
1 1289 . 1 1 1 A 106 106 LYS H H 628 9.724 9.117 0.607 1
1 1290 . 1 1 1 A 106 106 LYS HA H 628 4.244 4.601 -0.357 1
1 1299 . 1 1 1 A 106 106 LYS CA C 628 54.781 55.750 -0.969 1
1 1300 . 1 1 1 A 106 106 LYS CB C 628 33.456 33.408 0.048 1
1 1304 . 1 1 1 A 106 106 LYS N N 628 128.616 124.355 4.261 1
1 1305 . 1 1 1 A 107 107 ALA H H 629 6.593 7.603 -1.010 1
1 1306 . 1 1 1 A 107 107 ALA HA H 629 4.420 4.650 -0.230 1
1 1310 . 1 1 1 A 107 107 ALA CA C 629 50.003 49.734 0.269 1
1 1311 . 1 1 1 A 107 107 ALA CB C 629 17.219 20.800 -3.581 1
1 1312 . 1 1 1 A 107 107 ALA N N 629 124.084 123.785 0.299 1
1 1313 . 1 1 1 A 108 108 PRO HA H 630 4.302 4.934 -0.632 1
1 1320 . 1 1 1 A 108 108 PRO CA C 630 62.816 62.288 0.528 1
1 1321 . 1 1 1 A 108 108 PRO CB C 630 31.743 31.714 0.029 1
1 1324 . 1 1 1 A 109 109 ALA H H 631 7.898 8.567 -0.669 1
1 1325 . 1 1 1 A 109 109 ALA HA H 631 5.092 5.192 -0.100 1
1 1329 . 1 1 1 A 109 109 ALA CA C 631 50.966 50.520 0.446 1
1 1330 . 1 1 1 A 109 109 ALA CB C 631 22.217 23.387 -1.170 1
1 1331 . 1 1 1 A 109 109 ALA N N 631 122.466 125.961 -3.495 1
1 1332 . 1 1 1 A 110 110 VAL H H 632 8.071 8.880 -0.809 1
1 1333 . 1 1 1 A 110 110 VAL HA H 632 4.167 4.312 -0.145 1
1 1341 . 1 1 1 A 110 110 VAL CA C 632 61.685 62.042 -0.357 1
1 1342 . 1 1 1 A 110 110 VAL CB C 632 32.856 31.937 0.919 1
1 1345 . 1 1 1 A 110 110 VAL N N 632 125.531 119.944 5.587 1
1 1346 . 1 1 1 A 111 111 VAL H H 633 8.182 8.688 -0.506 1
1 1347 . 1 1 1 A 111 111 VAL HA H 633 4.731 5.056 -0.325 1
1 1355 . 1 1 1 A 111 111 VAL CA C 633 59.473 60.259 -0.786 1
1 1356 . 1 1 1 A 111 111 VAL CB C 633 32.919 34.328 -1.409 1
1 1359 . 1 1 1 A 111 111 VAL N N 633 128.148 127.877 0.271 1
1 1360 . 1 1 1 A 112 112 SER H H 634 8.591 8.798 -0.207 1
1 1361 . 1 1 1 A 112 112 SER HA H 634 4.920 5.190 -0.270 1
1 1364 . 1 1 1 A 112 112 SER CA C 634 53.905 55.754 -1.849 1
1 1365 . 1 1 1 A 112 112 SER CB C 634 64.651 65.995 -1.344 1
1 1366 . 1 1 1 A 112 112 SER N N 634 119.276 119.177 0.099 1
1 1367 . 1 1 1 A 113 113 VAL H H 635 8.503 8.465 0.038 1
1 1368 . 1 1 1 A 113 113 VAL HA H 635 4.522 4.545 -0.023 1
1 1376 . 1 1 1 A 113 113 VAL CA C 635 59.398 58.929 0.469 1
1 1377 . 1 1 1 A 113 113 VAL CB C 635 32.548 35.614 -3.066 1
1 1380 . 1 1 1 A 113 113 VAL N N 635 118.886 119.018 -0.132 1
1 1381 . 1 1 1 A 114 114 SER H H 636 8.263 8.842 -0.579 1
1 1382 . 1 1 1 A 114 114 SER HA H 636 3.940 4.613 -0.673 1
1 1385 . 1 1 1 A 114 114 SER CA C 636 61.597 59.176 2.421 1
1 1386 . 1 1 1 A 114 114 SER CB C 636 63.321 64.221 -0.900 1
1 1387 . 1 1 1 A 114 114 SER N N 636 112.710 116.292 -3.582 1
1 1388 . 1 1 1 A 115 115 SER H H 637 7.269 7.435 -0.166 1
1 1389 . 1 1 1 A 115 115 SER HA H 637 4.956 5.011 -0.055 1
1 1392 . 1 1 1 A 115 115 SER CA C 637 55.674 55.652 0.022 1
1 1393 . 1 1 1 A 115 115 SER CB C 637 64.074 65.313 -1.239 1
1 1394 . 1 1 1 A 115 115 SER N N 637 114.537 110.644 3.893 1
1 1395 . 1 1 1 A 116 116 PRO HA H 638 4.186 4.260 -0.074 1
1 1402 . 1 1 1 A 116 116 PRO CA C 638 65.021 65.165 -0.144 1
1 1403 . 1 1 1 A 116 116 PRO CB C 638 31.908 31.855 0.053 1
1 1406 . 1 1 1 A 117 117 ASP H H 639 8.161 8.415 -0.254 1
1 1407 . 1 1 1 A 117 117 ASP HA H 639 4.359 4.420 -0.061 1
1 1410 . 1 1 1 A 117 117 ASP CA C 639 55.928 56.530 -0.602 1
1 1411 . 1 1 1 A 117 117 ASP CB C 639 40.088 40.365 -0.277 1
1 1412 . 1 1 1 A 117 117 ASP N N 639 116.310 117.091 -0.781 1
1 1413 . 1 1 1 A 118 118 ALA H H 640 7.596 7.861 -0.265 1
1 1414 . 1 1 1 A 118 118 ALA HA H 640 4.225 4.115 0.110 1
1 1418 . 1 1 1 A 118 118 ALA CA C 640 52.964 54.584 -1.620 1
1 1419 . 1 1 1 A 118 118 ALA CB C 640 18.334 18.312 0.022 1
1 1420 . 1 1 1 A 118 118 ALA N N 640 121.066 122.293 -1.227 1
1 1421 . 1 1 1 A 119 119 VAL H H 641 7.280 7.699 -0.419 1
1 1422 . 1 1 1 A 119 119 VAL HA H 641 3.221 3.500 -0.279 1
1 1430 . 1 1 1 A 119 119 VAL CA C 641 66.608 67.078 -0.470 1
1 1431 . 1 1 1 A 119 119 VAL CB C 641 31.436 31.513 -0.077 1
1 1434 . 1 1 1 A 119 119 VAL N N 641 120.886 119.805 1.081 1
1 1435 . 1 1 1 A 120 120 THR H H 642 7.475 8.045 -0.570 1
1 1436 . 1 1 1 A 120 120 THR HA H 642 3.840 3.896 -0.056 1
1 1441 . 1 1 1 A 120 120 THR CA C 642 65.297 66.129 -0.832 1
1 1442 . 1 1 1 A 120 120 THR CB C 642 68.042 68.272 -0.230 1
1 1444 . 1 1 1 A 120 120 THR N N 642 112.821 115.551 -2.730 1
1 1445 . 1 1 1 A 121 121 THR H H 643 7.328 7.970 -0.642 1
1 1446 . 1 1 1 A 121 121 THR HA H 643 3.477 3.691 -0.214 1
1 1451 . 1 1 1 A 121 121 THR CA C 643 65.341 66.359 -1.018 1
1 1452 . 1 1 1 A 121 121 THR CB C 643 68.196 68.511 -0.315 1
1 1454 . 1 1 1 A 121 121 THR N N 643 119.194 116.985 2.209 1
1 1455 . 1 1 1 A 122 122 TYR H H 644 8.766 8.397 0.369 1
1 1456 . 1 1 1 A 122 122 TYR HA H 644 3.764 3.926 -0.162 1
1 1463 . 1 1 1 A 122 122 TYR CA C 644 62.340 61.891 0.449 1
1 1464 . 1 1 1 A 122 122 TYR CB C 644 39.106 38.440 0.666 1
1 1467 . 1 1 1 A 122 122 TYR N N 644 122.838 120.412 2.426 1
1 1468 . 1 1 1 A 123 123 ASN H H 645 8.290 8.577 -0.287 1
1 1469 . 1 1 1 A 123 123 ASN HA H 645 4.299 4.386 -0.087 1
1 1474 . 1 1 1 A 123 123 ASN CA C 645 55.018 56.075 -1.057 1
1 1475 . 1 1 1 A 123 123 ASN CB C 645 36.967 37.725 -0.758 1
1 1476 . 1 1 1 A 123 123 ASN N N 645 116.356 117.700 -1.344 1
1 1478 . 1 1 1 A 124 124 GLY H H 646 7.768 8.167 -0.399 1
1 1479 . 1 1 1 A 124 124 GLY HA2 H 646 3.639 3.523 0.116 1
1 1480 . 1 1 1 A 124 124 GLY HA3 H 646 3.707 3.655 0.052 1
1 1481 . 1 1 1 A 124 124 GLY CA C 646 46.521 47.190 -0.669 1
1 1482 . 1 1 1 A 124 124 GLY N N 646 108.260 108.404 -0.144 1
1 1483 . 1 1 1 A 125 125 TYR H H 647 7.386 7.238 0.148 1
1 1484 . 1 1 1 A 125 125 TYR HA H 647 4.608 4.594 0.014 1
1 1491 . 1 1 1 A 125 125 TYR CA C 647 57.204 59.985 -2.781 1
1 1492 . 1 1 1 A 125 125 TYR CB C 647 37.557 37.947 -0.390 1
1 1495 . 1 1 1 A 125 125 TYR N N 647 120.587 121.389 -0.802 1
1 1496 . 1 1 1 A 126 126 LEU H H 648 7.802 7.937 -0.135 1
1 1497 . 1 1 1 A 126 126 LEU HA H 648 3.801 3.875 -0.074 1
1 1507 . 1 1 1 A 126 126 LEU CA C 648 56.663 57.377 -0.714 1
1 1508 . 1 1 1 A 126 126 LEU CB C 648 42.298 41.399 0.899 1
1 1512 . 1 1 1 A 126 126 LEU N N 648 119.234 120.497 -1.263 1
1 1513 . 1 1 1 A 127 127 THR H H 649 7.473 7.721 -0.248 1
1 1514 . 1 1 1 A 127 127 THR HA H 649 4.238 3.903 0.335 1
1 1519 . 1 1 1 A 127 127 THR CA C 649 61.868 65.368 -3.500 1
1 1520 . 1 1 1 A 127 127 THR CB C 649 69.451 68.966 0.485 1
1 1522 . 1 1 1 A 127 127 THR N N 649 108.633 114.008 -5.375 1
1 1523 . 1 1 1 A 128 128 SER H H 650 7.696 8.106 -0.410 1
1 1524 . 1 1 1 A 128 128 SER HA H 650 4.439 4.218 0.221 1
1 1527 . 1 1 1 A 128 128 SER CA C 650 58.451 58.922 -0.471 1
1 1528 . 1 1 1 A 128 128 SER CB C 650 63.763 60.854 2.909 1
1 1529 . 1 1 1 A 128 128 SER N N 650 117.667 117.119 0.548 1
1 1 . 2 1 1 A 2 2 SER HA H -3 4.607 3.986 0.621 1
1 4 . 2 1 1 A 2 2 SER C C -3 174.489 173.673 0.816 1
1 5 . 2 1 1 A 2 2 SER CA C -3 56.994 58.742 -1.748 1
1 6 . 2 1 1 A 2 2 SER CB C -3 64.641 61.770 2.871 1
1 7 . 2 1 1 A 2 2 SER N N -3 115.970 114.005 1.965 1
1 8 . 2 1 1 A 3 3 HIS H H -2 8.138 7.944 0.194 1
1 9 . 2 1 1 A 3 3 HIS HA H -2 4.558 5.011 -0.453 1
1 13 . 2 1 1 A 3 3 HIS C C -2 176.502 174.744 1.758 1
1 14 . 2 1 1 A 3 3 HIS CA C -2 56.164 55.057 1.107 1
1 15 . 2 1 1 A 3 3 HIS CB C -2 30.643 31.527 -0.884 1
1 17 . 2 1 1 A 3 3 HIS N N -2 122.640 119.254 3.386 1
1 39 . 2 1 1 A 6 6 THR H H 528 7.755 8.690 -0.935 1
1 40 . 2 1 1 A 6 6 THR HA H 528 5.155 4.736 0.419 1
1 45 . 2 1 1 A 6 6 THR C C 528 174.544 174.202 0.342 1
1 46 . 2 1 1 A 6 6 THR CA C 528 60.657 62.916 -2.259 1
1 47 . 2 1 1 A 6 6 THR CB C 528 68.218 69.781 -1.563 1
1 49 . 2 1 1 A 6 6 THR N N 528 118.293 116.391 1.902 1
1 50 . 2 1 1 A 7 7 VAL H H 529 8.966 8.494 0.472 1
1 51 . 2 1 1 A 7 7 VAL HA H 529 4.240 4.819 -0.579 1
1 59 . 2 1 1 A 7 7 VAL C C 529 174.012 173.809 0.203 1
1 60 . 2 1 1 A 7 7 VAL CA C 529 58.309 58.767 -0.458 1
1 61 . 2 1 1 A 7 7 VAL CB C 529 35.661 35.652 0.009 1
1 64 . 2 1 1 A 7 7 VAL N N 529 121.381 119.524 1.857 1
1 65 . 2 1 1 A 8 8 SER H H 530 8.193 8.547 -0.354 1
1 66 . 2 1 1 A 8 8 SER HA H 530 4.825 4.659 0.166 1
1 69 . 2 1 1 A 8 8 SER C C 530 172.908 173.439 -0.531 1
1 70 . 2 1 1 A 8 8 SER CA C 530 55.790 56.766 -0.976 1
1 71 . 2 1 1 A 8 8 SER CB C 530 62.800 62.965 -0.165 1
1 72 . 2 1 1 A 8 8 SER N N 530 113.044 116.113 -3.069 1
1 73 . 2 1 1 A 9 9 TRP H H 531 7.595 8.542 -0.947 1
1 74 . 2 1 1 A 9 9 TRP HA H 531 5.353 4.861 0.492 1
1 83 . 2 1 1 A 9 9 TRP C C 531 177.031 175.992 1.039 1
1 84 . 2 1 1 A 9 9 TRP CA C 531 51.902 57.200 -5.298 1
1 85 . 2 1 1 A 9 9 TRP CB C 531 32.848 30.526 2.322 1
1 91 . 2 1 1 A 9 9 TRP N N 531 124.627 127.465 -2.838 1
1 93 . 2 1 1 A 10 10 ASN H H 532 9.312 8.671 0.641 1
1 94 . 2 1 1 A 10 10 ASN HA H 532 4.601 5.161 -0.560 1
1 99 . 2 1 1 A 10 10 ASN C C 532 175.214 175.753 -0.539 1
1 100 . 2 1 1 A 10 10 ASN CA C 532 51.428 51.404 0.024 1
1 101 . 2 1 1 A 10 10 ASN CB C 532 38.140 39.779 -1.639 1
1 102 . 2 1 1 A 10 10 ASN N N 532 121.842 119.347 2.495 1
1 104 . 2 1 1 A 11 11 LEU H H 533 8.503 8.664 -0.161 1
1 105 . 2 1 1 A 11 11 LEU HA H 533 4.086 4.062 0.024 1
1 115 . 2 1 1 A 11 11 LEU C C 533 178.309 178.620 -0.311 1
1 116 . 2 1 1 A 11 11 LEU CA C 533 58.491 58.860 -0.369 1
1 117 . 2 1 1 A 11 11 LEU CB C 533 41.525 41.232 0.293 1
1 121 . 2 1 1 A 11 11 LEU N N 533 119.723 121.349 -1.626 1
1 122 . 2 1 1 A 12 12 ARG H H 534 8.057 8.272 -0.215 1
1 123 . 2 1 1 A 12 12 ARG HA H 534 3.840 4.039 -0.199 1
1 130 . 2 1 1 A 12 12 ARG C C 534 179.597 179.283 0.314 1
1 131 . 2 1 1 A 12 12 ARG CA C 534 59.873 59.557 0.316 1
1 132 . 2 1 1 A 12 12 ARG CB C 534 29.076 29.788 -0.712 1
1 135 . 2 1 1 A 12 12 ARG N N 534 117.711 118.908 -1.197 1
1 136 . 2 1 1 A 13 13 GLU H H 535 8.342 8.269 0.073 1
1 137 . 2 1 1 A 13 13 GLU HA H 535 3.724 4.040 -0.316 1
1 142 . 2 1 1 A 13 13 GLU C C 535 179.948 179.192 0.756 1
1 143 . 2 1 1 A 13 13 GLU CA C 535 58.753 59.042 -0.289 1
1 144 . 2 1 1 A 13 13 GLU CB C 535 29.402 29.336 0.066 1
1 146 . 2 1 1 A 13 13 GLU N N 535 121.501 119.668 1.833 1
1 147 . 2 1 1 A 14 14 MET H H 536 8.684 8.517 0.167 1
1 148 . 2 1 1 A 14 14 MET HA H 536 3.945 4.308 -0.363 1
1 156 . 2 1 1 A 14 14 MET C C 536 177.364 179.175 -1.811 1
1 157 . 2 1 1 A 14 14 MET CA C 536 60.550 58.724 1.826 1
1 158 . 2 1 1 A 14 14 MET CB C 536 34.412 33.050 1.362 1
1 161 . 2 1 1 A 14 14 MET N N 536 120.565 119.880 0.685 1
1 162 . 2 1 1 A 15 15 LEU H H 537 8.731 8.573 0.158 1
1 163 . 2 1 1 A 15 15 LEU HA H 537 3.970 4.094 -0.124 1
1 173 . 2 1 1 A 15 15 LEU C C 537 178.544 178.714 -0.170 1
1 174 . 2 1 1 A 15 15 LEU CA C 537 57.723 57.989 -0.266 1
1 175 . 2 1 1 A 15 15 LEU CB C 537 41.396 41.819 -0.423 1
1 179 . 2 1 1 A 15 15 LEU N N 537 118.710 119.997 -1.287 1
1 180 . 2 1 1 A 16 16 ALA H H 538 7.816 8.513 -0.697 1
1 181 . 2 1 1 A 16 16 ALA HA H 538 4.026 4.052 -0.026 1
1 185 . 2 1 1 A 16 16 ALA C C 538 180.374 179.577 0.797 1
1 186 . 2 1 1 A 16 16 ALA CA C 538 54.734 54.821 -0.087 1
1 187 . 2 1 1 A 16 16 ALA CB C 538 17.670 18.115 -0.445 1
1 188 . 2 1 1 A 16 16 ALA N N 538 120.155 120.431 -0.276 1
1 189 . 2 1 1 A 17 17 HIS H H 539 7.715 8.301 -0.586 1
1 190 . 2 1 1 A 17 17 HIS HA H 539 4.180 4.158 0.022 1
1 194 . 2 1 1 A 17 17 HIS C C 539 179.167 176.555 2.612 1
1 195 . 2 1 1 A 17 17 HIS CA C 539 59.392 59.573 -0.181 1
1 196 . 2 1 1 A 17 17 HIS CB C 539 29.094 29.592 -0.498 1
1 198 . 2 1 1 A 17 17 HIS N N 539 117.446 118.039 -0.593 1
1 199 . 2 1 1 A 18 18 ALA H H 540 8.995 8.291 0.704 1
1 200 . 2 1 1 A 18 18 ALA HA H 540 3.656 3.891 -0.235 1
1 204 . 2 1 1 A 18 18 ALA C C 540 180.803 179.628 1.175 1
1 205 . 2 1 1 A 18 18 ALA CA C 540 55.762 55.355 0.407 1
1 206 . 2 1 1 A 18 18 ALA CB C 540 18.380 18.182 0.198 1
1 207 . 2 1 1 A 18 18 ALA N N 540 124.222 120.842 3.380 1
1 208 . 2 1 1 A 19 19 GLU H H 541 8.840 8.496 0.344 1
1 209 . 2 1 1 A 19 19 GLU HA H 541 3.695 3.896 -0.201 1
1 214 . 2 1 1 A 19 19 GLU C C 541 178.479 178.845 -0.366 1
1 215 . 2 1 1 A 19 19 GLU CA C 541 59.695 59.582 0.113 1
1 216 . 2 1 1 A 19 19 GLU CB C 541 29.740 29.218 0.522 1
1 218 . 2 1 1 A 19 19 GLU N N 541 121.086 117.538 3.548 1
1 219 . 2 1 1 A 20 20 GLU H H 542 7.649 8.262 -0.613 1
1 220 . 2 1 1 A 20 20 GLU HA H 542 3.980 4.071 -0.091 1
1 225 . 2 1 1 A 20 20 GLU C C 542 178.212 178.682 -0.470 1
1 226 . 2 1 1 A 20 20 GLU CA C 542 58.593 59.278 -0.685 1
1 227 . 2 1 1 A 20 20 GLU CB C 542 30.293 29.481 0.812 1
1 229 . 2 1 1 A 20 20 GLU N N 542 117.027 120.504 -3.477 1
1 230 . 2 1 1 A 21 21 THR H H 543 7.588 8.049 -0.461 1
1 231 . 2 1 1 A 21 21 THR HA H 543 4.105 4.160 -0.055 1
1 236 . 2 1 1 A 21 21 THR C C 543 175.320 174.298 1.022 1
1 237 . 2 1 1 A 21 21 THR CA C 543 62.110 62.720 -0.610 1
1 238 . 2 1 1 A 21 21 THR CB C 543 70.747 69.636 1.111 1
1 240 . 2 1 1 A 21 21 THR N N 543 105.058 110.051 -4.993 1
1 241 . 2 1 1 A 22 22 ARG H H 544 7.678 7.532 0.146 1
1 242 . 2 1 1 A 22 22 ARG HA H 544 3.925 3.890 0.035 1
1 249 . 2 1 1 A 22 22 ARG C C 544 175.207 174.588 0.619 1
1 250 . 2 1 1 A 22 22 ARG CA C 544 55.996 56.960 -0.964 1
1 251 . 2 1 1 A 22 22 ARG CB C 544 24.959 27.787 -2.828 1
1 254 . 2 1 1 A 22 22 ARG N N 544 116.694 117.433 -0.739 1
1 255 . 2 1 1 A 23 23 LYS H H 545 6.931 7.439 -0.508 1
1 256 . 2 1 1 A 23 23 LYS HA H 545 4.169 4.876 -0.707 1
1 265 . 2 1 1 A 23 23 LYS C C 545 174.855 174.714 0.141 1
1 266 . 2 1 1 A 23 23 LYS CA C 545 56.339 54.164 2.175 1
1 267 . 2 1 1 A 23 23 LYS CB C 545 36.104 35.476 0.628 1
1 271 . 2 1 1 A 23 23 LYS N N 545 117.744 117.728 0.016 1
1 272 . 2 1 1 A 24 24 LEU H H 546 7.898 8.341 -0.443 1
1 273 . 2 1 1 A 24 24 LEU HA H 546 4.487 4.713 -0.226 1
1 283 . 2 1 1 A 24 24 LEU C C 546 175.730 175.536 0.194 1
1 284 . 2 1 1 A 24 24 LEU CA C 546 54.171 54.561 -0.390 1
1 285 . 2 1 1 A 24 24 LEU CB C 546 43.228 43.612 -0.384 1
1 289 . 2 1 1 A 24 24 LEU N N 546 122.692 123.214 -0.522 1
1 290 . 2 1 1 A 25 25 MET H H 547 8.767 9.014 -0.247 1
1 291 . 2 1 1 A 25 25 MET HA H 547 5.728 5.154 0.574 1
1 299 . 2 1 1 A 25 25 MET CA C 547 51.900 52.410 -0.510 1
1 300 . 2 1 1 A 25 25 MET CB C 547 34.876 34.304 0.572 1
1 303 . 2 1 1 A 25 25 MET N N 547 126.346 126.514 -0.168 1
1 304 . 2 1 1 A 26 26 PRO HA H 548 5.994 5.276 0.718 1
1 311 . 2 1 1 A 26 26 PRO C C 548 176.241 176.423 -0.182 1
1 312 . 2 1 1 A 26 26 PRO CA C 548 61.285 62.998 -1.713 1
1 313 . 2 1 1 A 26 26 PRO CB C 548 32.260 32.764 -0.504 1
1 316 . 2 1 1 A 27 27 ILE H H 549 9.054 8.904 0.150 1
1 317 . 2 1 1 A 27 27 ILE HA H 549 4.284 4.650 -0.366 1
1 327 . 2 1 1 A 27 27 ILE C C 549 173.407 174.837 -1.430 1
1 328 . 2 1 1 A 27 27 ILE CA C 549 57.503 59.423 -1.920 1
1 329 . 2 1 1 A 27 27 ILE CB C 549 41.581 42.077 -0.496 1
1 333 . 2 1 1 A 27 27 ILE N N 549 126.281 121.731 4.550 1
1 334 . 2 1 1 A 28 28 CYS H H 550 8.459 8.531 -0.072 1
1 335 . 2 1 1 A 28 28 CYS HA H 550 3.704 3.575 0.129 1
1 339 . 2 1 1 A 28 28 CYS C C 550 174.180 175.592 -1.412 1
1 340 . 2 1 1 A 28 28 CYS CA C 550 56.873 57.984 -1.111 1
1 341 . 2 1 1 A 28 28 CYS CB C 550 27.537 26.982 0.555 1
1 342 . 2 1 1 A 28 28 CYS N N 550 125.844 125.772 0.072 1
1 343 . 2 1 1 A 29 29 MET H H 551 8.782 8.760 0.022 1
1 344 . 2 1 1 A 29 29 MET HA H 551 4.637 4.218 0.419 1
1 352 . 2 1 1 A 29 29 MET C C 551 174.613 177.576 -2.963 1
1 353 . 2 1 1 A 29 29 MET CA C 551 56.871 57.468 -0.597 1
1 354 . 2 1 1 A 29 29 MET CB C 551 34.394 32.242 2.152 1
1 357 . 2 1 1 A 29 29 MET N N 551 127.467 126.427 1.040 1
1 358 . 2 1 1 A 30 30 ASP H H 552 7.308 8.038 -0.730 1
1 359 . 2 1 1 A 30 30 ASP HA H 552 4.562 4.383 0.179 1
1 362 . 2 1 1 A 30 30 ASP C C 552 175.386 177.015 -1.629 1
1 363 . 2 1 1 A 30 30 ASP CA C 552 54.371 56.841 -2.470 1
1 364 . 2 1 1 A 30 30 ASP CB C 552 41.751 40.722 1.029 1
1 365 . 2 1 1 A 30 30 ASP N N 552 117.209 120.280 -3.071 1
1 366 . 2 1 1 A 31 31 VAL H H 553 7.257 7.682 -0.425 1
1 367 . 2 1 1 A 31 31 VAL HA H 553 4.057 4.192 -0.135 1
1 375 . 2 1 1 A 31 31 VAL C C 553 175.729 175.838 -0.109 1
1 376 . 2 1 1 A 31 31 VAL CA C 553 61.834 62.069 -0.235 1
1 377 . 2 1 1 A 31 31 VAL CB C 553 30.034 29.832 0.202 1
1 380 . 2 1 1 A 31 31 VAL N N 553 120.645 119.093 1.552 1
1 381 . 2 1 1 A 32 32 ARG H H 554 8.412 8.131 0.281 1
1 382 . 2 1 1 A 32 32 ARG HA H 554 3.794 3.989 -0.195 1
1 389 . 2 1 1 A 32 32 ARG C C 554 178.819 178.634 0.185 1
1 390 . 2 1 1 A 32 32 ARG CA C 554 59.725 59.373 0.352 1
1 391 . 2 1 1 A 32 32 ARG CB C 554 29.537 29.771 -0.234 1
1 394 . 2 1 1 A 32 32 ARG N N 554 130.554 127.600 2.954 1
1 395 . 2 1 1 A 33 33 ALA H H 555 9.094 8.030 1.064 1
1 396 . 2 1 1 A 33 33 ALA HA H 555 4.081 4.072 0.009 1
1 400 . 2 1 1 A 33 33 ALA C C 555 180.716 179.914 0.802 1
1 401 . 2 1 1 A 33 33 ALA CA C 555 55.002 55.236 -0.234 1
1 402 . 2 1 1 A 33 33 ALA CB C 555 18.462 18.529 -0.067 1
1 403 . 2 1 1 A 33 33 ALA N N 555 119.862 121.688 -1.826 1
1 404 . 2 1 1 A 34 34 ILE H H 556 6.620 7.612 -0.992 1
1 405 . 2 1 1 A 34 34 ILE HA H 556 3.745 3.573 0.172 1
1 415 . 2 1 1 A 34 34 ILE C C 556 177.540 177.854 -0.314 1
1 416 . 2 1 1 A 34 34 ILE CA C 556 64.101 65.056 -0.955 1
1 417 . 2 1 1 A 34 34 ILE CB C 556 38.397 37.938 0.459 1
1 421 . 2 1 1 A 34 34 ILE N N 556 116.216 118.193 -1.977 1
1 422 . 2 1 1 A 35 35 MET H H 557 7.619 7.986 -0.367 1
1 423 . 2 1 1 A 35 35 MET HA H 557 4.249 4.087 0.162 1
1 431 . 2 1 1 A 35 35 MET C C 557 178.737 178.450 0.287 1
1 432 . 2 1 1 A 35 35 MET CA C 557 56.113 58.693 -2.580 1
1 433 . 2 1 1 A 35 35 MET CB C 557 29.490 32.540 -3.050 1
1 436 . 2 1 1 A 35 35 MET N N 557 118.017 118.309 -0.292 1
1 437 . 2 1 1 A 36 36 ALA H H 558 8.410 7.990 0.420 1
1 438 . 2 1 1 A 36 36 ALA HA H 558 4.084 4.161 -0.077 1
1 442 . 2 1 1 A 36 36 ALA C C 558 180.632 179.910 0.722 1
1 443 . 2 1 1 A 36 36 ALA CA C 558 55.024 54.734 0.290 1
1 444 . 2 1 1 A 36 36 ALA CB C 558 17.698 18.191 -0.493 1
1 445 . 2 1 1 A 36 36 ALA N N 558 121.592 121.302 0.290 1
1 446 . 2 1 1 A 37 37 THR H H 559 7.294 7.847 -0.553 1
1 447 . 2 1 1 A 37 37 THR HA H 559 3.858 4.013 -0.155 1
1 452 . 2 1 1 A 37 37 THR C C 559 176.419 176.753 -0.334 1
1 453 . 2 1 1 A 37 37 THR CA C 559 66.590 66.568 0.022 1
1 454 . 2 1 1 A 37 37 THR CB C 559 68.001 68.967 -0.966 1
1 456 . 2 1 1 A 37 37 THR N N 559 115.835 114.451 1.384 1
1 457 . 2 1 1 A 38 38 ILE H H 560 8.109 7.717 0.392 1
1 458 . 2 1 1 A 38 38 ILE HA H 560 3.698 3.685 0.013 1
1 468 . 2 1 1 A 38 38 ILE C C 560 176.934 178.221 -1.287 1
1 469 . 2 1 1 A 38 38 ILE CA C 560 65.952 65.938 0.014 1
1 470 . 2 1 1 A 38 38 ILE CB C 560 38.252 37.738 0.514 1
1 474 . 2 1 1 A 38 38 ILE N N 560 121.886 121.261 0.625 1
1 475 . 2 1 1 A 39 39 GLN H H 561 8.425 8.578 -0.153 1
1 476 . 2 1 1 A 39 39 GLN HA H 561 3.809 4.267 -0.458 1
1 483 . 2 1 1 A 39 39 GLN C C 561 177.126 178.552 -1.426 1
1 484 . 2 1 1 A 39 39 GLN CA C 561 58.751 59.099 -0.348 1
1 485 . 2 1 1 A 39 39 GLN CB C 561 29.255 28.568 0.687 1
1 487 . 2 1 1 A 39 39 GLN N N 561 116.211 117.944 -1.733 1
1 489 . 2 1 1 A 40 40 ARG H H 562 7.334 8.095 -0.761 1
1 490 . 2 1 1 A 40 40 ARG HA H 562 4.092 4.053 0.039 1
1 497 . 2 1 1 A 40 40 ARG C C 562 177.186 179.075 -1.889 1
1 498 . 2 1 1 A 40 40 ARG CA C 562 57.837 59.221 -1.384 1
1 499 . 2 1 1 A 40 40 ARG CB C 562 30.668 30.021 0.647 1
1 502 . 2 1 1 A 40 40 ARG N N 562 116.464 121.311 -4.847 1
1 503 . 2 1 1 A 41 41 LYS H H 563 7.802 7.587 0.215 1
1 504 . 2 1 1 A 41 41 LYS HA H 563 3.926 3.955 -0.029 1
1 513 . 2 1 1 A 41 41 LYS C C 563 176.735 176.336 0.399 1
1 514 . 2 1 1 A 41 41 LYS CA C 563 57.866 58.562 -0.696 1
1 515 . 2 1 1 A 41 41 LYS CB C 563 33.314 32.908 0.406 1
1 519 . 2 1 1 A 41 41 LYS N N 563 118.658 119.244 -0.586 1
1 520 . 2 1 1 A 42 42 TYR H H 564 8.208 8.576 -0.368 1
1 521 . 2 1 1 A 42 42 TYR HA H 564 4.786 5.269 -0.483 1
1 528 . 2 1 1 A 42 42 TYR C C 564 174.346 176.156 -1.810 1
1 529 . 2 1 1 A 42 42 TYR CA C 564 55.497 56.167 -0.670 1
1 530 . 2 1 1 A 42 42 TYR CB C 564 36.075 38.109 -2.034 1
1 533 . 2 1 1 A 42 42 TYR N N 564 121.157 117.186 3.971 1
1 534 . 2 1 1 A 43 43 LYS H H 565 7.212 8.304 -1.092 1
1 535 . 2 1 1 A 43 43 LYS HA H 565 4.081 4.216 -0.135 1
1 544 . 2 1 1 A 43 43 LYS C C 565 179.082 178.518 0.564 1
1 545 . 2 1 1 A 43 43 LYS CA C 565 58.075 59.286 -1.211 1
1 546 . 2 1 1 A 43 43 LYS CB C 565 32.157 32.285 -0.128 1
1 550 . 2 1 1 A 43 43 LYS N N 565 119.412 124.328 -4.916 1
1 551 . 2 1 1 A 44 44 GLY H H 566 9.179 8.209 0.970 1
1 552 . 2 1 1 A 44 44 GLY HA2 H 566 3.607 3.852 -0.245 1
1 553 . 2 1 1 A 44 44 GLY HA3 H 566 4.252 3.904 0.348 1
1 554 . 2 1 1 A 44 44 GLY C C 566 173.990 173.512 0.478 1
1 555 . 2 1 1 A 44 44 GLY CA C 566 44.860 45.553 -0.693 1
1 556 . 2 1 1 A 44 44 GLY N N 566 114.958 106.869 8.089 1
1 557 . 2 1 1 A 45 45 ILE H H 567 7.604 7.471 0.133 1
1 558 . 2 1 1 A 45 45 ILE HA H 567 2.533 4.401 -1.868 1
1 568 . 2 1 1 A 45 45 ILE C C 567 172.893 174.591 -1.698 1
1 569 . 2 1 1 A 45 45 ILE CA C 567 61.754 59.615 2.139 1
1 570 . 2 1 1 A 45 45 ILE CB C 567 38.302 41.147 -2.845 1
1 574 . 2 1 1 A 45 45 ILE N N 567 122.496 120.962 1.534 1
1 575 . 2 1 1 A 46 46 LYS H H 568 7.733 8.835 -1.102 1
1 576 . 2 1 1 A 46 46 LYS HA H 568 4.307 4.899 -0.592 1
1 585 . 2 1 1 A 46 46 LYS C C 568 174.772 175.302 -0.530 1
1 586 . 2 1 1 A 46 46 LYS CA C 568 54.069 54.601 -0.532 1
1 587 . 2 1 1 A 46 46 LYS CB C 568 31.741 35.346 -3.605 1
1 591 . 2 1 1 A 46 46 LYS N N 568 128.712 124.382 4.330 1
1 592 . 2 1 1 A 47 47 ILE H H 569 8.081 8.452 -0.371 1
1 593 . 2 1 1 A 47 47 ILE HA H 569 3.166 3.965 -0.799 1
1 603 . 2 1 1 A 47 47 ILE CA C 569 61.564 61.136 0.428 1
1 604 . 2 1 1 A 47 47 ILE CB C 569 36.718 37.697 -0.979 1
1 608 . 2 1 1 A 47 47 ILE N N 569 124.424 124.381 0.043 1
1 609 . 2 1 1 A 48 48 GLN H H 570 6.700 8.722 -2.022 1
1 610 . 2 1 1 A 48 48 GLN HA H 570 4.205 4.961 -0.756 1
1 617 . 2 1 1 A 48 48 GLN CA C 570 53.129 53.922 -0.793 1
1 618 . 2 1 1 A 48 48 GLN CB C 570 31.211 32.618 -1.407 1
1 620 . 2 1 1 A 48 48 GLN N N 570 122.748 123.587 -0.839 1
1 622 . 2 1 1 A 49 49 GLU H H 571 8.218 8.526 -0.308 1
1 623 . 2 1 1 A 49 49 GLU HA H 571 3.727 4.602 -0.875 1
1 628 . 2 1 1 A 49 49 GLU CA C 571 57.976 57.826 0.150 1
1 629 . 2 1 1 A 49 49 GLU CB C 571 30.954 29.458 1.496 1
1 631 . 2 1 1 A 49 49 GLU N N 571 116.531 121.639 -5.108 1
1 632 . 2 1 1 A 50 50 GLY H H 572 8.967 7.838 1.129 1
1 633 . 2 1 1 A 50 50 GLY HA2 H 572 2.810 4.211 -1.401 1
1 634 . 2 1 1 A 50 50 GLY HA3 H 572 4.198 4.244 -0.046 1
1 635 . 2 1 1 A 50 50 GLY CA C 572 43.607 44.804 -1.197 1
1 636 . 2 1 1 A 50 50 GLY N N 572 111.469 110.547 0.922 1
1 637 . 2 1 1 A 51 51 ILE H H 573 8.410 8.728 -0.318 1
1 638 . 2 1 1 A 51 51 ILE HA H 573 4.916 4.586 0.330 1
1 648 . 2 1 1 A 51 51 ILE CA C 573 61.137 61.920 -0.783 1
1 649 . 2 1 1 A 51 51 ILE CB C 573 38.165 38.006 0.159 1
1 653 . 2 1 1 A 51 51 ILE N N 573 120.591 122.262 -1.671 1
1 654 . 2 1 1 A 52 52 VAL H H 574 8.900 8.939 -0.039 1
1 655 . 2 1 1 A 52 52 VAL HA H 574 4.073 4.919 -0.846 1
1 663 . 2 1 1 A 52 52 VAL CA C 574 62.516 60.950 1.566 1
1 664 . 2 1 1 A 52 52 VAL CB C 574 35.957 35.081 0.876 1
1 667 . 2 1 1 A 52 52 VAL N N 574 131.435 128.713 2.722 1
1 668 . 2 1 1 A 53 53 ASP H H 575 8.731 9.020 -0.289 1
1 669 . 2 1 1 A 53 53 ASP HA H 575 4.953 5.130 -0.177 1
1 672 . 2 1 1 A 53 53 ASP CA C 575 52.137 53.281 -1.144 1
1 673 . 2 1 1 A 53 53 ASP CB C 575 40.659 42.086 -1.427 1
1 674 . 2 1 1 A 53 53 ASP N N 575 126.463 128.949 -2.486 1
1 675 . 2 1 1 A 54 54 TYR H H 576 8.639 8.826 -0.187 1
1 676 . 2 1 1 A 54 54 TYR HA H 576 4.407 4.896 -0.489 1
1 683 . 2 1 1 A 54 54 TYR CA C 576 57.833 57.933 -0.100 1
1 684 . 2 1 1 A 54 54 TYR CB C 576 38.634 40.921 -2.287 1
1 687 . 2 1 1 A 54 54 TYR N N 576 131.097 126.521 4.576 1
1 688 . 2 1 1 A 55 55 GLY H H 577 8.388 9.006 -0.618 1
1 689 . 2 1 1 A 55 55 GLY HA2 H 577 3.056 3.895 -0.839 1
1 690 . 2 1 1 A 55 55 GLY HA3 H 577 4.307 3.931 0.376 1
1 691 . 2 1 1 A 55 55 GLY CA C 577 46.347 45.637 0.710 1
1 692 . 2 1 1 A 55 55 GLY N N 577 115.719 116.831 -1.112 1
1 693 . 2 1 1 A 56 56 VAL H H 578 7.143 7.856 -0.713 1
1 694 . 2 1 1 A 56 56 VAL HA H 578 3.410 4.471 -1.061 1
1 702 . 2 1 1 A 56 56 VAL CA C 578 60.335 59.802 0.533 1
1 703 . 2 1 1 A 56 56 VAL CB C 578 35.027 34.585 0.442 1
1 706 . 2 1 1 A 56 56 VAL N N 578 124.853 119.895 4.958 1
1 707 . 2 1 1 A 57 57 ARG H H 579 8.091 8.316 -0.225 1
1 708 . 2 1 1 A 57 57 ARG HA H 579 4.292 4.705 -0.413 1
1 715 . 2 1 1 A 57 57 ARG CA C 579 55.039 54.654 0.385 1
1 716 . 2 1 1 A 57 57 ARG CB C 579 29.224 31.046 -1.822 1
1 719 . 2 1 1 A 57 57 ARG N N 579 124.754 124.208 0.546 1
1 720 . 2 1 1 A 58 58 PHE H H 580 8.499 9.108 -0.609 1
1 721 . 2 1 1 A 58 58 PHE HA H 580 4.647 5.247 -0.600 1
1 729 . 2 1 1 A 58 58 PHE CA C 580 57.563 56.804 0.759 1
1 730 . 2 1 1 A 58 58 PHE CB C 580 42.026 41.087 0.939 1
1 734 . 2 1 1 A 58 58 PHE N N 580 124.105 126.077 -1.972 1
1 735 . 2 1 1 A 59 59 PHE H H 581 7.683 8.709 -1.026 1
1 736 . 2 1 1 A 59 59 PHE HA H 581 4.689 5.159 -0.470 1
1 743 . 2 1 1 A 59 59 PHE CA C 581 56.662 56.754 -0.092 1
1 744 . 2 1 1 A 59 59 PHE CB C 581 41.024 41.268 -0.244 1
1 747 . 2 1 1 A 59 59 PHE N N 581 119.707 122.668 -2.961 1
1 748 . 2 1 1 A 60 60 PHE H H 582 8.898 8.186 0.712 1
1 749 . 2 1 1 A 60 60 PHE HA H 582 5.563 5.021 0.542 1
1 757 . 2 1 1 A 60 60 PHE CA C 582 57.615 57.176 0.439 1
1 758 . 2 1 1 A 60 60 PHE CB C 582 39.539 40.076 -0.537 1
1 762 . 2 1 1 A 60 60 PHE N N 582 127.157 126.264 0.893 1
1 763 . 2 1 1 A 61 61 TYR H H 583 8.441 8.917 -0.476 1
1 764 . 2 1 1 A 61 61 TYR HA H 583 5.301 5.372 -0.071 1
1 771 . 2 1 1 A 61 61 TYR CA C 583 54.556 55.511 -0.955 1
1 772 . 2 1 1 A 61 61 TYR CB C 583 41.444 41.361 0.083 1
1 775 . 2 1 1 A 61 61 TYR N N 583 119.072 120.232 -1.160 1
1 776 . 2 1 1 A 62 62 THR H H 584 9.444 8.656 0.788 1
1 777 . 2 1 1 A 62 62 THR HA H 584 4.680 5.049 -0.369 1
1 782 . 2 1 1 A 62 62 THR CA C 584 59.784 59.841 -0.057 1
1 783 . 2 1 1 A 62 62 THR CB C 584 71.274 71.697 -0.423 1
1 785 . 2 1 1 A 62 62 THR N N 584 113.469 113.018 0.451 1
1 786 . 2 1 1 A 63 63 SER H H 585 9.092 9.376 -0.284 1
1 787 . 2 1 1 A 63 63 SER HA H 585 4.685 3.830 0.855 1
1 790 . 2 1 1 A 63 63 SER CA C 585 59.665 60.779 -1.114 1
1 791 . 2 1 1 A 63 63 SER CB C 585 62.835 62.969 -0.134 1
1 792 . 2 1 1 A 63 63 SER N N 585 114.155 117.462 -3.307 1
1 793 . 2 1 1 A 64 64 LYS H H 586 7.484 7.820 -0.336 1
1 794 . 2 1 1 A 64 64 LYS HA H 586 4.074 4.244 -0.170 1
1 803 . 2 1 1 A 64 64 LYS CA C 586 55.960 59.399 -3.439 1
1 804 . 2 1 1 A 64 64 LYS CB C 586 32.662 32.409 0.253 1
1 808 . 2 1 1 A 64 64 LYS N N 586 118.230 119.145 -0.915 1
1 809 . 2 1 1 A 65 65 GLU H H 587 7.194 7.913 -0.719 1
1 810 . 2 1 1 A 65 65 GLU HA H 587 4.584 4.368 0.216 1
1 815 . 2 1 1 A 65 65 GLU CA C 587 53.443 54.886 -1.443 1
1 816 . 2 1 1 A 65 65 GLU CB C 587 30.381 30.431 -0.050 1
1 818 . 2 1 1 A 65 65 GLU N N 587 124.837 120.589 4.248 1
1 819 . 2 1 1 A 66 66 PRO HA H 588 4.506 4.565 -0.059 1
1 826 . 2 1 1 A 66 66 PRO CA C 588 62.620 63.274 -0.654 1
1 827 . 2 1 1 A 66 66 PRO CB C 588 32.368 32.203 0.165 1
1 830 . 2 1 1 A 67 67 VAL H H 589 8.545 8.354 0.191 1
1 831 . 2 1 1 A 67 67 VAL HA H 589 3.136 3.192 -0.056 1
1 839 . 2 1 1 A 67 67 VAL CA C 589 66.588 66.357 0.231 1
1 840 . 2 1 1 A 67 67 VAL CB C 589 30.979 31.163 -0.184 1
1 843 . 2 1 1 A 67 67 VAL N N 589 123.156 123.508 -0.352 1
1 844 . 2 1 1 A 68 68 ALA H H 590 8.700 8.419 0.281 1
1 845 . 2 1 1 A 68 68 ALA HA H 590 3.953 3.963 -0.010 1
1 849 . 2 1 1 A 68 68 ALA CA C 590 54.867 55.600 -0.733 1
1 850 . 2 1 1 A 68 68 ALA CB C 590 18.134 18.521 -0.387 1
1 851 . 2 1 1 A 68 68 ALA N N 590 118.895 122.847 -3.952 1
1 852 . 2 1 1 A 69 69 SER H H 591 6.961 7.965 -1.004 1
1 853 . 2 1 1 A 69 69 SER HA H 591 4.195 4.202 -0.007 1
1 856 . 2 1 1 A 69 69 SER CA C 591 60.029 61.482 -1.453 1
1 857 . 2 1 1 A 69 69 SER CB C 591 62.045 62.869 -0.824 1
1 858 . 2 1 1 A 69 69 SER N N 591 111.445 112.504 -1.059 1
1 859 . 2 1 1 A 70 70 ILE H H 592 7.386 7.966 -0.580 1
1 860 . 2 1 1 A 70 70 ILE HA H 592 3.361 3.684 -0.323 1
1 870 . 2 1 1 A 70 70 ILE CA C 592 65.332 64.505 0.827 1
1 871 . 2 1 1 A 70 70 ILE CB C 592 38.427 37.126 1.301 1
1 875 . 2 1 1 A 70 70 ILE N N 592 122.407 121.523 0.884 1
1 876 . 2 1 1 A 71 71 ILE H H 593 8.332 8.144 0.188 1
1 877 . 2 1 1 A 71 71 ILE HA H 593 3.256 3.513 -0.257 1
1 887 . 2 1 1 A 71 71 ILE CA C 593 65.023 64.787 0.236 1
1 888 . 2 1 1 A 71 71 ILE CB C 593 36.662 37.490 -0.828 1
1 892 . 2 1 1 A 71 71 ILE N N 593 117.779 121.722 -3.943 1
1 893 . 2 1 1 A 72 72 THR H H 594 7.834 8.302 -0.468 1
1 894 . 2 1 1 A 72 72 THR HA H 594 3.845 3.873 -0.028 1
1 899 . 2 1 1 A 72 72 THR CA C 594 67.376 66.944 0.432 1
1 900 . 2 1 1 A 72 72 THR CB C 594 68.291 68.451 -0.160 1
1 902 . 2 1 1 A 72 72 THR N N 594 117.154 116.789 0.365 1
1 903 . 2 1 1 A 73 73 LYS H H 595 7.803 7.962 -0.159 1
1 904 . 2 1 1 A 73 73 LYS HA H 595 3.936 3.965 -0.029 1
1 913 . 2 1 1 A 73 73 LYS CA C 595 59.853 59.590 0.263 1
1 914 . 2 1 1 A 73 73 LYS CB C 595 32.531 32.208 0.323 1
1 918 . 2 1 1 A 73 73 LYS N N 595 122.657 120.334 2.323 1
1 919 . 2 1 1 A 74 74 LEU H H 596 8.088 7.766 0.322 1
1 920 . 2 1 1 A 74 74 LEU HA H 596 3.681 3.860 -0.179 1
1 930 . 2 1 1 A 74 74 LEU CA C 596 57.217 57.864 -0.647 1
1 931 . 2 1 1 A 74 74 LEU CB C 596 41.122 40.698 0.424 1
1 935 . 2 1 1 A 74 74 LEU N N 596 119.593 120.258 -0.665 1
1 936 . 2 1 1 A 75 75 ASN H H 597 8.949 8.212 0.737 1
1 937 . 2 1 1 A 75 75 ASN HA H 597 4.471 4.354 0.117 1
1 942 . 2 1 1 A 75 75 ASN CA C 597 54.735 56.529 -1.794 1
1 943 . 2 1 1 A 75 75 ASN CB C 597 37.074 38.418 -1.344 1
1 944 . 2 1 1 A 75 75 ASN N N 597 121.103 118.927 2.176 1
1 946 . 2 1 1 A 76 76 SER H H 598 7.927 8.642 -0.715 1
1 947 . 2 1 1 A 76 76 SER HA H 598 4.137 4.138 -0.001 1
1 950 . 2 1 1 A 76 76 SER CA C 598 60.952 61.527 -0.575 1
1 951 . 2 1 1 A 76 76 SER CB C 598 62.516 62.305 0.211 1
1 952 . 2 1 1 A 76 76 SER N N 598 116.716 114.899 1.817 1
1 953 . 2 1 1 A 77 77 LEU H H 599 7.543 7.675 -0.132 1
1 954 . 2 1 1 A 77 77 LEU HA H 599 3.974 3.971 0.003 1
1 964 . 2 1 1 A 77 77 LEU CA C 599 57.200 57.671 -0.471 1
1 965 . 2 1 1 A 77 77 LEU CB C 599 41.749 41.894 -0.145 1
1 969 . 2 1 1 A 77 77 LEU N N 599 121.292 123.001 -1.709 1
1 970 . 2 1 1 A 78 78 ASN H H 600 7.755 7.941 -0.186 1
1 971 . 2 1 1 A 78 78 ASN HA H 600 4.114 4.270 -0.156 1
1 976 . 2 1 1 A 78 78 ASN CA C 600 53.603 54.223 -0.620 1
1 977 . 2 1 1 A 78 78 ASN CB C 600 37.688 37.235 0.453 1
1 978 . 2 1 1 A 78 78 ASN N N 600 113.272 117.753 -4.481 1
1 980 . 2 1 1 A 79 79 GLU H H 601 8.389 8.044 0.345 1
1 981 . 2 1 1 A 79 79 GLU HA H 601 4.675 4.654 0.021 1
1 986 . 2 1 1 A 79 79 GLU CA C 601 53.418 53.685 -0.267 1
1 987 . 2 1 1 A 79 79 GLU CB C 601 30.704 29.484 1.220 1
1 989 . 2 1 1 A 79 79 GLU N N 601 118.840 118.771 0.069 1
1 990 . 2 1 1 A 80 80 PRO HA H 602 4.771 4.923 -0.152 1
1 997 . 2 1 1 A 80 80 PRO CA C 602 62.189 62.494 -0.305 1
1 998 . 2 1 1 A 80 80 PRO CB C 602 32.196 31.950 0.246 1
1 1001 . 2 1 1 A 81 81 LEU H H 603 8.539 8.712 -0.173 1
1 1002 . 2 1 1 A 81 81 LEU HA H 603 5.766 5.286 0.480 1
1 1012 . 2 1 1 A 81 81 LEU CA C 603 53.432 53.147 0.285 1
1 1013 . 2 1 1 A 81 81 LEU CB C 603 48.114 46.469 1.645 1
1 1017 . 2 1 1 A 81 81 LEU N N 603 118.455 122.507 -4.052 1
1 1018 . 2 1 1 A 82 82 VAL H H 604 8.322 8.223 0.099 1
1 1019 . 2 1 1 A 82 82 VAL HA H 604 5.110 5.047 0.063 1
1 1027 . 2 1 1 A 82 82 VAL CA C 604 59.609 60.685 -1.076 1
1 1028 . 2 1 1 A 82 82 VAL CB C 604 34.100 34.528 -0.428 1
1 1031 . 2 1 1 A 82 82 VAL N N 604 121.259 120.643 0.616 1
1 1032 . 2 1 1 A 83 83 THR H H 605 8.570 8.848 -0.278 1
1 1033 . 2 1 1 A 83 83 THR HA H 605 5.107 4.793 0.314 1
1 1038 . 2 1 1 A 83 83 THR CA C 605 59.606 60.353 -0.747 1
1 1039 . 2 1 1 A 83 83 THR CB C 605 71.321 70.772 0.549 1
1 1041 . 2 1 1 A 83 83 THR N N 605 117.620 121.437 -3.817 1
1 1042 . 2 1 1 A 84 84 MET H H 606 8.288 8.555 -0.267 1
1 1043 . 2 1 1 A 84 84 MET HA H 606 5.310 5.012 0.298 1
1 1051 . 2 1 1 A 84 84 MET CA C 606 55.491 54.959 0.532 1
1 1052 . 2 1 1 A 84 84 MET CB C 606 31.549 32.467 -0.918 1
1 1055 . 2 1 1 A 84 84 MET N N 606 125.405 122.350 3.055 1
1 1056 . 2 1 1 A 85 85 PRO HA H 607 4.048 4.631 -0.583 1
1 1063 . 2 1 1 A 85 85 PRO CA C 607 63.608 63.182 0.426 1
1 1064 . 2 1 1 A 85 85 PRO CB C 607 31.291 32.127 -0.836 1
1 1067 . 2 1 1 A 86 86 ILE H H 608 8.326 8.643 -0.317 1
1 1068 . 2 1 1 A 86 86 ILE HA H 608 3.423 4.244 -0.821 1
1 1078 . 2 1 1 A 86 86 ILE CA C 608 63.457 63.783 -0.326 1
1 1079 . 2 1 1 A 86 86 ILE CB C 608 35.800 38.418 -2.618 1
1 1083 . 2 1 1 A 86 86 ILE N N 608 133.106 119.528 13.578 1
1 1084 . 2 1 1 A 87 87 GLY H H 609 8.549 7.967 0.582 1
1 1085 . 2 1 1 A 87 87 GLY HA2 H 609 3.448 3.416 0.032 1
1 1086 . 2 1 1 A 87 87 GLY HA3 H 609 4.101 3.451 0.650 1
1 1087 . 2 1 1 A 87 87 GLY CA C 609 44.556 46.755 -2.199 1
1 1088 . 2 1 1 A 87 87 GLY N N 609 111.653 108.379 3.274 1
1 1089 . 2 1 1 A 88 88 TYR H H 610 7.224 8.233 -1.009 1
1 1090 . 2 1 1 A 88 88 TYR HA H 610 4.437 4.968 -0.531 1
1 1097 . 2 1 1 A 88 88 TYR CA C 610 57.670 56.656 1.014 1
1 1098 . 2 1 1 A 88 88 TYR CB C 610 38.604 40.610 -2.006 1
1 1101 . 2 1 1 A 88 88 TYR N N 610 121.537 123.727 -2.190 1
1 1102 . 2 1 1 A 89 89 VAL H H 611 8.953 7.735 1.218 1
1 1103 . 2 1 1 A 89 89 VAL HA H 611 3.065 3.566 -0.501 1
1 1111 . 2 1 1 A 89 89 VAL CA C 611 70.009 65.913 4.096 1
1 1112 . 2 1 1 A 89 89 VAL CB C 611 30.422 31.117 -0.695 1
1 1115 . 2 1 1 A 89 89 VAL N N 611 128.074 119.820 8.254 1
1 1116 . 2 1 1 A 90 90 THR H H 612 9.348 8.194 1.154 1
1 1117 . 2 1 1 A 90 90 THR HA H 612 3.810 4.002 -0.192 1
1 1122 . 2 1 1 A 90 90 THR CA C 612 64.727 65.534 -0.807 1
1 1123 . 2 1 1 A 90 90 THR CB C 612 68.005 67.856 0.149 1
1 1125 . 2 1 1 A 90 90 THR N N 612 117.972 114.707 3.265 1
1 1126 . 2 1 1 A 91 91 HIS H H 613 7.651 7.706 -0.055 1
1 1127 . 2 1 1 A 91 91 HIS HA H 613 4.685 4.521 0.164 1
1 1131 . 2 1 1 A 91 91 HIS CA C 613 55.419 56.198 -0.779 1
1 1132 . 2 1 1 A 91 91 HIS CB C 613 29.092 30.012 -0.920 1
1 1134 . 2 1 1 A 91 91 HIS N N 613 119.034 118.300 0.734 1
1 1135 . 2 1 1 A 92 92 GLY H H 614 7.655 8.153 -0.498 1
1 1136 . 2 1 1 A 92 92 GLY HA2 H 614 3.665 3.909 -0.244 1
1 1137 . 2 1 1 A 92 92 GLY HA3 H 614 4.095 3.953 0.142 1
1 1138 . 2 1 1 A 92 92 GLY CA C 614 45.035 46.282 -1.247 1
1 1139 . 2 1 1 A 92 92 GLY N N 614 106.031 109.179 -3.148 1
1 1140 . 2 1 1 A 93 93 PHE H H 615 6.716 8.175 -1.459 1
1 1141 . 2 1 1 A 93 93 PHE HA H 615 5.244 4.567 0.677 1
1 1149 . 2 1 1 A 93 93 PHE CA C 615 53.904 58.233 -4.329 1
1 1150 . 2 1 1 A 93 93 PHE CB C 615 38.587 39.769 -1.182 1
1 1154 . 2 1 1 A 93 93 PHE N N 615 116.220 119.218 -2.998 1
1 1155 . 2 1 1 A 94 94 ASN H H 616 9.141 8.642 0.499 1
1 1156 . 2 1 1 A 94 94 ASN HA H 616 4.956 5.226 -0.270 1
1 1161 . 2 1 1 A 94 94 ASN CA C 616 51.278 52.318 -1.040 1
1 1162 . 2 1 1 A 94 94 ASN CB C 616 37.692 39.538 -1.846 1
1 1163 . 2 1 1 A 94 94 ASN N N 616 122.153 119.095 3.058 1
1 1165 . 2 1 1 A 95 95 LEU H H 617 8.684 8.909 -0.225 1
1 1166 . 2 1 1 A 95 95 LEU HA H 617 3.831 3.848 -0.017 1
1 1176 . 2 1 1 A 95 95 LEU CA C 617 58.457 58.102 0.355 1
1 1177 . 2 1 1 A 95 95 LEU CB C 617 41.985 41.400 0.585 1
1 1181 . 2 1 1 A 95 95 LEU N N 617 119.153 121.910 -2.757 1
1 1182 . 2 1 1 A 96 96 GLU H H 618 7.747 8.103 -0.356 1
1 1183 . 2 1 1 A 96 96 GLU HA H 618 2.864 3.804 -0.940 1
1 1188 . 2 1 1 A 96 96 GLU CA C 618 59.402 59.294 0.108 1
1 1189 . 2 1 1 A 96 96 GLU CB C 618 28.323 28.488 -0.165 1
1 1191 . 2 1 1 A 96 96 GLU N N 618 120.199 119.087 1.112 1
1 1192 . 2 1 1 A 97 97 GLU H H 619 8.503 8.040 0.463 1
1 1193 . 2 1 1 A 97 97 GLU HA H 619 3.497 3.927 -0.430 1
1 1198 . 2 1 1 A 97 97 GLU CA C 619 58.251 59.357 -1.106 1
1 1199 . 2 1 1 A 97 97 GLU CB C 619 29.073 28.955 0.118 1
1 1201 . 2 1 1 A 97 97 GLU N N 619 118.988 117.755 1.233 1
1 1202 . 2 1 1 A 98 98 ALA H H 620 8.311 8.490 -0.179 1
1 1203 . 2 1 1 A 98 98 ALA HA H 620 4.211 4.709 -0.498 1
1 1207 . 2 1 1 A 98 98 ALA CA C 620 54.717 55.261 -0.544 1
1 1208 . 2 1 1 A 98 98 ALA CB C 620 18.635 18.107 0.528 1
1 1209 . 2 1 1 A 98 98 ALA N N 620 121.102 123.120 -2.018 1
1 1210 . 2 1 1 A 99 99 ALA H H 621 8.570 8.095 0.475 1
1 1211 . 2 1 1 A 99 99 ALA HA H 621 3.831 3.657 0.174 1
1 1215 . 2 1 1 A 99 99 ALA CA C 621 55.004 55.011 -0.007 1
1 1216 . 2 1 1 A 99 99 ALA CB C 621 18.548 17.774 0.774 1
1 1217 . 2 1 1 A 99 99 ALA N N 621 121.431 120.109 1.322 1
1 1218 . 2 1 1 A 100 100 ARG H H 622 7.646 8.226 -0.580 1
1 1219 . 2 1 1 A 100 100 ARG HA H 622 3.636 4.054 -0.418 1
1 1226 . 2 1 1 A 100 100 ARG CA C 622 59.556 59.910 -0.354 1
1 1227 . 2 1 1 A 100 100 ARG CB C 622 29.420 30.050 -0.630 1
1 1230 . 2 1 1 A 100 100 ARG N N 622 114.812 117.283 -2.471 1
1 1231 . 2 1 1 A 101 101 CYS H H 623 7.503 8.732 -1.229 1
1 1232 . 2 1 1 A 101 101 CYS HA H 623 4.081 4.210 -0.129 1
1 1235 . 2 1 1 A 101 101 CYS CA C 623 62.364 62.760 -0.396 1
1 1236 . 2 1 1 A 101 101 CYS CB C 623 26.301 26.752 -0.451 1
1 1237 . 2 1 1 A 101 101 CYS N N 623 118.667 119.310 -0.643 1
1 1238 . 2 1 1 A 102 102 MET H H 624 8.332 8.457 -0.125 1
1 1239 . 2 1 1 A 102 102 MET HA H 624 4.165 4.230 -0.065 1
1 1247 . 2 1 1 A 102 102 MET CA C 624 55.808 58.183 -2.375 1
1 1248 . 2 1 1 A 102 102 MET CB C 624 30.500 31.778 -1.278 1
1 1251 . 2 1 1 A 102 102 MET N N 624 119.480 119.161 0.319 1
1 1252 . 2 1 1 A 103 103 ARG H H 625 7.505 7.955 -0.450 1
1 1253 . 2 1 1 A 103 103 ARG HA H 625 4.022 4.328 -0.306 1
1 1260 . 2 1 1 A 103 103 ARG CA C 625 58.658 59.029 -0.371 1
1 1261 . 2 1 1 A 103 103 ARG CB C 625 30.413 29.893 0.520 1
1 1264 . 2 1 1 A 103 103 ARG N N 625 120.614 118.949 1.665 1
1 1265 . 2 1 1 A 104 104 SER H H 626 7.635 7.772 -0.137 1
1 1266 . 2 1 1 A 104 104 SER HA H 626 4.278 4.283 -0.005 1
1 1269 . 2 1 1 A 104 104 SER CA C 626 58.925 60.978 -2.053 1
1 1270 . 2 1 1 A 104 104 SER CB C 626 63.785 63.054 0.731 1
1 1271 . 2 1 1 A 104 104 SER N N 626 111.144 114.510 -3.366 1
1 1272 . 2 1 1 A 105 105 LEU H H 627 7.602 7.205 0.397 1
1 1273 . 2 1 1 A 105 105 LEU HA H 627 4.387 4.131 0.256 1
1 1283 . 2 1 1 A 105 105 LEU CA C 627 55.025 55.797 -0.772 1
1 1284 . 2 1 1 A 105 105 LEU CB C 627 42.360 42.576 -0.216 1
1 1288 . 2 1 1 A 105 105 LEU N N 627 125.064 121.078 3.986 1
1 1289 . 2 1 1 A 106 106 LYS H H 628 9.724 8.764 0.960 1
1 1290 . 2 1 1 A 106 106 LYS HA H 628 4.244 4.593 -0.349 1
1 1299 . 2 1 1 A 106 106 LYS CA C 628 54.781 55.649 -0.868 1
1 1300 . 2 1 1 A 106 106 LYS CB C 628 33.456 33.019 0.437 1
1 1304 . 2 1 1 A 106 106 LYS N N 628 128.616 123.351 5.265 1
1 1305 . 2 1 1 A 107 107 ALA H H 629 6.593 7.449 -0.856 1
1 1306 . 2 1 1 A 107 107 ALA HA H 629 4.420 4.659 -0.239 1
1 1310 . 2 1 1 A 107 107 ALA CA C 629 50.003 49.595 0.408 1
1 1311 . 2 1 1 A 107 107 ALA CB C 629 17.219 21.888 -4.669 1
1 1312 . 2 1 1 A 107 107 ALA N N 629 124.084 121.362 2.722 1
1 1313 . 2 1 1 A 108 108 PRO HA H 630 4.302 4.823 -0.521 1
1 1320 . 2 1 1 A 108 108 PRO CA C 630 62.816 62.276 0.540 1
1 1321 . 2 1 1 A 108 108 PRO CB C 630 31.743 30.302 1.441 1
1 1324 . 2 1 1 A 109 109 ALA H H 631 7.898 8.142 -0.244 1
1 1325 . 2 1 1 A 109 109 ALA HA H 631 5.092 4.951 0.141 1
1 1329 . 2 1 1 A 109 109 ALA CA C 631 50.966 50.694 0.272 1
1 1330 . 2 1 1 A 109 109 ALA CB C 631 22.217 20.508 1.709 1
1 1331 . 2 1 1 A 109 109 ALA N N 631 122.466 126.806 -4.340 1
1 1332 . 2 1 1 A 110 110 VAL H H 632 8.071 8.876 -0.805 1
1 1333 . 2 1 1 A 110 110 VAL HA H 632 4.167 4.267 -0.100 1
1 1341 . 2 1 1 A 110 110 VAL CA C 632 61.685 62.973 -1.288 1
1 1342 . 2 1 1 A 110 110 VAL CB C 632 32.856 31.466 1.390 1
1 1345 . 2 1 1 A 110 110 VAL N N 632 125.531 122.564 2.967 1
1 1346 . 2 1 1 A 111 111 VAL H H 633 8.182 8.455 -0.273 1
1 1347 . 2 1 1 A 111 111 VAL HA H 633 4.731 4.781 -0.050 1
1 1355 . 2 1 1 A 111 111 VAL CA C 633 59.473 61.316 -1.843 1
1 1356 . 2 1 1 A 111 111 VAL CB C 633 32.919 33.323 -0.404 1
1 1359 . 2 1 1 A 111 111 VAL N N 633 128.148 128.918 -0.770 1
1 1360 . 2 1 1 A 112 112 SER H H 634 8.591 8.766 -0.175 1
1 1361 . 2 1 1 A 112 112 SER HA H 634 4.920 5.243 -0.323 1
1 1364 . 2 1 1 A 112 112 SER CA C 634 53.905 56.106 -2.201 1
1 1365 . 2 1 1 A 112 112 SER CB C 634 64.651 65.229 -0.578 1
1 1366 . 2 1 1 A 112 112 SER N N 634 119.276 122.394 -3.118 1
1 1367 . 2 1 1 A 113 113 VAL H H 635 8.503 8.414 0.089 1
1 1368 . 2 1 1 A 113 113 VAL HA H 635 4.522 4.327 0.195 1
1 1376 . 2 1 1 A 113 113 VAL CA C 635 59.398 60.798 -1.400 1
1 1377 . 2 1 1 A 113 113 VAL CB C 635 32.548 33.896 -1.348 1
1 1380 . 2 1 1 A 113 113 VAL N N 635 118.886 122.620 -3.734 1
1 1381 . 2 1 1 A 114 114 SER H H 636 8.263 8.959 -0.696 1
1 1382 . 2 1 1 A 114 114 SER HA H 636 3.940 4.560 -0.620 1
1 1385 . 2 1 1 A 114 114 SER CA C 636 61.597 59.168 2.429 1
1 1386 . 2 1 1 A 114 114 SER CB C 636 63.321 64.294 -0.973 1
1 1387 . 2 1 1 A 114 114 SER N N 636 112.710 116.956 -4.246 1
1 1388 . 2 1 1 A 115 115 SER H H 637 7.269 7.407 -0.138 1
1 1389 . 2 1 1 A 115 115 SER HA H 637 4.956 4.959 -0.003 1
1 1392 . 2 1 1 A 115 115 SER CA C 637 55.674 55.407 0.267 1
1 1393 . 2 1 1 A 115 115 SER CB C 637 64.074 65.186 -1.112 1
1 1394 . 2 1 1 A 115 115 SER N N 637 114.537 111.611 2.926 1
1 1395 . 2 1 1 A 116 116 PRO HA H 638 4.186 4.471 -0.285 1
1 1402 . 2 1 1 A 116 116 PRO CA C 638 65.021 64.270 0.751 1
1 1403 . 2 1 1 A 116 116 PRO CB C 638 31.908 31.810 0.098 1
1 1406 . 2 1 1 A 117 117 ASP H H 639 8.161 8.227 -0.066 1
1 1407 . 2 1 1 A 117 117 ASP HA H 639 4.359 4.375 -0.016 1
1 1410 . 2 1 1 A 117 117 ASP CA C 639 55.928 56.858 -0.930 1
1 1411 . 2 1 1 A 117 117 ASP CB C 639 40.088 40.567 -0.479 1
1 1412 . 2 1 1 A 117 117 ASP N N 639 116.310 118.034 -1.724 1
1 1413 . 2 1 1 A 118 118 ALA H H 640 7.596 7.680 -0.084 1
1 1414 . 2 1 1 A 118 118 ALA HA H 640 4.225 4.080 0.145 1
1 1418 . 2 1 1 A 118 118 ALA CA C 640 52.964 55.093 -2.129 1
1 1419 . 2 1 1 A 118 118 ALA CB C 640 18.334 18.578 -0.244 1
1 1420 . 2 1 1 A 118 118 ALA N N 640 121.066 121.245 -0.179 1
1 1421 . 2 1 1 A 119 119 VAL H H 641 7.280 7.969 -0.689 1
1 1422 . 2 1 1 A 119 119 VAL HA H 641 3.221 3.715 -0.494 1
1 1430 . 2 1 1 A 119 119 VAL CA C 641 66.608 65.746 0.862 1
1 1431 . 2 1 1 A 119 119 VAL CB C 641 31.436 31.908 -0.472 1
1 1434 . 2 1 1 A 119 119 VAL N N 641 120.886 117.966 2.920 1
1 1435 . 2 1 1 A 120 120 THR H H 642 7.475 7.639 -0.164 1
1 1436 . 2 1 1 A 120 120 THR HA H 642 3.840 3.912 -0.072 1
1 1441 . 2 1 1 A 120 120 THR CA C 642 65.297 65.717 -0.420 1
1 1442 . 2 1 1 A 120 120 THR CB C 642 68.042 68.423 -0.381 1
1 1444 . 2 1 1 A 120 120 THR N N 642 112.821 116.142 -3.321 1
1 1445 . 2 1 1 A 121 121 THR H H 643 7.328 8.048 -0.720 1
1 1446 . 2 1 1 A 121 121 THR HA H 643 3.477 3.652 -0.175 1
1 1451 . 2 1 1 A 121 121 THR CA C 643 65.341 66.321 -0.980 1
1 1452 . 2 1 1 A 121 121 THR CB C 643 68.196 68.440 -0.244 1
1 1454 . 2 1 1 A 121 121 THR N N 643 119.194 117.229 1.965 1
1 1455 . 2 1 1 A 122 122 TYR H H 644 8.766 8.495 0.271 1
1 1456 . 2 1 1 A 122 122 TYR HA H 644 3.764 4.013 -0.249 1
1 1463 . 2 1 1 A 122 122 TYR CA C 644 62.340 62.043 0.297 1
1 1464 . 2 1 1 A 122 122 TYR CB C 644 39.106 38.597 0.509 1
1 1467 . 2 1 1 A 122 122 TYR N N 644 122.838 120.463 2.375 1
1 1468 . 2 1 1 A 123 123 ASN H H 645 8.290 8.827 -0.537 1
1 1469 . 2 1 1 A 123 123 ASN HA H 645 4.299 4.386 -0.087 1
1 1474 . 2 1 1 A 123 123 ASN CA C 645 55.018 56.077 -1.059 1
1 1475 . 2 1 1 A 123 123 ASN CB C 645 36.967 37.972 -1.005 1
1 1476 . 2 1 1 A 123 123 ASN N N 645 116.356 117.822 -1.466 1
1 1478 . 2 1 1 A 124 124 GLY H H 646 7.768 7.876 -0.108 1
1 1479 . 2 1 1 A 124 124 GLY HA2 H 646 3.639 3.509 0.130 1
1 1480 . 2 1 1 A 124 124 GLY HA3 H 646 3.707 3.605 0.102 1
1 1481 . 2 1 1 A 124 124 GLY CA C 646 46.521 47.130 -0.609 1
1 1482 . 2 1 1 A 124 124 GLY N N 646 108.260 109.132 -0.872 1
1 1483 . 2 1 1 A 125 125 TYR H H 647 7.386 7.598 -0.212 1
1 1484 . 2 1 1 A 125 125 TYR HA H 647 4.608 4.550 0.058 1
1 1491 . 2 1 1 A 125 125 TYR CA C 647 57.204 59.824 -2.620 1
1 1492 . 2 1 1 A 125 125 TYR CB C 647 37.557 37.521 0.036 1
1 1495 . 2 1 1 A 125 125 TYR N N 647 120.587 121.332 -0.745 1
1 1496 . 2 1 1 A 126 126 LEU H H 648 7.802 7.904 -0.102 1
1 1497 . 2 1 1 A 126 126 LEU HA H 648 3.801 3.904 -0.103 1
1 1507 . 2 1 1 A 126 126 LEU CA C 648 56.663 58.201 -1.538 1
1 1508 . 2 1 1 A 126 126 LEU CB C 648 42.298 41.993 0.305 1
1 1512 . 2 1 1 A 126 126 LEU N N 648 119.234 119.778 -0.544 1
1 1513 . 2 1 1 A 127 127 THR H H 649 7.473 8.014 -0.541 1
1 1514 . 2 1 1 A 127 127 THR HA H 649 4.238 4.630 -0.392 1
1 1519 . 2 1 1 A 127 127 THR CA C 649 61.868 61.847 0.021 1
1 1520 . 2 1 1 A 127 127 THR CB C 649 69.451 71.611 -2.160 1
1 1522 . 2 1 1 A 127 127 THR N N 649 108.633 110.557 -1.924 1
1 1523 . 2 1 1 A 128 128 SER H H 650 7.696 8.278 -0.582 1
1 1524 . 2 1 1 A 128 128 SER HA H 650 4.439 3.993 0.446 1
1 1527 . 2 1 1 A 128 128 SER CA C 650 58.451 59.406 -0.955 1
1 1528 . 2 1 1 A 128 128 SER CB C 650 63.763 61.682 2.081 1
1 1529 . 2 1 1 A 128 128 SER N N 650 117.667 115.567 2.100 1
1 1 . 3 1 1 A 2 2 SER HA H -3 4.607 5.512 -0.905 1
1 4 . 3 1 1 A 2 2 SER C C -3 174.489 173.381 1.108 1
1 5 . 3 1 1 A 2 2 SER CA C -3 56.994 56.993 0.001 1
1 6 . 3 1 1 A 2 2 SER CB C -3 64.641 66.941 -2.300 1
1 7 . 3 1 1 A 2 2 SER N N -3 115.970 116.478 -0.508 1
1 8 . 3 1 1 A 3 3 HIS H H -2 8.138 8.864 -0.726 1
1 9 . 3 1 1 A 3 3 HIS HA H -2 4.558 4.927 -0.369 1
1 13 . 3 1 1 A 3 3 HIS C C -2 176.502 172.813 3.689 1
1 14 . 3 1 1 A 3 3 HIS CA C -2 56.164 56.241 -0.077 1
1 15 . 3 1 1 A 3 3 HIS CB C -2 30.643 32.489 -1.846 1
1 17 . 3 1 1 A 3 3 HIS N N -2 122.640 118.552 4.088 1
1 39 . 3 1 1 A 6 6 THR H H 528 7.755 8.662 -0.907 1
1 40 . 3 1 1 A 6 6 THR HA H 528 5.155 4.814 0.341 1
1 45 . 3 1 1 A 6 6 THR C C 528 174.544 174.105 0.439 1
1 46 . 3 1 1 A 6 6 THR CA C 528 60.657 62.438 -1.781 1
1 47 . 3 1 1 A 6 6 THR CB C 528 68.218 70.051 -1.833 1
1 49 . 3 1 1 A 6 6 THR N N 528 118.293 115.502 2.791 1
1 50 . 3 1 1 A 7 7 VAL H H 529 8.966 8.267 0.699 1
1 51 . 3 1 1 A 7 7 VAL HA H 529 4.240 4.708 -0.468 1
1 59 . 3 1 1 A 7 7 VAL C C 529 174.012 175.091 -1.079 1
1 60 . 3 1 1 A 7 7 VAL CA C 529 58.309 58.890 -0.581 1
1 61 . 3 1 1 A 7 7 VAL CB C 529 35.661 35.726 -0.065 1
1 64 . 3 1 1 A 7 7 VAL N N 529 121.381 117.634 3.747 1
1 65 . 3 1 1 A 8 8 SER H H 530 8.193 8.252 -0.059 1
1 66 . 3 1 1 A 8 8 SER HA H 530 4.825 4.615 0.210 1
1 69 . 3 1 1 A 8 8 SER C C 530 172.908 175.065 -2.157 1
1 70 . 3 1 1 A 8 8 SER CA C 530 55.790 57.451 -1.661 1
1 71 . 3 1 1 A 8 8 SER CB C 530 62.800 64.147 -1.347 1
1 72 . 3 1 1 A 8 8 SER N N 530 113.044 114.299 -1.255 1
1 73 . 3 1 1 A 9 9 TRP H H 531 7.595 7.567 0.028 1
1 74 . 3 1 1 A 9 9 TRP HA H 531 5.353 4.685 0.668 1
1 83 . 3 1 1 A 9 9 TRP C C 531 177.031 176.553 0.478 1
1 84 . 3 1 1 A 9 9 TRP CA C 531 51.902 57.872 -5.970 1
1 85 . 3 1 1 A 9 9 TRP CB C 531 32.848 30.286 2.562 1
1 91 . 3 1 1 A 9 9 TRP N N 531 124.627 124.795 -0.168 1
1 93 . 3 1 1 A 10 10 ASN H H 532 9.312 8.983 0.329 1
1 94 . 3 1 1 A 10 10 ASN HA H 532 4.601 4.832 -0.231 1
1 99 . 3 1 1 A 10 10 ASN C C 532 175.214 177.219 -2.005 1
1 100 . 3 1 1 A 10 10 ASN CA C 532 51.428 53.420 -1.992 1
1 101 . 3 1 1 A 10 10 ASN CB C 532 38.140 39.491 -1.351 1
1 102 . 3 1 1 A 10 10 ASN N N 532 121.842 121.107 0.735 1
1 104 . 3 1 1 A 11 11 LEU H H 533 8.503 8.933 -0.430 1
1 105 . 3 1 1 A 11 11 LEU HA H 533 4.086 4.005 0.081 1
1 115 . 3 1 1 A 11 11 LEU C C 533 178.309 179.036 -0.727 1
1 116 . 3 1 1 A 11 11 LEU CA C 533 58.491 57.905 0.586 1
1 117 . 3 1 1 A 11 11 LEU CB C 533 41.525 41.408 0.117 1
1 121 . 3 1 1 A 11 11 LEU N N 533 119.723 123.627 -3.904 1
1 122 . 3 1 1 A 12 12 ARG H H 534 8.057 8.202 -0.145 1
1 123 . 3 1 1 A 12 12 ARG HA H 534 3.840 3.808 0.032 1
1 130 . 3 1 1 A 12 12 ARG C C 534 179.597 179.417 0.180 1
1 131 . 3 1 1 A 12 12 ARG CA C 534 59.873 60.046 -0.173 1
1 132 . 3 1 1 A 12 12 ARG CB C 534 29.076 29.768 -0.692 1
1 135 . 3 1 1 A 12 12 ARG N N 534 117.711 120.887 -3.176 1
1 136 . 3 1 1 A 13 13 GLU H H 535 8.342 8.269 0.073 1
1 137 . 3 1 1 A 13 13 GLU HA H 535 3.724 3.957 -0.233 1
1 142 . 3 1 1 A 13 13 GLU C C 535 179.948 179.730 0.218 1
1 143 . 3 1 1 A 13 13 GLU CA C 535 58.753 59.565 -0.812 1
1 144 . 3 1 1 A 13 13 GLU CB C 535 29.402 29.427 -0.025 1
1 146 . 3 1 1 A 13 13 GLU N N 535 121.501 119.023 2.478 1
1 147 . 3 1 1 A 14 14 MET H H 536 8.684 8.362 0.322 1
1 148 . 3 1 1 A 14 14 MET HA H 536 3.945 4.369 -0.424 1
1 156 . 3 1 1 A 14 14 MET C C 536 177.364 178.986 -1.622 1
1 157 . 3 1 1 A 14 14 MET CA C 536 60.550 58.855 1.695 1
1 158 . 3 1 1 A 14 14 MET CB C 536 34.412 33.133 1.279 1
1 161 . 3 1 1 A 14 14 MET N N 536 120.565 120.022 0.543 1
1 162 . 3 1 1 A 15 15 LEU H H 537 8.731 8.502 0.229 1
1 163 . 3 1 1 A 15 15 LEU HA H 537 3.970 4.019 -0.049 1
1 173 . 3 1 1 A 15 15 LEU C C 537 178.544 178.818 -0.274 1
1 174 . 3 1 1 A 15 15 LEU CA C 537 57.723 58.062 -0.339 1
1 175 . 3 1 1 A 15 15 LEU CB C 537 41.396 41.640 -0.244 1
1 179 . 3 1 1 A 15 15 LEU N N 537 118.710 119.762 -1.052 1
1 180 . 3 1 1 A 16 16 ALA H H 538 7.816 8.462 -0.646 1
1 181 . 3 1 1 A 16 16 ALA HA H 538 4.026 4.083 -0.057 1
1 185 . 3 1 1 A 16 16 ALA C C 538 180.374 179.441 0.933 1
1 186 . 3 1 1 A 16 16 ALA CA C 538 54.734 54.907 -0.173 1
1 187 . 3 1 1 A 16 16 ALA CB C 538 17.670 18.381 -0.711 1
1 188 . 3 1 1 A 16 16 ALA N N 538 120.155 120.531 -0.376 1
1 189 . 3 1 1 A 17 17 HIS H H 539 7.715 8.055 -0.340 1
1 190 . 3 1 1 A 17 17 HIS HA H 539 4.180 4.209 -0.029 1
1 194 . 3 1 1 A 17 17 HIS C C 539 179.167 177.259 1.908 1
1 195 . 3 1 1 A 17 17 HIS CA C 539 59.392 59.620 -0.228 1
1 196 . 3 1 1 A 17 17 HIS CB C 539 29.094 29.598 -0.504 1
1 198 . 3 1 1 A 17 17 HIS N N 539 117.446 117.799 -0.353 1
1 199 . 3 1 1 A 18 18 ALA H H 540 8.995 8.662 0.333 1
1 200 . 3 1 1 A 18 18 ALA HA H 540 3.656 4.119 -0.463 1
1 204 . 3 1 1 A 18 18 ALA C C 540 180.803 179.779 1.024 1
1 205 . 3 1 1 A 18 18 ALA CA C 540 55.762 54.989 0.773 1
1 206 . 3 1 1 A 18 18 ALA CB C 540 18.380 18.140 0.240 1
1 207 . 3 1 1 A 18 18 ALA N N 540 124.222 120.989 3.233 1
1 208 . 3 1 1 A 19 19 GLU H H 541 8.840 8.266 0.574 1
1 209 . 3 1 1 A 19 19 GLU HA H 541 3.695 3.912 -0.217 1
1 214 . 3 1 1 A 19 19 GLU C C 541 178.479 178.874 -0.395 1
1 215 . 3 1 1 A 19 19 GLU CA C 541 59.695 59.756 -0.061 1
1 216 . 3 1 1 A 19 19 GLU CB C 541 29.740 29.184 0.556 1
1 218 . 3 1 1 A 19 19 GLU N N 541 121.086 118.150 2.936 1
1 219 . 3 1 1 A 20 20 GLU H H 542 7.649 8.138 -0.489 1
1 220 . 3 1 1 A 20 20 GLU HA H 542 3.980 4.066 -0.086 1
1 225 . 3 1 1 A 20 20 GLU C C 542 178.212 178.234 -0.022 1
1 226 . 3 1 1 A 20 20 GLU CA C 542 58.593 58.953 -0.360 1
1 227 . 3 1 1 A 20 20 GLU CB C 542 30.293 29.491 0.802 1
1 229 . 3 1 1 A 20 20 GLU N N 542 117.027 119.747 -2.720 1
1 230 . 3 1 1 A 21 21 THR H H 543 7.588 7.706 -0.118 1
1 231 . 3 1 1 A 21 21 THR HA H 543 4.105 4.295 -0.190 1
1 236 . 3 1 1 A 21 21 THR C C 543 175.320 173.923 1.397 1
1 237 . 3 1 1 A 21 21 THR CA C 543 62.110 61.320 0.790 1
1 238 . 3 1 1 A 21 21 THR CB C 543 70.747 68.492 2.255 1
1 240 . 3 1 1 A 21 21 THR N N 543 105.058 106.798 -1.740 1
1 241 . 3 1 1 A 22 22 ARG H H 544 7.678 7.680 -0.002 1
1 242 . 3 1 1 A 22 22 ARG HA H 544 3.925 3.800 0.125 1
1 249 . 3 1 1 A 22 22 ARG C C 544 175.207 175.057 0.150 1
1 250 . 3 1 1 A 22 22 ARG CA C 544 55.996 57.222 -1.226 1
1 251 . 3 1 1 A 22 22 ARG CB C 544 24.959 27.276 -2.317 1
1 254 . 3 1 1 A 22 22 ARG N N 544 116.694 117.113 -0.419 1
1 255 . 3 1 1 A 23 23 LYS H H 545 6.931 7.576 -0.645 1
1 256 . 3 1 1 A 23 23 LYS HA H 545 4.169 4.440 -0.271 1
1 265 . 3 1 1 A 23 23 LYS C C 545 174.855 175.645 -0.790 1
1 266 . 3 1 1 A 23 23 LYS CA C 545 56.339 55.817 0.522 1
1 267 . 3 1 1 A 23 23 LYS CB C 545 36.104 33.301 2.803 1
1 271 . 3 1 1 A 23 23 LYS N N 545 117.744 118.542 -0.798 1
1 272 . 3 1 1 A 24 24 LEU H H 546 7.898 8.351 -0.453 1
1 273 . 3 1 1 A 24 24 LEU HA H 546 4.487 4.661 -0.174 1
1 283 . 3 1 1 A 24 24 LEU C C 546 175.730 175.582 0.148 1
1 284 . 3 1 1 A 24 24 LEU CA C 546 54.171 55.405 -1.234 1
1 285 . 3 1 1 A 24 24 LEU CB C 546 43.228 42.650 0.578 1
1 289 . 3 1 1 A 24 24 LEU N N 546 122.692 123.779 -1.087 1
1 290 . 3 1 1 A 25 25 MET H H 547 8.767 8.804 -0.037 1
1 291 . 3 1 1 A 25 25 MET HA H 547 5.728 5.228 0.500 1
1 299 . 3 1 1 A 25 25 MET CA C 547 51.900 52.395 -0.495 1
1 300 . 3 1 1 A 25 25 MET CB C 547 34.876 34.353 0.523 1
1 303 . 3 1 1 A 25 25 MET N N 547 126.346 126.582 -0.236 1
1 304 . 3 1 1 A 26 26 PRO HA H 548 5.994 5.159 0.835 1
1 311 . 3 1 1 A 26 26 PRO C C 548 176.241 176.237 0.004 1
1 312 . 3 1 1 A 26 26 PRO CA C 548 61.285 62.975 -1.690 1
1 313 . 3 1 1 A 26 26 PRO CB C 548 32.260 32.687 -0.427 1
1 316 . 3 1 1 A 27 27 ILE H H 549 9.054 8.638 0.416 1
1 317 . 3 1 1 A 27 27 ILE HA H 549 4.284 4.649 -0.365 1
1 327 . 3 1 1 A 27 27 ILE C C 549 173.407 174.859 -1.452 1
1 328 . 3 1 1 A 27 27 ILE CA C 549 57.503 59.429 -1.926 1
1 329 . 3 1 1 A 27 27 ILE CB C 549 41.581 41.594 -0.013 1
1 333 . 3 1 1 A 27 27 ILE N N 549 126.281 121.573 4.708 1
1 334 . 3 1 1 A 28 28 CYS H H 550 8.459 8.462 -0.003 1
1 335 . 3 1 1 A 28 28 CYS HA H 550 3.704 3.428 0.276 1
1 339 . 3 1 1 A 28 28 CYS C C 550 174.180 175.712 -1.532 1
1 340 . 3 1 1 A 28 28 CYS CA C 550 56.873 58.436 -1.563 1
1 341 . 3 1 1 A 28 28 CYS CB C 550 27.537 28.107 -0.570 1
1 342 . 3 1 1 A 28 28 CYS N N 550 125.844 125.909 -0.065 1
1 343 . 3 1 1 A 29 29 MET H H 551 8.782 8.727 0.055 1
1 344 . 3 1 1 A 29 29 MET HA H 551 4.637 3.983 0.654 1
1 352 . 3 1 1 A 29 29 MET C C 551 174.613 177.704 -3.091 1
1 353 . 3 1 1 A 29 29 MET CA C 551 56.871 58.299 -1.428 1
1 354 . 3 1 1 A 29 29 MET CB C 551 34.394 31.948 2.446 1
1 357 . 3 1 1 A 29 29 MET N N 551 127.467 126.968 0.499 1
1 358 . 3 1 1 A 30 30 ASP H H 552 7.308 8.197 -0.889 1
1 359 . 3 1 1 A 30 30 ASP HA H 552 4.562 4.365 0.197 1
1 362 . 3 1 1 A 30 30 ASP C C 552 175.386 176.457 -1.071 1
1 363 . 3 1 1 A 30 30 ASP CA C 552 54.371 56.078 -1.707 1
1 364 . 3 1 1 A 30 30 ASP CB C 552 41.751 40.972 0.779 1
1 365 . 3 1 1 A 30 30 ASP N N 552 117.209 120.224 -3.015 1
1 366 . 3 1 1 A 31 31 VAL H H 553 7.257 7.425 -0.168 1
1 367 . 3 1 1 A 31 31 VAL HA H 553 4.057 4.224 -0.167 1
1 375 . 3 1 1 A 31 31 VAL C C 553 175.729 175.792 -0.063 1
1 376 . 3 1 1 A 31 31 VAL CA C 553 61.834 62.125 -0.291 1
1 377 . 3 1 1 A 31 31 VAL CB C 553 30.034 30.086 -0.052 1
1 380 . 3 1 1 A 31 31 VAL N N 553 120.645 118.125 2.520 1
1 381 . 3 1 1 A 32 32 ARG H H 554 8.412 8.139 0.273 1
1 382 . 3 1 1 A 32 32 ARG HA H 554 3.794 3.997 -0.203 1
1 389 . 3 1 1 A 32 32 ARG C C 554 178.819 178.200 0.619 1
1 390 . 3 1 1 A 32 32 ARG CA C 554 59.725 59.615 0.110 1
1 391 . 3 1 1 A 32 32 ARG CB C 554 29.537 29.973 -0.436 1
1 394 . 3 1 1 A 32 32 ARG N N 554 130.554 127.821 2.733 1
1 395 . 3 1 1 A 33 33 ALA H H 555 9.094 7.853 1.241 1
1 396 . 3 1 1 A 33 33 ALA HA H 555 4.081 4.121 -0.040 1
1 400 . 3 1 1 A 33 33 ALA C C 555 180.716 178.929 1.787 1
1 401 . 3 1 1 A 33 33 ALA CA C 555 55.002 54.336 0.666 1
1 402 . 3 1 1 A 33 33 ALA CB C 555 18.462 18.358 0.104 1
1 403 . 3 1 1 A 33 33 ALA N N 555 119.862 120.932 -1.070 1
1 404 . 3 1 1 A 34 34 ILE H H 556 6.620 7.537 -0.917 1
1 405 . 3 1 1 A 34 34 ILE HA H 556 3.745 3.999 -0.254 1
1 415 . 3 1 1 A 34 34 ILE C C 556 177.540 178.028 -0.488 1
1 416 . 3 1 1 A 34 34 ILE CA C 556 64.101 63.969 0.132 1
1 417 . 3 1 1 A 34 34 ILE CB C 556 38.397 38.063 0.334 1
1 421 . 3 1 1 A 34 34 ILE N N 556 116.216 116.632 -0.416 1
1 422 . 3 1 1 A 35 35 MET H H 557 7.619 8.292 -0.673 1
1 423 . 3 1 1 A 35 35 MET HA H 557 4.249 4.092 0.157 1
1 431 . 3 1 1 A 35 35 MET C C 557 178.737 178.478 0.259 1
1 432 . 3 1 1 A 35 35 MET CA C 557 56.113 58.735 -2.622 1
1 433 . 3 1 1 A 35 35 MET CB C 557 29.490 32.317 -2.827 1
1 436 . 3 1 1 A 35 35 MET N N 557 118.017 118.398 -0.381 1
1 437 . 3 1 1 A 36 36 ALA H H 558 8.410 7.990 0.420 1
1 438 . 3 1 1 A 36 36 ALA HA H 558 4.084 4.064 0.020 1
1 442 . 3 1 1 A 36 36 ALA C C 558 180.632 179.661 0.971 1
1 443 . 3 1 1 A 36 36 ALA CA C 558 55.024 55.092 -0.068 1
1 444 . 3 1 1 A 36 36 ALA CB C 558 17.698 18.328 -0.630 1
1 445 . 3 1 1 A 36 36 ALA N N 558 121.592 121.123 0.469 1
1 446 . 3 1 1 A 37 37 THR H H 559 7.294 7.986 -0.692 1
1 447 . 3 1 1 A 37 37 THR HA H 559 3.858 3.883 -0.025 1
1 452 . 3 1 1 A 37 37 THR C C 559 176.419 176.723 -0.304 1
1 453 . 3 1 1 A 37 37 THR CA C 559 66.590 67.363 -0.773 1
1 454 . 3 1 1 A 37 37 THR CB C 559 68.001 68.857 -0.856 1
1 456 . 3 1 1 A 37 37 THR N N 559 115.835 114.878 0.957 1
1 457 . 3 1 1 A 38 38 ILE H H 560 8.109 8.069 0.040 1
1 458 . 3 1 1 A 38 38 ILE HA H 560 3.698 3.745 -0.047 1
1 468 . 3 1 1 A 38 38 ILE C C 560 176.934 178.868 -1.934 1
1 469 . 3 1 1 A 38 38 ILE CA C 560 65.952 65.546 0.406 1
1 470 . 3 1 1 A 38 38 ILE CB C 560 38.252 37.922 0.330 1
1 474 . 3 1 1 A 38 38 ILE N N 560 121.886 121.589 0.297 1
1 475 . 3 1 1 A 39 39 GLN H H 561 8.425 8.605 -0.180 1
1 476 . 3 1 1 A 39 39 GLN HA H 561 3.809 4.390 -0.581 1
1 483 . 3 1 1 A 39 39 GLN C C 561 177.126 179.153 -2.027 1
1 484 . 3 1 1 A 39 39 GLN CA C 561 58.751 58.250 0.501 1
1 485 . 3 1 1 A 39 39 GLN CB C 561 29.255 28.675 0.580 1
1 487 . 3 1 1 A 39 39 GLN N N 561 116.211 117.988 -1.777 1
1 489 . 3 1 1 A 40 40 ARG H H 562 7.334 7.916 -0.582 1
1 490 . 3 1 1 A 40 40 ARG HA H 562 4.092 4.131 -0.039 1
1 497 . 3 1 1 A 40 40 ARG C C 562 177.186 178.817 -1.631 1
1 498 . 3 1 1 A 40 40 ARG CA C 562 57.837 59.367 -1.530 1
1 499 . 3 1 1 A 40 40 ARG CB C 562 30.668 29.995 0.673 1
1 502 . 3 1 1 A 40 40 ARG N N 562 116.464 120.608 -4.144 1
1 503 . 3 1 1 A 41 41 LYS H H 563 7.802 7.602 0.200 1
1 504 . 3 1 1 A 41 41 LYS HA H 563 3.926 4.065 -0.139 1
1 513 . 3 1 1 A 41 41 LYS C C 563 176.735 176.306 0.429 1
1 514 . 3 1 1 A 41 41 LYS CA C 563 57.866 58.327 -0.461 1
1 515 . 3 1 1 A 41 41 LYS CB C 563 33.314 32.768 0.546 1
1 519 . 3 1 1 A 41 41 LYS N N 563 118.658 119.082 -0.424 1
1 520 . 3 1 1 A 42 42 TYR H H 564 8.208 8.296 -0.088 1
1 521 . 3 1 1 A 42 42 TYR HA H 564 4.786 5.320 -0.534 1
1 528 . 3 1 1 A 42 42 TYR C C 564 174.346 175.369 -1.023 1
1 529 . 3 1 1 A 42 42 TYR CA C 564 55.497 56.197 -0.700 1
1 530 . 3 1 1 A 42 42 TYR CB C 564 36.075 38.591 -2.516 1
1 533 . 3 1 1 A 42 42 TYR N N 564 121.157 117.934 3.223 1
1 534 . 3 1 1 A 43 43 LYS H H 565 7.212 8.595 -1.383 1
1 535 . 3 1 1 A 43 43 LYS HA H 565 4.081 4.590 -0.509 1
1 544 . 3 1 1 A 43 43 LYS C C 565 179.082 178.571 0.511 1
1 545 . 3 1 1 A 43 43 LYS CA C 565 58.075 56.793 1.282 1
1 546 . 3 1 1 A 43 43 LYS CB C 565 32.157 33.413 -1.256 1
1 550 . 3 1 1 A 43 43 LYS N N 565 119.412 124.487 -5.075 1
1 551 . 3 1 1 A 44 44 GLY H H 566 9.179 7.960 1.219 1
1 552 . 3 1 1 A 44 44 GLY HA2 H 566 3.607 3.760 -0.153 1
1 553 . 3 1 1 A 44 44 GLY HA3 H 566 4.252 3.797 0.455 1
1 554 . 3 1 1 A 44 44 GLY C C 566 173.990 174.465 -0.475 1
1 555 . 3 1 1 A 44 44 GLY CA C 566 44.860 47.468 -2.608 1
1 556 . 3 1 1 A 44 44 GLY N N 566 114.958 107.661 7.297 1
1 557 . 3 1 1 A 45 45 ILE H H 567 7.604 6.813 0.791 1
1 558 . 3 1 1 A 45 45 ILE HA H 567 2.533 3.797 -1.264 1
1 568 . 3 1 1 A 45 45 ILE C C 567 172.893 175.270 -2.377 1
1 569 . 3 1 1 A 45 45 ILE CA C 567 61.754 61.297 0.457 1
1 570 . 3 1 1 A 45 45 ILE CB C 567 38.302 38.515 -0.213 1
1 574 . 3 1 1 A 45 45 ILE N N 567 122.496 121.339 1.157 1
1 575 . 3 1 1 A 46 46 LYS H H 568 7.733 8.392 -0.659 1
1 576 . 3 1 1 A 46 46 LYS HA H 568 4.307 4.637 -0.330 1
1 585 . 3 1 1 A 46 46 LYS C C 568 174.772 175.757 -0.985 1
1 586 . 3 1 1 A 46 46 LYS CA C 568 54.069 54.394 -0.325 1
1 587 . 3 1 1 A 46 46 LYS CB C 568 31.741 34.935 -3.194 1
1 591 . 3 1 1 A 46 46 LYS N N 568 128.712 127.202 1.510 1
1 592 . 3 1 1 A 47 47 ILE H H 569 8.081 8.317 -0.236 1
1 593 . 3 1 1 A 47 47 ILE HA H 569 3.166 3.811 -0.645 1
1 603 . 3 1 1 A 47 47 ILE CA C 569 61.564 60.907 0.657 1
1 604 . 3 1 1 A 47 47 ILE CB C 569 36.718 37.014 -0.296 1
1 608 . 3 1 1 A 47 47 ILE N N 569 124.424 123.209 1.215 1
1 609 . 3 1 1 A 48 48 GLN H H 570 6.700 8.721 -2.021 1
1 610 . 3 1 1 A 48 48 GLN HA H 570 4.205 4.927 -0.722 1
1 617 . 3 1 1 A 48 48 GLN CA C 570 53.129 54.039 -0.910 1
1 618 . 3 1 1 A 48 48 GLN CB C 570 31.211 31.830 -0.619 1
1 620 . 3 1 1 A 48 48 GLN N N 570 122.748 126.736 -3.988 1
1 622 . 3 1 1 A 49 49 GLU H H 571 8.218 8.625 -0.407 1
1 623 . 3 1 1 A 49 49 GLU HA H 571 3.727 4.478 -0.751 1
1 628 . 3 1 1 A 49 49 GLU CA C 571 57.976 56.513 1.463 1
1 629 . 3 1 1 A 49 49 GLU CB C 571 30.954 28.096 2.858 1
1 631 . 3 1 1 A 49 49 GLU N N 571 116.531 123.869 -7.338 1
1 632 . 3 1 1 A 50 50 GLY H H 572 8.967 7.906 1.061 1
1 633 . 3 1 1 A 50 50 GLY HA2 H 572 2.810 4.228 -1.418 1
1 634 . 3 1 1 A 50 50 GLY HA3 H 572 4.198 4.259 -0.061 1
1 635 . 3 1 1 A 50 50 GLY CA C 572 43.607 45.694 -2.087 1
1 636 . 3 1 1 A 50 50 GLY N N 572 111.469 110.289 1.180 1
1 637 . 3 1 1 A 51 51 ILE H H 573 8.410 8.860 -0.450 1
1 638 . 3 1 1 A 51 51 ILE HA H 573 4.916 4.441 0.475 1
1 648 . 3 1 1 A 51 51 ILE CA C 573 61.137 62.623 -1.486 1
1 649 . 3 1 1 A 51 51 ILE CB C 573 38.165 37.977 0.188 1
1 653 . 3 1 1 A 51 51 ILE N N 573 120.591 122.455 -1.864 1
1 654 . 3 1 1 A 52 52 VAL H H 574 8.900 8.687 0.213 1
1 655 . 3 1 1 A 52 52 VAL HA H 574 4.073 4.943 -0.870 1
1 663 . 3 1 1 A 52 52 VAL CA C 574 62.516 60.997 1.519 1
1 664 . 3 1 1 A 52 52 VAL CB C 574 35.957 34.919 1.038 1
1 667 . 3 1 1 A 52 52 VAL N N 574 131.435 128.499 2.936 1
1 668 . 3 1 1 A 53 53 ASP H H 575 8.731 8.994 -0.263 1
1 669 . 3 1 1 A 53 53 ASP HA H 575 4.953 5.157 -0.204 1
1 672 . 3 1 1 A 53 53 ASP CA C 575 52.137 52.891 -0.754 1
1 673 . 3 1 1 A 53 53 ASP CB C 575 40.659 41.639 -0.980 1
1 674 . 3 1 1 A 53 53 ASP N N 575 126.463 128.342 -1.879 1
1 675 . 3 1 1 A 54 54 TYR H H 576 8.639 8.697 -0.058 1
1 676 . 3 1 1 A 54 54 TYR HA H 576 4.407 4.897 -0.490 1
1 683 . 3 1 1 A 54 54 TYR CA C 576 57.833 57.676 0.157 1
1 684 . 3 1 1 A 54 54 TYR CB C 576 38.634 40.512 -1.878 1
1 687 . 3 1 1 A 54 54 TYR N N 576 131.097 127.050 4.047 1
1 688 . 3 1 1 A 55 55 GLY H H 577 8.388 8.973 -0.585 1
1 689 . 3 1 1 A 55 55 GLY HA2 H 577 3.056 3.873 -0.817 1
1 690 . 3 1 1 A 55 55 GLY HA3 H 577 4.307 4.049 0.258 1
1 691 . 3 1 1 A 55 55 GLY CA C 577 46.347 46.157 0.190 1
1 692 . 3 1 1 A 55 55 GLY N N 577 115.719 116.552 -0.833 1
1 693 . 3 1 1 A 56 56 VAL H H 578 7.143 7.767 -0.624 1
1 694 . 3 1 1 A 56 56 VAL HA H 578 3.410 4.255 -0.845 1
1 702 . 3 1 1 A 56 56 VAL CA C 578 60.335 60.449 -0.114 1
1 703 . 3 1 1 A 56 56 VAL CB C 578 35.027 33.265 1.762 1
1 706 . 3 1 1 A 56 56 VAL N N 578 124.853 120.042 4.811 1
1 707 . 3 1 1 A 57 57 ARG H H 579 8.091 8.163 -0.072 1
1 708 . 3 1 1 A 57 57 ARG HA H 579 4.292 4.531 -0.239 1
1 715 . 3 1 1 A 57 57 ARG CA C 579 55.039 55.538 -0.499 1
1 716 . 3 1 1 A 57 57 ARG CB C 579 29.224 30.749 -1.525 1
1 719 . 3 1 1 A 57 57 ARG N N 579 124.754 126.469 -1.715 1
1 720 . 3 1 1 A 58 58 PHE H H 580 8.499 9.357 -0.858 1
1 721 . 3 1 1 A 58 58 PHE HA H 580 4.647 5.243 -0.596 1
1 729 . 3 1 1 A 58 58 PHE CA C 580 57.563 56.630 0.933 1
1 730 . 3 1 1 A 58 58 PHE CB C 580 42.026 41.653 0.373 1
1 734 . 3 1 1 A 58 58 PHE N N 580 124.105 124.460 -0.355 1
1 735 . 3 1 1 A 59 59 PHE H H 581 7.683 8.621 -0.938 1
1 736 . 3 1 1 A 59 59 PHE HA H 581 4.689 4.991 -0.302 1
1 743 . 3 1 1 A 59 59 PHE CA C 581 56.662 56.857 -0.195 1
1 744 . 3 1 1 A 59 59 PHE CB C 581 41.024 40.128 0.896 1
1 747 . 3 1 1 A 59 59 PHE N N 581 119.707 122.792 -3.085 1
1 748 . 3 1 1 A 60 60 PHE H H 582 8.898 8.506 0.392 1
1 749 . 3 1 1 A 60 60 PHE HA H 582 5.563 4.876 0.687 1
1 757 . 3 1 1 A 60 60 PHE CA C 582 57.615 59.013 -1.398 1
1 758 . 3 1 1 A 60 60 PHE CB C 582 39.539 40.019 -0.480 1
1 762 . 3 1 1 A 60 60 PHE N N 582 127.157 126.363 0.794 1
1 763 . 3 1 1 A 61 61 TYR H H 583 8.441 8.565 -0.124 1
1 764 . 3 1 1 A 61 61 TYR HA H 583 5.301 5.305 -0.004 1
1 771 . 3 1 1 A 61 61 TYR CA C 583 54.556 55.694 -1.138 1
1 772 . 3 1 1 A 61 61 TYR CB C 583 41.444 41.109 0.335 1
1 775 . 3 1 1 A 61 61 TYR N N 583 119.072 118.327 0.745 1
1 776 . 3 1 1 A 62 62 THR H H 584 9.444 8.554 0.890 1
1 777 . 3 1 1 A 62 62 THR HA H 584 4.680 4.933 -0.253 1
1 782 . 3 1 1 A 62 62 THR CA C 584 59.784 59.834 -0.050 1
1 783 . 3 1 1 A 62 62 THR CB C 584 71.274 71.647 -0.373 1
1 785 . 3 1 1 A 62 62 THR N N 584 113.469 113.023 0.446 1
1 786 . 3 1 1 A 63 63 SER H H 585 9.092 9.009 0.083 1
1 787 . 3 1 1 A 63 63 SER HA H 585 4.685 3.807 0.878 1
1 790 . 3 1 1 A 63 63 SER CA C 585 59.665 61.188 -1.523 1
1 791 . 3 1 1 A 63 63 SER CB C 585 62.835 62.402 0.433 1
1 792 . 3 1 1 A 63 63 SER N N 585 114.155 117.374 -3.219 1
1 793 . 3 1 1 A 64 64 LYS H H 586 7.484 7.817 -0.333 1
1 794 . 3 1 1 A 64 64 LYS HA H 586 4.074 4.303 -0.229 1
1 803 . 3 1 1 A 64 64 LYS CA C 586 55.960 59.135 -3.175 1
1 804 . 3 1 1 A 64 64 LYS CB C 586 32.662 32.738 -0.076 1
1 808 . 3 1 1 A 64 64 LYS N N 586 118.230 119.103 -0.873 1
1 809 . 3 1 1 A 65 65 GLU H H 587 7.194 7.647 -0.453 1
1 810 . 3 1 1 A 65 65 GLU HA H 587 4.584 4.487 0.097 1
1 815 . 3 1 1 A 65 65 GLU CA C 587 53.443 54.649 -1.206 1
1 816 . 3 1 1 A 65 65 GLU CB C 587 30.381 30.650 -0.269 1
1 818 . 3 1 1 A 65 65 GLU N N 587 124.837 120.885 3.952 1
1 819 . 3 1 1 A 66 66 PRO HA H 588 4.506 4.578 -0.072 1
1 826 . 3 1 1 A 66 66 PRO CA C 588 62.620 63.157 -0.537 1
1 827 . 3 1 1 A 66 66 PRO CB C 588 32.368 32.157 0.211 1
1 830 . 3 1 1 A 67 67 VAL H H 589 8.545 8.265 0.280 1
1 831 . 3 1 1 A 67 67 VAL HA H 589 3.136 3.213 -0.077 1
1 839 . 3 1 1 A 67 67 VAL CA C 589 66.588 66.323 0.265 1
1 840 . 3 1 1 A 67 67 VAL CB C 589 30.979 31.180 -0.201 1
1 843 . 3 1 1 A 67 67 VAL N N 589 123.156 123.281 -0.125 1
1 844 . 3 1 1 A 68 68 ALA H H 590 8.700 8.457 0.243 1
1 845 . 3 1 1 A 68 68 ALA HA H 590 3.953 3.969 -0.016 1
1 849 . 3 1 1 A 68 68 ALA CA C 590 54.867 55.583 -0.716 1
1 850 . 3 1 1 A 68 68 ALA CB C 590 18.134 18.524 -0.390 1
1 851 . 3 1 1 A 68 68 ALA N N 590 118.895 122.882 -3.987 1
1 852 . 3 1 1 A 69 69 SER H H 591 6.961 7.995 -1.034 1
1 853 . 3 1 1 A 69 69 SER HA H 591 4.195 4.186 0.009 1
1 856 . 3 1 1 A 69 69 SER CA C 591 60.029 61.521 -1.492 1
1 857 . 3 1 1 A 69 69 SER CB C 591 62.045 63.106 -1.061 1
1 858 . 3 1 1 A 69 69 SER N N 591 111.445 112.279 -0.834 1
1 859 . 3 1 1 A 70 70 ILE H H 592 7.386 8.062 -0.676 1
1 860 . 3 1 1 A 70 70 ILE HA H 592 3.361 3.901 -0.540 1
1 870 . 3 1 1 A 70 70 ILE CA C 592 65.332 63.838 1.494 1
1 871 . 3 1 1 A 70 70 ILE CB C 592 38.427 37.533 0.894 1
1 875 . 3 1 1 A 70 70 ILE N N 592 122.407 120.772 1.635 1
1 876 . 3 1 1 A 71 71 ILE H H 593 8.332 7.688 0.644 1
1 877 . 3 1 1 A 71 71 ILE HA H 593 3.256 3.793 -0.537 1
1 887 . 3 1 1 A 71 71 ILE CA C 593 65.023 64.629 0.394 1
1 888 . 3 1 1 A 71 71 ILE CB C 593 36.662 37.915 -1.253 1
1 892 . 3 1 1 A 71 71 ILE N N 593 117.779 121.005 -3.226 1
1 893 . 3 1 1 A 72 72 THR H H 594 7.834 8.172 -0.338 1
1 894 . 3 1 1 A 72 72 THR HA H 594 3.845 3.948 -0.103 1
1 899 . 3 1 1 A 72 72 THR CA C 594 67.376 66.857 0.519 1
1 900 . 3 1 1 A 72 72 THR CB C 594 68.291 68.727 -0.436 1
1 902 . 3 1 1 A 72 72 THR N N 594 117.154 116.298 0.856 1
1 903 . 3 1 1 A 73 73 LYS H H 595 7.803 8.045 -0.242 1
1 904 . 3 1 1 A 73 73 LYS HA H 595 3.936 3.949 -0.013 1
1 913 . 3 1 1 A 73 73 LYS CA C 595 59.853 59.405 0.448 1
1 914 . 3 1 1 A 73 73 LYS CB C 595 32.531 32.152 0.379 1
1 918 . 3 1 1 A 73 73 LYS N N 595 122.657 120.827 1.830 1
1 919 . 3 1 1 A 74 74 LEU H H 596 8.088 8.043 0.045 1
1 920 . 3 1 1 A 74 74 LEU HA H 596 3.681 3.869 -0.188 1
1 930 . 3 1 1 A 74 74 LEU CA C 596 57.217 57.879 -0.662 1
1 931 . 3 1 1 A 74 74 LEU CB C 596 41.122 41.325 -0.203 1
1 935 . 3 1 1 A 74 74 LEU N N 596 119.593 119.814 -0.221 1
1 936 . 3 1 1 A 75 75 ASN H H 597 8.949 8.280 0.669 1
1 937 . 3 1 1 A 75 75 ASN HA H 597 4.471 4.436 0.035 1
1 942 . 3 1 1 A 75 75 ASN CA C 597 54.735 55.854 -1.119 1
1 943 . 3 1 1 A 75 75 ASN CB C 597 37.074 37.653 -0.579 1
1 944 . 3 1 1 A 75 75 ASN N N 597 121.103 119.147 1.956 1
1 946 . 3 1 1 A 76 76 SER H H 598 7.927 8.048 -0.121 1
1 947 . 3 1 1 A 76 76 SER HA H 598 4.137 4.129 0.008 1
1 950 . 3 1 1 A 76 76 SER CA C 598 60.952 61.399 -0.447 1
1 951 . 3 1 1 A 76 76 SER CB C 598 62.516 62.475 0.041 1
1 952 . 3 1 1 A 76 76 SER N N 598 116.716 114.570 2.146 1
1 953 . 3 1 1 A 77 77 LEU H H 599 7.543 7.552 -0.009 1
1 954 . 3 1 1 A 77 77 LEU HA H 599 3.974 3.960 0.014 1
1 964 . 3 1 1 A 77 77 LEU CA C 599 57.200 57.448 -0.248 1
1 965 . 3 1 1 A 77 77 LEU CB C 599 41.749 41.859 -0.110 1
1 969 . 3 1 1 A 77 77 LEU N N 599 121.292 122.287 -0.995 1
1 970 . 3 1 1 A 78 78 ASN H H 600 7.755 8.474 -0.719 1
1 971 . 3 1 1 A 78 78 ASN HA H 600 4.114 4.299 -0.185 1
1 976 . 3 1 1 A 78 78 ASN CA C 600 53.603 54.612 -1.009 1
1 977 . 3 1 1 A 78 78 ASN CB C 600 37.688 38.276 -0.588 1
1 978 . 3 1 1 A 78 78 ASN N N 600 113.272 117.528 -4.256 1
1 980 . 3 1 1 A 79 79 GLU H H 601 8.389 7.889 0.500 1
1 981 . 3 1 1 A 79 79 GLU HA H 601 4.675 4.446 0.229 1
1 986 . 3 1 1 A 79 79 GLU CA C 601 53.418 54.877 -1.459 1
1 987 . 3 1 1 A 79 79 GLU CB C 601 30.704 29.037 1.667 1
1 989 . 3 1 1 A 79 79 GLU N N 601 118.840 120.357 -1.517 1
1 990 . 3 1 1 A 80 80 PRO HA H 602 4.771 4.965 -0.194 1
1 997 . 3 1 1 A 80 80 PRO CA C 602 62.189 62.483 -0.294 1
1 998 . 3 1 1 A 80 80 PRO CB C 602 32.196 32.513 -0.317 1
1 1001 . 3 1 1 A 81 81 LEU H H 603 8.539 8.496 0.043 1
1 1002 . 3 1 1 A 81 81 LEU HA H 603 5.766 5.329 0.437 1
1 1012 . 3 1 1 A 81 81 LEU CA C 603 53.432 53.096 0.336 1
1 1013 . 3 1 1 A 81 81 LEU CB C 603 48.114 45.891 2.223 1
1 1017 . 3 1 1 A 81 81 LEU N N 603 118.455 121.346 -2.891 1
1 1018 . 3 1 1 A 82 82 VAL H H 604 8.322 8.280 0.042 1
1 1019 . 3 1 1 A 82 82 VAL HA H 604 5.110 5.028 0.082 1
1 1027 . 3 1 1 A 82 82 VAL CA C 604 59.609 60.548 -0.939 1
1 1028 . 3 1 1 A 82 82 VAL CB C 604 34.100 34.504 -0.404 1
1 1031 . 3 1 1 A 82 82 VAL N N 604 121.259 120.060 1.199 1
1 1032 . 3 1 1 A 83 83 THR H H 605 8.570 8.612 -0.042 1
1 1033 . 3 1 1 A 83 83 THR HA H 605 5.107 4.766 0.341 1
1 1038 . 3 1 1 A 83 83 THR CA C 605 59.606 60.636 -1.030 1
1 1039 . 3 1 1 A 83 83 THR CB C 605 71.321 70.379 0.942 1
1 1041 . 3 1 1 A 83 83 THR N N 605 117.620 120.937 -3.317 1
1 1042 . 3 1 1 A 84 84 MET H H 606 8.288 8.635 -0.347 1
1 1043 . 3 1 1 A 84 84 MET HA H 606 5.310 4.715 0.595 1
1 1051 . 3 1 1 A 84 84 MET CA C 606 55.491 54.882 0.609 1
1 1052 . 3 1 1 A 84 84 MET CB C 606 31.549 33.205 -1.656 1
1 1055 . 3 1 1 A 84 84 MET N N 606 125.405 122.264 3.141 1
1 1056 . 3 1 1 A 85 85 PRO HA H 607 4.048 4.803 -0.755 1
1 1063 . 3 1 1 A 85 85 PRO CA C 607 63.608 62.754 0.854 1
1 1064 . 3 1 1 A 85 85 PRO CB C 607 31.291 31.819 -0.528 1
1 1067 . 3 1 1 A 86 86 ILE H H 608 8.326 8.568 -0.242 1
1 1068 . 3 1 1 A 86 86 ILE HA H 608 3.423 3.948 -0.525 1
1 1078 . 3 1 1 A 86 86 ILE CA C 608 63.457 64.412 -0.955 1
1 1079 . 3 1 1 A 86 86 ILE CB C 608 35.800 37.966 -2.166 1
1 1083 . 3 1 1 A 86 86 ILE N N 608 133.106 121.761 11.345 1
1 1084 . 3 1 1 A 87 87 GLY H H 609 8.549 7.984 0.565 1
1 1085 . 3 1 1 A 87 87 GLY HA2 H 609 3.448 3.499 -0.051 1
1 1086 . 3 1 1 A 87 87 GLY HA3 H 609 4.101 3.517 0.584 1
1 1087 . 3 1 1 A 87 87 GLY CA C 609 44.556 46.680 -2.124 1
1 1088 . 3 1 1 A 87 87 GLY N N 609 111.653 108.707 2.946 1
1 1089 . 3 1 1 A 88 88 TYR H H 610 7.224 8.348 -1.124 1
1 1090 . 3 1 1 A 88 88 TYR HA H 610 4.437 4.908 -0.471 1
1 1097 . 3 1 1 A 88 88 TYR CA C 610 57.670 56.848 0.822 1
1 1098 . 3 1 1 A 88 88 TYR CB C 610 38.604 40.320 -1.716 1
1 1101 . 3 1 1 A 88 88 TYR N N 610 121.537 123.901 -2.364 1
1 1102 . 3 1 1 A 89 89 VAL H H 611 8.953 8.056 0.897 1
1 1103 . 3 1 1 A 89 89 VAL HA H 611 3.065 3.607 -0.542 1
1 1111 . 3 1 1 A 89 89 VAL CA C 611 70.009 66.011 3.998 1
1 1112 . 3 1 1 A 89 89 VAL CB C 611 30.422 31.157 -0.735 1
1 1115 . 3 1 1 A 89 89 VAL N N 611 128.074 119.874 8.200 1
1 1116 . 3 1 1 A 90 90 THR H H 612 9.348 8.061 1.287 1
1 1117 . 3 1 1 A 90 90 THR HA H 612 3.810 4.100 -0.290 1
1 1122 . 3 1 1 A 90 90 THR CA C 612 64.727 64.469 0.258 1
1 1123 . 3 1 1 A 90 90 THR CB C 612 68.005 68.802 -0.797 1
1 1125 . 3 1 1 A 90 90 THR N N 612 117.972 113.896 4.076 1
1 1126 . 3 1 1 A 91 91 HIS H H 613 7.651 8.111 -0.460 1
1 1127 . 3 1 1 A 91 91 HIS HA H 613 4.685 4.648 0.037 1
1 1131 . 3 1 1 A 91 91 HIS CA C 613 55.419 55.789 -0.370 1
1 1132 . 3 1 1 A 91 91 HIS CB C 613 29.092 30.459 -1.367 1
1 1134 . 3 1 1 A 91 91 HIS N N 613 119.034 118.608 0.426 1
1 1135 . 3 1 1 A 92 92 GLY H H 614 7.655 8.155 -0.500 1
1 1136 . 3 1 1 A 92 92 GLY HA2 H 614 3.665 3.913 -0.248 1
1 1137 . 3 1 1 A 92 92 GLY HA3 H 614 4.095 3.956 0.139 1
1 1138 . 3 1 1 A 92 92 GLY CA C 614 45.035 46.830 -1.795 1
1 1139 . 3 1 1 A 92 92 GLY N N 614 106.031 109.471 -3.440 1
1 1140 . 3 1 1 A 93 93 PHE H H 615 6.716 7.974 -1.258 1
1 1141 . 3 1 1 A 93 93 PHE HA H 615 5.244 4.724 0.520 1
1 1149 . 3 1 1 A 93 93 PHE CA C 615 53.904 57.759 -3.855 1
1 1150 . 3 1 1 A 93 93 PHE CB C 615 38.587 41.574 -2.987 1
1 1154 . 3 1 1 A 93 93 PHE N N 615 116.220 117.886 -1.666 1
1 1155 . 3 1 1 A 94 94 ASN H H 616 9.141 8.962 0.179 1
1 1156 . 3 1 1 A 94 94 ASN HA H 616 4.956 5.173 -0.217 1
1 1161 . 3 1 1 A 94 94 ASN CA C 616 51.278 52.435 -1.157 1
1 1162 . 3 1 1 A 94 94 ASN CB C 616 37.692 39.593 -1.901 1
1 1163 . 3 1 1 A 94 94 ASN N N 616 122.153 120.052 2.101 1
1 1165 . 3 1 1 A 95 95 LEU H H 617 8.684 8.968 -0.284 1
1 1166 . 3 1 1 A 95 95 LEU HA H 617 3.831 4.043 -0.212 1
1 1176 . 3 1 1 A 95 95 LEU CA C 617 58.457 57.997 0.460 1
1 1177 . 3 1 1 A 95 95 LEU CB C 617 41.985 41.712 0.273 1
1 1181 . 3 1 1 A 95 95 LEU N N 617 119.153 126.514 -7.361 1
1 1182 . 3 1 1 A 96 96 GLU H H 618 7.747 8.294 -0.547 1
1 1183 . 3 1 1 A 96 96 GLU HA H 618 2.864 3.022 -0.158 1
1 1188 . 3 1 1 A 96 96 GLU CA C 618 59.402 59.121 0.281 1
1 1189 . 3 1 1 A 96 96 GLU CB C 618 28.323 28.417 -0.094 1
1 1191 . 3 1 1 A 96 96 GLU N N 618 120.199 118.873 1.326 1
1 1192 . 3 1 1 A 97 97 GLU H H 619 8.503 7.981 0.522 1
1 1193 . 3 1 1 A 97 97 GLU HA H 619 3.497 3.884 -0.387 1
1 1198 . 3 1 1 A 97 97 GLU CA C 619 58.251 59.093 -0.842 1
1 1199 . 3 1 1 A 97 97 GLU CB C 619 29.073 29.377 -0.304 1
1 1201 . 3 1 1 A 97 97 GLU N N 619 118.988 117.804 1.184 1
1 1202 . 3 1 1 A 98 98 ALA H H 620 8.311 8.600 -0.289 1
1 1203 . 3 1 1 A 98 98 ALA HA H 620 4.211 4.500 -0.289 1
1 1207 . 3 1 1 A 98 98 ALA CA C 620 54.717 55.401 -0.684 1
1 1208 . 3 1 1 A 98 98 ALA CB C 620 18.635 18.660 -0.025 1
1 1209 . 3 1 1 A 98 98 ALA N N 620 121.102 123.436 -2.334 1
1 1210 . 3 1 1 A 99 99 ALA H H 621 8.570 8.214 0.356 1
1 1211 . 3 1 1 A 99 99 ALA HA H 621 3.831 3.716 0.115 1
1 1215 . 3 1 1 A 99 99 ALA CA C 621 55.004 55.149 -0.145 1
1 1216 . 3 1 1 A 99 99 ALA CB C 621 18.548 17.962 0.586 1
1 1217 . 3 1 1 A 99 99 ALA N N 621 121.431 119.806 1.625 1
1 1218 . 3 1 1 A 100 100 ARG H H 622 7.646 8.279 -0.633 1
1 1219 . 3 1 1 A 100 100 ARG HA H 622 3.636 3.972 -0.336 1
1 1226 . 3 1 1 A 100 100 ARG CA C 622 59.556 58.726 0.830 1
1 1227 . 3 1 1 A 100 100 ARG CB C 622 29.420 30.132 -0.712 1
1 1230 . 3 1 1 A 100 100 ARG N N 622 114.812 117.256 -2.444 1
1 1231 . 3 1 1 A 101 101 CYS H H 623 7.503 8.064 -0.561 1
1 1232 . 3 1 1 A 101 101 CYS HA H 623 4.081 4.259 -0.178 1
1 1235 . 3 1 1 A 101 101 CYS CA C 623 62.364 61.989 0.375 1
1 1236 . 3 1 1 A 101 101 CYS CB C 623 26.301 27.517 -1.216 1
1 1237 . 3 1 1 A 101 101 CYS N N 623 118.667 118.721 -0.054 1
1 1238 . 3 1 1 A 102 102 MET H H 624 8.332 8.856 -0.524 1
1 1239 . 3 1 1 A 102 102 MET HA H 624 4.165 4.274 -0.109 1
1 1247 . 3 1 1 A 102 102 MET CA C 624 55.808 57.903 -2.095 1
1 1248 . 3 1 1 A 102 102 MET CB C 624 30.500 32.108 -1.608 1
1 1251 . 3 1 1 A 102 102 MET N N 624 119.480 119.569 -0.089 1
1 1252 . 3 1 1 A 103 103 ARG H H 625 7.505 8.606 -1.101 1
1 1253 . 3 1 1 A 103 103 ARG HA H 625 4.022 4.180 -0.158 1
1 1260 . 3 1 1 A 103 103 ARG CA C 625 58.658 58.490 0.168 1
1 1261 . 3 1 1 A 103 103 ARG CB C 625 30.413 29.687 0.726 1
1 1264 . 3 1 1 A 103 103 ARG N N 625 120.614 119.211 1.403 1
1 1265 . 3 1 1 A 104 104 SER H H 626 7.635 7.625 0.010 1
1 1266 . 3 1 1 A 104 104 SER HA H 626 4.278 4.486 -0.208 1
1 1269 . 3 1 1 A 104 104 SER CA C 626 58.925 58.806 0.119 1
1 1270 . 3 1 1 A 104 104 SER CB C 626 63.785 63.089 0.696 1
1 1271 . 3 1 1 A 104 104 SER N N 626 111.144 114.226 -3.082 1
1 1272 . 3 1 1 A 105 105 LEU H H 627 7.602 7.512 0.090 1
1 1273 . 3 1 1 A 105 105 LEU HA H 627 4.387 4.309 0.078 1
1 1283 . 3 1 1 A 105 105 LEU CA C 627 55.025 56.005 -0.980 1
1 1284 . 3 1 1 A 105 105 LEU CB C 627 42.360 42.919 -0.559 1
1 1288 . 3 1 1 A 105 105 LEU N N 627 125.064 123.779 1.285 1
1 1289 . 3 1 1 A 106 106 LYS H H 628 9.724 8.952 0.772 1
1 1290 . 3 1 1 A 106 106 LYS HA H 628 4.244 4.625 -0.381 1
1 1299 . 3 1 1 A 106 106 LYS CA C 628 54.781 55.727 -0.946 1
1 1300 . 3 1 1 A 106 106 LYS CB C 628 33.456 32.441 1.015 1
1 1304 . 3 1 1 A 106 106 LYS N N 628 128.616 124.247 4.369 1
1 1305 . 3 1 1 A 107 107 ALA H H 629 6.593 7.463 -0.870 1
1 1306 . 3 1 1 A 107 107 ALA HA H 629 4.420 4.772 -0.352 1
1 1310 . 3 1 1 A 107 107 ALA CA C 629 50.003 49.961 0.042 1
1 1311 . 3 1 1 A 107 107 ALA CB C 629 17.219 21.612 -4.393 1
1 1312 . 3 1 1 A 107 107 ALA N N 629 124.084 122.067 2.017 1
1 1313 . 3 1 1 A 108 108 PRO HA H 630 4.302 4.672 -0.370 1
1 1320 . 3 1 1 A 108 108 PRO CA C 630 62.816 62.597 0.219 1
1 1321 . 3 1 1 A 108 108 PRO CB C 630 31.743 33.301 -1.558 1
1 1324 . 3 1 1 A 109 109 ALA H H 631 7.898 8.270 -0.372 1
1 1325 . 3 1 1 A 109 109 ALA HA H 631 5.092 4.829 0.263 1
1 1329 . 3 1 1 A 109 109 ALA CA C 631 50.966 51.053 -0.087 1
1 1330 . 3 1 1 A 109 109 ALA CB C 631 22.217 23.728 -1.511 1
1 1331 . 3 1 1 A 109 109 ALA N N 631 122.466 119.629 2.837 1
1 1332 . 3 1 1 A 110 110 VAL H H 632 8.071 8.294 -0.223 1
1 1333 . 3 1 1 A 110 110 VAL HA H 632 4.167 4.507 -0.340 1
1 1341 . 3 1 1 A 110 110 VAL CA C 632 61.685 61.362 0.323 1
1 1342 . 3 1 1 A 110 110 VAL CB C 632 32.856 32.861 -0.005 1
1 1345 . 3 1 1 A 110 110 VAL N N 632 125.531 118.609 6.922 1
1 1346 . 3 1 1 A 111 111 VAL H H 633 8.182 8.565 -0.383 1
1 1347 . 3 1 1 A 111 111 VAL HA H 633 4.731 4.397 0.334 1
1 1355 . 3 1 1 A 111 111 VAL CA C 633 59.473 62.806 -3.333 1
1 1356 . 3 1 1 A 111 111 VAL CB C 633 32.919 32.059 0.860 1
1 1359 . 3 1 1 A 111 111 VAL N N 633 128.148 127.790 0.358 1
1 1360 . 3 1 1 A 112 112 SER H H 634 8.591 8.405 0.186 1
1 1361 . 3 1 1 A 112 112 SER HA H 634 4.920 5.263 -0.343 1
1 1364 . 3 1 1 A 112 112 SER CA C 634 53.905 55.532 -1.627 1
1 1365 . 3 1 1 A 112 112 SER CB C 634 64.651 65.708 -1.057 1
1 1366 . 3 1 1 A 112 112 SER N N 634 119.276 121.064 -1.788 1
1 1367 . 3 1 1 A 113 113 VAL H H 635 8.503 8.366 0.137 1
1 1368 . 3 1 1 A 113 113 VAL HA H 635 4.522 4.436 0.086 1
1 1376 . 3 1 1 A 113 113 VAL CA C 635 59.398 58.967 0.431 1
1 1377 . 3 1 1 A 113 113 VAL CB C 635 32.548 35.467 -2.919 1
1 1380 . 3 1 1 A 113 113 VAL N N 635 118.886 119.714 -0.828 1
1 1381 . 3 1 1 A 114 114 SER H H 636 8.263 8.956 -0.693 1
1 1382 . 3 1 1 A 114 114 SER HA H 636 3.940 4.485 -0.545 1
1 1385 . 3 1 1 A 114 114 SER CA C 636 61.597 60.442 1.155 1
1 1386 . 3 1 1 A 114 114 SER CB C 636 63.321 64.215 -0.894 1
1 1387 . 3 1 1 A 114 114 SER N N 636 112.710 116.964 -4.254 1
1 1388 . 3 1 1 A 115 115 SER H H 637 7.269 8.012 -0.743 1
1 1389 . 3 1 1 A 115 115 SER HA H 637 4.956 4.883 0.073 1
1 1392 . 3 1 1 A 115 115 SER CA C 637 55.674 56.161 -0.487 1
1 1393 . 3 1 1 A 115 115 SER CB C 637 64.074 66.122 -2.048 1
1 1394 . 3 1 1 A 115 115 SER N N 637 114.537 113.719 0.818 1
1 1395 . 3 1 1 A 116 116 PRO HA H 638 4.186 4.206 -0.020 1
1 1402 . 3 1 1 A 116 116 PRO CA C 638 65.021 65.509 -0.488 1
1 1403 . 3 1 1 A 116 116 PRO CB C 638 31.908 31.597 0.311 1
1 1406 . 3 1 1 A 117 117 ASP H H 639 8.161 8.510 -0.349 1
1 1407 . 3 1 1 A 117 117 ASP HA H 639 4.359 4.489 -0.130 1
1 1410 . 3 1 1 A 117 117 ASP CA C 639 55.928 56.071 -0.143 1
1 1411 . 3 1 1 A 117 117 ASP CB C 639 40.088 40.136 -0.048 1
1 1412 . 3 1 1 A 117 117 ASP N N 639 116.310 116.167 0.143 1
1 1413 . 3 1 1 A 118 118 ALA H H 640 7.596 7.726 -0.130 1
1 1414 . 3 1 1 A 118 118 ALA HA H 640 4.225 4.348 -0.123 1
1 1418 . 3 1 1 A 118 118 ALA CA C 640 52.964 52.686 0.278 1
1 1419 . 3 1 1 A 118 118 ALA CB C 640 18.334 19.840 -1.506 1
1 1420 . 3 1 1 A 118 118 ALA N N 640 121.066 120.952 0.114 1
1 1421 . 3 1 1 A 119 119 VAL H H 641 7.280 7.711 -0.431 1
1 1422 . 3 1 1 A 119 119 VAL HA H 641 3.221 3.500 -0.279 1
1 1430 . 3 1 1 A 119 119 VAL CA C 641 66.608 67.082 -0.474 1
1 1431 . 3 1 1 A 119 119 VAL CB C 641 31.436 31.597 -0.161 1
1 1434 . 3 1 1 A 119 119 VAL N N 641 120.886 119.726 1.160 1
1 1435 . 3 1 1 A 120 120 THR H H 642 7.475 7.532 -0.057 1
1 1436 . 3 1 1 A 120 120 THR HA H 642 3.840 3.859 -0.019 1
1 1441 . 3 1 1 A 120 120 THR CA C 642 65.297 66.011 -0.714 1
1 1442 . 3 1 1 A 120 120 THR CB C 642 68.042 68.599 -0.557 1
1 1444 . 3 1 1 A 120 120 THR N N 642 112.821 115.717 -2.896 1
1 1445 . 3 1 1 A 121 121 THR H H 643 7.328 8.067 -0.739 1
1 1446 . 3 1 1 A 121 121 THR HA H 643 3.477 3.701 -0.224 1
1 1451 . 3 1 1 A 121 121 THR CA C 643 65.341 66.504 -1.163 1
1 1452 . 3 1 1 A 121 121 THR CB C 643 68.196 68.494 -0.298 1
1 1454 . 3 1 1 A 121 121 THR N N 643 119.194 117.137 2.057 1
1 1455 . 3 1 1 A 122 122 TYR H H 644 8.766 8.279 0.487 1
1 1456 . 3 1 1 A 122 122 TYR HA H 644 3.764 4.056 -0.292 1
1 1463 . 3 1 1 A 122 122 TYR CA C 644 62.340 62.009 0.331 1
1 1464 . 3 1 1 A 122 122 TYR CB C 644 39.106 38.492 0.614 1
1 1467 . 3 1 1 A 122 122 TYR N N 644 122.838 121.185 1.653 1
1 1468 . 3 1 1 A 123 123 ASN H H 645 8.290 8.407 -0.117 1
1 1469 . 3 1 1 A 123 123 ASN HA H 645 4.299 4.418 -0.119 1
1 1474 . 3 1 1 A 123 123 ASN CA C 645 55.018 56.108 -1.090 1
1 1475 . 3 1 1 A 123 123 ASN CB C 645 36.967 37.759 -0.792 1
1 1476 . 3 1 1 A 123 123 ASN N N 645 116.356 117.378 -1.022 1
1 1478 . 3 1 1 A 124 124 GLY H H 646 7.768 8.307 -0.539 1
1 1479 . 3 1 1 A 124 124 GLY HA2 H 646 3.639 3.705 -0.066 1
1 1480 . 3 1 1 A 124 124 GLY HA3 H 646 3.707 3.843 -0.136 1
1 1481 . 3 1 1 A 124 124 GLY CA C 646 46.521 46.669 -0.148 1
1 1482 . 3 1 1 A 124 124 GLY N N 646 108.260 108.301 -0.041 1
1 1483 . 3 1 1 A 125 125 TYR H H 647 7.386 7.450 -0.064 1
1 1484 . 3 1 1 A 125 125 TYR HA H 647 4.608 4.421 0.187 1
1 1491 . 3 1 1 A 125 125 TYR CA C 647 57.204 60.439 -3.235 1
1 1492 . 3 1 1 A 125 125 TYR CB C 647 37.557 39.253 -1.696 1
1 1495 . 3 1 1 A 125 125 TYR N N 647 120.587 121.035 -0.448 1
1 1496 . 3 1 1 A 126 126 LEU H H 648 7.802 7.402 0.400 1
1 1497 . 3 1 1 A 126 126 LEU HA H 648 3.801 4.035 -0.234 1
1 1507 . 3 1 1 A 126 126 LEU CA C 648 56.663 57.511 -0.848 1
1 1508 . 3 1 1 A 126 126 LEU CB C 648 42.298 42.202 0.096 1
1 1512 . 3 1 1 A 126 126 LEU N N 648 119.234 119.533 -0.299 1
1 1513 . 3 1 1 A 127 127 THR H H 649 7.473 7.740 -0.267 1
1 1514 . 3 1 1 A 127 127 THR HA H 649 4.238 4.546 -0.308 1
1 1519 . 3 1 1 A 127 127 THR CA C 649 61.868 60.415 1.453 1
1 1520 . 3 1 1 A 127 127 THR CB C 649 69.451 68.736 0.715 1
1 1522 . 3 1 1 A 127 127 THR N N 649 108.633 106.039 2.594 1
1 1523 . 3 1 1 A 128 128 SER H H 650 7.696 8.617 -0.921 1
1 1524 . 3 1 1 A 128 128 SER HA H 650 4.439 4.731 -0.292 1
1 1527 . 3 1 1 A 128 128 SER CA C 650 58.451 57.124 1.327 1
1 1528 . 3 1 1 A 128 128 SER CB C 650 63.763 63.830 -0.067 1
1 1529 . 3 1 1 A 128 128 SER N N 650 117.667 120.177 -2.510 1
1 1 . 4 1 1 A 2 2 SER HA H -3 4.607 4.906 -0.299 1
1 4 . 4 1 1 A 2 2 SER C C -3 174.489 174.628 -0.139 1
1 5 . 4 1 1 A 2 2 SER CA C -3 56.994 57.712 -0.718 1
1 6 . 4 1 1 A 2 2 SER CB C -3 64.641 64.439 0.202 1
1 7 . 4 1 1 A 2 2 SER N N -3 115.970 115.723 0.247 1
1 8 . 4 1 1 A 3 3 HIS H H -2 8.138 7.867 0.271 1
1 9 . 4 1 1 A 3 3 HIS HA H -2 4.558 4.521 0.037 1
1 13 . 4 1 1 A 3 3 HIS C C -2 176.502 174.232 2.270 1
1 14 . 4 1 1 A 3 3 HIS CA C -2 56.164 56.932 -0.768 1
1 15 . 4 1 1 A 3 3 HIS CB C -2 30.643 30.755 -0.112 1
1 17 . 4 1 1 A 3 3 HIS N N -2 122.640 122.185 0.455 1
1 39 . 4 1 1 A 6 6 THR H H 528 7.755 8.763 -1.008 1
1 40 . 4 1 1 A 6 6 THR HA H 528 5.155 4.463 0.692 1
1 45 . 4 1 1 A 6 6 THR C C 528 174.544 174.290 0.254 1
1 46 . 4 1 1 A 6 6 THR CA C 528 60.657 63.017 -2.360 1
1 47 . 4 1 1 A 6 6 THR CB C 528 68.218 69.463 -1.245 1
1 49 . 4 1 1 A 6 6 THR N N 528 118.293 115.903 2.390 1
1 50 . 4 1 1 A 7 7 VAL H H 529 8.966 8.662 0.304 1
1 51 . 4 1 1 A 7 7 VAL HA H 529 4.240 4.851 -0.611 1
1 59 . 4 1 1 A 7 7 VAL C C 529 174.012 175.043 -1.031 1
1 60 . 4 1 1 A 7 7 VAL CA C 529 58.309 58.654 -0.345 1
1 61 . 4 1 1 A 7 7 VAL CB C 529 35.661 35.564 0.097 1
1 64 . 4 1 1 A 7 7 VAL N N 529 121.381 120.392 0.989 1
1 65 . 4 1 1 A 8 8 SER H H 530 8.193 8.485 -0.292 1
1 66 . 4 1 1 A 8 8 SER HA H 530 4.825 4.802 0.023 1
1 69 . 4 1 1 A 8 8 SER C C 530 172.908 174.786 -1.878 1
1 70 . 4 1 1 A 8 8 SER CA C 530 55.790 56.602 -0.812 1
1 71 . 4 1 1 A 8 8 SER CB C 530 62.800 63.196 -0.396 1
1 72 . 4 1 1 A 8 8 SER N N 530 113.044 115.434 -2.390 1
1 73 . 4 1 1 A 9 9 TRP H H 531 7.595 7.277 0.318 1
1 74 . 4 1 1 A 9 9 TRP HA H 531 5.353 4.728 0.625 1
1 83 . 4 1 1 A 9 9 TRP C C 531 177.031 176.141 0.890 1
1 84 . 4 1 1 A 9 9 TRP CA C 531 51.902 57.229 -5.327 1
1 85 . 4 1 1 A 9 9 TRP CB C 531 32.848 30.071 2.777 1
1 91 . 4 1 1 A 9 9 TRP N N 531 124.627 123.726 0.901 1
1 93 . 4 1 1 A 10 10 ASN H H 532 9.312 8.505 0.807 1
1 94 . 4 1 1 A 10 10 ASN HA H 532 4.601 5.116 -0.515 1
1 99 . 4 1 1 A 10 10 ASN C C 532 175.214 176.364 -1.150 1
1 100 . 4 1 1 A 10 10 ASN CA C 532 51.428 50.976 0.452 1
1 101 . 4 1 1 A 10 10 ASN CB C 532 38.140 40.915 -2.775 1
1 102 . 4 1 1 A 10 10 ASN N N 532 121.842 117.478 4.364 1
1 104 . 4 1 1 A 11 11 LEU H H 533 8.503 8.876 -0.373 1
1 105 . 4 1 1 A 11 11 LEU HA H 533 4.086 4.027 0.059 1
1 115 . 4 1 1 A 11 11 LEU C C 533 178.309 178.361 -0.052 1
1 116 . 4 1 1 A 11 11 LEU CA C 533 58.491 58.176 0.315 1
1 117 . 4 1 1 A 11 11 LEU CB C 533 41.525 41.892 -0.367 1
1 121 . 4 1 1 A 11 11 LEU N N 533 119.723 120.327 -0.604 1
1 122 . 4 1 1 A 12 12 ARG H H 534 8.057 8.329 -0.272 1
1 123 . 4 1 1 A 12 12 ARG HA H 534 3.840 4.082 -0.242 1
1 130 . 4 1 1 A 12 12 ARG C C 534 179.597 179.331 0.266 1
1 131 . 4 1 1 A 12 12 ARG CA C 534 59.873 59.044 0.829 1
1 132 . 4 1 1 A 12 12 ARG CB C 534 29.076 30.063 -0.987 1
1 135 . 4 1 1 A 12 12 ARG N N 534 117.711 119.402 -1.691 1
1 136 . 4 1 1 A 13 13 GLU H H 535 8.342 8.186 0.156 1
1 137 . 4 1 1 A 13 13 GLU HA H 535 3.724 4.013 -0.289 1
1 142 . 4 1 1 A 13 13 GLU C C 535 179.948 179.446 0.502 1
1 143 . 4 1 1 A 13 13 GLU CA C 535 58.753 59.259 -0.506 1
1 144 . 4 1 1 A 13 13 GLU CB C 535 29.402 29.587 -0.185 1
1 146 . 4 1 1 A 13 13 GLU N N 535 121.501 120.029 1.472 1
1 147 . 4 1 1 A 14 14 MET H H 536 8.684 8.313 0.371 1
1 148 . 4 1 1 A 14 14 MET HA H 536 3.945 4.339 -0.394 1
1 156 . 4 1 1 A 14 14 MET C C 536 177.364 178.639 -1.275 1
1 157 . 4 1 1 A 14 14 MET CA C 536 60.550 58.843 1.707 1
1 158 . 4 1 1 A 14 14 MET CB C 536 34.412 32.871 1.541 1
1 161 . 4 1 1 A 14 14 MET N N 536 120.565 120.044 0.521 1
1 162 . 4 1 1 A 15 15 LEU H H 537 8.731 8.344 0.387 1
1 163 . 4 1 1 A 15 15 LEU HA H 537 3.970 4.136 -0.166 1
1 173 . 4 1 1 A 15 15 LEU C C 537 178.544 178.291 0.253 1
1 174 . 4 1 1 A 15 15 LEU CA C 537 57.723 58.606 -0.883 1
1 175 . 4 1 1 A 15 15 LEU CB C 537 41.396 42.173 -0.777 1
1 179 . 4 1 1 A 15 15 LEU N N 537 118.710 121.358 -2.648 1
1 180 . 4 1 1 A 16 16 ALA H H 538 7.816 8.460 -0.644 1
1 181 . 4 1 1 A 16 16 ALA HA H 538 4.026 4.109 -0.083 1
1 185 . 4 1 1 A 16 16 ALA C C 538 180.374 179.779 0.595 1
1 186 . 4 1 1 A 16 16 ALA CA C 538 54.734 54.994 -0.260 1
1 187 . 4 1 1 A 16 16 ALA CB C 538 17.670 17.948 -0.278 1
1 188 . 4 1 1 A 16 16 ALA N N 538 120.155 120.794 -0.639 1
1 189 . 4 1 1 A 17 17 HIS H H 539 7.715 8.216 -0.501 1
1 190 . 4 1 1 A 17 17 HIS HA H 539 4.180 4.201 -0.021 1
1 194 . 4 1 1 A 17 17 HIS C C 539 179.167 177.422 1.745 1
1 195 . 4 1 1 A 17 17 HIS CA C 539 59.392 59.596 -0.204 1
1 196 . 4 1 1 A 17 17 HIS CB C 539 29.094 29.507 -0.413 1
1 198 . 4 1 1 A 17 17 HIS N N 539 117.446 117.881 -0.435 1
1 199 . 4 1 1 A 18 18 ALA H H 540 8.995 8.457 0.538 1
1 200 . 4 1 1 A 18 18 ALA HA H 540 3.656 4.238 -0.582 1
1 204 . 4 1 1 A 18 18 ALA C C 540 180.803 179.283 1.520 1
1 205 . 4 1 1 A 18 18 ALA CA C 540 55.762 54.688 1.074 1
1 206 . 4 1 1 A 18 18 ALA CB C 540 18.380 18.175 0.205 1
1 207 . 4 1 1 A 18 18 ALA N N 540 124.222 120.890 3.332 1
1 208 . 4 1 1 A 19 19 GLU H H 541 8.840 7.817 1.023 1
1 209 . 4 1 1 A 19 19 GLU HA H 541 3.695 4.039 -0.344 1
1 214 . 4 1 1 A 19 19 GLU C C 541 178.479 178.753 -0.274 1
1 215 . 4 1 1 A 19 19 GLU CA C 541 59.695 58.895 0.800 1
1 216 . 4 1 1 A 19 19 GLU CB C 541 29.740 29.532 0.208 1
1 218 . 4 1 1 A 19 19 GLU N N 541 121.086 118.196 2.890 1
1 219 . 4 1 1 A 20 20 GLU H H 542 7.649 7.918 -0.269 1
1 220 . 4 1 1 A 20 20 GLU HA H 542 3.980 4.067 -0.087 1
1 225 . 4 1 1 A 20 20 GLU C C 542 178.212 176.175 2.037 1
1 226 . 4 1 1 A 20 20 GLU CA C 542 58.593 58.507 0.086 1
1 227 . 4 1 1 A 20 20 GLU CB C 542 30.293 29.403 0.890 1
1 229 . 4 1 1 A 20 20 GLU N N 542 117.027 119.334 -2.307 1
1 230 . 4 1 1 A 21 21 THR H H 543 7.588 7.508 0.080 1
1 231 . 4 1 1 A 21 21 THR HA H 543 4.105 4.636 -0.531 1
1 236 . 4 1 1 A 21 21 THR C C 543 175.320 173.608 1.712 1
1 237 . 4 1 1 A 21 21 THR CA C 543 62.110 60.478 1.632 1
1 238 . 4 1 1 A 21 21 THR CB C 543 70.747 70.285 0.462 1
1 240 . 4 1 1 A 21 21 THR N N 543 105.058 109.402 -4.344 1
1 241 . 4 1 1 A 22 22 ARG H H 544 7.678 8.428 -0.750 1
1 242 . 4 1 1 A 22 22 ARG HA H 544 3.925 4.570 -0.645 1
1 249 . 4 1 1 A 22 22 ARG C C 544 175.207 175.178 0.029 1
1 250 . 4 1 1 A 22 22 ARG CA C 544 55.996 55.259 0.737 1
1 251 . 4 1 1 A 22 22 ARG CB C 544 24.959 30.874 -5.915 1
1 254 . 4 1 1 A 22 22 ARG N N 544 116.694 118.851 -2.157 1
1 255 . 4 1 1 A 23 23 LYS H H 545 6.931 7.568 -0.637 1
1 256 . 4 1 1 A 23 23 LYS HA H 545 4.169 4.305 -0.136 1
1 265 . 4 1 1 A 23 23 LYS C C 545 174.855 175.971 -1.116 1
1 266 . 4 1 1 A 23 23 LYS CA C 545 56.339 55.999 0.340 1
1 267 . 4 1 1 A 23 23 LYS CB C 545 36.104 33.092 3.012 1
1 271 . 4 1 1 A 23 23 LYS N N 545 117.744 119.205 -1.461 1
1 272 . 4 1 1 A 24 24 LEU H H 546 7.898 8.289 -0.391 1
1 273 . 4 1 1 A 24 24 LEU HA H 546 4.487 4.395 0.092 1
1 283 . 4 1 1 A 24 24 LEU C C 546 175.730 175.514 0.216 1
1 284 . 4 1 1 A 24 24 LEU CA C 546 54.171 55.921 -1.750 1
1 285 . 4 1 1 A 24 24 LEU CB C 546 43.228 42.297 0.931 1
1 289 . 4 1 1 A 24 24 LEU N N 546 122.692 125.354 -2.662 1
1 290 . 4 1 1 A 25 25 MET H H 547 8.767 8.892 -0.125 1
1 291 . 4 1 1 A 25 25 MET HA H 547 5.728 5.195 0.533 1
1 299 . 4 1 1 A 25 25 MET CA C 547 51.900 52.208 -0.308 1
1 300 . 4 1 1 A 25 25 MET CB C 547 34.876 34.438 0.438 1
1 303 . 4 1 1 A 25 25 MET N N 547 126.346 126.531 -0.185 1
1 304 . 4 1 1 A 26 26 PRO HA H 548 5.994 5.124 0.870 1
1 311 . 4 1 1 A 26 26 PRO C C 548 176.241 176.181 0.060 1
1 312 . 4 1 1 A 26 26 PRO CA C 548 61.285 63.103 -1.818 1
1 313 . 4 1 1 A 26 26 PRO CB C 548 32.260 32.863 -0.603 1
1 316 . 4 1 1 A 27 27 ILE H H 549 9.054 8.812 0.242 1
1 317 . 4 1 1 A 27 27 ILE HA H 549 4.284 4.574 -0.290 1
1 327 . 4 1 1 A 27 27 ILE C C 549 173.407 175.068 -1.661 1
1 328 . 4 1 1 A 27 27 ILE CA C 549 57.503 59.899 -2.396 1
1 329 . 4 1 1 A 27 27 ILE CB C 549 41.581 41.156 0.425 1
1 333 . 4 1 1 A 27 27 ILE N N 549 126.281 121.738 4.543 1
1 334 . 4 1 1 A 28 28 CYS H H 550 8.459 8.576 -0.117 1
1 335 . 4 1 1 A 28 28 CYS HA H 550 3.704 3.573 0.131 1
1 339 . 4 1 1 A 28 28 CYS C C 550 174.180 175.623 -1.443 1
1 340 . 4 1 1 A 28 28 CYS CA C 550 56.873 58.447 -1.574 1
1 341 . 4 1 1 A 28 28 CYS CB C 550 27.537 27.805 -0.268 1
1 342 . 4 1 1 A 28 28 CYS N N 550 125.844 125.789 0.055 1
1 343 . 4 1 1 A 29 29 MET H H 551 8.782 8.376 0.406 1
1 344 . 4 1 1 A 29 29 MET HA H 551 4.637 4.040 0.597 1
1 352 . 4 1 1 A 29 29 MET C C 551 174.613 177.661 -3.048 1
1 353 . 4 1 1 A 29 29 MET CA C 551 56.871 57.734 -0.863 1
1 354 . 4 1 1 A 29 29 MET CB C 551 34.394 31.204 3.190 1
1 357 . 4 1 1 A 29 29 MET N N 551 127.467 126.568 0.899 1
1 358 . 4 1 1 A 30 30 ASP H H 552 7.308 8.183 -0.875 1
1 359 . 4 1 1 A 30 30 ASP HA H 552 4.562 4.368 0.194 1
1 362 . 4 1 1 A 30 30 ASP C C 552 175.386 176.277 -0.891 1
1 363 . 4 1 1 A 30 30 ASP CA C 552 54.371 56.105 -1.734 1
1 364 . 4 1 1 A 30 30 ASP CB C 552 41.751 40.975 0.776 1
1 365 . 4 1 1 A 30 30 ASP N N 552 117.209 120.728 -3.519 1
1 366 . 4 1 1 A 31 31 VAL H H 553 7.257 7.691 -0.434 1
1 367 . 4 1 1 A 31 31 VAL HA H 553 4.057 4.201 -0.144 1
1 375 . 4 1 1 A 31 31 VAL C C 553 175.729 176.878 -1.149 1
1 376 . 4 1 1 A 31 31 VAL CA C 553 61.834 61.700 0.134 1
1 377 . 4 1 1 A 31 31 VAL CB C 553 30.034 30.014 0.020 1
1 380 . 4 1 1 A 31 31 VAL N N 553 120.645 117.785 2.860 1
1 381 . 4 1 1 A 32 32 ARG H H 554 8.412 8.101 0.311 1
1 382 . 4 1 1 A 32 32 ARG HA H 554 3.794 3.993 -0.199 1
1 389 . 4 1 1 A 32 32 ARG C C 554 178.819 177.934 0.885 1
1 390 . 4 1 1 A 32 32 ARG CA C 554 59.725 58.863 0.862 1
1 391 . 4 1 1 A 32 32 ARG CB C 554 29.537 29.789 -0.252 1
1 394 . 4 1 1 A 32 32 ARG N N 554 130.554 125.169 5.385 1
1 395 . 4 1 1 A 33 33 ALA H H 555 9.094 8.102 0.992 1
1 396 . 4 1 1 A 33 33 ALA HA H 555 4.081 4.057 0.024 1
1 400 . 4 1 1 A 33 33 ALA C C 555 180.716 180.702 0.014 1
1 401 . 4 1 1 A 33 33 ALA CA C 555 55.002 55.026 -0.024 1
1 402 . 4 1 1 A 33 33 ALA CB C 555 18.462 18.152 0.310 1
1 403 . 4 1 1 A 33 33 ALA N N 555 119.862 121.840 -1.978 1
1 404 . 4 1 1 A 34 34 ILE H H 556 6.620 7.723 -1.103 1
1 405 . 4 1 1 A 34 34 ILE HA H 556 3.745 3.782 -0.037 1
1 415 . 4 1 1 A 34 34 ILE C C 556 177.540 177.888 -0.348 1
1 416 . 4 1 1 A 34 34 ILE CA C 556 64.101 64.765 -0.664 1
1 417 . 4 1 1 A 34 34 ILE CB C 556 38.397 37.341 1.056 1
1 421 . 4 1 1 A 34 34 ILE N N 556 116.216 119.060 -2.844 1
1 422 . 4 1 1 A 35 35 MET H H 557 7.619 8.107 -0.488 1
1 423 . 4 1 1 A 35 35 MET HA H 557 4.249 4.145 0.104 1
1 431 . 4 1 1 A 35 35 MET C C 557 178.737 178.544 0.193 1
1 432 . 4 1 1 A 35 35 MET CA C 557 56.113 58.826 -2.713 1
1 433 . 4 1 1 A 35 35 MET CB C 557 29.490 31.906 -2.416 1
1 436 . 4 1 1 A 35 35 MET N N 557 118.017 118.495 -0.478 1
1 437 . 4 1 1 A 36 36 ALA H H 558 8.410 7.967 0.443 1
1 438 . 4 1 1 A 36 36 ALA HA H 558 4.084 4.082 0.002 1
1 442 . 4 1 1 A 36 36 ALA C C 558 180.632 179.693 0.939 1
1 443 . 4 1 1 A 36 36 ALA CA C 558 55.024 55.192 -0.168 1
1 444 . 4 1 1 A 36 36 ALA CB C 558 17.698 18.417 -0.719 1
1 445 . 4 1 1 A 36 36 ALA N N 558 121.592 121.167 0.425 1
1 446 . 4 1 1 A 37 37 THR H H 559 7.294 7.517 -0.223 1
1 447 . 4 1 1 A 37 37 THR HA H 559 3.858 4.017 -0.159 1
1 452 . 4 1 1 A 37 37 THR C C 559 176.419 176.690 -0.271 1
1 453 . 4 1 1 A 37 37 THR CA C 559 66.590 66.124 0.466 1
1 454 . 4 1 1 A 37 37 THR CB C 559 68.001 68.471 -0.470 1
1 456 . 4 1 1 A 37 37 THR N N 559 115.835 114.378 1.457 1
1 457 . 4 1 1 A 38 38 ILE H H 560 8.109 7.632 0.477 1
1 458 . 4 1 1 A 38 38 ILE HA H 560 3.698 4.161 -0.463 1
1 468 . 4 1 1 A 38 38 ILE C C 560 176.934 178.906 -1.972 1
1 469 . 4 1 1 A 38 38 ILE CA C 560 65.952 63.885 2.067 1
1 470 . 4 1 1 A 38 38 ILE CB C 560 38.252 38.206 0.046 1
1 474 . 4 1 1 A 38 38 ILE N N 560 121.886 120.830 1.056 1
1 475 . 4 1 1 A 39 39 GLN H H 561 8.425 8.695 -0.270 1
1 476 . 4 1 1 A 39 39 GLN HA H 561 3.809 4.330 -0.521 1
1 483 . 4 1 1 A 39 39 GLN C C 561 177.126 178.703 -1.577 1
1 484 . 4 1 1 A 39 39 GLN CA C 561 58.751 58.497 0.254 1
1 485 . 4 1 1 A 39 39 GLN CB C 561 29.255 28.833 0.422 1
1 487 . 4 1 1 A 39 39 GLN N N 561 116.211 118.083 -1.872 1
1 489 . 4 1 1 A 40 40 ARG H H 562 7.334 8.177 -0.843 1
1 490 . 4 1 1 A 40 40 ARG HA H 562 4.092 4.071 0.021 1
1 497 . 4 1 1 A 40 40 ARG C C 562 177.186 178.071 -0.885 1
1 498 . 4 1 1 A 40 40 ARG CA C 562 57.837 58.873 -1.036 1
1 499 . 4 1 1 A 40 40 ARG CB C 562 30.668 30.100 0.568 1
1 502 . 4 1 1 A 40 40 ARG N N 562 116.464 119.283 -2.819 1
1 503 . 4 1 1 A 41 41 LYS H H 563 7.802 7.829 -0.027 1
1 504 . 4 1 1 A 41 41 LYS HA H 563 3.926 4.040 -0.114 1
1 513 . 4 1 1 A 41 41 LYS C C 563 176.735 176.804 -0.069 1
1 514 . 4 1 1 A 41 41 LYS CA C 563 57.866 58.420 -0.554 1
1 515 . 4 1 1 A 41 41 LYS CB C 563 33.314 33.270 0.044 1
1 519 . 4 1 1 A 41 41 LYS N N 563 118.658 120.137 -1.479 1
1 520 . 4 1 1 A 42 42 TYR H H 564 8.208 8.361 -0.153 1
1 521 . 4 1 1 A 42 42 TYR HA H 564 4.786 4.991 -0.205 1
1 528 . 4 1 1 A 42 42 TYR C C 564 174.346 175.927 -1.581 1
1 529 . 4 1 1 A 42 42 TYR CA C 564 55.497 56.607 -1.110 1
1 530 . 4 1 1 A 42 42 TYR CB C 564 36.075 36.682 -0.607 1
1 533 . 4 1 1 A 42 42 TYR N N 564 121.157 119.166 1.991 1
1 534 . 4 1 1 A 43 43 LYS H H 565 7.212 8.364 -1.152 1
1 535 . 4 1 1 A 43 43 LYS HA H 565 4.081 4.186 -0.105 1
1 544 . 4 1 1 A 43 43 LYS C C 565 179.082 178.861 0.221 1
1 545 . 4 1 1 A 43 43 LYS CA C 565 58.075 59.433 -1.358 1
1 546 . 4 1 1 A 43 43 LYS CB C 565 32.157 32.297 -0.140 1
1 550 . 4 1 1 A 43 43 LYS N N 565 119.412 124.396 -4.984 1
1 551 . 4 1 1 A 44 44 GLY H H 566 9.179 8.068 1.111 1
1 552 . 4 1 1 A 44 44 GLY HA2 H 566 3.607 3.821 -0.214 1
1 553 . 4 1 1 A 44 44 GLY HA3 H 566 4.252 3.855 0.397 1
1 554 . 4 1 1 A 44 44 GLY C C 566 173.990 174.411 -0.421 1
1 555 . 4 1 1 A 44 44 GLY CA C 566 44.860 46.968 -2.108 1
1 556 . 4 1 1 A 44 44 GLY N N 566 114.958 106.545 8.413 1
1 557 . 4 1 1 A 45 45 ILE H H 567 7.604 7.201 0.403 1
1 558 . 4 1 1 A 45 45 ILE HA H 567 2.533 3.667 -1.134 1
1 568 . 4 1 1 A 45 45 ILE C C 567 172.893 175.427 -2.534 1
1 569 . 4 1 1 A 45 45 ILE CA C 567 61.754 61.325 0.429 1
1 570 . 4 1 1 A 45 45 ILE CB C 567 38.302 38.823 -0.521 1
1 574 . 4 1 1 A 45 45 ILE N N 567 122.496 121.445 1.051 1
1 575 . 4 1 1 A 46 46 LYS H H 568 7.733 8.401 -0.668 1
1 576 . 4 1 1 A 46 46 LYS HA H 568 4.307 4.559 -0.252 1
1 585 . 4 1 1 A 46 46 LYS C C 568 174.772 176.443 -1.671 1
1 586 . 4 1 1 A 46 46 LYS CA C 568 54.069 55.257 -1.188 1
1 587 . 4 1 1 A 46 46 LYS CB C 568 31.741 33.652 -1.911 1
1 591 . 4 1 1 A 46 46 LYS N N 568 128.712 128.420 0.292 1
1 592 . 4 1 1 A 47 47 ILE H H 569 8.081 8.344 -0.263 1
1 593 . 4 1 1 A 47 47 ILE HA H 569 3.166 3.543 -0.377 1
1 603 . 4 1 1 A 47 47 ILE CA C 569 61.564 62.170 -0.606 1
1 604 . 4 1 1 A 47 47 ILE CB C 569 36.718 37.797 -1.079 1
1 608 . 4 1 1 A 47 47 ILE N N 569 124.424 124.336 0.088 1
1 609 . 4 1 1 A 48 48 GLN H H 570 6.700 8.744 -2.044 1
1 610 . 4 1 1 A 48 48 GLN HA H 570 4.205 4.710 -0.505 1
1 617 . 4 1 1 A 48 48 GLN CA C 570 53.129 53.972 -0.843 1
1 618 . 4 1 1 A 48 48 GLN CB C 570 31.211 32.056 -0.845 1
1 620 . 4 1 1 A 48 48 GLN N N 570 122.748 126.132 -3.384 1
1 622 . 4 1 1 A 49 49 GLU H H 571 8.218 8.727 -0.509 1
1 623 . 4 1 1 A 49 49 GLU HA H 571 3.727 4.025 -0.298 1
1 628 . 4 1 1 A 49 49 GLU CA C 571 57.976 58.553 -0.577 1
1 629 . 4 1 1 A 49 49 GLU CB C 571 30.954 29.320 1.634 1
1 631 . 4 1 1 A 49 49 GLU N N 571 116.531 122.455 -5.924 1
1 632 . 4 1 1 A 50 50 GLY H H 572 8.967 8.607 0.360 1
1 633 . 4 1 1 A 50 50 GLY HA2 H 572 2.810 3.643 -0.833 1
1 634 . 4 1 1 A 50 50 GLY HA3 H 572 4.198 4.051 0.147 1
1 635 . 4 1 1 A 50 50 GLY CA C 572 43.607 43.616 -0.009 1
1 636 . 4 1 1 A 50 50 GLY N N 572 111.469 109.473 1.996 1
1 637 . 4 1 1 A 51 51 ILE H H 573 8.410 8.689 -0.279 1
1 638 . 4 1 1 A 51 51 ILE HA H 573 4.916 4.471 0.445 1
1 648 . 4 1 1 A 51 51 ILE CA C 573 61.137 62.377 -1.240 1
1 649 . 4 1 1 A 51 51 ILE CB C 573 38.165 37.947 0.218 1
1 653 . 4 1 1 A 51 51 ILE N N 573 120.591 122.274 -1.683 1
1 654 . 4 1 1 A 52 52 VAL H H 574 8.900 9.203 -0.303 1
1 655 . 4 1 1 A 52 52 VAL HA H 574 4.073 4.738 -0.665 1
1 663 . 4 1 1 A 52 52 VAL CA C 574 62.516 61.962 0.554 1
1 664 . 4 1 1 A 52 52 VAL CB C 574 35.957 33.463 2.494 1
1 667 . 4 1 1 A 52 52 VAL N N 574 131.435 129.080 2.355 1
1 668 . 4 1 1 A 53 53 ASP H H 575 8.731 8.815 -0.084 1
1 669 . 4 1 1 A 53 53 ASP HA H 575 4.953 4.878 0.075 1
1 672 . 4 1 1 A 53 53 ASP CA C 575 52.137 54.053 -1.916 1
1 673 . 4 1 1 A 53 53 ASP CB C 575 40.659 39.281 1.378 1
1 674 . 4 1 1 A 53 53 ASP N N 575 126.463 128.271 -1.808 1
1 675 . 4 1 1 A 54 54 TYR H H 576 8.639 8.687 -0.048 1
1 676 . 4 1 1 A 54 54 TYR HA H 576 4.407 4.919 -0.512 1
1 683 . 4 1 1 A 54 54 TYR CA C 576 57.833 57.646 0.187 1
1 684 . 4 1 1 A 54 54 TYR CB C 576 38.634 41.087 -2.453 1
1 687 . 4 1 1 A 54 54 TYR N N 576 131.097 125.041 6.056 1
1 688 . 4 1 1 A 55 55 GLY H H 577 8.388 8.887 -0.499 1
1 689 . 4 1 1 A 55 55 GLY HA2 H 577 3.056 3.844 -0.788 1
1 690 . 4 1 1 A 55 55 GLY HA3 H 577 4.307 3.960 0.347 1
1 691 . 4 1 1 A 55 55 GLY CA C 577 46.347 45.765 0.582 1
1 692 . 4 1 1 A 55 55 GLY N N 577 115.719 116.617 -0.898 1
1 693 . 4 1 1 A 56 56 VAL H H 578 7.143 7.606 -0.463 1
1 694 . 4 1 1 A 56 56 VAL HA H 578 3.410 4.240 -0.830 1
1 702 . 4 1 1 A 56 56 VAL CA C 578 60.335 60.286 0.049 1
1 703 . 4 1 1 A 56 56 VAL CB C 578 35.027 33.588 1.439 1
1 706 . 4 1 1 A 56 56 VAL N N 578 124.853 119.879 4.974 1
1 707 . 4 1 1 A 57 57 ARG H H 579 8.091 8.172 -0.081 1
1 708 . 4 1 1 A 57 57 ARG HA H 579 4.292 4.493 -0.201 1
1 715 . 4 1 1 A 57 57 ARG CA C 579 55.039 55.326 -0.287 1
1 716 . 4 1 1 A 57 57 ARG CB C 579 29.224 30.835 -1.611 1
1 719 . 4 1 1 A 57 57 ARG N N 579 124.754 125.636 -0.882 1
1 720 . 4 1 1 A 58 58 PHE H H 580 8.499 9.123 -0.624 1
1 721 . 4 1 1 A 58 58 PHE HA H 580 4.647 5.195 -0.548 1
1 729 . 4 1 1 A 58 58 PHE CA C 580 57.563 56.439 1.124 1
1 730 . 4 1 1 A 58 58 PHE CB C 580 42.026 42.748 -0.722 1
1 734 . 4 1 1 A 58 58 PHE N N 580 124.105 122.441 1.664 1
1 735 . 4 1 1 A 59 59 PHE H H 581 7.683 8.518 -0.835 1
1 736 . 4 1 1 A 59 59 PHE HA H 581 4.689 5.260 -0.571 1
1 743 . 4 1 1 A 59 59 PHE CA C 581 56.662 56.609 0.053 1
1 744 . 4 1 1 A 59 59 PHE CB C 581 41.024 40.122 0.902 1
1 747 . 4 1 1 A 59 59 PHE N N 581 119.707 122.927 -3.220 1
1 748 . 4 1 1 A 60 60 PHE H H 582 8.898 8.468 0.430 1
1 749 . 4 1 1 A 60 60 PHE HA H 582 5.563 5.059 0.504 1
1 757 . 4 1 1 A 60 60 PHE CA C 582 57.615 58.483 -0.868 1
1 758 . 4 1 1 A 60 60 PHE CB C 582 39.539 40.329 -0.790 1
1 762 . 4 1 1 A 60 60 PHE N N 582 127.157 126.588 0.569 1
1 763 . 4 1 1 A 61 61 TYR H H 583 8.441 9.043 -0.602 1
1 764 . 4 1 1 A 61 61 TYR HA H 583 5.301 5.467 -0.166 1
1 771 . 4 1 1 A 61 61 TYR CA C 583 54.556 55.516 -0.960 1
1 772 . 4 1 1 A 61 61 TYR CB C 583 41.444 41.653 -0.209 1
1 775 . 4 1 1 A 61 61 TYR N N 583 119.072 119.433 -0.361 1
1 776 . 4 1 1 A 62 62 THR H H 584 9.444 8.612 0.832 1
1 777 . 4 1 1 A 62 62 THR HA H 584 4.680 5.022 -0.342 1
1 782 . 4 1 1 A 62 62 THR CA C 584 59.784 60.343 -0.559 1
1 783 . 4 1 1 A 62 62 THR CB C 584 71.274 70.343 0.931 1
1 785 . 4 1 1 A 62 62 THR N N 584 113.469 113.017 0.452 1
1 786 . 4 1 1 A 63 63 SER H H 585 9.092 8.885 0.207 1
1 787 . 4 1 1 A 63 63 SER HA H 585 4.685 4.056 0.629 1
1 790 . 4 1 1 A 63 63 SER CA C 585 59.665 61.018 -1.353 1
1 791 . 4 1 1 A 63 63 SER CB C 585 62.835 62.995 -0.160 1
1 792 . 4 1 1 A 63 63 SER N N 585 114.155 119.197 -5.042 1
1 793 . 4 1 1 A 64 64 LYS H H 586 7.484 7.878 -0.394 1
1 794 . 4 1 1 A 64 64 LYS HA H 586 4.074 4.232 -0.158 1
1 803 . 4 1 1 A 64 64 LYS CA C 586 55.960 58.879 -2.919 1
1 804 . 4 1 1 A 64 64 LYS CB C 586 32.662 32.416 0.246 1
1 808 . 4 1 1 A 64 64 LYS N N 586 118.230 119.452 -1.222 1
1 809 . 4 1 1 A 65 65 GLU H H 587 7.194 7.878 -0.684 1
1 810 . 4 1 1 A 65 65 GLU HA H 587 4.584 4.602 -0.018 1
1 815 . 4 1 1 A 65 65 GLU CA C 587 53.443 54.541 -1.098 1
1 816 . 4 1 1 A 65 65 GLU CB C 587 30.381 30.881 -0.500 1
1 818 . 4 1 1 A 65 65 GLU N N 587 124.837 121.108 3.729 1
1 819 . 4 1 1 A 66 66 PRO HA H 588 4.506 4.552 -0.046 1
1 826 . 4 1 1 A 66 66 PRO CA C 588 62.620 63.230 -0.610 1
1 827 . 4 1 1 A 66 66 PRO CB C 588 32.368 32.636 -0.268 1
1 830 . 4 1 1 A 67 67 VAL H H 589 8.545 8.256 0.289 1
1 831 . 4 1 1 A 67 67 VAL HA H 589 3.136 3.259 -0.123 1
1 839 . 4 1 1 A 67 67 VAL CA C 589 66.588 66.473 0.115 1
1 840 . 4 1 1 A 67 67 VAL CB C 589 30.979 31.274 -0.295 1
1 843 . 4 1 1 A 67 67 VAL N N 589 123.156 123.052 0.104 1
1 844 . 4 1 1 A 68 68 ALA H H 590 8.700 8.479 0.221 1
1 845 . 4 1 1 A 68 68 ALA HA H 590 3.953 3.966 -0.013 1
1 849 . 4 1 1 A 68 68 ALA CA C 590 54.867 55.588 -0.721 1
1 850 . 4 1 1 A 68 68 ALA CB C 590 18.134 18.541 -0.407 1
1 851 . 4 1 1 A 68 68 ALA N N 590 118.895 122.760 -3.865 1
1 852 . 4 1 1 A 69 69 SER H H 591 6.961 7.997 -1.036 1
1 853 . 4 1 1 A 69 69 SER HA H 591 4.195 4.192 0.003 1
1 856 . 4 1 1 A 69 69 SER CA C 591 60.029 61.601 -1.572 1
1 857 . 4 1 1 A 69 69 SER CB C 591 62.045 63.091 -1.046 1
1 858 . 4 1 1 A 69 69 SER N N 591 111.445 112.587 -1.142 1
1 859 . 4 1 1 A 70 70 ILE H H 592 7.386 8.146 -0.760 1
1 860 . 4 1 1 A 70 70 ILE HA H 592 3.361 3.763 -0.402 1
1 870 . 4 1 1 A 70 70 ILE CA C 592 65.332 64.595 0.737 1
1 871 . 4 1 1 A 70 70 ILE CB C 592 38.427 37.443 0.984 1
1 875 . 4 1 1 A 70 70 ILE N N 592 122.407 120.601 1.806 1
1 876 . 4 1 1 A 71 71 ILE H H 593 8.332 8.098 0.234 1
1 877 . 4 1 1 A 71 71 ILE HA H 593 3.256 3.472 -0.216 1
1 887 . 4 1 1 A 71 71 ILE CA C 593 65.023 64.878 0.145 1
1 888 . 4 1 1 A 71 71 ILE CB C 593 36.662 37.630 -0.968 1
1 892 . 4 1 1 A 71 71 ILE N N 593 117.779 121.270 -3.491 1
1 893 . 4 1 1 A 72 72 THR H H 594 7.834 8.417 -0.583 1
1 894 . 4 1 1 A 72 72 THR HA H 594 3.845 3.945 -0.100 1
1 899 . 4 1 1 A 72 72 THR CA C 594 67.376 66.450 0.926 1
1 900 . 4 1 1 A 72 72 THR CB C 594 68.291 68.843 -0.552 1
1 902 . 4 1 1 A 72 72 THR N N 594 117.154 115.561 1.593 1
1 903 . 4 1 1 A 73 73 LYS H H 595 7.803 7.827 -0.024 1
1 904 . 4 1 1 A 73 73 LYS HA H 595 3.936 4.053 -0.117 1
1 913 . 4 1 1 A 73 73 LYS CA C 595 59.853 59.320 0.533 1
1 914 . 4 1 1 A 73 73 LYS CB C 595 32.531 32.538 -0.007 1
1 918 . 4 1 1 A 73 73 LYS N N 595 122.657 120.363 2.294 1
1 919 . 4 1 1 A 74 74 LEU H H 596 8.088 7.728 0.360 1
1 920 . 4 1 1 A 74 74 LEU HA H 596 3.681 3.692 -0.011 1
1 930 . 4 1 1 A 74 74 LEU CA C 596 57.217 57.799 -0.582 1
1 931 . 4 1 1 A 74 74 LEU CB C 596 41.122 41.388 -0.266 1
1 935 . 4 1 1 A 74 74 LEU N N 596 119.593 120.421 -0.828 1
1 936 . 4 1 1 A 75 75 ASN H H 597 8.949 8.329 0.620 1
1 937 . 4 1 1 A 75 75 ASN HA H 597 4.471 4.419 0.052 1
1 942 . 4 1 1 A 75 75 ASN CA C 597 54.735 55.547 -0.812 1
1 943 . 4 1 1 A 75 75 ASN CB C 597 37.074 38.187 -1.113 1
1 944 . 4 1 1 A 75 75 ASN N N 597 121.103 118.747 2.356 1
1 946 . 4 1 1 A 76 76 SER H H 598 7.927 8.228 -0.301 1
1 947 . 4 1 1 A 76 76 SER HA H 598 4.137 4.304 -0.167 1
1 950 . 4 1 1 A 76 76 SER CA C 598 60.952 61.424 -0.472 1
1 951 . 4 1 1 A 76 76 SER CB C 598 62.516 62.825 -0.309 1
1 952 . 4 1 1 A 76 76 SER N N 598 116.716 115.719 0.997 1
1 953 . 4 1 1 A 77 77 LEU H H 599 7.543 7.180 0.363 1
1 954 . 4 1 1 A 77 77 LEU HA H 599 3.974 4.003 -0.029 1
1 964 . 4 1 1 A 77 77 LEU CA C 599 57.200 57.450 -0.250 1
1 965 . 4 1 1 A 77 77 LEU CB C 599 41.749 41.938 -0.189 1
1 969 . 4 1 1 A 77 77 LEU N N 599 121.292 121.486 -0.194 1
1 970 . 4 1 1 A 78 78 ASN H H 600 7.755 8.061 -0.306 1
1 971 . 4 1 1 A 78 78 ASN HA H 600 4.114 4.300 -0.186 1
1 976 . 4 1 1 A 78 78 ASN CA C 600 53.603 54.159 -0.556 1
1 977 . 4 1 1 A 78 78 ASN CB C 600 37.688 37.152 0.536 1
1 978 . 4 1 1 A 78 78 ASN N N 600 113.272 117.974 -4.702 1
1 980 . 4 1 1 A 79 79 GLU H H 601 8.389 7.944 0.445 1
1 981 . 4 1 1 A 79 79 GLU HA H 601 4.675 4.633 0.042 1
1 986 . 4 1 1 A 79 79 GLU CA C 601 53.418 53.463 -0.045 1
1 987 . 4 1 1 A 79 79 GLU CB C 601 30.704 30.012 0.692 1
1 989 . 4 1 1 A 79 79 GLU N N 601 118.840 118.650 0.190 1
1 990 . 4 1 1 A 80 80 PRO HA H 602 4.771 4.937 -0.166 1
1 997 . 4 1 1 A 80 80 PRO CA C 602 62.189 62.443 -0.254 1
1 998 . 4 1 1 A 80 80 PRO CB C 602 32.196 30.923 1.273 1
1 1001 . 4 1 1 A 81 81 LEU H H 603 8.539 8.383 0.156 1
1 1002 . 4 1 1 A 81 81 LEU HA H 603 5.766 4.792 0.974 1
1 1012 . 4 1 1 A 81 81 LEU CA C 603 53.432 54.507 -1.075 1
1 1013 . 4 1 1 A 81 81 LEU CB C 603 48.114 42.511 5.603 1
1 1017 . 4 1 1 A 81 81 LEU N N 603 118.455 123.943 -5.488 1
1 1018 . 4 1 1 A 82 82 VAL H H 604 8.322 8.190 0.132 1
1 1019 . 4 1 1 A 82 82 VAL HA H 604 5.110 4.962 0.148 1
1 1027 . 4 1 1 A 82 82 VAL CA C 604 59.609 60.933 -1.324 1
1 1028 . 4 1 1 A 82 82 VAL CB C 604 34.100 34.233 -0.133 1
1 1031 . 4 1 1 A 82 82 VAL N N 604 121.259 120.674 0.585 1
1 1032 . 4 1 1 A 83 83 THR H H 605 8.570 8.807 -0.237 1
1 1033 . 4 1 1 A 83 83 THR HA H 605 5.107 4.734 0.373 1
1 1038 . 4 1 1 A 83 83 THR CA C 605 59.606 60.199 -0.593 1
1 1039 . 4 1 1 A 83 83 THR CB C 605 71.321 70.596 0.725 1
1 1041 . 4 1 1 A 83 83 THR N N 605 117.620 122.535 -4.915 1
1 1042 . 4 1 1 A 84 84 MET H H 606 8.288 8.695 -0.407 1
1 1043 . 4 1 1 A 84 84 MET HA H 606 5.310 4.544 0.766 1
1 1051 . 4 1 1 A 84 84 MET CA C 606 55.491 55.400 0.091 1
1 1052 . 4 1 1 A 84 84 MET CB C 606 31.549 32.380 -0.831 1
1 1055 . 4 1 1 A 84 84 MET N N 606 125.405 121.729 3.676 1
1 1056 . 4 1 1 A 85 85 PRO HA H 607 4.048 4.684 -0.636 1
1 1063 . 4 1 1 A 85 85 PRO CA C 607 63.608 62.913 0.695 1
1 1064 . 4 1 1 A 85 85 PRO CB C 607 31.291 32.075 -0.784 1
1 1067 . 4 1 1 A 86 86 ILE H H 608 8.326 8.555 -0.229 1
1 1068 . 4 1 1 A 86 86 ILE HA H 608 3.423 4.103 -0.680 1
1 1078 . 4 1 1 A 86 86 ILE CA C 608 63.457 64.110 -0.653 1
1 1079 . 4 1 1 A 86 86 ILE CB C 608 35.800 38.495 -2.695 1
1 1083 . 4 1 1 A 86 86 ILE N N 608 133.106 119.981 13.125 1
1 1084 . 4 1 1 A 87 87 GLY H H 609 8.549 7.974 0.575 1
1 1085 . 4 1 1 A 87 87 GLY HA2 H 609 3.448 3.349 0.099 1
1 1086 . 4 1 1 A 87 87 GLY HA3 H 609 4.101 3.450 0.651 1
1 1087 . 4 1 1 A 87 87 GLY CA C 609 44.556 46.401 -1.845 1
1 1088 . 4 1 1 A 87 87 GLY N N 609 111.653 109.280 2.373 1
1 1089 . 4 1 1 A 88 88 TYR H H 610 7.224 8.557 -1.333 1
1 1090 . 4 1 1 A 88 88 TYR HA H 610 4.437 4.950 -0.513 1
1 1097 . 4 1 1 A 88 88 TYR CA C 610 57.670 56.561 1.109 1
1 1098 . 4 1 1 A 88 88 TYR CB C 610 38.604 40.312 -1.708 1
1 1101 . 4 1 1 A 88 88 TYR N N 610 121.537 124.420 -2.883 1
1 1102 . 4 1 1 A 89 89 VAL H H 611 8.953 7.952 1.001 1
1 1103 . 4 1 1 A 89 89 VAL HA H 611 3.065 3.573 -0.508 1
1 1111 . 4 1 1 A 89 89 VAL CA C 611 70.009 66.264 3.745 1
1 1112 . 4 1 1 A 89 89 VAL CB C 611 30.422 31.483 -1.061 1
1 1115 . 4 1 1 A 89 89 VAL N N 611 128.074 121.935 6.139 1
1 1116 . 4 1 1 A 90 90 THR H H 612 9.348 7.982 1.366 1
1 1117 . 4 1 1 A 90 90 THR HA H 612 3.810 4.075 -0.265 1
1 1122 . 4 1 1 A 90 90 THR CA C 612 64.727 64.875 -0.148 1
1 1123 . 4 1 1 A 90 90 THR CB C 612 68.005 68.604 -0.599 1
1 1125 . 4 1 1 A 90 90 THR N N 612 117.972 112.548 5.424 1
1 1126 . 4 1 1 A 91 91 HIS H H 613 7.651 8.251 -0.600 1
1 1127 . 4 1 1 A 91 91 HIS HA H 613 4.685 4.661 0.024 1
1 1131 . 4 1 1 A 91 91 HIS CA C 613 55.419 56.077 -0.658 1
1 1132 . 4 1 1 A 91 91 HIS CB C 613 29.092 31.139 -2.047 1
1 1134 . 4 1 1 A 91 91 HIS N N 613 119.034 117.569 1.465 1
1 1135 . 4 1 1 A 92 92 GLY H H 614 7.655 7.944 -0.289 1
1 1136 . 4 1 1 A 92 92 GLY HA2 H 614 3.665 3.892 -0.227 1
1 1137 . 4 1 1 A 92 92 GLY HA3 H 614 4.095 3.950 0.145 1
1 1138 . 4 1 1 A 92 92 GLY CA C 614 45.035 46.034 -0.999 1
1 1139 . 4 1 1 A 92 92 GLY N N 614 106.031 109.110 -3.079 1
1 1140 . 4 1 1 A 93 93 PHE H H 615 6.716 8.535 -1.819 1
1 1141 . 4 1 1 A 93 93 PHE HA H 615 5.244 4.575 0.669 1
1 1149 . 4 1 1 A 93 93 PHE CA C 615 53.904 58.130 -4.226 1
1 1150 . 4 1 1 A 93 93 PHE CB C 615 38.587 39.934 -1.347 1
1 1154 . 4 1 1 A 93 93 PHE N N 615 116.220 119.286 -3.066 1
1 1155 . 4 1 1 A 94 94 ASN H H 616 9.141 8.940 0.201 1
1 1156 . 4 1 1 A 94 94 ASN HA H 616 4.956 5.126 -0.170 1
1 1161 . 4 1 1 A 94 94 ASN CA C 616 51.278 52.829 -1.551 1
1 1162 . 4 1 1 A 94 94 ASN CB C 616 37.692 39.407 -1.715 1
1 1163 . 4 1 1 A 94 94 ASN N N 616 122.153 120.094 2.059 1
1 1165 . 4 1 1 A 95 95 LEU H H 617 8.684 8.867 -0.183 1
1 1166 . 4 1 1 A 95 95 LEU HA H 617 3.831 4.013 -0.182 1
1 1176 . 4 1 1 A 95 95 LEU CA C 617 58.457 58.516 -0.059 1
1 1177 . 4 1 1 A 95 95 LEU CB C 617 41.985 41.363 0.622 1
1 1181 . 4 1 1 A 95 95 LEU N N 617 119.153 126.621 -7.468 1
1 1182 . 4 1 1 A 96 96 GLU H H 618 7.747 7.901 -0.154 1
1 1183 . 4 1 1 A 96 96 GLU HA H 618 2.864 3.207 -0.343 1
1 1188 . 4 1 1 A 96 96 GLU CA C 618 59.402 58.745 0.657 1
1 1189 . 4 1 1 A 96 96 GLU CB C 618 28.323 28.604 -0.281 1
1 1191 . 4 1 1 A 96 96 GLU N N 618 120.199 118.379 1.820 1
1 1192 . 4 1 1 A 97 97 GLU H H 619 8.503 7.846 0.657 1
1 1193 . 4 1 1 A 97 97 GLU HA H 619 3.497 3.893 -0.396 1
1 1198 . 4 1 1 A 97 97 GLU CA C 619 58.251 59.047 -0.796 1
1 1199 . 4 1 1 A 97 97 GLU CB C 619 29.073 29.202 -0.129 1
1 1201 . 4 1 1 A 97 97 GLU N N 619 118.988 119.597 -0.609 1
1 1202 . 4 1 1 A 98 98 ALA H H 620 8.311 8.457 -0.146 1
1 1203 . 4 1 1 A 98 98 ALA HA H 620 4.211 4.305 -0.094 1
1 1207 . 4 1 1 A 98 98 ALA CA C 620 54.717 55.195 -0.478 1
1 1208 . 4 1 1 A 98 98 ALA CB C 620 18.635 18.211 0.424 1
1 1209 . 4 1 1 A 98 98 ALA N N 620 121.102 123.493 -2.391 1
1 1210 . 4 1 1 A 99 99 ALA H H 621 8.570 7.837 0.733 1
1 1211 . 4 1 1 A 99 99 ALA HA H 621 3.831 3.668 0.163 1
1 1215 . 4 1 1 A 99 99 ALA CA C 621 55.004 55.025 -0.021 1
1 1216 . 4 1 1 A 99 99 ALA CB C 621 18.548 17.642 0.906 1
1 1217 . 4 1 1 A 99 99 ALA N N 621 121.431 120.201 1.230 1
1 1218 . 4 1 1 A 100 100 ARG H H 622 7.646 7.924 -0.278 1
1 1219 . 4 1 1 A 100 100 ARG HA H 622 3.636 4.023 -0.387 1
1 1226 . 4 1 1 A 100 100 ARG CA C 622 59.556 58.857 0.699 1
1 1227 . 4 1 1 A 100 100 ARG CB C 622 29.420 30.041 -0.621 1
1 1230 . 4 1 1 A 100 100 ARG N N 622 114.812 116.586 -1.774 1
1 1231 . 4 1 1 A 101 101 CYS H H 623 7.503 8.113 -0.610 1
1 1232 . 4 1 1 A 101 101 CYS HA H 623 4.081 4.238 -0.157 1
1 1235 . 4 1 1 A 101 101 CYS CA C 623 62.364 62.279 0.085 1
1 1236 . 4 1 1 A 101 101 CYS CB C 623 26.301 27.391 -1.090 1
1 1237 . 4 1 1 A 101 101 CYS N N 623 118.667 118.834 -0.167 1
1 1238 . 4 1 1 A 102 102 MET H H 624 8.332 8.275 0.057 1
1 1239 . 4 1 1 A 102 102 MET HA H 624 4.165 4.172 -0.007 1
1 1247 . 4 1 1 A 102 102 MET CA C 624 55.808 58.054 -2.246 1
1 1248 . 4 1 1 A 102 102 MET CB C 624 30.500 31.635 -1.135 1
1 1251 . 4 1 1 A 102 102 MET N N 624 119.480 119.257 0.223 1
1 1252 . 4 1 1 A 103 103 ARG H H 625 7.505 7.432 0.073 1
1 1253 . 4 1 1 A 103 103 ARG HA H 625 4.022 4.258 -0.236 1
1 1260 . 4 1 1 A 103 103 ARG CA C 625 58.658 59.053 -0.395 1
1 1261 . 4 1 1 A 103 103 ARG CB C 625 30.413 29.891 0.522 1
1 1264 . 4 1 1 A 103 103 ARG N N 625 120.614 118.859 1.755 1
1 1265 . 4 1 1 A 104 104 SER H H 626 7.635 7.710 -0.075 1
1 1266 . 4 1 1 A 104 104 SER HA H 626 4.278 4.470 -0.192 1
1 1269 . 4 1 1 A 104 104 SER CA C 626 58.925 58.663 0.262 1
1 1270 . 4 1 1 A 104 104 SER CB C 626 63.785 63.375 0.410 1
1 1271 . 4 1 1 A 104 104 SER N N 626 111.144 114.329 -3.185 1
1 1272 . 4 1 1 A 105 105 LEU H H 627 7.602 7.647 -0.045 1
1 1273 . 4 1 1 A 105 105 LEU HA H 627 4.387 4.635 -0.248 1
1 1283 . 4 1 1 A 105 105 LEU CA C 627 55.025 55.247 -0.222 1
1 1284 . 4 1 1 A 105 105 LEU CB C 627 42.360 43.137 -0.777 1
1 1288 . 4 1 1 A 105 105 LEU N N 627 125.064 122.662 2.402 1
1 1289 . 4 1 1 A 106 106 LYS H H 628 9.724 9.203 0.521 1
1 1290 . 4 1 1 A 106 106 LYS HA H 628 4.244 4.672 -0.428 1
1 1299 . 4 1 1 A 106 106 LYS CA C 628 54.781 55.532 -0.751 1
1 1300 . 4 1 1 A 106 106 LYS CB C 628 33.456 33.250 0.206 1
1 1304 . 4 1 1 A 106 106 LYS N N 628 128.616 125.161 3.455 1
1 1305 . 4 1 1 A 107 107 ALA H H 629 6.593 7.490 -0.897 1
1 1306 . 4 1 1 A 107 107 ALA HA H 629 4.420 4.754 -0.334 1
1 1310 . 4 1 1 A 107 107 ALA CA C 629 50.003 49.909 0.094 1
1 1311 . 4 1 1 A 107 107 ALA CB C 629 17.219 22.066 -4.847 1
1 1312 . 4 1 1 A 107 107 ALA N N 629 124.084 121.367 2.717 1
1 1313 . 4 1 1 A 108 108 PRO HA H 630 4.302 4.684 -0.382 1
1 1320 . 4 1 1 A 108 108 PRO CA C 630 62.816 62.550 0.266 1
1 1321 . 4 1 1 A 108 108 PRO CB C 630 31.743 33.132 -1.389 1
1 1324 . 4 1 1 A 109 109 ALA H H 631 7.898 8.106 -0.208 1
1 1325 . 4 1 1 A 109 109 ALA HA H 631 5.092 4.794 0.298 1
1 1329 . 4 1 1 A 109 109 ALA CA C 631 50.966 50.922 0.044 1
1 1330 . 4 1 1 A 109 109 ALA CB C 631 22.217 23.912 -1.695 1
1 1331 . 4 1 1 A 109 109 ALA N N 631 122.466 118.214 4.252 1
1 1332 . 4 1 1 A 110 110 VAL H H 632 8.071 8.470 -0.399 1
1 1333 . 4 1 1 A 110 110 VAL HA H 632 4.167 4.411 -0.244 1
1 1341 . 4 1 1 A 110 110 VAL CA C 632 61.685 61.354 0.331 1
1 1342 . 4 1 1 A 110 110 VAL CB C 632 32.856 32.455 0.401 1
1 1345 . 4 1 1 A 110 110 VAL N N 632 125.531 118.909 6.622 1
1 1346 . 4 1 1 A 111 111 VAL H H 633 8.182 8.692 -0.510 1
1 1347 . 4 1 1 A 111 111 VAL HA H 633 4.731 4.419 0.312 1
1 1355 . 4 1 1 A 111 111 VAL CA C 633 59.473 61.770 -2.297 1
1 1356 . 4 1 1 A 111 111 VAL CB C 633 32.919 32.094 0.825 1
1 1359 . 4 1 1 A 111 111 VAL N N 633 128.148 128.664 -0.516 1
1 1360 . 4 1 1 A 112 112 SER H H 634 8.591 8.580 0.011 1
1 1361 . 4 1 1 A 112 112 SER HA H 634 4.920 5.352 -0.432 1
1 1364 . 4 1 1 A 112 112 SER CA C 634 53.905 56.210 -2.305 1
1 1365 . 4 1 1 A 112 112 SER CB C 634 64.651 66.601 -1.950 1
1 1366 . 4 1 1 A 112 112 SER N N 634 119.276 120.376 -1.100 1
1 1367 . 4 1 1 A 113 113 VAL H H 635 8.503 8.078 0.425 1
1 1368 . 4 1 1 A 113 113 VAL HA H 635 4.522 4.474 0.048 1
1 1376 . 4 1 1 A 113 113 VAL CA C 635 59.398 59.002 0.396 1
1 1377 . 4 1 1 A 113 113 VAL CB C 635 32.548 35.206 -2.658 1
1 1380 . 4 1 1 A 113 113 VAL N N 635 118.886 119.404 -0.518 1
1 1381 . 4 1 1 A 114 114 SER H H 636 8.263 8.653 -0.390 1
1 1382 . 4 1 1 A 114 114 SER HA H 636 3.940 4.258 -0.318 1
1 1385 . 4 1 1 A 114 114 SER CA C 636 61.597 62.050 -0.453 1
1 1386 . 4 1 1 A 114 114 SER CB C 636 63.321 63.172 0.149 1
1 1387 . 4 1 1 A 114 114 SER N N 636 112.710 117.948 -5.238 1
1 1388 . 4 1 1 A 115 115 SER H H 637 7.269 7.955 -0.686 1
1 1389 . 4 1 1 A 115 115 SER HA H 637 4.956 4.906 0.050 1
1 1392 . 4 1 1 A 115 115 SER CA C 637 55.674 55.857 -0.183 1
1 1393 . 4 1 1 A 115 115 SER CB C 637 64.074 66.201 -2.127 1
1 1394 . 4 1 1 A 115 115 SER N N 637 114.537 113.807 0.730 1
1 1395 . 4 1 1 A 116 116 PRO HA H 638 4.186 4.368 -0.182 1
1 1402 . 4 1 1 A 116 116 PRO CA C 638 65.021 64.891 0.130 1
1 1403 . 4 1 1 A 116 116 PRO CB C 638 31.908 32.085 -0.177 1
1 1406 . 4 1 1 A 117 117 ASP H H 639 8.161 8.284 -0.123 1
1 1407 . 4 1 1 A 117 117 ASP HA H 639 4.359 4.356 0.003 1
1 1410 . 4 1 1 A 117 117 ASP CA C 639 55.928 57.064 -1.136 1
1 1411 . 4 1 1 A 117 117 ASP CB C 639 40.088 40.214 -0.126 1
1 1412 . 4 1 1 A 117 117 ASP N N 639 116.310 116.995 -0.685 1
1 1413 . 4 1 1 A 118 118 ALA H H 640 7.596 7.904 -0.308 1
1 1414 . 4 1 1 A 118 118 ALA HA H 640 4.225 4.144 0.081 1
1 1418 . 4 1 1 A 118 118 ALA CA C 640 52.964 54.602 -1.638 1
1 1419 . 4 1 1 A 118 118 ALA CB C 640 18.334 18.452 -0.118 1
1 1420 . 4 1 1 A 118 118 ALA N N 640 121.066 122.341 -1.275 1
1 1421 . 4 1 1 A 119 119 VAL H H 641 7.280 7.703 -0.423 1
1 1422 . 4 1 1 A 119 119 VAL HA H 641 3.221 3.494 -0.273 1
1 1430 . 4 1 1 A 119 119 VAL CA C 641 66.608 67.080 -0.472 1
1 1431 . 4 1 1 A 119 119 VAL CB C 641 31.436 31.566 -0.130 1
1 1434 . 4 1 1 A 119 119 VAL N N 641 120.886 119.313 1.573 1
1 1435 . 4 1 1 A 120 120 THR H H 642 7.475 7.906 -0.431 1
1 1436 . 4 1 1 A 120 120 THR HA H 642 3.840 3.909 -0.069 1
1 1441 . 4 1 1 A 120 120 THR CA C 642 65.297 66.099 -0.802 1
1 1442 . 4 1 1 A 120 120 THR CB C 642 68.042 68.833 -0.791 1
1 1444 . 4 1 1 A 120 120 THR N N 642 112.821 116.028 -3.207 1
1 1445 . 4 1 1 A 121 121 THR H H 643 7.328 7.749 -0.421 1
1 1446 . 4 1 1 A 121 121 THR HA H 643 3.477 3.685 -0.208 1
1 1451 . 4 1 1 A 121 121 THR CA C 643 65.341 66.580 -1.239 1
1 1452 . 4 1 1 A 121 121 THR CB C 643 68.196 68.399 -0.203 1
1 1454 . 4 1 1 A 121 121 THR N N 643 119.194 116.193 3.001 1
1 1455 . 4 1 1 A 122 122 TYR H H 644 8.766 8.378 0.388 1
1 1456 . 4 1 1 A 122 122 TYR HA H 644 3.764 4.171 -0.407 1
1 1463 . 4 1 1 A 122 122 TYR CA C 644 62.340 61.735 0.605 1
1 1464 . 4 1 1 A 122 122 TYR CB C 644 39.106 38.417 0.689 1
1 1467 . 4 1 1 A 122 122 TYR N N 644 122.838 121.330 1.508 1
1 1468 . 4 1 1 A 123 123 ASN H H 645 8.290 8.525 -0.235 1
1 1469 . 4 1 1 A 123 123 ASN HA H 645 4.299 4.525 -0.226 1
1 1474 . 4 1 1 A 123 123 ASN CA C 645 55.018 56.231 -1.213 1
1 1475 . 4 1 1 A 123 123 ASN CB C 645 36.967 37.916 -0.949 1
1 1476 . 4 1 1 A 123 123 ASN N N 645 116.356 117.624 -1.268 1
1 1478 . 4 1 1 A 124 124 GLY H H 646 7.768 8.224 -0.456 1
1 1479 . 4 1 1 A 124 124 GLY HA2 H 646 3.639 3.526 0.113 1
1 1480 . 4 1 1 A 124 124 GLY HA3 H 646 3.707 3.612 0.095 1
1 1481 . 4 1 1 A 124 124 GLY CA C 646 46.521 47.234 -0.713 1
1 1482 . 4 1 1 A 124 124 GLY N N 646 108.260 109.259 -0.999 1
1 1483 . 4 1 1 A 125 125 TYR H H 647 7.386 7.850 -0.464 1
1 1484 . 4 1 1 A 125 125 TYR HA H 647 4.608 4.564 0.044 1
1 1491 . 4 1 1 A 125 125 TYR CA C 647 57.204 59.777 -2.573 1
1 1492 . 4 1 1 A 125 125 TYR CB C 647 37.557 37.728 -0.171 1
1 1495 . 4 1 1 A 125 125 TYR N N 647 120.587 121.465 -0.878 1
1 1496 . 4 1 1 A 126 126 LEU H H 648 7.802 7.854 -0.052 1
1 1497 . 4 1 1 A 126 126 LEU HA H 648 3.801 3.990 -0.189 1
1 1507 . 4 1 1 A 126 126 LEU CA C 648 56.663 57.334 -0.671 1
1 1508 . 4 1 1 A 126 126 LEU CB C 648 42.298 41.741 0.557 1
1 1512 . 4 1 1 A 126 126 LEU N N 648 119.234 120.077 -0.843 1
1 1513 . 4 1 1 A 127 127 THR H H 649 7.473 7.615 -0.142 1
1 1514 . 4 1 1 A 127 127 THR HA H 649 4.238 4.510 -0.272 1
1 1519 . 4 1 1 A 127 127 THR CA C 649 61.868 62.209 -0.341 1
1 1520 . 4 1 1 A 127 127 THR CB C 649 69.451 69.546 -0.095 1
1 1522 . 4 1 1 A 127 127 THR N N 649 108.633 106.919 1.714 1
1 1523 . 4 1 1 A 128 128 SER H H 650 7.696 8.078 -0.382 1
1 1524 . 4 1 1 A 128 128 SER HA H 650 4.439 4.828 -0.389 1
1 1527 . 4 1 1 A 128 128 SER CA C 650 58.451 57.077 1.374 1
1 1528 . 4 1 1 A 128 128 SER CB C 650 63.763 63.278 0.485 1
1 1529 . 4 1 1 A 128 128 SER N N 650 117.667 114.587 3.080 1
1 1 . 5 1 1 A 2 2 SER HA H -3 4.607 4.862 -0.255 1
1 4 . 5 1 1 A 2 2 SER C C -3 174.489 173.098 1.391 1
1 5 . 5 1 1 A 2 2 SER CA C -3 56.994 57.413 -0.419 1
1 6 . 5 1 1 A 2 2 SER CB C -3 64.641 66.217 -1.576 1
1 7 . 5 1 1 A 2 2 SER N N -3 115.970 116.307 -0.337 1
1 8 . 5 1 1 A 3 3 HIS H H -2 8.138 8.459 -0.321 1
1 9 . 5 1 1 A 3 3 HIS HA H -2 4.558 4.110 0.448 1
1 13 . 5 1 1 A 3 3 HIS C C -2 176.502 173.890 2.612 1
1 14 . 5 1 1 A 3 3 HIS CA C -2 56.164 56.294 -0.130 1
1 15 . 5 1 1 A 3 3 HIS CB C -2 30.643 27.774 2.869 1
1 17 . 5 1 1 A 3 3 HIS N N -2 122.640 123.809 -1.169 1
1 39 . 5 1 1 A 6 6 THR H H 528 7.755 8.706 -0.951 1
1 40 . 5 1 1 A 6 6 THR HA H 528 5.155 4.538 0.617 1
1 45 . 5 1 1 A 6 6 THR C C 528 174.544 174.264 0.280 1
1 46 . 5 1 1 A 6 6 THR CA C 528 60.657 62.815 -2.158 1
1 47 . 5 1 1 A 6 6 THR CB C 528 68.218 69.505 -1.287 1
1 49 . 5 1 1 A 6 6 THR N N 528 118.293 115.916 2.377 1
1 50 . 5 1 1 A 7 7 VAL H H 529 8.966 8.713 0.253 1
1 51 . 5 1 1 A 7 7 VAL HA H 529 4.240 4.824 -0.584 1
1 59 . 5 1 1 A 7 7 VAL C C 529 174.012 173.795 0.217 1
1 60 . 5 1 1 A 7 7 VAL CA C 529 58.309 58.778 -0.469 1
1 61 . 5 1 1 A 7 7 VAL CB C 529 35.661 35.781 -0.120 1
1 64 . 5 1 1 A 7 7 VAL N N 529 121.381 119.070 2.311 1
1 65 . 5 1 1 A 8 8 SER H H 530 8.193 8.653 -0.460 1
1 66 . 5 1 1 A 8 8 SER HA H 530 4.825 4.666 0.159 1
1 69 . 5 1 1 A 8 8 SER C C 530 172.908 173.233 -0.325 1
1 70 . 5 1 1 A 8 8 SER CA C 530 55.790 56.688 -0.898 1
1 71 . 5 1 1 A 8 8 SER CB C 530 62.800 63.084 -0.284 1
1 72 . 5 1 1 A 8 8 SER N N 530 113.044 116.378 -3.334 1
1 73 . 5 1 1 A 9 9 TRP H H 531 7.595 8.535 -0.940 1
1 74 . 5 1 1 A 9 9 TRP HA H 531 5.353 4.850 0.503 1
1 83 . 5 1 1 A 9 9 TRP C C 531 177.031 176.356 0.675 1
1 84 . 5 1 1 A 9 9 TRP CA C 531 51.902 57.319 -5.417 1
1 85 . 5 1 1 A 9 9 TRP CB C 531 32.848 30.268 2.580 1
1 91 . 5 1 1 A 9 9 TRP N N 531 124.627 127.423 -2.796 1
1 93 . 5 1 1 A 10 10 ASN H H 532 9.312 8.677 0.635 1
1 94 . 5 1 1 A 10 10 ASN HA H 532 4.601 5.100 -0.499 1
1 99 . 5 1 1 A 10 10 ASN C C 532 175.214 175.437 -0.223 1
1 100 . 5 1 1 A 10 10 ASN CA C 532 51.428 52.319 -0.891 1
1 101 . 5 1 1 A 10 10 ASN CB C 532 38.140 39.681 -1.541 1
1 102 . 5 1 1 A 10 10 ASN N N 532 121.842 119.521 2.321 1
1 104 . 5 1 1 A 11 11 LEU H H 533 8.503 8.683 -0.180 1
1 105 . 5 1 1 A 11 11 LEU HA H 533 4.086 4.076 0.010 1
1 115 . 5 1 1 A 11 11 LEU C C 533 178.309 178.686 -0.377 1
1 116 . 5 1 1 A 11 11 LEU CA C 533 58.491 58.722 -0.231 1
1 117 . 5 1 1 A 11 11 LEU CB C 533 41.525 41.166 0.359 1
1 121 . 5 1 1 A 11 11 LEU N N 533 119.723 121.110 -1.387 1
1 122 . 5 1 1 A 12 12 ARG H H 534 8.057 8.395 -0.338 1
1 123 . 5 1 1 A 12 12 ARG HA H 534 3.840 3.980 -0.140 1
1 130 . 5 1 1 A 12 12 ARG C C 534 179.597 179.451 0.146 1
1 131 . 5 1 1 A 12 12 ARG CA C 534 59.873 59.956 -0.083 1
1 132 . 5 1 1 A 12 12 ARG CB C 534 29.076 30.207 -1.131 1
1 135 . 5 1 1 A 12 12 ARG N N 534 117.711 118.936 -1.225 1
1 136 . 5 1 1 A 13 13 GLU H H 535 8.342 8.446 -0.104 1
1 137 . 5 1 1 A 13 13 GLU HA H 535 3.724 3.983 -0.259 1
1 142 . 5 1 1 A 13 13 GLU C C 535 179.948 179.583 0.365 1
1 143 . 5 1 1 A 13 13 GLU CA C 535 58.753 59.287 -0.534 1
1 144 . 5 1 1 A 13 13 GLU CB C 535 29.402 29.130 0.272 1
1 146 . 5 1 1 A 13 13 GLU N N 535 121.501 119.892 1.609 1
1 147 . 5 1 1 A 14 14 MET H H 536 8.684 8.546 0.138 1
1 148 . 5 1 1 A 14 14 MET HA H 536 3.945 4.451 -0.506 1
1 156 . 5 1 1 A 14 14 MET C C 536 177.364 178.643 -1.279 1
1 157 . 5 1 1 A 14 14 MET CA C 536 60.550 58.927 1.623 1
1 158 . 5 1 1 A 14 14 MET CB C 536 34.412 33.220 1.192 1
1 161 . 5 1 1 A 14 14 MET N N 536 120.565 119.705 0.860 1
1 162 . 5 1 1 A 15 15 LEU H H 537 8.731 8.577 0.154 1
1 163 . 5 1 1 A 15 15 LEU HA H 537 3.970 4.170 -0.200 1
1 173 . 5 1 1 A 15 15 LEU C C 537 178.544 178.513 0.031 1
1 174 . 5 1 1 A 15 15 LEU CA C 537 57.723 58.207 -0.484 1
1 175 . 5 1 1 A 15 15 LEU CB C 537 41.396 41.814 -0.418 1
1 179 . 5 1 1 A 15 15 LEU N N 537 118.710 121.062 -2.352 1
1 180 . 5 1 1 A 16 16 ALA H H 538 7.816 8.601 -0.785 1
1 181 . 5 1 1 A 16 16 ALA HA H 538 4.026 4.127 -0.101 1
1 185 . 5 1 1 A 16 16 ALA C C 538 180.374 179.448 0.926 1
1 186 . 5 1 1 A 16 16 ALA CA C 538 54.734 55.121 -0.387 1
1 187 . 5 1 1 A 16 16 ALA CB C 538 17.670 18.140 -0.470 1
1 188 . 5 1 1 A 16 16 ALA N N 538 120.155 121.304 -1.149 1
1 189 . 5 1 1 A 17 17 HIS H H 539 7.715 8.402 -0.687 1
1 190 . 5 1 1 A 17 17 HIS HA H 539 4.180 4.181 -0.001 1
1 194 . 5 1 1 A 17 17 HIS C C 539 179.167 177.223 1.944 1
1 195 . 5 1 1 A 17 17 HIS CA C 539 59.392 59.608 -0.216 1
1 196 . 5 1 1 A 17 17 HIS CB C 539 29.094 29.405 -0.311 1
1 198 . 5 1 1 A 17 17 HIS N N 539 117.446 117.924 -0.478 1
1 199 . 5 1 1 A 18 18 ALA H H 540 8.995 8.574 0.421 1
1 200 . 5 1 1 A 18 18 ALA HA H 540 3.656 3.969 -0.313 1
1 204 . 5 1 1 A 18 18 ALA C C 540 180.803 179.605 1.198 1
1 205 . 5 1 1 A 18 18 ALA CA C 540 55.762 55.223 0.539 1
1 206 . 5 1 1 A 18 18 ALA CB C 540 18.380 18.047 0.333 1
1 207 . 5 1 1 A 18 18 ALA N N 540 124.222 121.205 3.017 1
1 208 . 5 1 1 A 19 19 GLU H H 541 8.840 8.540 0.300 1
1 209 . 5 1 1 A 19 19 GLU HA H 541 3.695 4.009 -0.314 1
1 214 . 5 1 1 A 19 19 GLU C C 541 178.479 178.781 -0.302 1
1 215 . 5 1 1 A 19 19 GLU CA C 541 59.695 59.589 0.106 1
1 216 . 5 1 1 A 19 19 GLU CB C 541 29.740 29.180 0.560 1
1 218 . 5 1 1 A 19 19 GLU N N 541 121.086 118.182 2.904 1
1 219 . 5 1 1 A 20 20 GLU H H 542 7.649 8.316 -0.667 1
1 220 . 5 1 1 A 20 20 GLU HA H 542 3.980 4.027 -0.047 1
1 225 . 5 1 1 A 20 20 GLU C C 542 178.212 178.656 -0.444 1
1 226 . 5 1 1 A 20 20 GLU CA C 542 58.593 58.788 -0.195 1
1 227 . 5 1 1 A 20 20 GLU CB C 542 30.293 29.750 0.543 1
1 229 . 5 1 1 A 20 20 GLU N N 542 117.027 119.697 -2.670 1
1 230 . 5 1 1 A 21 21 THR H H 543 7.588 7.933 -0.345 1
1 231 . 5 1 1 A 21 21 THR HA H 543 4.105 4.321 -0.216 1
1 236 . 5 1 1 A 21 21 THR C C 543 175.320 174.166 1.154 1
1 237 . 5 1 1 A 21 21 THR CA C 543 62.110 61.742 0.368 1
1 238 . 5 1 1 A 21 21 THR CB C 543 70.747 68.950 1.797 1
1 240 . 5 1 1 A 21 21 THR N N 543 105.058 110.491 -5.433 1
1 241 . 5 1 1 A 22 22 ARG H H 544 7.678 7.945 -0.267 1
1 242 . 5 1 1 A 22 22 ARG HA H 544 3.925 3.971 -0.046 1
1 249 . 5 1 1 A 22 22 ARG C C 544 175.207 175.135 0.072 1
1 250 . 5 1 1 A 22 22 ARG CA C 544 55.996 57.382 -1.386 1
1 251 . 5 1 1 A 22 22 ARG CB C 544 24.959 27.050 -2.091 1
1 254 . 5 1 1 A 22 22 ARG N N 544 116.694 116.916 -0.222 1
1 255 . 5 1 1 A 23 23 LYS H H 545 6.931 7.917 -0.986 1
1 256 . 5 1 1 A 23 23 LYS HA H 545 4.169 4.236 -0.067 1
1 265 . 5 1 1 A 23 23 LYS C C 545 174.855 176.171 -1.316 1
1 266 . 5 1 1 A 23 23 LYS CA C 545 56.339 56.417 -0.078 1
1 267 . 5 1 1 A 23 23 LYS CB C 545 36.104 32.930 3.174 1
1 271 . 5 1 1 A 23 23 LYS N N 545 117.744 118.820 -1.076 1
1 272 . 5 1 1 A 24 24 LEU H H 546 7.898 7.777 0.121 1
1 273 . 5 1 1 A 24 24 LEU HA H 546 4.487 4.493 -0.006 1
1 283 . 5 1 1 A 24 24 LEU C C 546 175.730 175.807 -0.077 1
1 284 . 5 1 1 A 24 24 LEU CA C 546 54.171 56.309 -2.138 1
1 285 . 5 1 1 A 24 24 LEU CB C 546 43.228 42.204 1.024 1
1 289 . 5 1 1 A 24 24 LEU N N 546 122.692 127.760 -5.068 1
1 290 . 5 1 1 A 25 25 MET H H 547 8.767 8.701 0.066 1
1 291 . 5 1 1 A 25 25 MET HA H 547 5.728 5.016 0.712 1
1 299 . 5 1 1 A 25 25 MET CA C 547 51.900 52.594 -0.694 1
1 300 . 5 1 1 A 25 25 MET CB C 547 34.876 33.403 1.473 1
1 303 . 5 1 1 A 25 25 MET N N 547 126.346 127.870 -1.524 1
1 304 . 5 1 1 A 26 26 PRO HA H 548 5.994 5.027 0.967 1
1 311 . 5 1 1 A 26 26 PRO C C 548 176.241 175.963 0.278 1
1 312 . 5 1 1 A 26 26 PRO CA C 548 61.285 63.046 -1.761 1
1 313 . 5 1 1 A 26 26 PRO CB C 548 32.260 33.078 -0.818 1
1 316 . 5 1 1 A 27 27 ILE H H 549 9.054 8.440 0.614 1
1 317 . 5 1 1 A 27 27 ILE HA H 549 4.284 4.647 -0.363 1
1 327 . 5 1 1 A 27 27 ILE C C 549 173.407 174.902 -1.495 1
1 328 . 5 1 1 A 27 27 ILE CA C 549 57.503 59.502 -1.999 1
1 329 . 5 1 1 A 27 27 ILE CB C 549 41.581 42.000 -0.419 1
1 333 . 5 1 1 A 27 27 ILE N N 549 126.281 121.129 5.152 1
1 334 . 5 1 1 A 28 28 CYS H H 550 8.459 8.488 -0.029 1
1 335 . 5 1 1 A 28 28 CYS HA H 550 3.704 3.371 0.333 1
1 339 . 5 1 1 A 28 28 CYS C C 550 174.180 175.826 -1.646 1
1 340 . 5 1 1 A 28 28 CYS CA C 550 56.873 58.385 -1.512 1
1 341 . 5 1 1 A 28 28 CYS CB C 550 27.537 27.997 -0.460 1
1 342 . 5 1 1 A 28 28 CYS N N 550 125.844 126.203 -0.359 1
1 343 . 5 1 1 A 29 29 MET H H 551 8.782 8.758 0.024 1
1 344 . 5 1 1 A 29 29 MET HA H 551 4.637 4.182 0.455 1
1 352 . 5 1 1 A 29 29 MET C C 551 174.613 177.674 -3.061 1
1 353 . 5 1 1 A 29 29 MET CA C 551 56.871 57.189 -0.318 1
1 354 . 5 1 1 A 29 29 MET CB C 551 34.394 31.136 3.258 1
1 357 . 5 1 1 A 29 29 MET N N 551 127.467 127.090 0.377 1
1 358 . 5 1 1 A 30 30 ASP H H 552 7.308 8.073 -0.765 1
1 359 . 5 1 1 A 30 30 ASP HA H 552 4.562 4.349 0.213 1
1 362 . 5 1 1 A 30 30 ASP C C 552 175.386 176.362 -0.976 1
1 363 . 5 1 1 A 30 30 ASP CA C 552 54.371 55.864 -1.493 1
1 364 . 5 1 1 A 30 30 ASP CB C 552 41.751 40.864 0.887 1
1 365 . 5 1 1 A 30 30 ASP N N 552 117.209 120.740 -3.531 1
1 366 . 5 1 1 A 31 31 VAL H H 553 7.257 7.369 -0.112 1
1 367 . 5 1 1 A 31 31 VAL HA H 553 4.057 4.213 -0.156 1
1 375 . 5 1 1 A 31 31 VAL C C 553 175.729 176.389 -0.660 1
1 376 . 5 1 1 A 31 31 VAL CA C 553 61.834 61.608 0.226 1
1 377 . 5 1 1 A 31 31 VAL CB C 553 30.034 30.823 -0.789 1
1 380 . 5 1 1 A 31 31 VAL N N 553 120.645 117.670 2.975 1
1 381 . 5 1 1 A 32 32 ARG H H 554 8.412 8.482 -0.070 1
1 382 . 5 1 1 A 32 32 ARG HA H 554 3.794 3.992 -0.198 1
1 389 . 5 1 1 A 32 32 ARG C C 554 178.819 178.108 0.711 1
1 390 . 5 1 1 A 32 32 ARG CA C 554 59.725 58.762 0.963 1
1 391 . 5 1 1 A 32 32 ARG CB C 554 29.537 29.777 -0.240 1
1 394 . 5 1 1 A 32 32 ARG N N 554 130.554 125.211 5.343 1
1 395 . 5 1 1 A 33 33 ALA H H 555 9.094 8.025 1.069 1
1 396 . 5 1 1 A 33 33 ALA HA H 555 4.081 4.083 -0.002 1
1 400 . 5 1 1 A 33 33 ALA C C 555 180.716 179.875 0.841 1
1 401 . 5 1 1 A 33 33 ALA CA C 555 55.002 54.998 0.004 1
1 402 . 5 1 1 A 33 33 ALA CB C 555 18.462 18.240 0.222 1
1 403 . 5 1 1 A 33 33 ALA N N 555 119.862 121.898 -2.036 1
1 404 . 5 1 1 A 34 34 ILE H H 556 6.620 7.570 -0.950 1
1 405 . 5 1 1 A 34 34 ILE HA H 556 3.745 3.628 0.117 1
1 415 . 5 1 1 A 34 34 ILE C C 556 177.540 177.994 -0.454 1
1 416 . 5 1 1 A 34 34 ILE CA C 556 64.101 65.041 -0.940 1
1 417 . 5 1 1 A 34 34 ILE CB C 556 38.397 37.666 0.731 1
1 421 . 5 1 1 A 34 34 ILE N N 556 116.216 119.590 -3.374 1
1 422 . 5 1 1 A 35 35 MET H H 557 7.619 7.844 -0.225 1
1 423 . 5 1 1 A 35 35 MET HA H 557 4.249 4.186 0.063 1
1 431 . 5 1 1 A 35 35 MET C C 557 178.737 178.080 0.657 1
1 432 . 5 1 1 A 35 35 MET CA C 557 56.113 58.934 -2.821 1
1 433 . 5 1 1 A 35 35 MET CB C 557 29.490 32.385 -2.895 1
1 436 . 5 1 1 A 35 35 MET N N 557 118.017 118.604 -0.587 1
1 437 . 5 1 1 A 36 36 ALA H H 558 8.410 7.884 0.526 1
1 438 . 5 1 1 A 36 36 ALA HA H 558 4.084 4.059 0.025 1
1 442 . 5 1 1 A 36 36 ALA C C 558 180.632 179.716 0.916 1
1 443 . 5 1 1 A 36 36 ALA CA C 558 55.024 55.059 -0.035 1
1 444 . 5 1 1 A 36 36 ALA CB C 558 17.698 18.268 -0.570 1
1 445 . 5 1 1 A 36 36 ALA N N 558 121.592 121.048 0.544 1
1 446 . 5 1 1 A 37 37 THR H H 559 7.294 7.962 -0.668 1
1 447 . 5 1 1 A 37 37 THR HA H 559 3.858 3.881 -0.023 1
1 452 . 5 1 1 A 37 37 THR C C 559 176.419 176.808 -0.389 1
1 453 . 5 1 1 A 37 37 THR CA C 559 66.590 67.016 -0.426 1
1 454 . 5 1 1 A 37 37 THR CB C 559 68.001 68.677 -0.676 1
1 456 . 5 1 1 A 37 37 THR N N 559 115.835 114.782 1.053 1
1 457 . 5 1 1 A 38 38 ILE H H 560 8.109 7.995 0.114 1
1 458 . 5 1 1 A 38 38 ILE HA H 560 3.698 3.776 -0.078 1
1 468 . 5 1 1 A 38 38 ILE C C 560 176.934 178.811 -1.877 1
1 469 . 5 1 1 A 38 38 ILE CA C 560 65.952 65.362 0.590 1
1 470 . 5 1 1 A 38 38 ILE CB C 560 38.252 37.445 0.807 1
1 474 . 5 1 1 A 38 38 ILE N N 560 121.886 121.596 0.290 1
1 475 . 5 1 1 A 39 39 GLN H H 561 8.425 8.393 0.032 1
1 476 . 5 1 1 A 39 39 GLN HA H 561 3.809 4.294 -0.485 1
1 483 . 5 1 1 A 39 39 GLN C C 561 177.126 178.604 -1.478 1
1 484 . 5 1 1 A 39 39 GLN CA C 561 58.751 58.864 -0.113 1
1 485 . 5 1 1 A 39 39 GLN CB C 561 29.255 28.582 0.673 1
1 487 . 5 1 1 A 39 39 GLN N N 561 116.211 117.901 -1.690 1
1 489 . 5 1 1 A 40 40 ARG H H 562 7.334 8.100 -0.766 1
1 490 . 5 1 1 A 40 40 ARG HA H 562 4.092 4.085 0.007 1
1 497 . 5 1 1 A 40 40 ARG C C 562 177.186 178.683 -1.497 1
1 498 . 5 1 1 A 40 40 ARG CA C 562 57.837 59.461 -1.624 1
1 499 . 5 1 1 A 40 40 ARG CB C 562 30.668 29.814 0.854 1
1 502 . 5 1 1 A 40 40 ARG N N 562 116.464 121.076 -4.612 1
1 503 . 5 1 1 A 41 41 LYS H H 563 7.802 7.524 0.278 1
1 504 . 5 1 1 A 41 41 LYS HA H 563 3.926 4.036 -0.110 1
1 513 . 5 1 1 A 41 41 LYS C C 563 176.735 176.888 -0.153 1
1 514 . 5 1 1 A 41 41 LYS CA C 563 57.866 58.721 -0.855 1
1 515 . 5 1 1 A 41 41 LYS CB C 563 33.314 32.748 0.566 1
1 519 . 5 1 1 A 41 41 LYS N N 563 118.658 119.309 -0.651 1
1 520 . 5 1 1 A 42 42 TYR H H 564 8.208 8.409 -0.201 1
1 521 . 5 1 1 A 42 42 TYR HA H 564 4.786 4.942 -0.156 1
1 528 . 5 1 1 A 42 42 TYR C C 564 174.346 175.794 -1.448 1
1 529 . 5 1 1 A 42 42 TYR CA C 564 55.497 56.959 -1.462 1
1 530 . 5 1 1 A 42 42 TYR CB C 564 36.075 36.830 -0.755 1
1 533 . 5 1 1 A 42 42 TYR N N 564 121.157 117.681 3.476 1
1 534 . 5 1 1 A 43 43 LYS H H 565 7.212 8.247 -1.035 1
1 535 . 5 1 1 A 43 43 LYS HA H 565 4.081 4.339 -0.258 1
1 544 . 5 1 1 A 43 43 LYS C C 565 179.082 179.036 0.046 1
1 545 . 5 1 1 A 43 43 LYS CA C 565 58.075 58.790 -0.715 1
1 546 . 5 1 1 A 43 43 LYS CB C 565 32.157 32.908 -0.751 1
1 550 . 5 1 1 A 43 43 LYS N N 565 119.412 125.096 -5.684 1
1 551 . 5 1 1 A 44 44 GLY H H 566 9.179 8.117 1.062 1
1 552 . 5 1 1 A 44 44 GLY HA2 H 566 3.607 3.893 -0.286 1
1 553 . 5 1 1 A 44 44 GLY HA3 H 566 4.252 3.966 0.286 1
1 554 . 5 1 1 A 44 44 GLY C C 566 173.990 174.150 -0.160 1
1 555 . 5 1 1 A 44 44 GLY CA C 566 44.860 46.096 -1.236 1
1 556 . 5 1 1 A 44 44 GLY N N 566 114.958 106.760 8.198 1
1 557 . 5 1 1 A 45 45 ILE H H 567 7.604 7.146 0.458 1
1 558 . 5 1 1 A 45 45 ILE HA H 567 2.533 3.709 -1.176 1
1 568 . 5 1 1 A 45 45 ILE C C 567 172.893 175.270 -2.377 1
1 569 . 5 1 1 A 45 45 ILE CA C 567 61.754 61.153 0.601 1
1 570 . 5 1 1 A 45 45 ILE CB C 567 38.302 38.713 -0.411 1
1 574 . 5 1 1 A 45 45 ILE N N 567 122.496 121.773 0.723 1
1 575 . 5 1 1 A 46 46 LYS H H 568 7.733 8.428 -0.695 1
1 576 . 5 1 1 A 46 46 LYS HA H 568 4.307 4.530 -0.223 1
1 585 . 5 1 1 A 46 46 LYS C C 568 174.772 176.498 -1.726 1
1 586 . 5 1 1 A 46 46 LYS CA C 568 54.069 54.649 -0.580 1
1 587 . 5 1 1 A 46 46 LYS CB C 568 31.741 34.155 -2.414 1
1 591 . 5 1 1 A 46 46 LYS N N 568 128.712 127.587 1.125 1
1 592 . 5 1 1 A 47 47 ILE H H 569 8.081 8.368 -0.287 1
1 593 . 5 1 1 A 47 47 ILE HA H 569 3.166 3.723 -0.557 1
1 603 . 5 1 1 A 47 47 ILE CA C 569 61.564 61.382 0.182 1
1 604 . 5 1 1 A 47 47 ILE CB C 569 36.718 37.956 -1.238 1
1 608 . 5 1 1 A 47 47 ILE N N 569 124.424 123.470 0.954 1
1 609 . 5 1 1 A 48 48 GLN H H 570 6.700 8.567 -1.867 1
1 610 . 5 1 1 A 48 48 GLN HA H 570 4.205 4.961 -0.756 1
1 617 . 5 1 1 A 48 48 GLN CA C 570 53.129 54.137 -1.008 1
1 618 . 5 1 1 A 48 48 GLN CB C 570 31.211 32.548 -1.337 1
1 620 . 5 1 1 A 48 48 GLN N N 570 122.748 123.518 -0.770 1
1 622 . 5 1 1 A 49 49 GLU H H 571 8.218 8.530 -0.312 1
1 623 . 5 1 1 A 49 49 GLU HA H 571 3.727 4.626 -0.899 1
1 628 . 5 1 1 A 49 49 GLU CA C 571 57.976 56.504 1.472 1
1 629 . 5 1 1 A 49 49 GLU CB C 571 30.954 28.221 2.733 1
1 631 . 5 1 1 A 49 49 GLU N N 571 116.531 122.940 -6.409 1
1 632 . 5 1 1 A 50 50 GLY H H 572 8.967 7.800 1.167 1
1 633 . 5 1 1 A 50 50 GLY HA2 H 572 2.810 4.387 -1.577 1
1 634 . 5 1 1 A 50 50 GLY HA3 H 572 4.198 4.536 -0.338 1
1 635 . 5 1 1 A 50 50 GLY CA C 572 43.607 45.953 -2.346 1
1 636 . 5 1 1 A 50 50 GLY N N 572 111.469 109.929 1.540 1
1 637 . 5 1 1 A 51 51 ILE H H 573 8.410 8.727 -0.317 1
1 638 . 5 1 1 A 51 51 ILE HA H 573 4.916 4.697 0.219 1
1 648 . 5 1 1 A 51 51 ILE CA C 573 61.137 61.704 -0.567 1
1 649 . 5 1 1 A 51 51 ILE CB C 573 38.165 38.041 0.124 1
1 653 . 5 1 1 A 51 51 ILE N N 573 120.591 121.979 -1.388 1
1 654 . 5 1 1 A 52 52 VAL H H 574 8.900 9.140 -0.240 1
1 655 . 5 1 1 A 52 52 VAL HA H 574 4.073 4.729 -0.656 1
1 663 . 5 1 1 A 52 52 VAL CA C 574 62.516 62.037 0.479 1
1 664 . 5 1 1 A 52 52 VAL CB C 574 35.957 33.885 2.072 1
1 667 . 5 1 1 A 52 52 VAL N N 574 131.435 128.260 3.175 1
1 668 . 5 1 1 A 53 53 ASP H H 575 8.731 9.158 -0.427 1
1 669 . 5 1 1 A 53 53 ASP HA H 575 4.953 4.676 0.277 1
1 672 . 5 1 1 A 53 53 ASP CA C 575 52.137 53.599 -1.462 1
1 673 . 5 1 1 A 53 53 ASP CB C 575 40.659 39.270 1.389 1
1 674 . 5 1 1 A 53 53 ASP N N 575 126.463 128.898 -2.435 1
1 675 . 5 1 1 A 54 54 TYR H H 576 8.639 8.788 -0.149 1
1 676 . 5 1 1 A 54 54 TYR HA H 576 4.407 4.967 -0.560 1
1 683 . 5 1 1 A 54 54 TYR CA C 576 57.833 57.610 0.223 1
1 684 . 5 1 1 A 54 54 TYR CB C 576 38.634 41.101 -2.467 1
1 687 . 5 1 1 A 54 54 TYR N N 576 131.097 125.853 5.244 1
1 688 . 5 1 1 A 55 55 GLY H H 577 8.388 8.963 -0.575 1
1 689 . 5 1 1 A 55 55 GLY HA2 H 577 3.056 3.826 -0.770 1
1 690 . 5 1 1 A 55 55 GLY HA3 H 577 4.307 3.965 0.342 1
1 691 . 5 1 1 A 55 55 GLY CA C 577 46.347 47.140 -0.793 1
1 692 . 5 1 1 A 55 55 GLY N N 577 115.719 117.079 -1.360 1
1 693 . 5 1 1 A 56 56 VAL H H 578 7.143 7.492 -0.349 1
1 694 . 5 1 1 A 56 56 VAL HA H 578 3.410 3.961 -0.551 1
1 702 . 5 1 1 A 56 56 VAL CA C 578 60.335 61.277 -0.942 1
1 703 . 5 1 1 A 56 56 VAL CB C 578 35.027 31.163 3.864 1
1 706 . 5 1 1 A 56 56 VAL N N 578 124.853 124.788 0.065 1
1 707 . 5 1 1 A 57 57 ARG H H 579 8.091 7.593 0.498 1
1 708 . 5 1 1 A 57 57 ARG HA H 579 4.292 4.126 0.166 1
1 715 . 5 1 1 A 57 57 ARG CA C 579 55.039 56.430 -1.391 1
1 716 . 5 1 1 A 57 57 ARG CB C 579 29.224 29.136 0.088 1
1 719 . 5 1 1 A 57 57 ARG N N 579 124.754 119.041 5.713 1
1 720 . 5 1 1 A 58 58 PHE H H 580 8.499 9.288 -0.789 1
1 721 . 5 1 1 A 58 58 PHE HA H 580 4.647 5.198 -0.551 1
1 729 . 5 1 1 A 58 58 PHE CA C 580 57.563 56.532 1.031 1
1 730 . 5 1 1 A 58 58 PHE CB C 580 42.026 41.868 0.158 1
1 734 . 5 1 1 A 58 58 PHE N N 580 124.105 123.202 0.903 1
1 735 . 5 1 1 A 59 59 PHE H H 581 7.683 8.537 -0.854 1
1 736 . 5 1 1 A 59 59 PHE HA H 581 4.689 5.106 -0.417 1
1 743 . 5 1 1 A 59 59 PHE CA C 581 56.662 56.340 0.322 1
1 744 . 5 1 1 A 59 59 PHE CB C 581 41.024 40.364 0.660 1
1 747 . 5 1 1 A 59 59 PHE N N 581 119.707 122.801 -3.094 1
1 748 . 5 1 1 A 60 60 PHE H H 582 8.898 8.499 0.399 1
1 749 . 5 1 1 A 60 60 PHE HA H 582 5.563 4.931 0.632 1
1 757 . 5 1 1 A 60 60 PHE CA C 582 57.615 58.806 -1.191 1
1 758 . 5 1 1 A 60 60 PHE CB C 582 39.539 40.084 -0.545 1
1 762 . 5 1 1 A 60 60 PHE N N 582 127.157 126.569 0.588 1
1 763 . 5 1 1 A 61 61 TYR H H 583 8.441 9.055 -0.614 1
1 764 . 5 1 1 A 61 61 TYR HA H 583 5.301 5.384 -0.083 1
1 771 . 5 1 1 A 61 61 TYR CA C 583 54.556 55.406 -0.850 1
1 772 . 5 1 1 A 61 61 TYR CB C 583 41.444 40.953 0.491 1
1 775 . 5 1 1 A 61 61 TYR N N 583 119.072 120.017 -0.945 1
1 776 . 5 1 1 A 62 62 THR H H 584 9.444 8.659 0.785 1
1 777 . 5 1 1 A 62 62 THR HA H 584 4.680 4.989 -0.309 1
1 782 . 5 1 1 A 62 62 THR CA C 584 59.784 60.058 -0.274 1
1 783 . 5 1 1 A 62 62 THR CB C 584 71.274 71.016 0.258 1
1 785 . 5 1 1 A 62 62 THR N N 584 113.469 112.919 0.550 1
1 786 . 5 1 1 A 63 63 SER H H 585 9.092 9.050 0.042 1
1 787 . 5 1 1 A 63 63 SER HA H 585 4.685 3.704 0.981 1
1 790 . 5 1 1 A 63 63 SER CA C 585 59.665 61.165 -1.500 1
1 791 . 5 1 1 A 63 63 SER CB C 585 62.835 62.451 0.384 1
1 792 . 5 1 1 A 63 63 SER N N 585 114.155 119.301 -5.146 1
1 793 . 5 1 1 A 64 64 LYS H H 586 7.484 8.130 -0.646 1
1 794 . 5 1 1 A 64 64 LYS HA H 586 4.074 4.081 -0.007 1
1 803 . 5 1 1 A 64 64 LYS CA C 586 55.960 58.998 -3.038 1
1 804 . 5 1 1 A 64 64 LYS CB C 586 32.662 32.123 0.539 1
1 808 . 5 1 1 A 64 64 LYS N N 586 118.230 118.862 -0.632 1
1 809 . 5 1 1 A 65 65 GLU H H 587 7.194 7.561 -0.367 1
1 810 . 5 1 1 A 65 65 GLU HA H 587 4.584 4.530 0.054 1
1 815 . 5 1 1 A 65 65 GLU CA C 587 53.443 55.460 -2.017 1
1 816 . 5 1 1 A 65 65 GLU CB C 587 30.381 29.488 0.893 1
1 818 . 5 1 1 A 65 65 GLU N N 587 124.837 121.376 3.461 1
1 819 . 5 1 1 A 66 66 PRO HA H 588 4.506 4.562 -0.056 1
1 826 . 5 1 1 A 66 66 PRO CA C 588 62.620 63.285 -0.665 1
1 827 . 5 1 1 A 66 66 PRO CB C 588 32.368 32.062 0.306 1
1 830 . 5 1 1 A 67 67 VAL H H 589 8.545 8.372 0.173 1
1 831 . 5 1 1 A 67 67 VAL HA H 589 3.136 3.201 -0.065 1
1 839 . 5 1 1 A 67 67 VAL CA C 589 66.588 66.362 0.226 1
1 840 . 5 1 1 A 67 67 VAL CB C 589 30.979 31.268 -0.289 1
1 843 . 5 1 1 A 67 67 VAL N N 589 123.156 123.504 -0.348 1
1 844 . 5 1 1 A 68 68 ALA H H 590 8.700 8.479 0.221 1
1 845 . 5 1 1 A 68 68 ALA HA H 590 3.953 3.936 0.017 1
1 849 . 5 1 1 A 68 68 ALA CA C 590 54.867 55.671 -0.804 1
1 850 . 5 1 1 A 68 68 ALA CB C 590 18.134 18.812 -0.678 1
1 851 . 5 1 1 A 68 68 ALA N N 590 118.895 122.817 -3.922 1
1 852 . 5 1 1 A 69 69 SER H H 591 6.961 7.716 -0.755 1
1 853 . 5 1 1 A 69 69 SER HA H 591 4.195 4.203 -0.008 1
1 856 . 5 1 1 A 69 69 SER CA C 591 60.029 61.552 -1.523 1
1 857 . 5 1 1 A 69 69 SER CB C 591 62.045 63.053 -1.008 1
1 858 . 5 1 1 A 69 69 SER N N 591 111.445 112.890 -1.445 1
1 859 . 5 1 1 A 70 70 ILE H H 592 7.386 7.530 -0.144 1
1 860 . 5 1 1 A 70 70 ILE HA H 592 3.361 3.659 -0.298 1
1 870 . 5 1 1 A 70 70 ILE CA C 592 65.332 64.644 0.688 1
1 871 . 5 1 1 A 70 70 ILE CB C 592 38.427 37.205 1.222 1
1 875 . 5 1 1 A 70 70 ILE N N 592 122.407 120.814 1.593 1
1 876 . 5 1 1 A 71 71 ILE H H 593 8.332 8.447 -0.115 1
1 877 . 5 1 1 A 71 71 ILE HA H 593 3.256 3.486 -0.230 1
1 887 . 5 1 1 A 71 71 ILE CA C 593 65.023 65.097 -0.074 1
1 888 . 5 1 1 A 71 71 ILE CB C 593 36.662 37.542 -0.880 1
1 892 . 5 1 1 A 71 71 ILE N N 593 117.779 121.700 -3.921 1
1 893 . 5 1 1 A 72 72 THR H H 594 7.834 8.184 -0.350 1
1 894 . 5 1 1 A 72 72 THR HA H 594 3.845 3.865 -0.020 1
1 899 . 5 1 1 A 72 72 THR CA C 594 67.376 66.874 0.502 1
1 900 . 5 1 1 A 72 72 THR CB C 594 68.291 68.513 -0.222 1
1 902 . 5 1 1 A 72 72 THR N N 594 117.154 116.804 0.350 1
1 903 . 5 1 1 A 73 73 LYS H H 595 7.803 8.112 -0.309 1
1 904 . 5 1 1 A 73 73 LYS HA H 595 3.936 4.034 -0.098 1
1 913 . 5 1 1 A 73 73 LYS CA C 595 59.853 59.579 0.274 1
1 914 . 5 1 1 A 73 73 LYS CB C 595 32.531 32.540 -0.009 1
1 918 . 5 1 1 A 73 73 LYS N N 595 122.657 119.960 2.697 1
1 919 . 5 1 1 A 74 74 LEU H H 596 8.088 8.429 -0.341 1
1 920 . 5 1 1 A 74 74 LEU HA H 596 3.681 4.032 -0.351 1
1 930 . 5 1 1 A 74 74 LEU CA C 596 57.217 57.976 -0.759 1
1 931 . 5 1 1 A 74 74 LEU CB C 596 41.122 40.717 0.405 1
1 935 . 5 1 1 A 74 74 LEU N N 596 119.593 120.282 -0.689 1
1 936 . 5 1 1 A 75 75 ASN H H 597 8.949 8.594 0.355 1
1 937 . 5 1 1 A 75 75 ASN HA H 597 4.471 4.391 0.080 1
1 942 . 5 1 1 A 75 75 ASN CA C 597 54.735 56.758 -2.023 1
1 943 . 5 1 1 A 75 75 ASN CB C 597 37.074 38.697 -1.623 1
1 944 . 5 1 1 A 75 75 ASN N N 597 121.103 118.982 2.121 1
1 946 . 5 1 1 A 76 76 SER H H 598 7.927 8.558 -0.631 1
1 947 . 5 1 1 A 76 76 SER HA H 598 4.137 4.176 -0.039 1
1 950 . 5 1 1 A 76 76 SER CA C 598 60.952 61.554 -0.602 1
1 951 . 5 1 1 A 76 76 SER CB C 598 62.516 62.405 0.111 1
1 952 . 5 1 1 A 76 76 SER N N 598 116.716 115.436 1.280 1
1 953 . 5 1 1 A 77 77 LEU H H 599 7.543 7.479 0.064 1
1 954 . 5 1 1 A 77 77 LEU HA H 599 3.974 3.976 -0.002 1
1 964 . 5 1 1 A 77 77 LEU CA C 599 57.200 57.788 -0.588 1
1 965 . 5 1 1 A 77 77 LEU CB C 599 41.749 42.015 -0.266 1
1 969 . 5 1 1 A 77 77 LEU N N 599 121.292 122.872 -1.580 1
1 970 . 5 1 1 A 78 78 ASN H H 600 7.755 7.828 -0.073 1
1 971 . 5 1 1 A 78 78 ASN HA H 600 4.114 4.297 -0.183 1
1 976 . 5 1 1 A 78 78 ASN CA C 600 53.603 54.497 -0.894 1
1 977 . 5 1 1 A 78 78 ASN CB C 600 37.688 37.751 -0.063 1
1 978 . 5 1 1 A 78 78 ASN N N 600 113.272 117.839 -4.567 1
1 980 . 5 1 1 A 79 79 GLU H H 601 8.389 8.037 0.352 1
1 981 . 5 1 1 A 79 79 GLU HA H 601 4.675 4.537 0.138 1
1 986 . 5 1 1 A 79 79 GLU CA C 601 53.418 53.781 -0.363 1
1 987 . 5 1 1 A 79 79 GLU CB C 601 30.704 29.752 0.952 1
1 989 . 5 1 1 A 79 79 GLU N N 601 118.840 119.278 -0.438 1
1 990 . 5 1 1 A 80 80 PRO HA H 602 4.771 4.905 -0.134 1
1 997 . 5 1 1 A 80 80 PRO CA C 602 62.189 62.624 -0.435 1
1 998 . 5 1 1 A 80 80 PRO CB C 602 32.196 31.862 0.334 1
1 1001 . 5 1 1 A 81 81 LEU H H 603 8.539 8.578 -0.039 1
1 1002 . 5 1 1 A 81 81 LEU HA H 603 5.766 5.105 0.661 1
1 1012 . 5 1 1 A 81 81 LEU CA C 603 53.432 53.697 -0.265 1
1 1013 . 5 1 1 A 81 81 LEU CB C 603 48.114 43.629 4.485 1
1 1017 . 5 1 1 A 81 81 LEU N N 603 118.455 123.842 -5.387 1
1 1018 . 5 1 1 A 82 82 VAL H H 604 8.322 8.265 0.057 1
1 1019 . 5 1 1 A 82 82 VAL HA H 604 5.110 4.721 0.389 1
1 1027 . 5 1 1 A 82 82 VAL CA C 604 59.609 60.827 -1.218 1
1 1028 . 5 1 1 A 82 82 VAL CB C 604 34.100 33.515 0.585 1
1 1031 . 5 1 1 A 82 82 VAL N N 604 121.259 120.399 0.860 1
1 1032 . 5 1 1 A 83 83 THR H H 605 8.570 8.830 -0.260 1
1 1033 . 5 1 1 A 83 83 THR HA H 605 5.107 4.781 0.326 1
1 1038 . 5 1 1 A 83 83 THR CA C 605 59.606 60.377 -0.771 1
1 1039 . 5 1 1 A 83 83 THR CB C 605 71.321 70.695 0.626 1
1 1041 . 5 1 1 A 83 83 THR N N 605 117.620 122.010 -4.390 1
1 1042 . 5 1 1 A 84 84 MET H H 606 8.288 8.521 -0.233 1
1 1043 . 5 1 1 A 84 84 MET HA H 606 5.310 4.902 0.408 1
1 1051 . 5 1 1 A 84 84 MET CA C 606 55.491 54.926 0.565 1
1 1052 . 5 1 1 A 84 84 MET CB C 606 31.549 32.413 -0.864 1
1 1055 . 5 1 1 A 84 84 MET N N 606 125.405 122.312 3.093 1
1 1056 . 5 1 1 A 85 85 PRO HA H 607 4.048 4.545 -0.497 1
1 1063 . 5 1 1 A 85 85 PRO CA C 607 63.608 63.218 0.390 1
1 1064 . 5 1 1 A 85 85 PRO CB C 607 31.291 32.203 -0.912 1
1 1067 . 5 1 1 A 86 86 ILE H H 608 8.326 8.669 -0.343 1
1 1068 . 5 1 1 A 86 86 ILE HA H 608 3.423 4.159 -0.736 1
1 1078 . 5 1 1 A 86 86 ILE CA C 608 63.457 63.780 -0.323 1
1 1079 . 5 1 1 A 86 86 ILE CB C 608 35.800 38.410 -2.610 1
1 1083 . 5 1 1 A 86 86 ILE N N 608 133.106 119.523 13.583 1
1 1084 . 5 1 1 A 87 87 GLY H H 609 8.549 7.851 0.698 1
1 1085 . 5 1 1 A 87 87 GLY HA2 H 609 3.448 3.419 0.029 1
1 1086 . 5 1 1 A 87 87 GLY HA3 H 609 4.101 3.420 0.681 1
1 1087 . 5 1 1 A 87 87 GLY CA C 609 44.556 46.224 -1.668 1
1 1088 . 5 1 1 A 87 87 GLY N N 609 111.653 109.174 2.479 1
1 1089 . 5 1 1 A 88 88 TYR H H 610 7.224 8.408 -1.184 1
1 1090 . 5 1 1 A 88 88 TYR HA H 610 4.437 4.920 -0.483 1
1 1097 . 5 1 1 A 88 88 TYR CA C 610 57.670 56.648 1.022 1
1 1098 . 5 1 1 A 88 88 TYR CB C 610 38.604 40.521 -1.917 1
1 1101 . 5 1 1 A 88 88 TYR N N 610 121.537 124.830 -3.293 1
1 1102 . 5 1 1 A 89 89 VAL H H 611 8.953 7.972 0.981 1
1 1103 . 5 1 1 A 89 89 VAL HA H 611 3.065 3.552 -0.487 1
1 1111 . 5 1 1 A 89 89 VAL CA C 611 70.009 66.284 3.725 1
1 1112 . 5 1 1 A 89 89 VAL CB C 611 30.422 31.445 -1.023 1
1 1115 . 5 1 1 A 89 89 VAL N N 611 128.074 122.199 5.875 1
1 1116 . 5 1 1 A 90 90 THR H H 612 9.348 7.994 1.354 1
1 1117 . 5 1 1 A 90 90 THR HA H 612 3.810 4.149 -0.339 1
1 1122 . 5 1 1 A 90 90 THR CA C 612 64.727 65.613 -0.886 1
1 1123 . 5 1 1 A 90 90 THR CB C 612 68.005 68.452 -0.447 1
1 1125 . 5 1 1 A 90 90 THR N N 612 117.972 113.057 4.915 1
1 1126 . 5 1 1 A 91 91 HIS H H 613 7.651 8.044 -0.393 1
1 1127 . 5 1 1 A 91 91 HIS HA H 613 4.685 4.602 0.083 1
1 1131 . 5 1 1 A 91 91 HIS CA C 613 55.419 55.769 -0.350 1
1 1132 . 5 1 1 A 91 91 HIS CB C 613 29.092 29.782 -0.690 1
1 1134 . 5 1 1 A 91 91 HIS N N 613 119.034 117.589 1.445 1
1 1135 . 5 1 1 A 92 92 GLY H H 614 7.655 8.001 -0.346 1
1 1136 . 5 1 1 A 92 92 GLY HA2 H 614 3.665 3.860 -0.195 1
1 1137 . 5 1 1 A 92 92 GLY HA3 H 614 4.095 3.933 0.162 1
1 1138 . 5 1 1 A 92 92 GLY CA C 614 45.035 46.186 -1.151 1
1 1139 . 5 1 1 A 92 92 GLY N N 614 106.031 108.464 -2.433 1
1 1140 . 5 1 1 A 93 93 PHE H H 615 6.716 8.353 -1.637 1
1 1141 . 5 1 1 A 93 93 PHE HA H 615 5.244 4.509 0.735 1
1 1149 . 5 1 1 A 93 93 PHE CA C 615 53.904 58.022 -4.118 1
1 1150 . 5 1 1 A 93 93 PHE CB C 615 38.587 40.505 -1.918 1
1 1154 . 5 1 1 A 93 93 PHE N N 615 116.220 119.539 -3.319 1
1 1155 . 5 1 1 A 94 94 ASN H H 616 9.141 8.680 0.461 1
1 1156 . 5 1 1 A 94 94 ASN HA H 616 4.956 4.944 0.012 1
1 1161 . 5 1 1 A 94 94 ASN CA C 616 51.278 51.461 -0.183 1
1 1162 . 5 1 1 A 94 94 ASN CB C 616 37.692 41.112 -3.420 1
1 1163 . 5 1 1 A 94 94 ASN N N 616 122.153 121.109 1.044 1
1 1165 . 5 1 1 A 95 95 LEU H H 617 8.684 8.979 -0.295 1
1 1166 . 5 1 1 A 95 95 LEU HA H 617 3.831 4.305 -0.474 1
1 1176 . 5 1 1 A 95 95 LEU CA C 617 58.457 58.468 -0.011 1
1 1177 . 5 1 1 A 95 95 LEU CB C 617 41.985 42.004 -0.019 1
1 1181 . 5 1 1 A 95 95 LEU N N 617 119.153 125.773 -6.620 1
1 1182 . 5 1 1 A 96 96 GLU H H 618 7.747 7.965 -0.218 1
1 1183 . 5 1 1 A 96 96 GLU HA H 618 2.864 2.602 0.262 1
1 1188 . 5 1 1 A 96 96 GLU CA C 618 59.402 59.334 0.068 1
1 1189 . 5 1 1 A 96 96 GLU CB C 618 28.323 28.829 -0.506 1
1 1191 . 5 1 1 A 96 96 GLU N N 618 120.199 118.674 1.525 1
1 1192 . 5 1 1 A 97 97 GLU H H 619 8.503 8.204 0.299 1
1 1193 . 5 1 1 A 97 97 GLU HA H 619 3.497 3.955 -0.458 1
1 1198 . 5 1 1 A 97 97 GLU CA C 619 58.251 58.799 -0.548 1
1 1199 . 5 1 1 A 97 97 GLU CB C 619 29.073 29.265 -0.192 1
1 1201 . 5 1 1 A 97 97 GLU N N 619 118.988 118.252 0.736 1
1 1202 . 5 1 1 A 98 98 ALA H H 620 8.311 8.470 -0.159 1
1 1203 . 5 1 1 A 98 98 ALA HA H 620 4.211 4.554 -0.343 1
1 1207 . 5 1 1 A 98 98 ALA CA C 620 54.717 55.290 -0.573 1
1 1208 . 5 1 1 A 98 98 ALA CB C 620 18.635 18.417 0.218 1
1 1209 . 5 1 1 A 98 98 ALA N N 620 121.102 122.732 -1.630 1
1 1210 . 5 1 1 A 99 99 ALA H H 621 8.570 8.217 0.353 1
1 1211 . 5 1 1 A 99 99 ALA HA H 621 3.831 3.641 0.190 1
1 1215 . 5 1 1 A 99 99 ALA CA C 621 55.004 55.034 -0.030 1
1 1216 . 5 1 1 A 99 99 ALA CB C 621 18.548 17.683 0.865 1
1 1217 . 5 1 1 A 99 99 ALA N N 621 121.431 119.464 1.967 1
1 1218 . 5 1 1 A 100 100 ARG H H 622 7.646 8.457 -0.811 1
1 1219 . 5 1 1 A 100 100 ARG HA H 622 3.636 4.017 -0.381 1
1 1226 . 5 1 1 A 100 100 ARG CA C 622 59.556 59.730 -0.174 1
1 1227 . 5 1 1 A 100 100 ARG CB C 622 29.420 30.124 -0.704 1
1 1230 . 5 1 1 A 100 100 ARG N N 622 114.812 117.322 -2.510 1
1 1231 . 5 1 1 A 101 101 CYS H H 623 7.503 8.747 -1.244 1
1 1232 . 5 1 1 A 101 101 CYS HA H 623 4.081 4.257 -0.176 1
1 1235 . 5 1 1 A 101 101 CYS CA C 623 62.364 61.879 0.485 1
1 1236 . 5 1 1 A 101 101 CYS CB C 623 26.301 25.793 0.508 1
1 1237 . 5 1 1 A 101 101 CYS N N 623 118.667 118.819 -0.152 1
1 1238 . 5 1 1 A 102 102 MET H H 624 8.332 8.426 -0.094 1
1 1239 . 5 1 1 A 102 102 MET HA H 624 4.165 4.326 -0.161 1
1 1247 . 5 1 1 A 102 102 MET CA C 624 55.808 57.260 -1.452 1
1 1248 . 5 1 1 A 102 102 MET CB C 624 30.500 31.526 -1.026 1
1 1251 . 5 1 1 A 102 102 MET N N 624 119.480 119.564 -0.084 1
1 1252 . 5 1 1 A 103 103 ARG H H 625 7.505 7.681 -0.176 1
1 1253 . 5 1 1 A 103 103 ARG HA H 625 4.022 4.211 -0.189 1
1 1260 . 5 1 1 A 103 103 ARG CA C 625 58.658 59.097 -0.439 1
1 1261 . 5 1 1 A 103 103 ARG CB C 625 30.413 29.725 0.688 1
1 1264 . 5 1 1 A 103 103 ARG N N 625 120.614 119.845 0.769 1
1 1265 . 5 1 1 A 104 104 SER H H 626 7.635 8.018 -0.383 1
1 1266 . 5 1 1 A 104 104 SER HA H 626 4.278 4.316 -0.038 1
1 1269 . 5 1 1 A 104 104 SER CA C 626 58.925 61.171 -2.246 1
1 1270 . 5 1 1 A 104 104 SER CB C 626 63.785 63.142 0.643 1
1 1271 . 5 1 1 A 104 104 SER N N 626 111.144 114.431 -3.287 1
1 1272 . 5 1 1 A 105 105 LEU H H 627 7.602 7.449 0.153 1
1 1273 . 5 1 1 A 105 105 LEU HA H 627 4.387 4.223 0.164 1
1 1283 . 5 1 1 A 105 105 LEU CA C 627 55.025 55.765 -0.740 1
1 1284 . 5 1 1 A 105 105 LEU CB C 627 42.360 42.520 -0.160 1
1 1288 . 5 1 1 A 105 105 LEU N N 627 125.064 121.090 3.974 1
1 1289 . 5 1 1 A 106 106 LYS H H 628 9.724 8.925 0.799 1
1 1290 . 5 1 1 A 106 106 LYS HA H 628 4.244 4.628 -0.384 1
1 1299 . 5 1 1 A 106 106 LYS CA C 628 54.781 55.855 -1.074 1
1 1300 . 5 1 1 A 106 106 LYS CB C 628 33.456 34.306 -0.850 1
1 1304 . 5 1 1 A 106 106 LYS N N 628 128.616 123.256 5.360 1
1 1305 . 5 1 1 A 107 107 ALA H H 629 6.593 7.542 -0.949 1
1 1306 . 5 1 1 A 107 107 ALA HA H 629 4.420 4.528 -0.108 1
1 1310 . 5 1 1 A 107 107 ALA CA C 629 50.003 51.136 -1.133 1
1 1311 . 5 1 1 A 107 107 ALA CB C 629 17.219 18.401 -1.182 1
1 1312 . 5 1 1 A 107 107 ALA N N 629 124.084 123.794 0.290 1
1 1313 . 5 1 1 A 108 108 PRO HA H 630 4.302 4.698 -0.396 1
1 1320 . 5 1 1 A 108 108 PRO CA C 630 62.816 62.742 0.074 1
1 1321 . 5 1 1 A 108 108 PRO CB C 630 31.743 32.322 -0.579 1
1 1324 . 5 1 1 A 109 109 ALA H H 631 7.898 8.280 -0.382 1
1 1325 . 5 1 1 A 109 109 ALA HA H 631 5.092 4.878 0.214 1
1 1329 . 5 1 1 A 109 109 ALA CA C 631 50.966 51.340 -0.374 1
1 1330 . 5 1 1 A 109 109 ALA CB C 631 22.217 22.939 -0.722 1
1 1331 . 5 1 1 A 109 109 ALA N N 631 122.466 122.594 -0.128 1
1 1332 . 5 1 1 A 110 110 VAL H H 632 8.071 8.835 -0.764 1
1 1333 . 5 1 1 A 110 110 VAL HA H 632 4.167 4.340 -0.173 1
1 1341 . 5 1 1 A 110 110 VAL CA C 632 61.685 62.554 -0.869 1
1 1342 . 5 1 1 A 110 110 VAL CB C 632 32.856 31.527 1.329 1
1 1345 . 5 1 1 A 110 110 VAL N N 632 125.531 121.971 3.560 1
1 1346 . 5 1 1 A 111 111 VAL H H 633 8.182 8.394 -0.212 1
1 1347 . 5 1 1 A 111 111 VAL HA H 633 4.731 4.775 -0.044 1
1 1355 . 5 1 1 A 111 111 VAL CA C 633 59.473 60.315 -0.842 1
1 1356 . 5 1 1 A 111 111 VAL CB C 633 32.919 33.182 -0.263 1
1 1359 . 5 1 1 A 111 111 VAL N N 633 128.148 128.693 -0.545 1
1 1360 . 5 1 1 A 112 112 SER H H 634 8.591 9.116 -0.525 1
1 1361 . 5 1 1 A 112 112 SER HA H 634 4.920 4.929 -0.009 1
1 1364 . 5 1 1 A 112 112 SER CA C 634 53.905 56.443 -2.538 1
1 1365 . 5 1 1 A 112 112 SER CB C 634 64.651 64.346 0.305 1
1 1366 . 5 1 1 A 112 112 SER N N 634 119.276 123.168 -3.892 1
1 1367 . 5 1 1 A 113 113 VAL H H 635 8.503 8.018 0.485 1
1 1368 . 5 1 1 A 113 113 VAL HA H 635 4.522 4.278 0.244 1
1 1376 . 5 1 1 A 113 113 VAL CA C 635 59.398 61.123 -1.725 1
1 1377 . 5 1 1 A 113 113 VAL CB C 635 32.548 33.669 -1.121 1
1 1380 . 5 1 1 A 113 113 VAL N N 635 118.886 124.714 -5.828 1
1 1381 . 5 1 1 A 114 114 SER H H 636 8.263 8.940 -0.677 1
1 1382 . 5 1 1 A 114 114 SER HA H 636 3.940 4.356 -0.416 1
1 1385 . 5 1 1 A 114 114 SER CA C 636 61.597 60.455 1.142 1
1 1386 . 5 1 1 A 114 114 SER CB C 636 63.321 63.903 -0.582 1
1 1387 . 5 1 1 A 114 114 SER N N 636 112.710 116.897 -4.187 1
1 1388 . 5 1 1 A 115 115 SER H H 637 7.269 8.023 -0.754 1
1 1389 . 5 1 1 A 115 115 SER HA H 637 4.956 4.943 0.013 1
1 1392 . 5 1 1 A 115 115 SER CA C 637 55.674 55.828 -0.154 1
1 1393 . 5 1 1 A 115 115 SER CB C 637 64.074 66.119 -2.045 1
1 1394 . 5 1 1 A 115 115 SER N N 637 114.537 113.568 0.969 1
1 1395 . 5 1 1 A 116 116 PRO HA H 638 4.186 4.373 -0.187 1
1 1402 . 5 1 1 A 116 116 PRO CA C 638 65.021 64.770 0.251 1
1 1403 . 5 1 1 A 116 116 PRO CB C 638 31.908 32.101 -0.193 1
1 1406 . 5 1 1 A 117 117 ASP H H 639 8.161 8.454 -0.293 1
1 1407 . 5 1 1 A 117 117 ASP HA H 639 4.359 4.449 -0.090 1
1 1410 . 5 1 1 A 117 117 ASP CA C 639 55.928 56.813 -0.885 1
1 1411 . 5 1 1 A 117 117 ASP CB C 639 40.088 40.709 -0.621 1
1 1412 . 5 1 1 A 117 117 ASP N N 639 116.310 117.432 -1.122 1
1 1413 . 5 1 1 A 118 118 ALA H H 640 7.596 7.915 -0.319 1
1 1414 . 5 1 1 A 118 118 ALA HA H 640 4.225 4.155 0.070 1
1 1418 . 5 1 1 A 118 118 ALA CA C 640 52.964 54.609 -1.645 1
1 1419 . 5 1 1 A 118 118 ALA CB C 640 18.334 18.510 -0.176 1
1 1420 . 5 1 1 A 118 118 ALA N N 640 121.066 121.336 -0.270 1
1 1421 . 5 1 1 A 119 119 VAL H H 641 7.280 7.697 -0.417 1
1 1422 . 5 1 1 A 119 119 VAL HA H 641 3.221 3.532 -0.311 1
1 1430 . 5 1 1 A 119 119 VAL CA C 641 66.608 67.141 -0.533 1
1 1431 . 5 1 1 A 119 119 VAL CB C 641 31.436 31.592 -0.156 1
1 1434 . 5 1 1 A 119 119 VAL N N 641 120.886 119.437 1.449 1
1 1435 . 5 1 1 A 120 120 THR H H 642 7.475 8.082 -0.607 1
1 1436 . 5 1 1 A 120 120 THR HA H 642 3.840 3.935 -0.095 1
1 1441 . 5 1 1 A 120 120 THR CA C 642 65.297 65.586 -0.289 1
1 1442 . 5 1 1 A 120 120 THR CB C 642 68.042 68.919 -0.877 1
1 1444 . 5 1 1 A 120 120 THR N N 642 112.821 116.549 -3.728 1
1 1445 . 5 1 1 A 121 121 THR H H 643 7.328 8.081 -0.753 1
1 1446 . 5 1 1 A 121 121 THR HA H 643 3.477 3.684 -0.207 1
1 1451 . 5 1 1 A 121 121 THR CA C 643 65.341 66.610 -1.269 1
1 1452 . 5 1 1 A 121 121 THR CB C 643 68.196 68.564 -0.368 1
1 1454 . 5 1 1 A 121 121 THR N N 643 119.194 116.864 2.330 1
1 1455 . 5 1 1 A 122 122 TYR H H 644 8.766 8.546 0.220 1
1 1456 . 5 1 1 A 122 122 TYR HA H 644 3.764 4.329 -0.565 1
1 1463 . 5 1 1 A 122 122 TYR CA C 644 62.340 62.204 0.136 1
1 1464 . 5 1 1 A 122 122 TYR CB C 644 39.106 38.690 0.416 1
1 1467 . 5 1 1 A 122 122 TYR N N 644 122.838 121.353 1.485 1
1 1468 . 5 1 1 A 123 123 ASN H H 645 8.290 8.677 -0.387 1
1 1469 . 5 1 1 A 123 123 ASN HA H 645 4.299 4.527 -0.228 1
1 1474 . 5 1 1 A 123 123 ASN CA C 645 55.018 56.141 -1.123 1
1 1475 . 5 1 1 A 123 123 ASN CB C 645 36.967 38.019 -1.052 1
1 1476 . 5 1 1 A 123 123 ASN N N 645 116.356 117.962 -1.606 1
1 1478 . 5 1 1 A 124 124 GLY H H 646 7.768 8.209 -0.441 1
1 1479 . 5 1 1 A 124 124 GLY HA2 H 646 3.639 3.449 0.190 1
1 1480 . 5 1 1 A 124 124 GLY HA3 H 646 3.707 3.566 0.141 1
1 1481 . 5 1 1 A 124 124 GLY CA C 646 46.521 47.181 -0.660 1
1 1482 . 5 1 1 A 124 124 GLY N N 646 108.260 109.192 -0.932 1
1 1483 . 5 1 1 A 125 125 TYR H H 647 7.386 7.834 -0.448 1
1 1484 . 5 1 1 A 125 125 TYR HA H 647 4.608 4.564 0.044 1
1 1491 . 5 1 1 A 125 125 TYR CA C 647 57.204 59.739 -2.535 1
1 1492 . 5 1 1 A 125 125 TYR CB C 647 37.557 37.593 -0.036 1
1 1495 . 5 1 1 A 125 125 TYR N N 647 120.587 121.339 -0.752 1
1 1496 . 5 1 1 A 126 126 LEU H H 648 7.802 7.956 -0.154 1
1 1497 . 5 1 1 A 126 126 LEU HA H 648 3.801 3.942 -0.141 1
1 1507 . 5 1 1 A 126 126 LEU CA C 648 56.663 58.091 -1.428 1
1 1508 . 5 1 1 A 126 126 LEU CB C 648 42.298 41.848 0.450 1
1 1512 . 5 1 1 A 126 126 LEU N N 648 119.234 119.908 -0.674 1
1 1513 . 5 1 1 A 127 127 THR H H 649 7.473 7.955 -0.482 1
1 1514 . 5 1 1 A 127 127 THR HA H 649 4.238 4.620 -0.382 1
1 1519 . 5 1 1 A 127 127 THR CA C 649 61.868 63.190 -1.322 1
1 1520 . 5 1 1 A 127 127 THR CB C 649 69.451 71.415 -1.964 1
1 1522 . 5 1 1 A 127 127 THR N N 649 108.633 110.069 -1.436 1
1 1523 . 5 1 1 A 128 128 SER H H 650 7.696 7.944 -0.248 1
1 1524 . 5 1 1 A 128 128 SER HA H 650 4.439 4.077 0.362 1
1 1527 . 5 1 1 A 128 128 SER CA C 650 58.451 59.738 -1.287 1
1 1528 . 5 1 1 A 128 128 SER CB C 650 63.763 61.723 2.040 1
1 1529 . 5 1 1 A 128 128 SER N N 650 117.667 115.970 1.697 1
1 1 . 6 1 1 A 2 2 SER HA H -3 4.607 5.275 -0.668 1
1 4 . 6 1 1 A 2 2 SER C C -3 174.489 172.474 2.015 1
1 5 . 6 1 1 A 2 2 SER CA C -3 56.994 57.463 -0.469 1
1 6 . 6 1 1 A 2 2 SER CB C -3 64.641 65.639 -0.998 1
1 7 . 6 1 1 A 2 2 SER N N -3 115.970 114.583 1.387 1
1 8 . 6 1 1 A 3 3 HIS H H -2 8.138 9.056 -0.918 1
1 9 . 6 1 1 A 3 3 HIS HA H -2 4.558 5.069 -0.511 1
1 13 . 6 1 1 A 3 3 HIS C C -2 176.502 173.253 3.249 1
1 14 . 6 1 1 A 3 3 HIS CA C -2 56.164 54.594 1.570 1
1 15 . 6 1 1 A 3 3 HIS CB C -2 30.643 34.451 -3.808 1
1 17 . 6 1 1 A 3 3 HIS N N -2 122.640 126.766 -4.126 1
1 39 . 6 1 1 A 6 6 THR H H 528 7.755 8.704 -0.949 1
1 40 . 6 1 1 A 6 6 THR HA H 528 5.155 4.686 0.469 1
1 45 . 6 1 1 A 6 6 THR C C 528 174.544 174.324 0.220 1
1 46 . 6 1 1 A 6 6 THR CA C 528 60.657 63.069 -2.412 1
1 47 . 6 1 1 A 6 6 THR CB C 528 68.218 69.667 -1.449 1
1 49 . 6 1 1 A 6 6 THR N N 528 118.293 116.627 1.666 1
1 50 . 6 1 1 A 7 7 VAL H H 529 8.966 8.778 0.188 1
1 51 . 6 1 1 A 7 7 VAL HA H 529 4.240 4.824 -0.584 1
1 59 . 6 1 1 A 7 7 VAL C C 529 174.012 174.743 -0.731 1
1 60 . 6 1 1 A 7 7 VAL CA C 529 58.309 58.805 -0.496 1
1 61 . 6 1 1 A 7 7 VAL CB C 529 35.661 35.609 0.052 1
1 64 . 6 1 1 A 7 7 VAL N N 529 121.381 119.154 2.227 1
1 65 . 6 1 1 A 8 8 SER H H 530 8.193 8.560 -0.367 1
1 66 . 6 1 1 A 8 8 SER HA H 530 4.825 4.920 -0.095 1
1 69 . 6 1 1 A 8 8 SER C C 530 172.908 174.762 -1.854 1
1 70 . 6 1 1 A 8 8 SER CA C 530 55.790 56.471 -0.681 1
1 71 . 6 1 1 A 8 8 SER CB C 530 62.800 63.271 -0.471 1
1 72 . 6 1 1 A 8 8 SER N N 530 113.044 115.490 -2.446 1
1 73 . 6 1 1 A 9 9 TRP H H 531 7.595 7.522 0.073 1
1 74 . 6 1 1 A 9 9 TRP HA H 531 5.353 4.766 0.587 1
1 83 . 6 1 1 A 9 9 TRP C C 531 177.031 176.687 0.344 1
1 84 . 6 1 1 A 9 9 TRP CA C 531 51.902 57.236 -5.334 1
1 85 . 6 1 1 A 9 9 TRP CB C 531 32.848 30.458 2.390 1
1 91 . 6 1 1 A 9 9 TRP N N 531 124.627 123.710 0.917 1
1 93 . 6 1 1 A 10 10 ASN H H 532 9.312 9.162 0.150 1
1 94 . 6 1 1 A 10 10 ASN HA H 532 4.601 4.825 -0.224 1
1 99 . 6 1 1 A 10 10 ASN C C 532 175.214 177.206 -1.992 1
1 100 . 6 1 1 A 10 10 ASN CA C 532 51.428 53.474 -2.046 1
1 101 . 6 1 1 A 10 10 ASN CB C 532 38.140 39.487 -1.347 1
1 102 . 6 1 1 A 10 10 ASN N N 532 121.842 120.810 1.032 1
1 104 . 6 1 1 A 11 11 LEU H H 533 8.503 8.905 -0.402 1
1 105 . 6 1 1 A 11 11 LEU HA H 533 4.086 4.075 0.011 1
1 115 . 6 1 1 A 11 11 LEU C C 533 178.309 178.803 -0.494 1
1 116 . 6 1 1 A 11 11 LEU CA C 533 58.491 57.697 0.794 1
1 117 . 6 1 1 A 11 11 LEU CB C 533 41.525 41.414 0.111 1
1 121 . 6 1 1 A 11 11 LEU N N 533 119.723 123.909 -4.186 1
1 122 . 6 1 1 A 12 12 ARG H H 534 8.057 8.297 -0.240 1
1 123 . 6 1 1 A 12 12 ARG HA H 534 3.840 4.050 -0.210 1
1 130 . 6 1 1 A 12 12 ARG C C 534 179.597 179.215 0.382 1
1 131 . 6 1 1 A 12 12 ARG CA C 534 59.873 59.653 0.220 1
1 132 . 6 1 1 A 12 12 ARG CB C 534 29.076 29.969 -0.893 1
1 135 . 6 1 1 A 12 12 ARG N N 534 117.711 119.986 -2.275 1
1 136 . 6 1 1 A 13 13 GLU H H 535 8.342 8.247 0.095 1
1 137 . 6 1 1 A 13 13 GLU HA H 535 3.724 3.969 -0.245 1
1 142 . 6 1 1 A 13 13 GLU C C 535 179.948 179.651 0.297 1
1 143 . 6 1 1 A 13 13 GLU CA C 535 58.753 59.233 -0.480 1
1 144 . 6 1 1 A 13 13 GLU CB C 535 29.402 29.329 0.073 1
1 146 . 6 1 1 A 13 13 GLU N N 535 121.501 120.030 1.471 1
1 147 . 6 1 1 A 14 14 MET H H 536 8.684 8.504 0.180 1
1 148 . 6 1 1 A 14 14 MET HA H 536 3.945 4.359 -0.414 1
1 156 . 6 1 1 A 14 14 MET C C 536 177.364 178.911 -1.547 1
1 157 . 6 1 1 A 14 14 MET CA C 536 60.550 58.910 1.640 1
1 158 . 6 1 1 A 14 14 MET CB C 536 34.412 33.045 1.367 1
1 161 . 6 1 1 A 14 14 MET N N 536 120.565 119.938 0.627 1
1 162 . 6 1 1 A 15 15 LEU H H 537 8.731 8.497 0.234 1
1 163 . 6 1 1 A 15 15 LEU HA H 537 3.970 4.130 -0.160 1
1 173 . 6 1 1 A 15 15 LEU C C 537 178.544 179.510 -0.966 1
1 174 . 6 1 1 A 15 15 LEU CA C 537 57.723 58.012 -0.289 1
1 175 . 6 1 1 A 15 15 LEU CB C 537 41.396 40.950 0.446 1
1 179 . 6 1 1 A 15 15 LEU N N 537 118.710 119.716 -1.006 1
1 180 . 6 1 1 A 16 16 ALA H H 538 7.816 7.988 -0.172 1
1 181 . 6 1 1 A 16 16 ALA HA H 538 4.026 4.109 -0.083 1
1 185 . 6 1 1 A 16 16 ALA C C 538 180.374 179.279 1.095 1
1 186 . 6 1 1 A 16 16 ALA CA C 538 54.734 55.148 -0.414 1
1 187 . 6 1 1 A 16 16 ALA CB C 538 17.670 18.258 -0.588 1
1 188 . 6 1 1 A 16 16 ALA N N 538 120.155 122.258 -2.103 1
1 189 . 6 1 1 A 17 17 HIS H H 539 7.715 8.674 -0.959 1
1 190 . 6 1 1 A 17 17 HIS HA H 539 4.180 4.157 0.023 1
1 194 . 6 1 1 A 17 17 HIS C C 539 179.167 177.073 2.094 1
1 195 . 6 1 1 A 17 17 HIS CA C 539 59.392 59.568 -0.176 1
1 196 . 6 1 1 A 17 17 HIS CB C 539 29.094 29.504 -0.410 1
1 198 . 6 1 1 A 17 17 HIS N N 539 117.446 117.948 -0.502 1
1 199 . 6 1 1 A 18 18 ALA H H 540 8.995 8.703 0.292 1
1 200 . 6 1 1 A 18 18 ALA HA H 540 3.656 3.975 -0.319 1
1 204 . 6 1 1 A 18 18 ALA C C 540 180.803 179.842 0.961 1
1 205 . 6 1 1 A 18 18 ALA CA C 540 55.762 55.256 0.506 1
1 206 . 6 1 1 A 18 18 ALA CB C 540 18.380 18.092 0.288 1
1 207 . 6 1 1 A 18 18 ALA N N 540 124.222 121.286 2.936 1
1 208 . 6 1 1 A 19 19 GLU H H 541 8.840 8.497 0.343 1
1 209 . 6 1 1 A 19 19 GLU HA H 541 3.695 3.947 -0.252 1
1 214 . 6 1 1 A 19 19 GLU C C 541 178.479 178.978 -0.499 1
1 215 . 6 1 1 A 19 19 GLU CA C 541 59.695 59.692 0.003 1
1 216 . 6 1 1 A 19 19 GLU CB C 541 29.740 29.150 0.590 1
1 218 . 6 1 1 A 19 19 GLU N N 541 121.086 117.968 3.118 1
1 219 . 6 1 1 A 20 20 GLU H H 542 7.649 8.261 -0.612 1
1 220 . 6 1 1 A 20 20 GLU HA H 542 3.980 4.101 -0.121 1
1 225 . 6 1 1 A 20 20 GLU C C 542 178.212 178.258 -0.046 1
1 226 . 6 1 1 A 20 20 GLU CA C 542 58.593 58.862 -0.269 1
1 227 . 6 1 1 A 20 20 GLU CB C 542 30.293 29.454 0.839 1
1 229 . 6 1 1 A 20 20 GLU N N 542 117.027 118.966 -1.939 1
1 230 . 6 1 1 A 21 21 THR H H 543 7.588 7.712 -0.124 1
1 231 . 6 1 1 A 21 21 THR HA H 543 4.105 4.271 -0.166 1
1 236 . 6 1 1 A 21 21 THR C C 543 175.320 174.333 0.987 1
1 237 . 6 1 1 A 21 21 THR CA C 543 62.110 61.860 0.250 1
1 238 . 6 1 1 A 21 21 THR CB C 543 70.747 69.257 1.490 1
1 240 . 6 1 1 A 21 21 THR N N 543 105.058 107.378 -2.320 1
1 241 . 6 1 1 A 22 22 ARG H H 544 7.678 7.676 0.002 1
1 242 . 6 1 1 A 22 22 ARG HA H 544 3.925 3.901 0.024 1
1 249 . 6 1 1 A 22 22 ARG C C 544 175.207 175.179 0.028 1
1 250 . 6 1 1 A 22 22 ARG CA C 544 55.996 57.149 -1.153 1
1 251 . 6 1 1 A 22 22 ARG CB C 544 24.959 27.333 -2.374 1
1 254 . 6 1 1 A 22 22 ARG N N 544 116.694 117.362 -0.668 1
1 255 . 6 1 1 A 23 23 LYS H H 545 6.931 7.481 -0.550 1
1 256 . 6 1 1 A 23 23 LYS HA H 545 4.169 4.300 -0.131 1
1 265 . 6 1 1 A 23 23 LYS C C 545 174.855 176.130 -1.275 1
1 266 . 6 1 1 A 23 23 LYS CA C 545 56.339 56.431 -0.092 1
1 267 . 6 1 1 A 23 23 LYS CB C 545 36.104 33.719 2.385 1
1 271 . 6 1 1 A 23 23 LYS N N 545 117.744 118.617 -0.873 1
1 272 . 6 1 1 A 24 24 LEU H H 546 7.898 7.942 -0.044 1
1 273 . 6 1 1 A 24 24 LEU HA H 546 4.487 4.677 -0.190 1
1 283 . 6 1 1 A 24 24 LEU C C 546 175.730 175.552 0.178 1
1 284 . 6 1 1 A 24 24 LEU CA C 546 54.171 55.056 -0.885 1
1 285 . 6 1 1 A 24 24 LEU CB C 546 43.228 42.745 0.483 1
1 289 . 6 1 1 A 24 24 LEU N N 546 122.692 123.427 -0.735 1
1 290 . 6 1 1 A 25 25 MET H H 547 8.767 9.175 -0.408 1
1 291 . 6 1 1 A 25 25 MET HA H 547 5.728 5.248 0.480 1
1 299 . 6 1 1 A 25 25 MET CA C 547 51.900 52.374 -0.474 1
1 300 . 6 1 1 A 25 25 MET CB C 547 34.876 34.428 0.448 1
1 303 . 6 1 1 A 25 25 MET N N 547 126.346 126.787 -0.441 1
1 304 . 6 1 1 A 26 26 PRO HA H 548 5.994 5.144 0.850 1
1 311 . 6 1 1 A 26 26 PRO C C 548 176.241 176.067 0.174 1
1 312 . 6 1 1 A 26 26 PRO CA C 548 61.285 62.907 -1.622 1
1 313 . 6 1 1 A 26 26 PRO CB C 548 32.260 32.941 -0.681 1
1 316 . 6 1 1 A 27 27 ILE H H 549 9.054 8.869 0.185 1
1 317 . 6 1 1 A 27 27 ILE HA H 549 4.284 4.534 -0.250 1
1 327 . 6 1 1 A 27 27 ILE C C 549 173.407 174.830 -1.423 1
1 328 . 6 1 1 A 27 27 ILE CA C 549 57.503 59.811 -2.308 1
1 329 . 6 1 1 A 27 27 ILE CB C 549 41.581 41.166 0.415 1
1 333 . 6 1 1 A 27 27 ILE N N 549 126.281 121.562 4.719 1
1 334 . 6 1 1 A 28 28 CYS H H 550 8.459 8.597 -0.138 1
1 335 . 6 1 1 A 28 28 CYS HA H 550 3.704 3.682 0.022 1
1 339 . 6 1 1 A 28 28 CYS C C 550 174.180 175.746 -1.566 1
1 340 . 6 1 1 A 28 28 CYS CA C 550 56.873 59.397 -2.524 1
1 341 . 6 1 1 A 28 28 CYS CB C 550 27.537 28.040 -0.503 1
1 342 . 6 1 1 A 28 28 CYS N N 550 125.844 126.892 -1.048 1
1 343 . 6 1 1 A 29 29 MET H H 551 8.782 8.580 0.202 1
1 344 . 6 1 1 A 29 29 MET HA H 551 4.637 4.294 0.343 1
1 352 . 6 1 1 A 29 29 MET C C 551 174.613 177.380 -2.767 1
1 353 . 6 1 1 A 29 29 MET CA C 551 56.871 56.708 0.163 1
1 354 . 6 1 1 A 29 29 MET CB C 551 34.394 31.517 2.877 1
1 357 . 6 1 1 A 29 29 MET N N 551 127.467 127.118 0.349 1
1 358 . 6 1 1 A 30 30 ASP H H 552 7.308 7.770 -0.462 1
1 359 . 6 1 1 A 30 30 ASP HA H 552 4.562 4.338 0.224 1
1 362 . 6 1 1 A 30 30 ASP C C 552 175.386 176.154 -0.768 1
1 363 . 6 1 1 A 30 30 ASP CA C 552 54.371 56.045 -1.674 1
1 364 . 6 1 1 A 30 30 ASP CB C 552 41.751 40.867 0.884 1
1 365 . 6 1 1 A 30 30 ASP N N 552 117.209 118.986 -1.777 1
1 366 . 6 1 1 A 31 31 VAL H H 553 7.257 7.587 -0.330 1
1 367 . 6 1 1 A 31 31 VAL HA H 553 4.057 4.209 -0.152 1
1 375 . 6 1 1 A 31 31 VAL C C 553 175.729 176.088 -0.359 1
1 376 . 6 1 1 A 31 31 VAL CA C 553 61.834 61.250 0.584 1
1 377 . 6 1 1 A 31 31 VAL CB C 553 30.034 32.308 -2.274 1
1 380 . 6 1 1 A 31 31 VAL N N 553 120.645 114.936 5.709 1
1 381 . 6 1 1 A 32 32 ARG H H 554 8.412 8.684 -0.272 1
1 382 . 6 1 1 A 32 32 ARG HA H 554 3.794 4.002 -0.208 1
1 389 . 6 1 1 A 32 32 ARG C C 554 178.819 178.518 0.301 1
1 390 . 6 1 1 A 32 32 ARG CA C 554 59.725 59.888 -0.163 1
1 391 . 6 1 1 A 32 32 ARG CB C 554 29.537 29.921 -0.384 1
1 394 . 6 1 1 A 32 32 ARG N N 554 130.554 126.778 3.776 1
1 395 . 6 1 1 A 33 33 ALA H H 555 9.094 7.980 1.114 1
1 396 . 6 1 1 A 33 33 ALA HA H 555 4.081 4.078 0.003 1
1 400 . 6 1 1 A 33 33 ALA C C 555 180.716 180.361 0.355 1
1 401 . 6 1 1 A 33 33 ALA CA C 555 55.002 55.072 -0.070 1
1 402 . 6 1 1 A 33 33 ALA CB C 555 18.462 18.614 -0.152 1
1 403 . 6 1 1 A 33 33 ALA N N 555 119.862 121.071 -1.209 1
1 404 . 6 1 1 A 34 34 ILE H H 556 6.620 7.882 -1.262 1
1 405 . 6 1 1 A 34 34 ILE HA H 556 3.745 3.775 -0.030 1
1 415 . 6 1 1 A 34 34 ILE C C 556 177.540 178.079 -0.539 1
1 416 . 6 1 1 A 34 34 ILE CA C 556 64.101 64.615 -0.514 1
1 417 . 6 1 1 A 34 34 ILE CB C 556 38.397 36.487 1.910 1
1 421 . 6 1 1 A 34 34 ILE N N 556 116.216 117.485 -1.269 1
1 422 . 6 1 1 A 35 35 MET H H 557 7.619 8.152 -0.533 1
1 423 . 6 1 1 A 35 35 MET HA H 557 4.249 4.113 0.136 1
1 431 . 6 1 1 A 35 35 MET C C 557 178.737 178.499 0.238 1
1 432 . 6 1 1 A 35 35 MET CA C 557 56.113 58.819 -2.706 1
1 433 . 6 1 1 A 35 35 MET CB C 557 29.490 31.947 -2.457 1
1 436 . 6 1 1 A 35 35 MET N N 557 118.017 119.429 -1.412 1
1 437 . 6 1 1 A 36 36 ALA H H 558 8.410 7.769 0.641 1
1 438 . 6 1 1 A 36 36 ALA HA H 558 4.084 4.110 -0.026 1
1 442 . 6 1 1 A 36 36 ALA C C 558 180.632 179.845 0.787 1
1 443 . 6 1 1 A 36 36 ALA CA C 558 55.024 55.051 -0.027 1
1 444 . 6 1 1 A 36 36 ALA CB C 558 17.698 18.413 -0.715 1
1 445 . 6 1 1 A 36 36 ALA N N 558 121.592 121.104 0.488 1
1 446 . 6 1 1 A 37 37 THR H H 559 7.294 8.086 -0.792 1
1 447 . 6 1 1 A 37 37 THR HA H 559 3.858 3.923 -0.065 1
1 452 . 6 1 1 A 37 37 THR C C 559 176.419 176.934 -0.515 1
1 453 . 6 1 1 A 37 37 THR CA C 559 66.590 67.239 -0.649 1
1 454 . 6 1 1 A 37 37 THR CB C 559 68.001 68.675 -0.674 1
1 456 . 6 1 1 A 37 37 THR N N 559 115.835 114.131 1.704 1
1 457 . 6 1 1 A 38 38 ILE H H 560 8.109 8.056 0.053 1
1 458 . 6 1 1 A 38 38 ILE HA H 560 3.698 3.883 -0.185 1
1 468 . 6 1 1 A 38 38 ILE C C 560 176.934 178.734 -1.800 1
1 469 . 6 1 1 A 38 38 ILE CA C 560 65.952 65.745 0.207 1
1 470 . 6 1 1 A 38 38 ILE CB C 560 38.252 37.407 0.845 1
1 474 . 6 1 1 A 38 38 ILE N N 560 121.886 121.765 0.121 1
1 475 . 6 1 1 A 39 39 GLN H H 561 8.425 8.501 -0.076 1
1 476 . 6 1 1 A 39 39 GLN HA H 561 3.809 4.336 -0.527 1
1 483 . 6 1 1 A 39 39 GLN C C 561 177.126 178.607 -1.481 1
1 484 . 6 1 1 A 39 39 GLN CA C 561 58.751 58.823 -0.072 1
1 485 . 6 1 1 A 39 39 GLN CB C 561 29.255 28.585 0.670 1
1 487 . 6 1 1 A 39 39 GLN N N 561 116.211 118.391 -2.180 1
1 489 . 6 1 1 A 40 40 ARG H H 562 7.334 8.859 -1.525 1
1 490 . 6 1 1 A 40 40 ARG HA H 562 4.092 4.049 0.043 1
1 497 . 6 1 1 A 40 40 ARG C C 562 177.186 178.173 -0.987 1
1 498 . 6 1 1 A 40 40 ARG CA C 562 57.837 59.129 -1.292 1
1 499 . 6 1 1 A 40 40 ARG CB C 562 30.668 30.169 0.499 1
1 502 . 6 1 1 A 40 40 ARG N N 562 116.464 119.139 -2.675 1
1 503 . 6 1 1 A 41 41 LYS H H 563 7.802 7.757 0.045 1
1 504 . 6 1 1 A 41 41 LYS HA H 563 3.926 4.131 -0.205 1
1 513 . 6 1 1 A 41 41 LYS C C 563 176.735 176.488 0.247 1
1 514 . 6 1 1 A 41 41 LYS CA C 563 57.866 57.882 -0.016 1
1 515 . 6 1 1 A 41 41 LYS CB C 563 33.314 32.997 0.317 1
1 519 . 6 1 1 A 41 41 LYS N N 563 118.658 119.786 -1.128 1
1 520 . 6 1 1 A 42 42 TYR H H 564 8.208 8.624 -0.416 1
1 521 . 6 1 1 A 42 42 TYR HA H 564 4.786 5.347 -0.561 1
1 528 . 6 1 1 A 42 42 TYR C C 564 174.346 176.336 -1.990 1
1 529 . 6 1 1 A 42 42 TYR CA C 564 55.497 56.140 -0.643 1
1 530 . 6 1 1 A 42 42 TYR CB C 564 36.075 38.168 -2.093 1
1 533 . 6 1 1 A 42 42 TYR N N 564 121.157 117.719 3.438 1
1 534 . 6 1 1 A 43 43 LYS H H 565 7.212 8.181 -0.969 1
1 535 . 6 1 1 A 43 43 LYS HA H 565 4.081 4.103 -0.022 1
1 544 . 6 1 1 A 43 43 LYS C C 565 179.082 178.902 0.180 1
1 545 . 6 1 1 A 43 43 LYS CA C 565 58.075 59.538 -1.463 1
1 546 . 6 1 1 A 43 43 LYS CB C 565 32.157 32.099 0.058 1
1 550 . 6 1 1 A 43 43 LYS N N 565 119.412 123.439 -4.027 1
1 551 . 6 1 1 A 44 44 GLY H H 566 9.179 8.255 0.924 1
1 552 . 6 1 1 A 44 44 GLY HA2 H 566 3.607 3.744 -0.137 1
1 553 . 6 1 1 A 44 44 GLY HA3 H 566 4.252 3.768 0.484 1
1 554 . 6 1 1 A 44 44 GLY C C 566 173.990 174.567 -0.577 1
1 555 . 6 1 1 A 44 44 GLY CA C 566 44.860 47.357 -2.497 1
1 556 . 6 1 1 A 44 44 GLY N N 566 114.958 106.742 8.216 1
1 557 . 6 1 1 A 45 45 ILE H H 567 7.604 6.996 0.608 1
1 558 . 6 1 1 A 45 45 ILE HA H 567 2.533 3.702 -1.169 1
1 568 . 6 1 1 A 45 45 ILE C C 567 172.893 175.508 -2.615 1
1 569 . 6 1 1 A 45 45 ILE CA C 567 61.754 61.518 0.236 1
1 570 . 6 1 1 A 45 45 ILE CB C 567 38.302 38.740 -0.438 1
1 574 . 6 1 1 A 45 45 ILE N N 567 122.496 121.754 0.742 1
1 575 . 6 1 1 A 46 46 LYS H H 568 7.733 8.297 -0.564 1
1 576 . 6 1 1 A 46 46 LYS HA H 568 4.307 4.492 -0.185 1
1 585 . 6 1 1 A 46 46 LYS C C 568 174.772 175.857 -1.085 1
1 586 . 6 1 1 A 46 46 LYS CA C 568 54.069 54.978 -0.909 1
1 587 . 6 1 1 A 46 46 LYS CB C 568 31.741 34.068 -2.327 1
1 591 . 6 1 1 A 46 46 LYS N N 568 128.712 127.796 0.916 1
1 592 . 6 1 1 A 47 47 ILE H H 569 8.081 8.055 0.026 1
1 593 . 6 1 1 A 47 47 ILE HA H 569 3.166 4.040 -0.874 1
1 603 . 6 1 1 A 47 47 ILE CA C 569 61.564 59.955 1.609 1
1 604 . 6 1 1 A 47 47 ILE CB C 569 36.718 37.787 -1.069 1
1 608 . 6 1 1 A 47 47 ILE N N 569 124.424 123.464 0.960 1
1 609 . 6 1 1 A 48 48 GLN H H 570 6.700 8.316 -1.616 1
1 610 . 6 1 1 A 48 48 GLN HA H 570 4.205 4.885 -0.680 1
1 617 . 6 1 1 A 48 48 GLN CA C 570 53.129 54.140 -1.011 1
1 618 . 6 1 1 A 48 48 GLN CB C 570 31.211 32.636 -1.425 1
1 620 . 6 1 1 A 48 48 GLN N N 570 122.748 123.802 -1.054 1
1 622 . 6 1 1 A 49 49 GLU H H 571 8.218 8.536 -0.318 1
1 623 . 6 1 1 A 49 49 GLU HA H 571 3.727 4.415 -0.688 1
1 628 . 6 1 1 A 49 49 GLU CA C 571 57.976 58.146 -0.170 1
1 629 . 6 1 1 A 49 49 GLU CB C 571 30.954 29.469 1.485 1
1 631 . 6 1 1 A 49 49 GLU N N 571 116.531 122.447 -5.916 1
1 632 . 6 1 1 A 50 50 GLY H H 572 8.967 8.024 0.943 1
1 633 . 6 1 1 A 50 50 GLY HA2 H 572 2.810 4.175 -1.365 1
1 634 . 6 1 1 A 50 50 GLY HA3 H 572 4.198 4.220 -0.022 1
1 635 . 6 1 1 A 50 50 GLY CA C 572 43.607 44.462 -0.855 1
1 636 . 6 1 1 A 50 50 GLY N N 572 111.469 111.210 0.259 1
1 637 . 6 1 1 A 51 51 ILE H H 573 8.410 8.743 -0.333 1
1 638 . 6 1 1 A 51 51 ILE HA H 573 4.916 4.725 0.191 1
1 648 . 6 1 1 A 51 51 ILE CA C 573 61.137 62.513 -1.376 1
1 649 . 6 1 1 A 51 51 ILE CB C 573 38.165 38.040 0.125 1
1 653 . 6 1 1 A 51 51 ILE N N 573 120.591 122.070 -1.479 1
1 654 . 6 1 1 A 52 52 VAL H H 574 8.900 9.069 -0.169 1
1 655 . 6 1 1 A 52 52 VAL HA H 574 4.073 4.725 -0.652 1
1 663 . 6 1 1 A 52 52 VAL CA C 574 62.516 61.484 1.032 1
1 664 . 6 1 1 A 52 52 VAL CB C 574 35.957 34.623 1.334 1
1 667 . 6 1 1 A 52 52 VAL N N 574 131.435 128.191 3.244 1
1 668 . 6 1 1 A 53 53 ASP H H 575 8.731 9.106 -0.375 1
1 669 . 6 1 1 A 53 53 ASP HA H 575 4.953 4.907 0.046 1
1 672 . 6 1 1 A 53 53 ASP CA C 575 52.137 53.074 -0.937 1
1 673 . 6 1 1 A 53 53 ASP CB C 575 40.659 40.846 -0.187 1
1 674 . 6 1 1 A 53 53 ASP N N 575 126.463 128.602 -2.139 1
1 675 . 6 1 1 A 54 54 TYR H H 576 8.639 8.917 -0.278 1
1 676 . 6 1 1 A 54 54 TYR HA H 576 4.407 4.865 -0.458 1
1 683 . 6 1 1 A 54 54 TYR CA C 576 57.833 57.688 0.145 1
1 684 . 6 1 1 A 54 54 TYR CB C 576 38.634 40.652 -2.018 1
1 687 . 6 1 1 A 54 54 TYR N N 576 131.097 126.529 4.568 1
1 688 . 6 1 1 A 55 55 GLY H H 577 8.388 8.961 -0.573 1
1 689 . 6 1 1 A 55 55 GLY HA2 H 577 3.056 3.852 -0.796 1
1 690 . 6 1 1 A 55 55 GLY HA3 H 577 4.307 3.910 0.397 1
1 691 . 6 1 1 A 55 55 GLY CA C 577 46.347 45.773 0.574 1
1 692 . 6 1 1 A 55 55 GLY N N 577 115.719 116.844 -1.125 1
1 693 . 6 1 1 A 56 56 VAL H H 578 7.143 7.231 -0.088 1
1 694 . 6 1 1 A 56 56 VAL HA H 578 3.410 4.096 -0.686 1
1 702 . 6 1 1 A 56 56 VAL CA C 578 60.335 60.793 -0.458 1
1 703 . 6 1 1 A 56 56 VAL CB C 578 35.027 33.794 1.233 1
1 706 . 6 1 1 A 56 56 VAL N N 578 124.853 119.508 5.345 1
1 707 . 6 1 1 A 57 57 ARG H H 579 8.091 8.454 -0.363 1
1 708 . 6 1 1 A 57 57 ARG HA H 579 4.292 4.236 0.056 1
1 715 . 6 1 1 A 57 57 ARG CA C 579 55.039 55.881 -0.842 1
1 716 . 6 1 1 A 57 57 ARG CB C 579 29.224 30.718 -1.494 1
1 719 . 6 1 1 A 57 57 ARG N N 579 124.754 128.237 -3.483 1
1 720 . 6 1 1 A 58 58 PHE H H 580 8.499 9.274 -0.775 1
1 721 . 6 1 1 A 58 58 PHE HA H 580 4.647 5.115 -0.468 1
1 729 . 6 1 1 A 58 58 PHE CA C 580 57.563 56.320 1.243 1
1 730 . 6 1 1 A 58 58 PHE CB C 580 42.026 41.670 0.356 1
1 734 . 6 1 1 A 58 58 PHE N N 580 124.105 124.252 -0.147 1
1 735 . 6 1 1 A 59 59 PHE H H 581 7.683 8.574 -0.891 1
1 736 . 6 1 1 A 59 59 PHE HA H 581 4.689 5.321 -0.632 1
1 743 . 6 1 1 A 59 59 PHE CA C 581 56.662 55.875 0.787 1
1 744 . 6 1 1 A 59 59 PHE CB C 581 41.024 40.674 0.350 1
1 747 . 6 1 1 A 59 59 PHE N N 581 119.707 123.031 -3.324 1
1 748 . 6 1 1 A 60 60 PHE H H 582 8.898 8.564 0.334 1
1 749 . 6 1 1 A 60 60 PHE HA H 582 5.563 4.827 0.736 1
1 757 . 6 1 1 A 60 60 PHE CA C 582 57.615 58.511 -0.896 1
1 758 . 6 1 1 A 60 60 PHE CB C 582 39.539 40.408 -0.869 1
1 762 . 6 1 1 A 60 60 PHE N N 582 127.157 126.179 0.978 1
1 763 . 6 1 1 A 61 61 TYR H H 583 8.441 8.742 -0.301 1
1 764 . 6 1 1 A 61 61 TYR HA H 583 5.301 5.238 0.063 1
1 771 . 6 1 1 A 61 61 TYR CA C 583 54.556 55.846 -1.290 1
1 772 . 6 1 1 A 61 61 TYR CB C 583 41.444 40.697 0.747 1
1 775 . 6 1 1 A 61 61 TYR N N 583 119.072 118.467 0.605 1
1 776 . 6 1 1 A 62 62 THR H H 584 9.444 8.529 0.915 1
1 777 . 6 1 1 A 62 62 THR HA H 584 4.680 4.970 -0.290 1
1 782 . 6 1 1 A 62 62 THR CA C 584 59.784 59.763 0.021 1
1 783 . 6 1 1 A 62 62 THR CB C 584 71.274 71.168 0.106 1
1 785 . 6 1 1 A 62 62 THR N N 584 113.469 112.783 0.686 1
1 786 . 6 1 1 A 63 63 SER H H 585 9.092 9.047 0.045 1
1 787 . 6 1 1 A 63 63 SER HA H 585 4.685 3.906 0.779 1
1 790 . 6 1 1 A 63 63 SER CA C 585 59.665 60.756 -1.091 1
1 791 . 6 1 1 A 63 63 SER CB C 585 62.835 63.071 -0.236 1
1 792 . 6 1 1 A 63 63 SER N N 585 114.155 118.393 -4.238 1
1 793 . 6 1 1 A 64 64 LYS H H 586 7.484 7.728 -0.244 1
1 794 . 6 1 1 A 64 64 LYS HA H 586 4.074 4.305 -0.231 1
1 803 . 6 1 1 A 64 64 LYS CA C 586 55.960 58.486 -2.526 1
1 804 . 6 1 1 A 64 64 LYS CB C 586 32.662 32.977 -0.315 1
1 808 . 6 1 1 A 64 64 LYS N N 586 118.230 118.517 -0.287 1
1 809 . 6 1 1 A 65 65 GLU H H 587 7.194 7.560 -0.366 1
1 810 . 6 1 1 A 65 65 GLU HA H 587 4.584 4.463 0.121 1
1 815 . 6 1 1 A 65 65 GLU CA C 587 53.443 55.054 -1.611 1
1 816 . 6 1 1 A 65 65 GLU CB C 587 30.381 30.173 0.208 1
1 818 . 6 1 1 A 65 65 GLU N N 587 124.837 121.348 3.489 1
1 819 . 6 1 1 A 66 66 PRO HA H 588 4.506 4.592 -0.086 1
1 826 . 6 1 1 A 66 66 PRO CA C 588 62.620 63.264 -0.644 1
1 827 . 6 1 1 A 66 66 PRO CB C 588 32.368 32.297 0.071 1
1 830 . 6 1 1 A 67 67 VAL H H 589 8.545 8.376 0.169 1
1 831 . 6 1 1 A 67 67 VAL HA H 589 3.136 3.285 -0.149 1
1 839 . 6 1 1 A 67 67 VAL CA C 589 66.588 66.714 -0.126 1
1 840 . 6 1 1 A 67 67 VAL CB C 589 30.979 31.454 -0.475 1
1 843 . 6 1 1 A 67 67 VAL N N 589 123.156 123.309 -0.153 1
1 844 . 6 1 1 A 68 68 ALA H H 590 8.700 8.438 0.262 1
1 845 . 6 1 1 A 68 68 ALA HA H 590 3.953 3.946 0.007 1
1 849 . 6 1 1 A 68 68 ALA CA C 590 54.867 55.598 -0.731 1
1 850 . 6 1 1 A 68 68 ALA CB C 590 18.134 18.526 -0.392 1
1 851 . 6 1 1 A 68 68 ALA N N 590 118.895 122.621 -3.726 1
1 852 . 6 1 1 A 69 69 SER H H 591 6.961 8.026 -1.065 1
1 853 . 6 1 1 A 69 69 SER HA H 591 4.195 4.185 0.010 1
1 856 . 6 1 1 A 69 69 SER CA C 591 60.029 61.592 -1.563 1
1 857 . 6 1 1 A 69 69 SER CB C 591 62.045 63.098 -1.053 1
1 858 . 6 1 1 A 69 69 SER N N 591 111.445 112.468 -1.023 1
1 859 . 6 1 1 A 70 70 ILE H H 592 7.386 7.996 -0.610 1
1 860 . 6 1 1 A 70 70 ILE HA H 592 3.361 3.752 -0.391 1
1 870 . 6 1 1 A 70 70 ILE CA C 592 65.332 64.541 0.791 1
1 871 . 6 1 1 A 70 70 ILE CB C 592 38.427 37.123 1.304 1
1 875 . 6 1 1 A 70 70 ILE N N 592 122.407 120.555 1.852 1
1 876 . 6 1 1 A 71 71 ILE H H 593 8.332 8.177 0.155 1
1 877 . 6 1 1 A 71 71 ILE HA H 593 3.256 3.500 -0.244 1
1 887 . 6 1 1 A 71 71 ILE CA C 593 65.023 64.816 0.207 1
1 888 . 6 1 1 A 71 71 ILE CB C 593 36.662 37.323 -0.661 1
1 892 . 6 1 1 A 71 71 ILE N N 593 117.779 122.049 -4.270 1
1 893 . 6 1 1 A 72 72 THR H H 594 7.834 8.088 -0.254 1
1 894 . 6 1 1 A 72 72 THR HA H 594 3.845 3.976 -0.131 1
1 899 . 6 1 1 A 72 72 THR CA C 594 67.376 66.395 0.981 1
1 900 . 6 1 1 A 72 72 THR CB C 594 68.291 68.767 -0.476 1
1 902 . 6 1 1 A 72 72 THR N N 594 117.154 116.237 0.917 1
1 903 . 6 1 1 A 73 73 LYS H H 595 7.803 7.624 0.179 1
1 904 . 6 1 1 A 73 73 LYS HA H 595 3.936 3.941 -0.005 1
1 913 . 6 1 1 A 73 73 LYS CA C 595 59.853 59.571 0.282 1
1 914 . 6 1 1 A 73 73 LYS CB C 595 32.531 32.261 0.270 1
1 918 . 6 1 1 A 73 73 LYS N N 595 122.657 120.267 2.390 1
1 919 . 6 1 1 A 74 74 LEU H H 596 8.088 8.226 -0.138 1
1 920 . 6 1 1 A 74 74 LEU HA H 596 3.681 4.009 -0.328 1
1 930 . 6 1 1 A 74 74 LEU CA C 596 57.217 57.016 0.201 1
1 931 . 6 1 1 A 74 74 LEU CB C 596 41.122 41.127 -0.005 1
1 935 . 6 1 1 A 74 74 LEU N N 596 119.593 119.704 -0.111 1
1 936 . 6 1 1 A 75 75 ASN H H 597 8.949 8.267 0.682 1
1 937 . 6 1 1 A 75 75 ASN HA H 597 4.471 4.418 0.053 1
1 942 . 6 1 1 A 75 75 ASN CA C 597 54.735 55.942 -1.207 1
1 943 . 6 1 1 A 75 75 ASN CB C 597 37.074 37.507 -0.433 1
1 944 . 6 1 1 A 75 75 ASN N N 597 121.103 118.698 2.405 1
1 946 . 6 1 1 A 76 76 SER H H 598 7.927 8.124 -0.197 1
1 947 . 6 1 1 A 76 76 SER HA H 598 4.137 4.125 0.012 1
1 950 . 6 1 1 A 76 76 SER CA C 598 60.952 61.454 -0.502 1
1 951 . 6 1 1 A 76 76 SER CB C 598 62.516 62.250 0.266 1
1 952 . 6 1 1 A 76 76 SER N N 598 116.716 114.510 2.206 1
1 953 . 6 1 1 A 77 77 LEU H H 599 7.543 7.154 0.389 1
1 954 . 6 1 1 A 77 77 LEU HA H 599 3.974 3.948 0.026 1
1 964 . 6 1 1 A 77 77 LEU CA C 599 57.200 57.773 -0.573 1
1 965 . 6 1 1 A 77 77 LEU CB C 599 41.749 41.921 -0.172 1
1 969 . 6 1 1 A 77 77 LEU N N 599 121.292 123.243 -1.951 1
1 970 . 6 1 1 A 78 78 ASN H H 600 7.755 8.411 -0.656 1
1 971 . 6 1 1 A 78 78 ASN HA H 600 4.114 4.256 -0.142 1
1 976 . 6 1 1 A 78 78 ASN CA C 600 53.603 54.561 -0.958 1
1 977 . 6 1 1 A 78 78 ASN CB C 600 37.688 38.066 -0.378 1
1 978 . 6 1 1 A 78 78 ASN N N 600 113.272 117.588 -4.316 1
1 980 . 6 1 1 A 79 79 GLU H H 601 8.389 7.965 0.424 1
1 981 . 6 1 1 A 79 79 GLU HA H 601 4.675 4.453 0.222 1
1 986 . 6 1 1 A 79 79 GLU CA C 601 53.418 54.668 -1.250 1
1 987 . 6 1 1 A 79 79 GLU CB C 601 30.704 28.640 2.064 1
1 989 . 6 1 1 A 79 79 GLU N N 601 118.840 119.333 -0.493 1
1 990 . 6 1 1 A 80 80 PRO HA H 602 4.771 4.890 -0.119 1
1 997 . 6 1 1 A 80 80 PRO CA C 602 62.189 62.489 -0.300 1
1 998 . 6 1 1 A 80 80 PRO CB C 602 32.196 32.019 0.177 1
1 1001 . 6 1 1 A 81 81 LEU H H 603 8.539 8.813 -0.274 1
1 1002 . 6 1 1 A 81 81 LEU HA H 603 5.766 5.272 0.494 1
1 1012 . 6 1 1 A 81 81 LEU CA C 603 53.432 53.105 0.327 1
1 1013 . 6 1 1 A 81 81 LEU CB C 603 48.114 46.098 2.016 1
1 1017 . 6 1 1 A 81 81 LEU N N 603 118.455 122.302 -3.847 1
1 1018 . 6 1 1 A 82 82 VAL H H 604 8.322 8.278 0.044 1
1 1019 . 6 1 1 A 82 82 VAL HA H 604 5.110 4.779 0.331 1
1 1027 . 6 1 1 A 82 82 VAL CA C 604 59.609 60.450 -0.841 1
1 1028 . 6 1 1 A 82 82 VAL CB C 604 34.100 34.648 -0.548 1
1 1031 . 6 1 1 A 82 82 VAL N N 604 121.259 120.443 0.816 1
1 1032 . 6 1 1 A 83 83 THR H H 605 8.570 8.824 -0.254 1
1 1033 . 6 1 1 A 83 83 THR HA H 605 5.107 4.857 0.250 1
1 1038 . 6 1 1 A 83 83 THR CA C 605 59.606 60.102 -0.496 1
1 1039 . 6 1 1 A 83 83 THR CB C 605 71.321 70.627 0.694 1
1 1041 . 6 1 1 A 83 83 THR N N 605 117.620 121.716 -4.096 1
1 1042 . 6 1 1 A 84 84 MET H H 606 8.288 8.625 -0.337 1
1 1043 . 6 1 1 A 84 84 MET HA H 606 5.310 4.854 0.456 1
1 1051 . 6 1 1 A 84 84 MET CA C 606 55.491 53.322 2.169 1
1 1052 . 6 1 1 A 84 84 MET CB C 606 31.549 33.772 -2.223 1
1 1055 . 6 1 1 A 84 84 MET N N 606 125.405 120.366 5.039 1
1 1056 . 6 1 1 A 85 85 PRO HA H 607 4.048 4.607 -0.559 1
1 1063 . 6 1 1 A 85 85 PRO CA C 607 63.608 63.040 0.568 1
1 1064 . 6 1 1 A 85 85 PRO CB C 607 31.291 31.642 -0.351 1
1 1067 . 6 1 1 A 86 86 ILE H H 608 8.326 8.546 -0.220 1
1 1068 . 6 1 1 A 86 86 ILE HA H 608 3.423 3.894 -0.471 1
1 1078 . 6 1 1 A 86 86 ILE CA C 608 63.457 64.412 -0.955 1
1 1079 . 6 1 1 A 86 86 ILE CB C 608 35.800 38.004 -2.204 1
1 1083 . 6 1 1 A 86 86 ILE N N 608 133.106 122.418 10.688 1
1 1084 . 6 1 1 A 87 87 GLY H H 609 8.549 8.042 0.507 1
1 1085 . 6 1 1 A 87 87 GLY HA2 H 609 3.448 3.309 0.139 1
1 1086 . 6 1 1 A 87 87 GLY HA3 H 609 4.101 3.502 0.599 1
1 1087 . 6 1 1 A 87 87 GLY CA C 609 44.556 46.730 -2.174 1
1 1088 . 6 1 1 A 87 87 GLY N N 609 111.653 108.720 2.933 1
1 1089 . 6 1 1 A 88 88 TYR H H 610 7.224 8.295 -1.071 1
1 1090 . 6 1 1 A 88 88 TYR HA H 610 4.437 4.942 -0.505 1
1 1097 . 6 1 1 A 88 88 TYR CA C 610 57.670 56.665 1.005 1
1 1098 . 6 1 1 A 88 88 TYR CB C 610 38.604 40.374 -1.770 1
1 1101 . 6 1 1 A 88 88 TYR N N 610 121.537 123.536 -1.999 1
1 1102 . 6 1 1 A 89 89 VAL H H 611 8.953 8.196 0.757 1
1 1103 . 6 1 1 A 89 89 VAL HA H 611 3.065 3.557 -0.492 1
1 1111 . 6 1 1 A 89 89 VAL CA C 611 70.009 66.465 3.544 1
1 1112 . 6 1 1 A 89 89 VAL CB C 611 30.422 31.509 -1.087 1
1 1115 . 6 1 1 A 89 89 VAL N N 611 128.074 122.057 6.017 1
1 1116 . 6 1 1 A 90 90 THR H H 612 9.348 8.018 1.330 1
1 1117 . 6 1 1 A 90 90 THR HA H 612 3.810 4.099 -0.289 1
1 1122 . 6 1 1 A 90 90 THR CA C 612 64.727 65.205 -0.478 1
1 1123 . 6 1 1 A 90 90 THR CB C 612 68.005 68.823 -0.818 1
1 1125 . 6 1 1 A 90 90 THR N N 612 117.972 112.053 5.919 1
1 1126 . 6 1 1 A 91 91 HIS H H 613 7.651 8.082 -0.431 1
1 1127 . 6 1 1 A 91 91 HIS HA H 613 4.685 4.550 0.135 1
1 1131 . 6 1 1 A 91 91 HIS CA C 613 55.419 55.904 -0.485 1
1 1132 . 6 1 1 A 91 91 HIS CB C 613 29.092 29.635 -0.543 1
1 1134 . 6 1 1 A 91 91 HIS N N 613 119.034 118.316 0.718 1
1 1135 . 6 1 1 A 92 92 GLY H H 614 7.655 8.070 -0.415 1
1 1136 . 6 1 1 A 92 92 GLY HA2 H 614 3.665 3.901 -0.236 1
1 1137 . 6 1 1 A 92 92 GLY HA3 H 614 4.095 3.955 0.140 1
1 1138 . 6 1 1 A 92 92 GLY CA C 614 45.035 46.522 -1.487 1
1 1139 . 6 1 1 A 92 92 GLY N N 614 106.031 109.183 -3.152 1
1 1140 . 6 1 1 A 93 93 PHE H H 615 6.716 7.992 -1.276 1
1 1141 . 6 1 1 A 93 93 PHE HA H 615 5.244 4.639 0.605 1
1 1149 . 6 1 1 A 93 93 PHE CA C 615 53.904 57.947 -4.043 1
1 1150 . 6 1 1 A 93 93 PHE CB C 615 38.587 41.054 -2.467 1
1 1154 . 6 1 1 A 93 93 PHE N N 615 116.220 118.320 -2.100 1
1 1155 . 6 1 1 A 94 94 ASN H H 616 9.141 8.582 0.559 1
1 1156 . 6 1 1 A 94 94 ASN HA H 616 4.956 5.244 -0.288 1
1 1161 . 6 1 1 A 94 94 ASN CA C 616 51.278 51.259 0.019 1
1 1162 . 6 1 1 A 94 94 ASN CB C 616 37.692 39.703 -2.011 1
1 1163 . 6 1 1 A 94 94 ASN N N 616 122.153 119.103 3.050 1
1 1165 . 6 1 1 A 95 95 LEU H H 617 8.684 9.047 -0.363 1
1 1166 . 6 1 1 A 95 95 LEU HA H 617 3.831 4.234 -0.403 1
1 1176 . 6 1 1 A 95 95 LEU CA C 617 58.457 57.665 0.792 1
1 1177 . 6 1 1 A 95 95 LEU CB C 617 41.985 41.852 0.133 1
1 1181 . 6 1 1 A 95 95 LEU N N 617 119.153 120.684 -1.531 1
1 1182 . 6 1 1 A 96 96 GLU H H 618 7.747 8.212 -0.465 1
1 1183 . 6 1 1 A 96 96 GLU HA H 618 2.864 3.022 -0.158 1
1 1188 . 6 1 1 A 96 96 GLU CA C 618 59.402 59.300 0.102 1
1 1189 . 6 1 1 A 96 96 GLU CB C 618 28.323 28.424 -0.101 1
1 1191 . 6 1 1 A 96 96 GLU N N 618 120.199 118.889 1.310 1
1 1192 . 6 1 1 A 97 97 GLU H H 619 8.503 8.274 0.229 1
1 1193 . 6 1 1 A 97 97 GLU HA H 619 3.497 3.942 -0.445 1
1 1198 . 6 1 1 A 97 97 GLU CA C 619 58.251 58.801 -0.550 1
1 1199 . 6 1 1 A 97 97 GLU CB C 619 29.073 29.631 -0.558 1
1 1201 . 6 1 1 A 97 97 GLU N N 619 118.988 118.967 0.021 1
1 1202 . 6 1 1 A 98 98 ALA H H 620 8.311 8.765 -0.454 1
1 1203 . 6 1 1 A 98 98 ALA HA H 620 4.211 4.619 -0.408 1
1 1207 . 6 1 1 A 98 98 ALA CA C 620 54.717 55.234 -0.517 1
1 1208 . 6 1 1 A 98 98 ALA CB C 620 18.635 18.356 0.279 1
1 1209 . 6 1 1 A 98 98 ALA N N 620 121.102 123.166 -2.064 1
1 1210 . 6 1 1 A 99 99 ALA H H 621 8.570 8.349 0.221 1
1 1211 . 6 1 1 A 99 99 ALA HA H 621 3.831 3.756 0.075 1
1 1215 . 6 1 1 A 99 99 ALA CA C 621 55.004 55.251 -0.247 1
1 1216 . 6 1 1 A 99 99 ALA CB C 621 18.548 17.982 0.566 1
1 1217 . 6 1 1 A 99 99 ALA N N 621 121.431 120.130 1.301 1
1 1218 . 6 1 1 A 100 100 ARG H H 622 7.646 8.313 -0.667 1
1 1219 . 6 1 1 A 100 100 ARG HA H 622 3.636 4.033 -0.397 1
1 1226 . 6 1 1 A 100 100 ARG CA C 622 59.556 58.800 0.756 1
1 1227 . 6 1 1 A 100 100 ARG CB C 622 29.420 30.041 -0.621 1
1 1230 . 6 1 1 A 100 100 ARG N N 622 114.812 116.653 -1.841 1
1 1231 . 6 1 1 A 101 101 CYS H H 623 7.503 8.221 -0.718 1
1 1232 . 6 1 1 A 101 101 CYS HA H 623 4.081 4.256 -0.175 1
1 1235 . 6 1 1 A 101 101 CYS CA C 623 62.364 62.399 -0.035 1
1 1236 . 6 1 1 A 101 101 CYS CB C 623 26.301 27.468 -1.167 1
1 1237 . 6 1 1 A 101 101 CYS N N 623 118.667 119.002 -0.335 1
1 1238 . 6 1 1 A 102 102 MET H H 624 8.332 7.971 0.361 1
1 1239 . 6 1 1 A 102 102 MET HA H 624 4.165 4.447 -0.282 1
1 1247 . 6 1 1 A 102 102 MET CA C 624 55.808 56.785 -0.977 1
1 1248 . 6 1 1 A 102 102 MET CB C 624 30.500 31.305 -0.805 1
1 1251 . 6 1 1 A 102 102 MET N N 624 119.480 119.384 0.096 1
1 1252 . 6 1 1 A 103 103 ARG H H 625 7.505 7.909 -0.404 1
1 1253 . 6 1 1 A 103 103 ARG HA H 625 4.022 4.144 -0.122 1
1 1260 . 6 1 1 A 103 103 ARG CA C 625 58.658 58.697 -0.039 1
1 1261 . 6 1 1 A 103 103 ARG CB C 625 30.413 30.028 0.385 1
1 1264 . 6 1 1 A 103 103 ARG N N 625 120.614 119.359 1.255 1
1 1265 . 6 1 1 A 104 104 SER H H 626 7.635 7.534 0.101 1
1 1266 . 6 1 1 A 104 104 SER HA H 626 4.278 4.460 -0.182 1
1 1269 . 6 1 1 A 104 104 SER CA C 626 58.925 59.288 -0.363 1
1 1270 . 6 1 1 A 104 104 SER CB C 626 63.785 63.904 -0.119 1
1 1271 . 6 1 1 A 104 104 SER N N 626 111.144 113.014 -1.870 1
1 1272 . 6 1 1 A 105 105 LEU H H 627 7.602 7.563 0.039 1
1 1273 . 6 1 1 A 105 105 LEU HA H 627 4.387 4.573 -0.186 1
1 1283 . 6 1 1 A 105 105 LEU CA C 627 55.025 55.464 -0.439 1
1 1284 . 6 1 1 A 105 105 LEU CB C 627 42.360 42.833 -0.473 1
1 1288 . 6 1 1 A 105 105 LEU N N 627 125.064 122.755 2.309 1
1 1289 . 6 1 1 A 106 106 LYS H H 628 9.724 9.108 0.616 1
1 1290 . 6 1 1 A 106 106 LYS HA H 628 4.244 4.661 -0.417 1
1 1299 . 6 1 1 A 106 106 LYS CA C 628 54.781 55.826 -1.045 1
1 1300 . 6 1 1 A 106 106 LYS CB C 628 33.456 34.534 -1.078 1
1 1304 . 6 1 1 A 106 106 LYS N N 628 128.616 124.214 4.402 1
1 1305 . 6 1 1 A 107 107 ALA H H 629 6.593 7.048 -0.455 1
1 1306 . 6 1 1 A 107 107 ALA HA H 629 4.420 4.531 -0.111 1
1 1310 . 6 1 1 A 107 107 ALA CA C 629 50.003 50.785 -0.782 1
1 1311 . 6 1 1 A 107 107 ALA CB C 629 17.219 18.570 -1.351 1
1 1312 . 6 1 1 A 107 107 ALA N N 629 124.084 123.507 0.577 1
1 1313 . 6 1 1 A 108 108 PRO HA H 630 4.302 4.805 -0.503 1
1 1320 . 6 1 1 A 108 108 PRO CA C 630 62.816 62.325 0.491 1
1 1321 . 6 1 1 A 108 108 PRO CB C 630 31.743 31.056 0.687 1
1 1324 . 6 1 1 A 109 109 ALA H H 631 7.898 8.462 -0.564 1
1 1325 . 6 1 1 A 109 109 ALA HA H 631 5.092 5.062 0.030 1
1 1329 . 6 1 1 A 109 109 ALA CA C 631 50.966 50.824 0.142 1
1 1330 . 6 1 1 A 109 109 ALA CB C 631 22.217 20.599 1.618 1
1 1331 . 6 1 1 A 109 109 ALA N N 631 122.466 126.784 -4.318 1
1 1332 . 6 1 1 A 110 110 VAL H H 632 8.071 8.800 -0.729 1
1 1333 . 6 1 1 A 110 110 VAL HA H 632 4.167 4.234 -0.067 1
1 1341 . 6 1 1 A 110 110 VAL CA C 632 61.685 62.903 -1.218 1
1 1342 . 6 1 1 A 110 110 VAL CB C 632 32.856 32.228 0.628 1
1 1345 . 6 1 1 A 110 110 VAL N N 632 125.531 121.730 3.801 1
1 1346 . 6 1 1 A 111 111 VAL H H 633 8.182 8.221 -0.039 1
1 1347 . 6 1 1 A 111 111 VAL HA H 633 4.731 4.582 0.149 1
1 1355 . 6 1 1 A 111 111 VAL CA C 633 59.473 61.256 -1.783 1
1 1356 . 6 1 1 A 111 111 VAL CB C 633 32.919 33.727 -0.808 1
1 1359 . 6 1 1 A 111 111 VAL N N 633 128.148 128.366 -0.218 1
1 1360 . 6 1 1 A 112 112 SER H H 634 8.591 9.191 -0.600 1
1 1361 . 6 1 1 A 112 112 SER HA H 634 4.920 4.726 0.194 1
1 1364 . 6 1 1 A 112 112 SER CA C 634 53.905 56.820 -2.915 1
1 1365 . 6 1 1 A 112 112 SER CB C 634 64.651 63.539 1.112 1
1 1366 . 6 1 1 A 112 112 SER N N 634 119.276 123.096 -3.820 1
1 1367 . 6 1 1 A 113 113 VAL H H 635 8.503 8.296 0.207 1
1 1368 . 6 1 1 A 113 113 VAL HA H 635 4.522 4.252 0.270 1
1 1376 . 6 1 1 A 113 113 VAL CA C 635 59.398 61.260 -1.862 1
1 1377 . 6 1 1 A 113 113 VAL CB C 635 32.548 33.646 -1.098 1
1 1380 . 6 1 1 A 113 113 VAL N N 635 118.886 124.938 -6.052 1
1 1381 . 6 1 1 A 114 114 SER H H 636 8.263 8.889 -0.626 1
1 1382 . 6 1 1 A 114 114 SER HA H 636 3.940 4.366 -0.426 1
1 1385 . 6 1 1 A 114 114 SER CA C 636 61.597 61.294 0.303 1
1 1386 . 6 1 1 A 114 114 SER CB C 636 63.321 63.630 -0.309 1
1 1387 . 6 1 1 A 114 114 SER N N 636 112.710 116.894 -4.184 1
1 1388 . 6 1 1 A 115 115 SER H H 637 7.269 8.020 -0.751 1
1 1389 . 6 1 1 A 115 115 SER HA H 637 4.956 4.994 -0.038 1
1 1392 . 6 1 1 A 115 115 SER CA C 637 55.674 55.607 0.067 1
1 1393 . 6 1 1 A 115 115 SER CB C 637 64.074 65.297 -1.223 1
1 1394 . 6 1 1 A 115 115 SER N N 637 114.537 112.767 1.770 1
1 1395 . 6 1 1 A 116 116 PRO HA H 638 4.186 4.430 -0.244 1
1 1402 . 6 1 1 A 116 116 PRO CA C 638 65.021 64.806 0.215 1
1 1403 . 6 1 1 A 116 116 PRO CB C 638 31.908 32.086 -0.178 1
1 1406 . 6 1 1 A 117 117 ASP H H 639 8.161 8.395 -0.234 1
1 1407 . 6 1 1 A 117 117 ASP HA H 639 4.359 4.429 -0.070 1
1 1410 . 6 1 1 A 117 117 ASP CA C 639 55.928 56.820 -0.892 1
1 1411 . 6 1 1 A 117 117 ASP CB C 639 40.088 40.608 -0.520 1
1 1412 . 6 1 1 A 117 117 ASP N N 639 116.310 117.271 -0.961 1
1 1413 . 6 1 1 A 118 118 ALA H H 640 7.596 7.761 -0.165 1
1 1414 . 6 1 1 A 118 118 ALA HA H 640 4.225 4.153 0.072 1
1 1418 . 6 1 1 A 118 118 ALA CA C 640 52.964 54.634 -1.670 1
1 1419 . 6 1 1 A 118 118 ALA CB C 640 18.334 18.339 -0.005 1
1 1420 . 6 1 1 A 118 118 ALA N N 640 121.066 121.380 -0.314 1
1 1421 . 6 1 1 A 119 119 VAL H H 641 7.280 7.463 -0.183 1
1 1422 . 6 1 1 A 119 119 VAL HA H 641 3.221 3.483 -0.262 1
1 1430 . 6 1 1 A 119 119 VAL CA C 641 66.608 67.018 -0.410 1
1 1431 . 6 1 1 A 119 119 VAL CB C 641 31.436 31.698 -0.262 1
1 1434 . 6 1 1 A 119 119 VAL N N 641 120.886 119.320 1.566 1
1 1435 . 6 1 1 A 120 120 THR H H 642 7.475 8.130 -0.655 1
1 1436 . 6 1 1 A 120 120 THR HA H 642 3.840 3.938 -0.098 1
1 1441 . 6 1 1 A 120 120 THR CA C 642 65.297 65.799 -0.502 1
1 1442 . 6 1 1 A 120 120 THR CB C 642 68.042 68.658 -0.616 1
1 1444 . 6 1 1 A 120 120 THR N N 642 112.821 115.304 -2.483 1
1 1445 . 6 1 1 A 121 121 THR H H 643 7.328 8.078 -0.750 1
1 1446 . 6 1 1 A 121 121 THR HA H 643 3.477 3.718 -0.241 1
1 1451 . 6 1 1 A 121 121 THR CA C 643 65.341 66.507 -1.166 1
1 1452 . 6 1 1 A 121 121 THR CB C 643 68.196 68.447 -0.251 1
1 1454 . 6 1 1 A 121 121 THR N N 643 119.194 116.953 2.241 1
1 1455 . 6 1 1 A 122 122 TYR H H 644 8.766 8.329 0.437 1
1 1456 . 6 1 1 A 122 122 TYR HA H 644 3.764 4.227 -0.463 1
1 1463 . 6 1 1 A 122 122 TYR CA C 644 62.340 62.018 0.322 1
1 1464 . 6 1 1 A 122 122 TYR CB C 644 39.106 38.417 0.689 1
1 1467 . 6 1 1 A 122 122 TYR N N 644 122.838 121.087 1.751 1
1 1468 . 6 1 1 A 123 123 ASN H H 645 8.290 8.448 -0.158 1
1 1469 . 6 1 1 A 123 123 ASN HA H 645 4.299 4.399 -0.100 1
1 1474 . 6 1 1 A 123 123 ASN CA C 645 55.018 56.115 -1.097 1
1 1475 . 6 1 1 A 123 123 ASN CB C 645 36.967 37.880 -0.913 1
1 1476 . 6 1 1 A 123 123 ASN N N 645 116.356 117.782 -1.426 1
1 1478 . 6 1 1 A 124 124 GLY H H 646 7.768 8.410 -0.642 1
1 1479 . 6 1 1 A 124 124 GLY HA2 H 646 3.639 3.533 0.106 1
1 1480 . 6 1 1 A 124 124 GLY HA3 H 646 3.707 3.655 0.052 1
1 1481 . 6 1 1 A 124 124 GLY CA C 646 46.521 47.197 -0.676 1
1 1482 . 6 1 1 A 124 124 GLY N N 646 108.260 108.118 0.142 1
1 1483 . 6 1 1 A 125 125 TYR H H 647 7.386 7.352 0.034 1
1 1484 . 6 1 1 A 125 125 TYR HA H 647 4.608 4.539 0.069 1
1 1491 . 6 1 1 A 125 125 TYR CA C 647 57.204 59.647 -2.443 1
1 1492 . 6 1 1 A 125 125 TYR CB C 647 37.557 37.670 -0.113 1
1 1495 . 6 1 1 A 125 125 TYR N N 647 120.587 121.230 -0.643 1
1 1496 . 6 1 1 A 126 126 LEU H H 648 7.802 8.253 -0.451 1
1 1497 . 6 1 1 A 126 126 LEU HA H 648 3.801 3.707 0.094 1
1 1507 . 6 1 1 A 126 126 LEU CA C 648 56.663 58.116 -1.453 1
1 1508 . 6 1 1 A 126 126 LEU CB C 648 42.298 41.726 0.572 1
1 1512 . 6 1 1 A 126 126 LEU N N 648 119.234 120.247 -1.013 1
1 1513 . 6 1 1 A 127 127 THR H H 649 7.473 8.137 -0.664 1
1 1514 . 6 1 1 A 127 127 THR HA H 649 4.238 4.008 0.230 1
1 1519 . 6 1 1 A 127 127 THR CA C 649 61.868 65.255 -3.387 1
1 1520 . 6 1 1 A 127 127 THR CB C 649 69.451 68.201 1.250 1
1 1522 . 6 1 1 A 127 127 THR N N 649 108.633 112.245 -3.612 1
1 1523 . 6 1 1 A 128 128 SER H H 650 7.696 8.418 -0.722 1
1 1524 . 6 1 1 A 128 128 SER HA H 650 4.439 4.123 0.316 1
1 1527 . 6 1 1 A 128 128 SER CA C 650 58.451 59.485 -1.034 1
1 1528 . 6 1 1 A 128 128 SER CB C 650 63.763 61.458 2.305 1
1 1529 . 6 1 1 A 128 128 SER N N 650 117.667 113.405 4.262 1
1 1 . 7 1 1 A 2 2 SER HA H -3 4.607 4.314 0.293 1
1 4 . 7 1 1 A 2 2 SER C C -3 174.489 173.692 0.797 1
1 5 . 7 1 1 A 2 2 SER CA C -3 56.994 60.812 -3.818 1
1 6 . 7 1 1 A 2 2 SER CB C -3 64.641 61.972 2.669 1
1 7 . 7 1 1 A 2 2 SER N N -3 115.970 115.363 0.607 1
1 8 . 7 1 1 A 3 3 HIS H H -2 8.138 8.862 -0.724 1
1 9 . 7 1 1 A 3 3 HIS HA H -2 4.558 4.423 0.135 1
1 13 . 7 1 1 A 3 3 HIS C C -2 176.502 174.434 2.068 1
1 14 . 7 1 1 A 3 3 HIS CA C -2 56.164 57.344 -1.180 1
1 15 . 7 1 1 A 3 3 HIS CB C -2 30.643 29.400 1.243 1
1 17 . 7 1 1 A 3 3 HIS N N -2 122.640 120.861 1.779 1
1 39 . 7 1 1 A 6 6 THR H H 528 7.755 8.642 -0.887 1
1 40 . 7 1 1 A 6 6 THR HA H 528 5.155 4.599 0.556 1
1 45 . 7 1 1 A 6 6 THR C C 528 174.544 174.132 0.412 1
1 46 . 7 1 1 A 6 6 THR CA C 528 60.657 62.758 -2.101 1
1 47 . 7 1 1 A 6 6 THR CB C 528 68.218 69.705 -1.487 1
1 49 . 7 1 1 A 6 6 THR N N 528 118.293 114.909 3.384 1
1 50 . 7 1 1 A 7 7 VAL H H 529 8.966 8.640 0.326 1
1 51 . 7 1 1 A 7 7 VAL HA H 529 4.240 4.767 -0.527 1
1 59 . 7 1 1 A 7 7 VAL C C 529 174.012 175.059 -1.047 1
1 60 . 7 1 1 A 7 7 VAL CA C 529 58.309 58.856 -0.547 1
1 61 . 7 1 1 A 7 7 VAL CB C 529 35.661 35.547 0.114 1
1 64 . 7 1 1 A 7 7 VAL N N 529 121.381 118.028 3.353 1
1 65 . 7 1 1 A 8 8 SER H H 530 8.193 8.359 -0.166 1
1 66 . 7 1 1 A 8 8 SER HA H 530 4.825 4.936 -0.111 1
1 69 . 7 1 1 A 8 8 SER C C 530 172.908 174.828 -1.920 1
1 70 . 7 1 1 A 8 8 SER CA C 530 55.790 57.444 -1.654 1
1 71 . 7 1 1 A 8 8 SER CB C 530 62.800 63.019 -0.219 1
1 72 . 7 1 1 A 8 8 SER N N 530 113.044 114.891 -1.847 1
1 73 . 7 1 1 A 9 9 TRP H H 531 7.595 7.201 0.394 1
1 74 . 7 1 1 A 9 9 TRP HA H 531 5.353 4.910 0.443 1
1 83 . 7 1 1 A 9 9 TRP C C 531 177.031 176.329 0.702 1
1 84 . 7 1 1 A 9 9 TRP CA C 531 51.902 58.332 -6.430 1
1 85 . 7 1 1 A 9 9 TRP CB C 531 32.848 30.142 2.706 1
1 91 . 7 1 1 A 9 9 TRP N N 531 124.627 124.462 0.165 1
1 93 . 7 1 1 A 10 10 ASN H H 532 9.312 8.598 0.714 1
1 94 . 7 1 1 A 10 10 ASN HA H 532 4.601 5.038 -0.437 1
1 99 . 7 1 1 A 10 10 ASN C C 532 175.214 175.706 -0.492 1
1 100 . 7 1 1 A 10 10 ASN CA C 532 51.428 52.460 -1.032 1
1 101 . 7 1 1 A 10 10 ASN CB C 532 38.140 39.393 -1.253 1
1 102 . 7 1 1 A 10 10 ASN N N 532 121.842 121.847 -0.005 1
1 104 . 7 1 1 A 11 11 LEU H H 533 8.503 8.802 -0.299 1
1 105 . 7 1 1 A 11 11 LEU HA H 533 4.086 4.142 -0.056 1
1 115 . 7 1 1 A 11 11 LEU C C 533 178.309 178.701 -0.392 1
1 116 . 7 1 1 A 11 11 LEU CA C 533 58.491 58.149 0.342 1
1 117 . 7 1 1 A 11 11 LEU CB C 533 41.525 41.354 0.171 1
1 121 . 7 1 1 A 11 11 LEU N N 533 119.723 120.736 -1.013 1
1 122 . 7 1 1 A 12 12 ARG H H 534 8.057 8.332 -0.275 1
1 123 . 7 1 1 A 12 12 ARG HA H 534 3.840 4.078 -0.238 1
1 130 . 7 1 1 A 12 12 ARG C C 534 179.597 179.378 0.219 1
1 131 . 7 1 1 A 12 12 ARG CA C 534 59.873 59.602 0.271 1
1 132 . 7 1 1 A 12 12 ARG CB C 534 29.076 29.964 -0.888 1
1 135 . 7 1 1 A 12 12 ARG N N 534 117.711 119.846 -2.135 1
1 136 . 7 1 1 A 13 13 GLU H H 535 8.342 8.416 -0.074 1
1 137 . 7 1 1 A 13 13 GLU HA H 535 3.724 3.964 -0.240 1
1 142 . 7 1 1 A 13 13 GLU C C 535 179.948 179.514 0.434 1
1 143 . 7 1 1 A 13 13 GLU CA C 535 58.753 59.163 -0.410 1
1 144 . 7 1 1 A 13 13 GLU CB C 535 29.402 29.198 0.204 1
1 146 . 7 1 1 A 13 13 GLU N N 535 121.501 119.915 1.586 1
1 147 . 7 1 1 A 14 14 MET H H 536 8.684 8.341 0.343 1
1 148 . 7 1 1 A 14 14 MET HA H 536 3.945 4.374 -0.429 1
1 156 . 7 1 1 A 14 14 MET C C 536 177.364 178.944 -1.580 1
1 157 . 7 1 1 A 14 14 MET CA C 536 60.550 58.915 1.635 1
1 158 . 7 1 1 A 14 14 MET CB C 536 34.412 33.259 1.153 1
1 161 . 7 1 1 A 14 14 MET N N 536 120.565 119.891 0.674 1
1 162 . 7 1 1 A 15 15 LEU H H 537 8.731 8.456 0.275 1
1 163 . 7 1 1 A 15 15 LEU HA H 537 3.970 4.136 -0.166 1
1 173 . 7 1 1 A 15 15 LEU C C 537 178.544 178.928 -0.384 1
1 174 . 7 1 1 A 15 15 LEU CA C 537 57.723 58.063 -0.340 1
1 175 . 7 1 1 A 15 15 LEU CB C 537 41.396 41.766 -0.370 1
1 179 . 7 1 1 A 15 15 LEU N N 537 118.710 119.678 -0.968 1
1 180 . 7 1 1 A 16 16 ALA H H 538 7.816 8.611 -0.795 1
1 181 . 7 1 1 A 16 16 ALA HA H 538 4.026 4.098 -0.072 1
1 185 . 7 1 1 A 16 16 ALA C C 538 180.374 179.348 1.026 1
1 186 . 7 1 1 A 16 16 ALA CA C 538 54.734 55.231 -0.497 1
1 187 . 7 1 1 A 16 16 ALA CB C 538 17.670 18.670 -1.000 1
1 188 . 7 1 1 A 16 16 ALA N N 538 120.155 121.465 -1.310 1
1 189 . 7 1 1 A 17 17 HIS H H 539 7.715 8.305 -0.590 1
1 190 . 7 1 1 A 17 17 HIS HA H 539 4.180 4.107 0.073 1
1 194 . 7 1 1 A 17 17 HIS C C 539 179.167 176.787 2.380 1
1 195 . 7 1 1 A 17 17 HIS CA C 539 59.392 59.716 -0.324 1
1 196 . 7 1 1 A 17 17 HIS CB C 539 29.094 29.517 -0.423 1
1 198 . 7 1 1 A 17 17 HIS N N 539 117.446 118.150 -0.704 1
1 199 . 7 1 1 A 18 18 ALA H H 540 8.995 8.613 0.382 1
1 200 . 7 1 1 A 18 18 ALA HA H 540 3.656 3.949 -0.293 1
1 204 . 7 1 1 A 18 18 ALA C C 540 180.803 179.272 1.531 1
1 205 . 7 1 1 A 18 18 ALA CA C 540 55.762 55.321 0.441 1
1 206 . 7 1 1 A 18 18 ALA CB C 540 18.380 18.187 0.193 1
1 207 . 7 1 1 A 18 18 ALA N N 540 124.222 121.016 3.206 1
1 208 . 7 1 1 A 19 19 GLU H H 541 8.840 8.330 0.510 1
1 209 . 7 1 1 A 19 19 GLU HA H 541 3.695 3.889 -0.194 1
1 214 . 7 1 1 A 19 19 GLU C C 541 178.479 178.606 -0.127 1
1 215 . 7 1 1 A 19 19 GLU CA C 541 59.695 59.692 0.003 1
1 216 . 7 1 1 A 19 19 GLU CB C 541 29.740 29.049 0.691 1
1 218 . 7 1 1 A 19 19 GLU N N 541 121.086 117.949 3.137 1
1 219 . 7 1 1 A 20 20 GLU H H 542 7.649 8.444 -0.795 1
1 220 . 7 1 1 A 20 20 GLU HA H 542 3.980 4.040 -0.060 1
1 225 . 7 1 1 A 20 20 GLU C C 542 178.212 178.818 -0.606 1
1 226 . 7 1 1 A 20 20 GLU CA C 542 58.593 59.248 -0.655 1
1 227 . 7 1 1 A 20 20 GLU CB C 542 30.293 29.564 0.729 1
1 229 . 7 1 1 A 20 20 GLU N N 542 117.027 118.743 -1.716 1
1 230 . 7 1 1 A 21 21 THR H H 543 7.588 7.971 -0.383 1
1 231 . 7 1 1 A 21 21 THR HA H 543 4.105 4.191 -0.086 1
1 236 . 7 1 1 A 21 21 THR C C 543 175.320 174.090 1.230 1
1 237 . 7 1 1 A 21 21 THR CA C 543 62.110 62.391 -0.281 1
1 238 . 7 1 1 A 21 21 THR CB C 543 70.747 69.159 1.588 1
1 240 . 7 1 1 A 21 21 THR N N 543 105.058 110.287 -5.229 1
1 241 . 7 1 1 A 22 22 ARG H H 544 7.678 7.636 0.042 1
1 242 . 7 1 1 A 22 22 ARG HA H 544 3.925 3.973 -0.048 1
1 249 . 7 1 1 A 22 22 ARG C C 544 175.207 174.677 0.530 1
1 250 . 7 1 1 A 22 22 ARG CA C 544 55.996 56.898 -0.902 1
1 251 . 7 1 1 A 22 22 ARG CB C 544 24.959 27.819 -2.860 1
1 254 . 7 1 1 A 22 22 ARG N N 544 116.694 117.701 -1.007 1
1 255 . 7 1 1 A 23 23 LYS H H 545 6.931 7.803 -0.872 1
1 256 . 7 1 1 A 23 23 LYS HA H 545 4.169 4.774 -0.605 1
1 265 . 7 1 1 A 23 23 LYS C C 545 174.855 175.130 -0.275 1
1 266 . 7 1 1 A 23 23 LYS CA C 545 56.339 54.388 1.951 1
1 267 . 7 1 1 A 23 23 LYS CB C 545 36.104 34.627 1.477 1
1 271 . 7 1 1 A 23 23 LYS N N 545 117.744 117.955 -0.211 1
1 272 . 7 1 1 A 24 24 LEU H H 546 7.898 7.952 -0.054 1
1 273 . 7 1 1 A 24 24 LEU HA H 546 4.487 4.975 -0.488 1
1 283 . 7 1 1 A 24 24 LEU C C 546 175.730 175.340 0.390 1
1 284 . 7 1 1 A 24 24 LEU CA C 546 54.171 54.788 -0.617 1
1 285 . 7 1 1 A 24 24 LEU CB C 546 43.228 43.328 -0.100 1
1 289 . 7 1 1 A 24 24 LEU N N 546 122.692 124.164 -1.472 1
1 290 . 7 1 1 A 25 25 MET H H 547 8.767 8.720 0.047 1
1 291 . 7 1 1 A 25 25 MET HA H 547 5.728 5.105 0.623 1
1 299 . 7 1 1 A 25 25 MET CA C 547 51.900 52.434 -0.534 1
1 300 . 7 1 1 A 25 25 MET CB C 547 34.876 34.394 0.482 1
1 303 . 7 1 1 A 25 25 MET N N 547 126.346 125.870 0.476 1
1 304 . 7 1 1 A 26 26 PRO HA H 548 5.994 5.169 0.825 1
1 311 . 7 1 1 A 26 26 PRO C C 548 176.241 176.388 -0.147 1
1 312 . 7 1 1 A 26 26 PRO CA C 548 61.285 62.946 -1.661 1
1 313 . 7 1 1 A 26 26 PRO CB C 548 32.260 32.659 -0.399 1
1 316 . 7 1 1 A 27 27 ILE H H 549 9.054 8.653 0.401 1
1 317 . 7 1 1 A 27 27 ILE HA H 549 4.284 4.751 -0.467 1
1 327 . 7 1 1 A 27 27 ILE C C 549 173.407 174.963 -1.556 1
1 328 . 7 1 1 A 27 27 ILE CA C 549 57.503 59.566 -2.063 1
1 329 . 7 1 1 A 27 27 ILE CB C 549 41.581 42.191 -0.610 1
1 333 . 7 1 1 A 27 27 ILE N N 549 126.281 121.575 4.706 1
1 334 . 7 1 1 A 28 28 CYS H H 550 8.459 8.515 -0.056 1
1 335 . 7 1 1 A 28 28 CYS HA H 550 3.704 3.461 0.243 1
1 339 . 7 1 1 A 28 28 CYS C C 550 174.180 175.809 -1.629 1
1 340 . 7 1 1 A 28 28 CYS CA C 550 56.873 58.508 -1.635 1
1 341 . 7 1 1 A 28 28 CYS CB C 550 27.537 28.201 -0.664 1
1 342 . 7 1 1 A 28 28 CYS N N 550 125.844 126.498 -0.654 1
1 343 . 7 1 1 A 29 29 MET H H 551 8.782 8.801 -0.019 1
1 344 . 7 1 1 A 29 29 MET HA H 551 4.637 4.053 0.584 1
1 352 . 7 1 1 A 29 29 MET C C 551 174.613 177.690 -3.077 1
1 353 . 7 1 1 A 29 29 MET CA C 551 56.871 56.802 0.069 1
1 354 . 7 1 1 A 29 29 MET CB C 551 34.394 31.041 3.353 1
1 357 . 7 1 1 A 29 29 MET N N 551 127.467 127.053 0.414 1
1 358 . 7 1 1 A 30 30 ASP H H 552 7.308 8.195 -0.887 1
1 359 . 7 1 1 A 30 30 ASP HA H 552 4.562 4.312 0.250 1
1 362 . 7 1 1 A 30 30 ASP C C 552 175.386 176.208 -0.822 1
1 363 . 7 1 1 A 30 30 ASP CA C 552 54.371 56.542 -2.171 1
1 364 . 7 1 1 A 30 30 ASP CB C 552 41.751 40.899 0.852 1
1 365 . 7 1 1 A 30 30 ASP N N 552 117.209 121.151 -3.942 1
1 366 . 7 1 1 A 31 31 VAL H H 553 7.257 7.444 -0.187 1
1 367 . 7 1 1 A 31 31 VAL HA H 553 4.057 4.163 -0.106 1
1 375 . 7 1 1 A 31 31 VAL C C 553 175.729 176.999 -1.270 1
1 376 . 7 1 1 A 31 31 VAL CA C 553 61.834 61.799 0.035 1
1 377 . 7 1 1 A 31 31 VAL CB C 553 30.034 30.447 -0.413 1
1 380 . 7 1 1 A 31 31 VAL N N 553 120.645 118.079 2.566 1
1 381 . 7 1 1 A 32 32 ARG H H 554 8.412 8.139 0.273 1
1 382 . 7 1 1 A 32 32 ARG HA H 554 3.794 3.978 -0.184 1
1 389 . 7 1 1 A 32 32 ARG C C 554 178.819 178.030 0.789 1
1 390 . 7 1 1 A 32 32 ARG CA C 554 59.725 58.882 0.843 1
1 391 . 7 1 1 A 32 32 ARG CB C 554 29.537 29.748 -0.211 1
1 394 . 7 1 1 A 32 32 ARG N N 554 130.554 126.001 4.553 1
1 395 . 7 1 1 A 33 33 ALA H H 555 9.094 7.976 1.118 1
1 396 . 7 1 1 A 33 33 ALA HA H 555 4.081 4.061 0.020 1
1 400 . 7 1 1 A 33 33 ALA C C 555 180.716 180.150 0.566 1
1 401 . 7 1 1 A 33 33 ALA CA C 555 55.002 55.072 -0.070 1
1 402 . 7 1 1 A 33 33 ALA CB C 555 18.462 18.272 0.190 1
1 403 . 7 1 1 A 33 33 ALA N N 555 119.862 121.845 -1.983 1
1 404 . 7 1 1 A 34 34 ILE H H 556 6.620 7.560 -0.940 1
1 405 . 7 1 1 A 34 34 ILE HA H 556 3.745 3.612 0.133 1
1 415 . 7 1 1 A 34 34 ILE C C 556 177.540 177.811 -0.271 1
1 416 . 7 1 1 A 34 34 ILE CA C 556 64.101 65.254 -1.153 1
1 417 . 7 1 1 A 34 34 ILE CB C 556 38.397 37.848 0.549 1
1 421 . 7 1 1 A 34 34 ILE N N 556 116.216 119.490 -3.274 1
1 422 . 7 1 1 A 35 35 MET H H 557 7.619 8.344 -0.725 1
1 423 . 7 1 1 A 35 35 MET HA H 557 4.249 4.055 0.194 1
1 431 . 7 1 1 A 35 35 MET C C 557 178.737 178.158 0.579 1
1 432 . 7 1 1 A 35 35 MET CA C 557 56.113 58.705 -2.592 1
1 433 . 7 1 1 A 35 35 MET CB C 557 29.490 32.572 -3.082 1
1 436 . 7 1 1 A 35 35 MET N N 557 118.017 118.119 -0.102 1
1 437 . 7 1 1 A 36 36 ALA H H 558 8.410 7.997 0.413 1
1 438 . 7 1 1 A 36 36 ALA HA H 558 4.084 4.113 -0.029 1
1 442 . 7 1 1 A 36 36 ALA C C 558 180.632 179.518 1.114 1
1 443 . 7 1 1 A 36 36 ALA CA C 558 55.024 54.903 0.121 1
1 444 . 7 1 1 A 36 36 ALA CB C 558 17.698 18.435 -0.737 1
1 445 . 7 1 1 A 36 36 ALA N N 558 121.592 121.271 0.321 1
1 446 . 7 1 1 A 37 37 THR H H 559 7.294 8.097 -0.803 1
1 447 . 7 1 1 A 37 37 THR HA H 559 3.858 3.981 -0.123 1
1 452 . 7 1 1 A 37 37 THR C C 559 176.419 176.682 -0.263 1
1 453 . 7 1 1 A 37 37 THR CA C 559 66.590 67.298 -0.708 1
1 454 . 7 1 1 A 37 37 THR CB C 559 68.001 68.751 -0.750 1
1 456 . 7 1 1 A 37 37 THR N N 559 115.835 113.822 2.013 1
1 457 . 7 1 1 A 38 38 ILE H H 560 8.109 7.947 0.162 1
1 458 . 7 1 1 A 38 38 ILE HA H 560 3.698 3.854 -0.156 1
1 468 . 7 1 1 A 38 38 ILE C C 560 176.934 178.938 -2.004 1
1 469 . 7 1 1 A 38 38 ILE CA C 560 65.952 65.619 0.333 1
1 470 . 7 1 1 A 38 38 ILE CB C 560 38.252 37.523 0.729 1
1 474 . 7 1 1 A 38 38 ILE N N 560 121.886 121.742 0.144 1
1 475 . 7 1 1 A 39 39 GLN H H 561 8.425 8.666 -0.241 1
1 476 . 7 1 1 A 39 39 GLN HA H 561 3.809 4.474 -0.665 1
1 483 . 7 1 1 A 39 39 GLN C C 561 177.126 178.674 -1.548 1
1 484 . 7 1 1 A 39 39 GLN CA C 561 58.751 57.954 0.797 1
1 485 . 7 1 1 A 39 39 GLN CB C 561 29.255 28.602 0.653 1
1 487 . 7 1 1 A 39 39 GLN N N 561 116.211 118.031 -1.820 1
1 489 . 7 1 1 A 40 40 ARG H H 562 7.334 8.108 -0.774 1
1 490 . 7 1 1 A 40 40 ARG HA H 562 4.092 4.133 -0.041 1
1 497 . 7 1 1 A 40 40 ARG C C 562 177.186 178.935 -1.749 1
1 498 . 7 1 1 A 40 40 ARG CA C 562 57.837 59.208 -1.371 1
1 499 . 7 1 1 A 40 40 ARG CB C 562 30.668 30.060 0.608 1
1 502 . 7 1 1 A 40 40 ARG N N 562 116.464 120.259 -3.795 1
1 503 . 7 1 1 A 41 41 LYS H H 563 7.802 7.344 0.458 1
1 504 . 7 1 1 A 41 41 LYS HA H 563 3.926 4.027 -0.101 1
1 513 . 7 1 1 A 41 41 LYS C C 563 176.735 176.341 0.394 1
1 514 . 7 1 1 A 41 41 LYS CA C 563 57.866 58.493 -0.627 1
1 515 . 7 1 1 A 41 41 LYS CB C 563 33.314 32.855 0.459 1
1 519 . 7 1 1 A 41 41 LYS N N 563 118.658 119.477 -0.819 1
1 520 . 7 1 1 A 42 42 TYR H H 564 8.208 8.660 -0.452 1
1 521 . 7 1 1 A 42 42 TYR HA H 564 4.786 5.358 -0.572 1
1 528 . 7 1 1 A 42 42 TYR C C 564 174.346 175.683 -1.337 1
1 529 . 7 1 1 A 42 42 TYR CA C 564 55.497 56.177 -0.680 1
1 530 . 7 1 1 A 42 42 TYR CB C 564 36.075 38.490 -2.415 1
1 533 . 7 1 1 A 42 42 TYR N N 564 121.157 117.588 3.569 1
1 534 . 7 1 1 A 43 43 LYS H H 565 7.212 8.565 -1.353 1
1 535 . 7 1 1 A 43 43 LYS HA H 565 4.081 4.399 -0.318 1
1 544 . 7 1 1 A 43 43 LYS C C 565 179.082 178.614 0.468 1
1 545 . 7 1 1 A 43 43 LYS CA C 565 58.075 58.261 -0.186 1
1 546 . 7 1 1 A 43 43 LYS CB C 565 32.157 32.912 -0.755 1
1 550 . 7 1 1 A 43 43 LYS N N 565 119.412 125.133 -5.721 1
1 551 . 7 1 1 A 44 44 GLY H H 566 9.179 8.341 0.838 1
1 552 . 7 1 1 A 44 44 GLY HA2 H 566 3.607 3.536 0.071 1
1 553 . 7 1 1 A 44 44 GLY HA3 H 566 4.252 3.616 0.636 1
1 554 . 7 1 1 A 44 44 GLY C C 566 173.990 174.500 -0.510 1
1 555 . 7 1 1 A 44 44 GLY CA C 566 44.860 47.241 -2.381 1
1 556 . 7 1 1 A 44 44 GLY N N 566 114.958 107.096 7.862 1
1 557 . 7 1 1 A 45 45 ILE H H 567 7.604 6.617 0.987 1
1 558 . 7 1 1 A 45 45 ILE HA H 567 2.533 3.766 -1.233 1
1 568 . 7 1 1 A 45 45 ILE C C 567 172.893 174.851 -1.958 1
1 569 . 7 1 1 A 45 45 ILE CA C 567 61.754 61.554 0.200 1
1 570 . 7 1 1 A 45 45 ILE CB C 567 38.302 38.504 -0.202 1
1 574 . 7 1 1 A 45 45 ILE N N 567 122.496 121.075 1.421 1
1 575 . 7 1 1 A 46 46 LYS H H 568 7.733 8.975 -1.242 1
1 576 . 7 1 1 A 46 46 LYS HA H 568 4.307 4.907 -0.600 1
1 585 . 7 1 1 A 46 46 LYS C C 568 174.772 175.340 -0.568 1
1 586 . 7 1 1 A 46 46 LYS CA C 568 54.069 54.909 -0.840 1
1 587 . 7 1 1 A 46 46 LYS CB C 568 31.741 32.752 -1.011 1
1 591 . 7 1 1 A 46 46 LYS N N 568 128.712 125.542 3.170 1
1 592 . 7 1 1 A 47 47 ILE H H 569 8.081 8.202 -0.121 1
1 593 . 7 1 1 A 47 47 ILE HA H 569 3.166 3.621 -0.455 1
1 603 . 7 1 1 A 47 47 ILE CA C 569 61.564 62.105 -0.541 1
1 604 . 7 1 1 A 47 47 ILE CB C 569 36.718 37.527 -0.809 1
1 608 . 7 1 1 A 47 47 ILE N N 569 124.424 126.071 -1.647 1
1 609 . 7 1 1 A 48 48 GLN H H 570 6.700 8.816 -2.116 1
1 610 . 7 1 1 A 48 48 GLN HA H 570 4.205 4.951 -0.746 1
1 617 . 7 1 1 A 48 48 GLN CA C 570 53.129 53.829 -0.700 1
1 618 . 7 1 1 A 48 48 GLN CB C 570 31.211 32.401 -1.190 1
1 620 . 7 1 1 A 48 48 GLN N N 570 122.748 124.198 -1.450 1
1 622 . 7 1 1 A 49 49 GLU H H 571 8.218 8.724 -0.506 1
1 623 . 7 1 1 A 49 49 GLU HA H 571 3.727 4.651 -0.924 1
1 628 . 7 1 1 A 49 49 GLU CA C 571 57.976 56.847 1.129 1
1 629 . 7 1 1 A 49 49 GLU CB C 571 30.954 28.884 2.070 1
1 631 . 7 1 1 A 49 49 GLU N N 571 116.531 123.013 -6.482 1
1 632 . 7 1 1 A 50 50 GLY H H 572 8.967 8.078 0.889 1
1 633 . 7 1 1 A 50 50 GLY HA2 H 572 2.810 4.057 -1.247 1
1 634 . 7 1 1 A 50 50 GLY HA3 H 572 4.198 4.179 0.019 1
1 635 . 7 1 1 A 50 50 GLY CA C 572 43.607 44.302 -0.695 1
1 636 . 7 1 1 A 50 50 GLY N N 572 111.469 111.310 0.159 1
1 637 . 7 1 1 A 51 51 ILE H H 573 8.410 8.765 -0.355 1
1 638 . 7 1 1 A 51 51 ILE HA H 573 4.916 4.524 0.392 1
1 648 . 7 1 1 A 51 51 ILE CA C 573 61.137 62.479 -1.342 1
1 649 . 7 1 1 A 51 51 ILE CB C 573 38.165 38.648 -0.483 1
1 653 . 7 1 1 A 51 51 ILE N N 573 120.591 122.322 -1.731 1
1 654 . 7 1 1 A 52 52 VAL H H 574 8.900 8.610 0.290 1
1 655 . 7 1 1 A 52 52 VAL HA H 574 4.073 5.075 -1.002 1
1 663 . 7 1 1 A 52 52 VAL CA C 574 62.516 60.063 2.453 1
1 664 . 7 1 1 A 52 52 VAL CB C 574 35.957 35.515 0.442 1
1 667 . 7 1 1 A 52 52 VAL N N 574 131.435 124.710 6.725 1
1 668 . 7 1 1 A 53 53 ASP H H 575 8.731 9.014 -0.283 1
1 669 . 7 1 1 A 53 53 ASP HA H 575 4.953 5.251 -0.298 1
1 672 . 7 1 1 A 53 53 ASP CA C 575 52.137 52.573 -0.436 1
1 673 . 7 1 1 A 53 53 ASP CB C 575 40.659 42.160 -1.501 1
1 674 . 7 1 1 A 53 53 ASP N N 575 126.463 129.381 -2.918 1
1 675 . 7 1 1 A 54 54 TYR H H 576 8.639 8.929 -0.290 1
1 676 . 7 1 1 A 54 54 TYR HA H 576 4.407 4.880 -0.473 1
1 683 . 7 1 1 A 54 54 TYR CA C 576 57.833 57.885 -0.052 1
1 684 . 7 1 1 A 54 54 TYR CB C 576 38.634 40.760 -2.126 1
1 687 . 7 1 1 A 54 54 TYR N N 576 131.097 126.893 4.204 1
1 688 . 7 1 1 A 55 55 GLY H H 577 8.388 8.917 -0.529 1
1 689 . 7 1 1 A 55 55 GLY HA2 H 577 3.056 3.839 -0.783 1
1 690 . 7 1 1 A 55 55 GLY HA3 H 577 4.307 3.944 0.363 1
1 691 . 7 1 1 A 55 55 GLY CA C 577 46.347 45.645 0.702 1
1 692 . 7 1 1 A 55 55 GLY N N 577 115.719 116.711 -0.992 1
1 693 . 7 1 1 A 56 56 VAL H H 578 7.143 7.963 -0.820 1
1 694 . 7 1 1 A 56 56 VAL HA H 578 3.410 4.334 -0.924 1
1 702 . 7 1 1 A 56 56 VAL CA C 578 60.335 60.064 0.271 1
1 703 . 7 1 1 A 56 56 VAL CB C 578 35.027 34.012 1.015 1
1 706 . 7 1 1 A 56 56 VAL N N 578 124.853 120.400 4.453 1
1 707 . 7 1 1 A 57 57 ARG H H 579 8.091 8.211 -0.120 1
1 708 . 7 1 1 A 57 57 ARG HA H 579 4.292 4.650 -0.358 1
1 715 . 7 1 1 A 57 57 ARG CA C 579 55.039 55.585 -0.546 1
1 716 . 7 1 1 A 57 57 ARG CB C 579 29.224 30.940 -1.716 1
1 719 . 7 1 1 A 57 57 ARG N N 579 124.754 125.868 -1.114 1
1 720 . 7 1 1 A 58 58 PHE H H 580 8.499 9.345 -0.846 1
1 721 . 7 1 1 A 58 58 PHE HA H 580 4.647 5.196 -0.549 1
1 729 . 7 1 1 A 58 58 PHE CA C 580 57.563 56.570 0.993 1
1 730 . 7 1 1 A 58 58 PHE CB C 580 42.026 42.127 -0.101 1
1 734 . 7 1 1 A 58 58 PHE N N 580 124.105 123.282 0.823 1
1 735 . 7 1 1 A 59 59 PHE H H 581 7.683 8.406 -0.723 1
1 736 . 7 1 1 A 59 59 PHE HA H 581 4.689 4.999 -0.310 1
1 743 . 7 1 1 A 59 59 PHE CA C 581 56.662 57.552 -0.890 1
1 744 . 7 1 1 A 59 59 PHE CB C 581 41.024 40.955 0.069 1
1 747 . 7 1 1 A 59 59 PHE N N 581 119.707 122.401 -2.694 1
1 748 . 7 1 1 A 60 60 PHE H H 582 8.898 8.519 0.379 1
1 749 . 7 1 1 A 60 60 PHE HA H 582 5.563 5.081 0.482 1
1 757 . 7 1 1 A 60 60 PHE CA C 582 57.615 57.560 0.055 1
1 758 . 7 1 1 A 60 60 PHE CB C 582 39.539 40.471 -0.932 1
1 762 . 7 1 1 A 60 60 PHE N N 582 127.157 126.063 1.094 1
1 763 . 7 1 1 A 61 61 TYR H H 583 8.441 8.373 0.068 1
1 764 . 7 1 1 A 61 61 TYR HA H 583 5.301 5.137 0.164 1
1 771 . 7 1 1 A 61 61 TYR CA C 583 54.556 55.770 -1.214 1
1 772 . 7 1 1 A 61 61 TYR CB C 583 41.444 40.608 0.836 1
1 775 . 7 1 1 A 61 61 TYR N N 583 119.072 117.765 1.307 1
1 776 . 7 1 1 A 62 62 THR H H 584 9.444 8.546 0.898 1
1 777 . 7 1 1 A 62 62 THR HA H 584 4.680 4.771 -0.091 1
1 782 . 7 1 1 A 62 62 THR CA C 584 59.784 59.865 -0.081 1
1 783 . 7 1 1 A 62 62 THR CB C 584 71.274 71.214 0.060 1
1 785 . 7 1 1 A 62 62 THR N N 584 113.469 113.740 -0.271 1
1 786 . 7 1 1 A 63 63 SER H H 585 9.092 8.945 0.147 1
1 787 . 7 1 1 A 63 63 SER HA H 585 4.685 3.821 0.864 1
1 790 . 7 1 1 A 63 63 SER CA C 585 59.665 60.960 -1.295 1
1 791 . 7 1 1 A 63 63 SER CB C 585 62.835 62.952 -0.117 1
1 792 . 7 1 1 A 63 63 SER N N 585 114.155 116.879 -2.724 1
1 793 . 7 1 1 A 64 64 LYS H H 586 7.484 7.763 -0.279 1
1 794 . 7 1 1 A 64 64 LYS HA H 586 4.074 4.299 -0.225 1
1 803 . 7 1 1 A 64 64 LYS CA C 586 55.960 58.910 -2.950 1
1 804 . 7 1 1 A 64 64 LYS CB C 586 32.662 32.937 -0.275 1
1 808 . 7 1 1 A 64 64 LYS N N 586 118.230 119.258 -1.028 1
1 809 . 7 1 1 A 65 65 GLU H H 587 7.194 7.332 -0.138 1
1 810 . 7 1 1 A 65 65 GLU HA H 587 4.584 4.605 -0.021 1
1 815 . 7 1 1 A 65 65 GLU CA C 587 53.443 55.427 -1.984 1
1 816 . 7 1 1 A 65 65 GLU CB C 587 30.381 29.250 1.131 1
1 818 . 7 1 1 A 65 65 GLU N N 587 124.837 119.472 5.365 1
1 819 . 7 1 1 A 66 66 PRO HA H 588 4.506 4.543 -0.037 1
1 826 . 7 1 1 A 66 66 PRO CA C 588 62.620 63.335 -0.715 1
1 827 . 7 1 1 A 66 66 PRO CB C 588 32.368 32.361 0.007 1
1 830 . 7 1 1 A 67 67 VAL H H 589 8.545 8.309 0.236 1
1 831 . 7 1 1 A 67 67 VAL HA H 589 3.136 3.091 0.045 1
1 839 . 7 1 1 A 67 67 VAL CA C 589 66.588 66.746 -0.158 1
1 840 . 7 1 1 A 67 67 VAL CB C 589 30.979 31.338 -0.359 1
1 843 . 7 1 1 A 67 67 VAL N N 589 123.156 123.219 -0.063 1
1 844 . 7 1 1 A 68 68 ALA H H 590 8.700 8.413 0.287 1
1 845 . 7 1 1 A 68 68 ALA HA H 590 3.953 3.938 0.015 1
1 849 . 7 1 1 A 68 68 ALA CA C 590 54.867 55.626 -0.759 1
1 850 . 7 1 1 A 68 68 ALA CB C 590 18.134 18.730 -0.596 1
1 851 . 7 1 1 A 68 68 ALA N N 590 118.895 122.347 -3.452 1
1 852 . 7 1 1 A 69 69 SER H H 591 6.961 7.918 -0.957 1
1 853 . 7 1 1 A 69 69 SER HA H 591 4.195 4.219 -0.024 1
1 856 . 7 1 1 A 69 69 SER CA C 591 60.029 61.572 -1.543 1
1 857 . 7 1 1 A 69 69 SER CB C 591 62.045 63.058 -1.013 1
1 858 . 7 1 1 A 69 69 SER N N 591 111.445 112.983 -1.538 1
1 859 . 7 1 1 A 70 70 ILE H H 592 7.386 7.981 -0.595 1
1 860 . 7 1 1 A 70 70 ILE HA H 592 3.361 3.708 -0.347 1
1 870 . 7 1 1 A 70 70 ILE CA C 592 65.332 64.683 0.649 1
1 871 . 7 1 1 A 70 70 ILE CB C 592 38.427 37.429 0.998 1
1 875 . 7 1 1 A 70 70 ILE N N 592 122.407 120.633 1.774 1
1 876 . 7 1 1 A 71 71 ILE H H 593 8.332 8.287 0.045 1
1 877 . 7 1 1 A 71 71 ILE HA H 593 3.256 3.473 -0.217 1
1 887 . 7 1 1 A 71 71 ILE CA C 593 65.023 64.926 0.097 1
1 888 . 7 1 1 A 71 71 ILE CB C 593 36.662 37.526 -0.864 1
1 892 . 7 1 1 A 71 71 ILE N N 593 117.779 121.992 -4.213 1
1 893 . 7 1 1 A 72 72 THR H H 594 7.834 8.117 -0.283 1
1 894 . 7 1 1 A 72 72 THR HA H 594 3.845 3.996 -0.151 1
1 899 . 7 1 1 A 72 72 THR CA C 594 67.376 66.107 1.269 1
1 900 . 7 1 1 A 72 72 THR CB C 594 68.291 68.600 -0.309 1
1 902 . 7 1 1 A 72 72 THR N N 594 117.154 116.114 1.040 1
1 903 . 7 1 1 A 73 73 LYS H H 595 7.803 7.754 0.049 1
1 904 . 7 1 1 A 73 73 LYS HA H 595 3.936 4.020 -0.084 1
1 913 . 7 1 1 A 73 73 LYS CA C 595 59.853 59.372 0.481 1
1 914 . 7 1 1 A 73 73 LYS CB C 595 32.531 32.453 0.078 1
1 918 . 7 1 1 A 73 73 LYS N N 595 122.657 120.620 2.037 1
1 919 . 7 1 1 A 74 74 LEU H H 596 8.088 7.780 0.308 1
1 920 . 7 1 1 A 74 74 LEU HA H 596 3.681 3.840 -0.159 1
1 930 . 7 1 1 A 74 74 LEU CA C 596 57.217 57.343 -0.126 1
1 931 . 7 1 1 A 74 74 LEU CB C 596 41.122 41.435 -0.313 1
1 935 . 7 1 1 A 74 74 LEU N N 596 119.593 119.716 -0.123 1
1 936 . 7 1 1 A 75 75 ASN H H 597 8.949 8.029 0.920 1
1 937 . 7 1 1 A 75 75 ASN HA H 597 4.471 4.494 -0.023 1
1 942 . 7 1 1 A 75 75 ASN CA C 597 54.735 55.525 -0.790 1
1 943 . 7 1 1 A 75 75 ASN CB C 597 37.074 38.132 -1.058 1
1 944 . 7 1 1 A 75 75 ASN N N 597 121.103 117.872 3.231 1
1 946 . 7 1 1 A 76 76 SER H H 598 7.927 8.379 -0.452 1
1 947 . 7 1 1 A 76 76 SER HA H 598 4.137 4.233 -0.096 1
1 950 . 7 1 1 A 76 76 SER CA C 598 60.952 61.369 -0.417 1
1 951 . 7 1 1 A 76 76 SER CB C 598 62.516 62.670 -0.154 1
1 952 . 7 1 1 A 76 76 SER N N 598 116.716 115.907 0.809 1
1 953 . 7 1 1 A 77 77 LEU H H 599 7.543 7.142 0.401 1
1 954 . 7 1 1 A 77 77 LEU HA H 599 3.974 3.941 0.033 1
1 964 . 7 1 1 A 77 77 LEU CA C 599 57.200 57.804 -0.604 1
1 965 . 7 1 1 A 77 77 LEU CB C 599 41.749 41.698 0.051 1
1 969 . 7 1 1 A 77 77 LEU N N 599 121.292 122.046 -0.754 1
1 970 . 7 1 1 A 78 78 ASN H H 600 7.755 7.749 0.006 1
1 971 . 7 1 1 A 78 78 ASN HA H 600 4.114 4.273 -0.159 1
1 976 . 7 1 1 A 78 78 ASN CA C 600 53.603 54.526 -0.923 1
1 977 . 7 1 1 A 78 78 ASN CB C 600 37.688 37.696 -0.008 1
1 978 . 7 1 1 A 78 78 ASN N N 600 113.272 117.558 -4.286 1
1 980 . 7 1 1 A 79 79 GLU H H 601 8.389 7.987 0.402 1
1 981 . 7 1 1 A 79 79 GLU HA H 601 4.675 4.672 0.003 1
1 986 . 7 1 1 A 79 79 GLU CA C 601 53.418 54.147 -0.729 1
1 987 . 7 1 1 A 79 79 GLU CB C 601 30.704 29.282 1.422 1
1 989 . 7 1 1 A 79 79 GLU N N 601 118.840 118.874 -0.034 1
1 990 . 7 1 1 A 80 80 PRO HA H 602 4.771 4.974 -0.203 1
1 997 . 7 1 1 A 80 80 PRO CA C 602 62.189 62.462 -0.273 1
1 998 . 7 1 1 A 80 80 PRO CB C 602 32.196 32.601 -0.405 1
1 1001 . 7 1 1 A 81 81 LEU H H 603 8.539 8.606 -0.067 1
1 1002 . 7 1 1 A 81 81 LEU HA H 603 5.766 5.264 0.502 1
1 1012 . 7 1 1 A 81 81 LEU CA C 603 53.432 53.044 0.388 1
1 1013 . 7 1 1 A 81 81 LEU CB C 603 48.114 46.115 1.999 1
1 1017 . 7 1 1 A 81 81 LEU N N 603 118.455 121.438 -2.983 1
1 1018 . 7 1 1 A 82 82 VAL H H 604 8.322 8.307 0.015 1
1 1019 . 7 1 1 A 82 82 VAL HA H 604 5.110 4.996 0.114 1
1 1027 . 7 1 1 A 82 82 VAL CA C 604 59.609 60.452 -0.843 1
1 1028 . 7 1 1 A 82 82 VAL CB C 604 34.100 34.895 -0.795 1
1 1031 . 7 1 1 A 82 82 VAL N N 604 121.259 120.122 1.137 1
1 1032 . 7 1 1 A 83 83 THR H H 605 8.570 8.840 -0.270 1
1 1033 . 7 1 1 A 83 83 THR HA H 605 5.107 4.768 0.339 1
1 1038 . 7 1 1 A 83 83 THR CA C 605 59.606 60.091 -0.485 1
1 1039 . 7 1 1 A 83 83 THR CB C 605 71.321 70.254 1.067 1
1 1041 . 7 1 1 A 83 83 THR N N 605 117.620 120.975 -3.355 1
1 1042 . 7 1 1 A 84 84 MET H H 606 8.288 8.616 -0.328 1
1 1043 . 7 1 1 A 84 84 MET HA H 606 5.310 4.646 0.664 1
1 1051 . 7 1 1 A 84 84 MET CA C 606 55.491 55.008 0.483 1
1 1052 . 7 1 1 A 84 84 MET CB C 606 31.549 32.830 -1.281 1
1 1055 . 7 1 1 A 84 84 MET N N 606 125.405 122.186 3.219 1
1 1056 . 7 1 1 A 85 85 PRO HA H 607 4.048 4.603 -0.555 1
1 1063 . 7 1 1 A 85 85 PRO CA C 607 63.608 62.940 0.668 1
1 1064 . 7 1 1 A 85 85 PRO CB C 607 31.291 32.257 -0.966 1
1 1067 . 7 1 1 A 86 86 ILE H H 608 8.326 8.610 -0.284 1
1 1068 . 7 1 1 A 86 86 ILE HA H 608 3.423 4.168 -0.745 1
1 1078 . 7 1 1 A 86 86 ILE CA C 608 63.457 63.332 0.125 1
1 1079 . 7 1 1 A 86 86 ILE CB C 608 35.800 38.416 -2.616 1
1 1083 . 7 1 1 A 86 86 ILE N N 608 133.106 119.395 13.711 1
1 1084 . 7 1 1 A 87 87 GLY H H 609 8.549 7.854 0.695 1
1 1085 . 7 1 1 A 87 87 GLY HA2 H 609 3.448 3.231 0.217 1
1 1086 . 7 1 1 A 87 87 GLY HA3 H 609 4.101 3.398 0.703 1
1 1087 . 7 1 1 A 87 87 GLY CA C 609 44.556 46.365 -1.809 1
1 1088 . 7 1 1 A 87 87 GLY N N 609 111.653 108.720 2.933 1
1 1089 . 7 1 1 A 88 88 TYR H H 610 7.224 8.334 -1.110 1
1 1090 . 7 1 1 A 88 88 TYR HA H 610 4.437 4.923 -0.486 1
1 1097 . 7 1 1 A 88 88 TYR CA C 610 57.670 56.396 1.274 1
1 1098 . 7 1 1 A 88 88 TYR CB C 610 38.604 40.855 -2.251 1
1 1101 . 7 1 1 A 88 88 TYR N N 610 121.537 125.220 -3.683 1
1 1102 . 7 1 1 A 89 89 VAL H H 611 8.953 8.077 0.876 1
1 1103 . 7 1 1 A 89 89 VAL HA H 611 3.065 3.643 -0.578 1
1 1111 . 7 1 1 A 89 89 VAL CA C 611 70.009 65.994 4.015 1
1 1112 . 7 1 1 A 89 89 VAL CB C 611 30.422 31.005 -0.583 1
1 1115 . 7 1 1 A 89 89 VAL N N 611 128.074 119.982 8.092 1
1 1116 . 7 1 1 A 90 90 THR H H 612 9.348 8.105 1.243 1
1 1117 . 7 1 1 A 90 90 THR HA H 612 3.810 4.053 -0.243 1
1 1122 . 7 1 1 A 90 90 THR CA C 612 64.727 64.875 -0.148 1
1 1123 . 7 1 1 A 90 90 THR CB C 612 68.005 68.741 -0.736 1
1 1125 . 7 1 1 A 90 90 THR N N 612 117.972 114.249 3.723 1
1 1126 . 7 1 1 A 91 91 HIS H H 613 7.651 8.168 -0.517 1
1 1127 . 7 1 1 A 91 91 HIS HA H 613 4.685 4.668 0.017 1
1 1131 . 7 1 1 A 91 91 HIS CA C 613 55.419 55.839 -0.420 1
1 1132 . 7 1 1 A 91 91 HIS CB C 613 29.092 30.146 -1.054 1
1 1134 . 7 1 1 A 91 91 HIS N N 613 119.034 117.552 1.482 1
1 1135 . 7 1 1 A 92 92 GLY H H 614 7.655 8.071 -0.416 1
1 1136 . 7 1 1 A 92 92 GLY HA2 H 614 3.665 3.910 -0.245 1
1 1137 . 7 1 1 A 92 92 GLY HA3 H 614 4.095 3.956 0.139 1
1 1138 . 7 1 1 A 92 92 GLY CA C 614 45.035 46.919 -1.884 1
1 1139 . 7 1 1 A 92 92 GLY N N 614 106.031 109.507 -3.476 1
1 1140 . 7 1 1 A 93 93 PHE H H 615 6.716 7.899 -1.183 1
1 1141 . 7 1 1 A 93 93 PHE HA H 615 5.244 4.791 0.453 1
1 1149 . 7 1 1 A 93 93 PHE CA C 615 53.904 57.455 -3.551 1
1 1150 . 7 1 1 A 93 93 PHE CB C 615 38.587 42.419 -3.832 1
1 1154 . 7 1 1 A 93 93 PHE N N 615 116.220 117.668 -1.448 1
1 1155 . 7 1 1 A 94 94 ASN H H 616 9.141 8.820 0.321 1
1 1156 . 7 1 1 A 94 94 ASN HA H 616 4.956 5.180 -0.224 1
1 1161 . 7 1 1 A 94 94 ASN CA C 616 51.278 51.837 -0.559 1
1 1162 . 7 1 1 A 94 94 ASN CB C 616 37.692 40.664 -2.972 1
1 1163 . 7 1 1 A 94 94 ASN N N 616 122.153 119.512 2.641 1
1 1165 . 7 1 1 A 95 95 LEU H H 617 8.684 8.869 -0.185 1
1 1166 . 7 1 1 A 95 95 LEU HA H 617 3.831 4.141 -0.310 1
1 1176 . 7 1 1 A 95 95 LEU CA C 617 58.457 58.778 -0.321 1
1 1177 . 7 1 1 A 95 95 LEU CB C 617 41.985 41.481 0.504 1
1 1181 . 7 1 1 A 95 95 LEU N N 617 119.153 126.504 -7.351 1
1 1182 . 7 1 1 A 96 96 GLU H H 618 7.747 7.608 0.139 1
1 1183 . 7 1 1 A 96 96 GLU HA H 618 2.864 2.879 -0.015 1
1 1188 . 7 1 1 A 96 96 GLU CA C 618 59.402 59.404 -0.002 1
1 1189 . 7 1 1 A 96 96 GLU CB C 618 28.323 29.167 -0.844 1
1 1191 . 7 1 1 A 96 96 GLU N N 618 120.199 118.691 1.508 1
1 1192 . 7 1 1 A 97 97 GLU H H 619 8.503 8.263 0.240 1
1 1193 . 7 1 1 A 97 97 GLU HA H 619 3.497 3.944 -0.447 1
1 1198 . 7 1 1 A 97 97 GLU CA C 619 58.251 59.067 -0.816 1
1 1199 . 7 1 1 A 97 97 GLU CB C 619 29.073 29.585 -0.512 1
1 1201 . 7 1 1 A 97 97 GLU N N 619 118.988 117.562 1.426 1
1 1202 . 7 1 1 A 98 98 ALA H H 620 8.311 8.473 -0.162 1
1 1203 . 7 1 1 A 98 98 ALA HA H 620 4.211 4.435 -0.224 1
1 1207 . 7 1 1 A 98 98 ALA CA C 620 54.717 55.435 -0.718 1
1 1208 . 7 1 1 A 98 98 ALA CB C 620 18.635 18.210 0.425 1
1 1209 . 7 1 1 A 98 98 ALA N N 620 121.102 123.715 -2.613 1
1 1210 . 7 1 1 A 99 99 ALA H H 621 8.570 8.127 0.443 1
1 1211 . 7 1 1 A 99 99 ALA HA H 621 3.831 3.536 0.295 1
1 1215 . 7 1 1 A 99 99 ALA CA C 621 55.004 55.002 0.002 1
1 1216 . 7 1 1 A 99 99 ALA CB C 621 18.548 17.623 0.925 1
1 1217 . 7 1 1 A 99 99 ALA N N 621 121.431 119.033 2.398 1
1 1218 . 7 1 1 A 100 100 ARG H H 622 7.646 8.343 -0.697 1
1 1219 . 7 1 1 A 100 100 ARG HA H 622 3.636 4.050 -0.414 1
1 1226 . 7 1 1 A 100 100 ARG CA C 622 59.556 59.671 -0.115 1
1 1227 . 7 1 1 A 100 100 ARG CB C 622 29.420 30.163 -0.743 1
1 1230 . 7 1 1 A 100 100 ARG N N 622 114.812 117.602 -2.790 1
1 1231 . 7 1 1 A 101 101 CYS H H 623 7.503 8.413 -0.910 1
1 1232 . 7 1 1 A 101 101 CYS HA H 623 4.081 4.286 -0.205 1
1 1235 . 7 1 1 A 101 101 CYS CA C 623 62.364 61.897 0.467 1
1 1236 . 7 1 1 A 101 101 CYS CB C 623 26.301 27.142 -0.841 1
1 1237 . 7 1 1 A 101 101 CYS N N 623 118.667 119.372 -0.705 1
1 1238 . 7 1 1 A 102 102 MET H H 624 8.332 7.926 0.406 1
1 1239 . 7 1 1 A 102 102 MET HA H 624 4.165 4.263 -0.098 1
1 1247 . 7 1 1 A 102 102 MET CA C 624 55.808 57.572 -1.764 1
1 1248 . 7 1 1 A 102 102 MET CB C 624 30.500 31.317 -0.817 1
1 1251 . 7 1 1 A 102 102 MET N N 624 119.480 118.998 0.482 1
1 1252 . 7 1 1 A 103 103 ARG H H 625 7.505 7.778 -0.273 1
1 1253 . 7 1 1 A 103 103 ARG HA H 625 4.022 4.256 -0.234 1
1 1260 . 7 1 1 A 103 103 ARG CA C 625 58.658 59.127 -0.469 1
1 1261 . 7 1 1 A 103 103 ARG CB C 625 30.413 29.846 0.567 1
1 1264 . 7 1 1 A 103 103 ARG N N 625 120.614 118.834 1.780 1
1 1265 . 7 1 1 A 104 104 SER H H 626 7.635 7.860 -0.225 1
1 1266 . 7 1 1 A 104 104 SER HA H 626 4.278 4.427 -0.149 1
1 1269 . 7 1 1 A 104 104 SER CA C 626 58.925 60.132 -1.207 1
1 1270 . 7 1 1 A 104 104 SER CB C 626 63.785 63.640 0.145 1
1 1271 . 7 1 1 A 104 104 SER N N 626 111.144 112.721 -1.577 1
1 1272 . 7 1 1 A 105 105 LEU H H 627 7.602 7.234 0.368 1
1 1273 . 7 1 1 A 105 105 LEU HA H 627 4.387 4.691 -0.304 1
1 1283 . 7 1 1 A 105 105 LEU CA C 627 55.025 55.117 -0.092 1
1 1284 . 7 1 1 A 105 105 LEU CB C 627 42.360 43.100 -0.740 1
1 1288 . 7 1 1 A 105 105 LEU N N 627 125.064 122.566 2.498 1
1 1289 . 7 1 1 A 106 106 LYS H H 628 9.724 9.216 0.508 1
1 1290 . 7 1 1 A 106 106 LYS HA H 628 4.244 4.636 -0.392 1
1 1299 . 7 1 1 A 106 106 LYS CA C 628 54.781 55.573 -0.792 1
1 1300 . 7 1 1 A 106 106 LYS CB C 628 33.456 32.715 0.741 1
1 1304 . 7 1 1 A 106 106 LYS N N 628 128.616 124.285 4.331 1
1 1305 . 7 1 1 A 107 107 ALA H H 629 6.593 7.511 -0.918 1
1 1306 . 7 1 1 A 107 107 ALA HA H 629 4.420 4.814 -0.394 1
1 1310 . 7 1 1 A 107 107 ALA CA C 629 50.003 49.993 0.010 1
1 1311 . 7 1 1 A 107 107 ALA CB C 629 17.219 22.212 -4.993 1
1 1312 . 7 1 1 A 107 107 ALA N N 629 124.084 121.372 2.712 1
1 1313 . 7 1 1 A 108 108 PRO HA H 630 4.302 4.759 -0.457 1
1 1320 . 7 1 1 A 108 108 PRO CA C 630 62.816 62.329 0.487 1
1 1321 . 7 1 1 A 108 108 PRO CB C 630 31.743 31.322 0.421 1
1 1324 . 7 1 1 A 109 109 ALA H H 631 7.898 8.514 -0.616 1
1 1325 . 7 1 1 A 109 109 ALA HA H 631 5.092 4.836 0.256 1
1 1329 . 7 1 1 A 109 109 ALA CA C 631 50.966 50.541 0.425 1
1 1330 . 7 1 1 A 109 109 ALA CB C 631 22.217 20.985 1.232 1
1 1331 . 7 1 1 A 109 109 ALA N N 631 122.466 126.736 -4.270 1
1 1332 . 7 1 1 A 110 110 VAL H H 632 8.071 8.535 -0.464 1
1 1333 . 7 1 1 A 110 110 VAL HA H 632 4.167 4.073 0.094 1
1 1341 . 7 1 1 A 110 110 VAL CA C 632 61.685 62.907 -1.222 1
1 1342 . 7 1 1 A 110 110 VAL CB C 632 32.856 31.361 1.495 1
1 1345 . 7 1 1 A 110 110 VAL N N 632 125.531 122.981 2.550 1
1 1346 . 7 1 1 A 111 111 VAL H H 633 8.182 8.735 -0.553 1
1 1347 . 7 1 1 A 111 111 VAL HA H 633 4.731 4.560 0.171 1
1 1355 . 7 1 1 A 111 111 VAL CA C 633 59.473 60.554 -1.081 1
1 1356 . 7 1 1 A 111 111 VAL CB C 633 32.919 32.676 0.243 1
1 1359 . 7 1 1 A 111 111 VAL N N 633 128.148 129.270 -1.122 1
1 1360 . 7 1 1 A 112 112 SER H H 634 8.591 8.886 -0.295 1
1 1361 . 7 1 1 A 112 112 SER HA H 634 4.920 4.960 -0.040 1
1 1364 . 7 1 1 A 112 112 SER CA C 634 53.905 56.424 -2.519 1
1 1365 . 7 1 1 A 112 112 SER CB C 634 64.651 64.480 0.171 1
1 1366 . 7 1 1 A 112 112 SER N N 634 119.276 123.152 -3.876 1
1 1367 . 7 1 1 A 113 113 VAL H H 635 8.503 8.434 0.069 1
1 1368 . 7 1 1 A 113 113 VAL HA H 635 4.522 4.391 0.131 1
1 1376 . 7 1 1 A 113 113 VAL CA C 635 59.398 60.083 -0.685 1
1 1377 . 7 1 1 A 113 113 VAL CB C 635 32.548 34.379 -1.831 1
1 1380 . 7 1 1 A 113 113 VAL N N 635 118.886 124.046 -5.160 1
1 1381 . 7 1 1 A 114 114 SER H H 636 8.263 8.684 -0.421 1
1 1382 . 7 1 1 A 114 114 SER HA H 636 3.940 4.476 -0.536 1
1 1385 . 7 1 1 A 114 114 SER CA C 636 61.597 60.233 1.364 1
1 1386 . 7 1 1 A 114 114 SER CB C 636 63.321 64.374 -1.053 1
1 1387 . 7 1 1 A 114 114 SER N N 636 112.710 117.494 -4.784 1
1 1388 . 7 1 1 A 115 115 SER H H 637 7.269 8.089 -0.820 1
1 1389 . 7 1 1 A 115 115 SER HA H 637 4.956 4.933 0.023 1
1 1392 . 7 1 1 A 115 115 SER CA C 637 55.674 55.851 -0.177 1
1 1393 . 7 1 1 A 115 115 SER CB C 637 64.074 66.037 -1.963 1
1 1394 . 7 1 1 A 115 115 SER N N 637 114.537 114.940 -0.403 1
1 1395 . 7 1 1 A 116 116 PRO HA H 638 4.186 4.408 -0.222 1
1 1402 . 7 1 1 A 116 116 PRO CA C 638 65.021 64.755 0.266 1
1 1403 . 7 1 1 A 116 116 PRO CB C 638 31.908 32.050 -0.142 1
1 1406 . 7 1 1 A 117 117 ASP H H 639 8.161 8.466 -0.305 1
1 1407 . 7 1 1 A 117 117 ASP HA H 639 4.359 4.474 -0.115 1
1 1410 . 7 1 1 A 117 117 ASP CA C 639 55.928 56.679 -0.751 1
1 1411 . 7 1 1 A 117 117 ASP CB C 639 40.088 40.703 -0.615 1
1 1412 . 7 1 1 A 117 117 ASP N N 639 116.310 117.250 -0.940 1
1 1413 . 7 1 1 A 118 118 ALA H H 640 7.596 7.690 -0.094 1
1 1414 . 7 1 1 A 118 118 ALA HA H 640 4.225 4.206 0.019 1
1 1418 . 7 1 1 A 118 118 ALA CA C 640 52.964 54.654 -1.690 1
1 1419 . 7 1 1 A 118 118 ALA CB C 640 18.334 18.449 -0.115 1
1 1420 . 7 1 1 A 118 118 ALA N N 640 121.066 121.298 -0.232 1
1 1421 . 7 1 1 A 119 119 VAL H H 641 7.280 8.095 -0.815 1
1 1422 . 7 1 1 A 119 119 VAL HA H 641 3.221 3.551 -0.330 1
1 1430 . 7 1 1 A 119 119 VAL CA C 641 66.608 67.130 -0.522 1
1 1431 . 7 1 1 A 119 119 VAL CB C 641 31.436 31.559 -0.123 1
1 1434 . 7 1 1 A 119 119 VAL N N 641 120.886 119.405 1.481 1
1 1435 . 7 1 1 A 120 120 THR H H 642 7.475 7.593 -0.118 1
1 1436 . 7 1 1 A 120 120 THR HA H 642 3.840 3.910 -0.070 1
1 1441 . 7 1 1 A 120 120 THR CA C 642 65.297 65.915 -0.618 1
1 1442 . 7 1 1 A 120 120 THR CB C 642 68.042 68.802 -0.760 1
1 1444 . 7 1 1 A 120 120 THR N N 642 112.821 116.247 -3.426 1
1 1445 . 7 1 1 A 121 121 THR H H 643 7.328 8.064 -0.736 1
1 1446 . 7 1 1 A 121 121 THR HA H 643 3.477 3.668 -0.191 1
1 1451 . 7 1 1 A 121 121 THR CA C 643 65.341 66.306 -0.965 1
1 1452 . 7 1 1 A 121 121 THR CB C 643 68.196 68.527 -0.331 1
1 1454 . 7 1 1 A 121 121 THR N N 643 119.194 116.887 2.307 1
1 1455 . 7 1 1 A 122 122 TYR H H 644 8.766 8.570 0.196 1
1 1456 . 7 1 1 A 122 122 TYR HA H 644 3.764 4.342 -0.578 1
1 1463 . 7 1 1 A 122 122 TYR CA C 644 62.340 62.182 0.158 1
1 1464 . 7 1 1 A 122 122 TYR CB C 644 39.106 38.704 0.402 1
1 1467 . 7 1 1 A 122 122 TYR N N 644 122.838 122.689 0.149 1
1 1468 . 7 1 1 A 123 123 ASN H H 645 8.290 8.634 -0.344 1
1 1469 . 7 1 1 A 123 123 ASN HA H 645 4.299 4.534 -0.235 1
1 1474 . 7 1 1 A 123 123 ASN CA C 645 55.018 56.183 -1.165 1
1 1475 . 7 1 1 A 123 123 ASN CB C 645 36.967 37.944 -0.977 1
1 1476 . 7 1 1 A 123 123 ASN N N 645 116.356 117.970 -1.614 1
1 1478 . 7 1 1 A 124 124 GLY H H 646 7.768 8.105 -0.337 1
1 1479 . 7 1 1 A 124 124 GLY HA2 H 646 3.639 3.543 0.096 1
1 1480 . 7 1 1 A 124 124 GLY HA3 H 646 3.707 3.661 0.046 1
1 1481 . 7 1 1 A 124 124 GLY CA C 646 46.521 47.062 -0.541 1
1 1482 . 7 1 1 A 124 124 GLY N N 646 108.260 108.959 -0.699 1
1 1483 . 7 1 1 A 125 125 TYR H H 647 7.386 8.000 -0.614 1
1 1484 . 7 1 1 A 125 125 TYR HA H 647 4.608 4.562 0.046 1
1 1491 . 7 1 1 A 125 125 TYR CA C 647 57.204 59.863 -2.659 1
1 1492 . 7 1 1 A 125 125 TYR CB C 647 37.557 37.537 0.020 1
1 1495 . 7 1 1 A 125 125 TYR N N 647 120.587 121.476 -0.889 1
1 1496 . 7 1 1 A 126 126 LEU H H 648 7.802 7.488 0.314 1
1 1497 . 7 1 1 A 126 126 LEU HA H 648 3.801 4.026 -0.225 1
1 1507 . 7 1 1 A 126 126 LEU CA C 648 56.663 57.852 -1.189 1
1 1508 . 7 1 1 A 126 126 LEU CB C 648 42.298 42.331 -0.033 1
1 1512 . 7 1 1 A 126 126 LEU N N 648 119.234 119.324 -0.090 1
1 1513 . 7 1 1 A 127 127 THR H H 649 7.473 7.642 -0.169 1
1 1514 . 7 1 1 A 127 127 THR HA H 649 4.238 4.598 -0.360 1
1 1519 . 7 1 1 A 127 127 THR CA C 649 61.868 61.287 0.581 1
1 1520 . 7 1 1 A 127 127 THR CB C 649 69.451 69.695 -0.244 1
1 1522 . 7 1 1 A 127 127 THR N N 649 108.633 110.005 -1.372 1
1 1523 . 7 1 1 A 128 128 SER H H 650 7.696 8.072 -0.376 1
1 1524 . 7 1 1 A 128 128 SER HA H 650 4.439 4.930 -0.491 1
1 1527 . 7 1 1 A 128 128 SER CA C 650 58.451 57.757 0.694 1
1 1528 . 7 1 1 A 128 128 SER CB C 650 63.763 64.564 -0.801 1
1 1529 . 7 1 1 A 128 128 SER N N 650 117.667 118.337 -0.670 1
1 1 . 8 1 1 A 2 2 SER HA H -3 4.607 4.445 0.162 1
1 4 . 8 1 1 A 2 2 SER C C -3 174.489 175.081 -0.592 1
1 5 . 8 1 1 A 2 2 SER CA C -3 56.994 59.441 -2.447 1
1 6 . 8 1 1 A 2 2 SER CB C -3 64.641 63.072 1.569 1
1 7 . 8 1 1 A 2 2 SER N N -3 115.970 117.456 -1.486 1
1 8 . 8 1 1 A 3 3 HIS H H -2 8.138 8.966 -0.828 1
1 9 . 8 1 1 A 3 3 HIS HA H -2 4.558 4.404 0.154 1
1 13 . 8 1 1 A 3 3 HIS C C -2 176.502 173.441 3.061 1
1 14 . 8 1 1 A 3 3 HIS CA C -2 56.164 58.080 -1.916 1
1 15 . 8 1 1 A 3 3 HIS CB C -2 30.643 28.949 1.694 1
1 17 . 8 1 1 A 3 3 HIS N N -2 122.640 119.554 3.086 1
1 39 . 8 1 1 A 6 6 THR H H 528 7.755 8.677 -0.922 1
1 40 . 8 1 1 A 6 6 THR HA H 528 5.155 4.729 0.426 1
1 45 . 8 1 1 A 6 6 THR C C 528 174.544 174.173 0.371 1
1 46 . 8 1 1 A 6 6 THR CA C 528 60.657 62.820 -2.163 1
1 47 . 8 1 1 A 6 6 THR CB C 528 68.218 69.729 -1.511 1
1 49 . 8 1 1 A 6 6 THR N N 528 118.293 116.078 2.215 1
1 50 . 8 1 1 A 7 7 VAL H H 529 8.966 8.300 0.666 1
1 51 . 8 1 1 A 7 7 VAL HA H 529 4.240 4.723 -0.483 1
1 59 . 8 1 1 A 7 7 VAL C C 529 174.012 175.096 -1.084 1
1 60 . 8 1 1 A 7 7 VAL CA C 529 58.309 58.710 -0.401 1
1 61 . 8 1 1 A 7 7 VAL CB C 529 35.661 35.775 -0.114 1
1 64 . 8 1 1 A 7 7 VAL N N 529 121.381 117.959 3.422 1
1 65 . 8 1 1 A 8 8 SER H H 530 8.193 8.301 -0.108 1
1 66 . 8 1 1 A 8 8 SER HA H 530 4.825 4.841 -0.016 1
1 69 . 8 1 1 A 8 8 SER C C 530 172.908 174.854 -1.946 1
1 70 . 8 1 1 A 8 8 SER CA C 530 55.790 57.246 -1.456 1
1 71 . 8 1 1 A 8 8 SER CB C 530 62.800 63.614 -0.814 1
1 72 . 8 1 1 A 8 8 SER N N 530 113.044 115.235 -2.191 1
1 73 . 8 1 1 A 9 9 TRP H H 531 7.595 7.520 0.075 1
1 74 . 8 1 1 A 9 9 TRP HA H 531 5.353 4.659 0.694 1
1 83 . 8 1 1 A 9 9 TRP C C 531 177.031 176.153 0.878 1
1 84 . 8 1 1 A 9 9 TRP CA C 531 51.902 57.684 -5.782 1
1 85 . 8 1 1 A 9 9 TRP CB C 531 32.848 30.150 2.698 1
1 91 . 8 1 1 A 9 9 TRP N N 531 124.627 124.237 0.390 1
1 93 . 8 1 1 A 10 10 ASN H H 532 9.312 8.514 0.798 1
1 94 . 8 1 1 A 10 10 ASN HA H 532 4.601 5.119 -0.518 1
1 99 . 8 1 1 A 10 10 ASN C C 532 175.214 176.840 -1.626 1
1 100 . 8 1 1 A 10 10 ASN CA C 532 51.428 51.002 0.426 1
1 101 . 8 1 1 A 10 10 ASN CB C 532 38.140 40.005 -1.865 1
1 102 . 8 1 1 A 10 10 ASN N N 532 121.842 119.329 2.513 1
1 104 . 8 1 1 A 11 11 LEU H H 533 8.503 8.891 -0.388 1
1 105 . 8 1 1 A 11 11 LEU HA H 533 4.086 4.032 0.054 1
1 115 . 8 1 1 A 11 11 LEU C C 533 178.309 179.339 -1.030 1
1 116 . 8 1 1 A 11 11 LEU CA C 533 58.491 58.096 0.395 1
1 117 . 8 1 1 A 11 11 LEU CB C 533 41.525 41.358 0.167 1
1 121 . 8 1 1 A 11 11 LEU N N 533 119.723 119.569 0.154 1
1 122 . 8 1 1 A 12 12 ARG H H 534 8.057 8.150 -0.093 1
1 123 . 8 1 1 A 12 12 ARG HA H 534 3.840 4.049 -0.209 1
1 130 . 8 1 1 A 12 12 ARG C C 534 179.597 179.210 0.387 1
1 131 . 8 1 1 A 12 12 ARG CA C 534 59.873 59.580 0.293 1
1 132 . 8 1 1 A 12 12 ARG CB C 534 29.076 30.049 -0.973 1
1 135 . 8 1 1 A 12 12 ARG N N 534 117.711 119.568 -1.857 1
1 136 . 8 1 1 A 13 13 GLU H H 535 8.342 8.517 -0.175 1
1 137 . 8 1 1 A 13 13 GLU HA H 535 3.724 4.013 -0.289 1
1 142 . 8 1 1 A 13 13 GLU C C 535 179.948 179.347 0.601 1
1 143 . 8 1 1 A 13 13 GLU CA C 535 58.753 59.076 -0.323 1
1 144 . 8 1 1 A 13 13 GLU CB C 535 29.402 29.381 0.021 1
1 146 . 8 1 1 A 13 13 GLU N N 535 121.501 120.075 1.426 1
1 147 . 8 1 1 A 14 14 MET H H 536 8.684 8.530 0.154 1
1 148 . 8 1 1 A 14 14 MET HA H 536 3.945 4.297 -0.352 1
1 156 . 8 1 1 A 14 14 MET C C 536 177.364 178.952 -1.588 1
1 157 . 8 1 1 A 14 14 MET CA C 536 60.550 59.017 1.533 1
1 158 . 8 1 1 A 14 14 MET CB C 536 34.412 32.797 1.615 1
1 161 . 8 1 1 A 14 14 MET N N 536 120.565 120.034 0.531 1
1 162 . 8 1 1 A 15 15 LEU H H 537 8.731 8.425 0.306 1
1 163 . 8 1 1 A 15 15 LEU HA H 537 3.970 3.985 -0.015 1
1 173 . 8 1 1 A 15 15 LEU C C 537 178.544 179.245 -0.701 1
1 174 . 8 1 1 A 15 15 LEU CA C 537 57.723 57.958 -0.235 1
1 175 . 8 1 1 A 15 15 LEU CB C 537 41.396 41.869 -0.473 1
1 179 . 8 1 1 A 15 15 LEU N N 537 118.710 119.929 -1.219 1
1 180 . 8 1 1 A 16 16 ALA H H 538 7.816 8.393 -0.577 1
1 181 . 8 1 1 A 16 16 ALA HA H 538 4.026 4.149 -0.123 1
1 185 . 8 1 1 A 16 16 ALA C C 538 180.374 179.603 0.771 1
1 186 . 8 1 1 A 16 16 ALA CA C 538 54.734 54.855 -0.121 1
1 187 . 8 1 1 A 16 16 ALA CB C 538 17.670 18.072 -0.402 1
1 188 . 8 1 1 A 16 16 ALA N N 538 120.155 119.770 0.385 1
1 189 . 8 1 1 A 17 17 HIS H H 539 7.715 8.154 -0.439 1
1 190 . 8 1 1 A 17 17 HIS HA H 539 4.180 4.190 -0.010 1
1 194 . 8 1 1 A 17 17 HIS C C 539 179.167 176.627 2.540 1
1 195 . 8 1 1 A 17 17 HIS CA C 539 59.392 59.347 0.045 1
1 196 . 8 1 1 A 17 17 HIS CB C 539 29.094 29.784 -0.690 1
1 198 . 8 1 1 A 17 17 HIS N N 539 117.446 118.008 -0.562 1
1 199 . 8 1 1 A 18 18 ALA H H 540 8.995 8.419 0.576 1
1 200 . 8 1 1 A 18 18 ALA HA H 540 3.656 3.943 -0.287 1
1 204 . 8 1 1 A 18 18 ALA C C 540 180.803 179.627 1.176 1
1 205 . 8 1 1 A 18 18 ALA CA C 540 55.762 55.279 0.483 1
1 206 . 8 1 1 A 18 18 ALA CB C 540 18.380 18.130 0.250 1
1 207 . 8 1 1 A 18 18 ALA N N 540 124.222 120.832 3.390 1
1 208 . 8 1 1 A 19 19 GLU H H 541 8.840 8.363 0.477 1
1 209 . 8 1 1 A 19 19 GLU HA H 541 3.695 3.921 -0.226 1
1 214 . 8 1 1 A 19 19 GLU C C 541 178.479 179.007 -0.528 1
1 215 . 8 1 1 A 19 19 GLU CA C 541 59.695 59.603 0.092 1
1 216 . 8 1 1 A 19 19 GLU CB C 541 29.740 29.250 0.490 1
1 218 . 8 1 1 A 19 19 GLU N N 541 121.086 118.032 3.054 1
1 219 . 8 1 1 A 20 20 GLU H H 542 7.649 7.790 -0.141 1
1 220 . 8 1 1 A 20 20 GLU HA H 542 3.980 4.093 -0.113 1
1 225 . 8 1 1 A 20 20 GLU C C 542 178.212 177.541 0.671 1
1 226 . 8 1 1 A 20 20 GLU CA C 542 58.593 58.045 0.548 1
1 227 . 8 1 1 A 20 20 GLU CB C 542 30.293 29.377 0.916 1
1 229 . 8 1 1 A 20 20 GLU N N 542 117.027 119.572 -2.545 1
1 230 . 8 1 1 A 21 21 THR H H 543 7.588 7.295 0.293 1
1 231 . 8 1 1 A 21 21 THR HA H 543 4.105 4.477 -0.372 1
1 236 . 8 1 1 A 21 21 THR C C 543 175.320 174.831 0.489 1
1 237 . 8 1 1 A 21 21 THR CA C 543 62.110 61.267 0.843 1
1 238 . 8 1 1 A 21 21 THR CB C 543 70.747 70.462 0.285 1
1 240 . 8 1 1 A 21 21 THR N N 543 105.058 107.376 -2.318 1
1 241 . 8 1 1 A 22 22 ARG H H 544 7.678 7.825 -0.147 1
1 242 . 8 1 1 A 22 22 ARG HA H 544 3.925 3.892 0.033 1
1 249 . 8 1 1 A 22 22 ARG C C 544 175.207 175.138 0.069 1
1 250 . 8 1 1 A 22 22 ARG CA C 544 55.996 57.506 -1.510 1
1 251 . 8 1 1 A 22 22 ARG CB C 544 24.959 27.261 -2.302 1
1 254 . 8 1 1 A 22 22 ARG N N 544 116.694 116.516 0.178 1
1 255 . 8 1 1 A 23 23 LYS H H 545 6.931 7.571 -0.640 1
1 256 . 8 1 1 A 23 23 LYS HA H 545 4.169 4.290 -0.121 1
1 265 . 8 1 1 A 23 23 LYS C C 545 174.855 175.934 -1.079 1
1 266 . 8 1 1 A 23 23 LYS CA C 545 56.339 56.505 -0.166 1
1 267 . 8 1 1 A 23 23 LYS CB C 545 36.104 33.802 2.302 1
1 271 . 8 1 1 A 23 23 LYS N N 545 117.744 118.553 -0.809 1
1 272 . 8 1 1 A 24 24 LEU H H 546 7.898 8.260 -0.362 1
1 273 . 8 1 1 A 24 24 LEU HA H 546 4.487 4.679 -0.192 1
1 283 . 8 1 1 A 24 24 LEU C C 546 175.730 175.518 0.212 1
1 284 . 8 1 1 A 24 24 LEU CA C 546 54.171 55.081 -0.910 1
1 285 . 8 1 1 A 24 24 LEU CB C 546 43.228 42.778 0.450 1
1 289 . 8 1 1 A 24 24 LEU N N 546 122.692 123.428 -0.736 1
1 290 . 8 1 1 A 25 25 MET H H 547 8.767 8.826 -0.059 1
1 291 . 8 1 1 A 25 25 MET HA H 547 5.728 5.171 0.557 1
1 299 . 8 1 1 A 25 25 MET CA C 547 51.900 52.316 -0.416 1
1 300 . 8 1 1 A 25 25 MET CB C 547 34.876 34.499 0.377 1
1 303 . 8 1 1 A 25 25 MET N N 547 126.346 126.319 0.027 1
1 304 . 8 1 1 A 26 26 PRO HA H 548 5.994 5.065 0.929 1
1 311 . 8 1 1 A 26 26 PRO C C 548 176.241 176.006 0.235 1
1 312 . 8 1 1 A 26 26 PRO CA C 548 61.285 62.841 -1.556 1
1 313 . 8 1 1 A 26 26 PRO CB C 548 32.260 33.119 -0.859 1
1 316 . 8 1 1 A 27 27 ILE H H 549 9.054 8.686 0.368 1
1 317 . 8 1 1 A 27 27 ILE HA H 549 4.284 4.648 -0.364 1
1 327 . 8 1 1 A 27 27 ILE C C 549 173.407 174.964 -1.557 1
1 328 . 8 1 1 A 27 27 ILE CA C 549 57.503 59.609 -2.106 1
1 329 . 8 1 1 A 27 27 ILE CB C 549 41.581 41.600 -0.019 1
1 333 . 8 1 1 A 27 27 ILE N N 549 126.281 121.150 5.131 1
1 334 . 8 1 1 A 28 28 CYS H H 550 8.459 8.475 -0.016 1
1 335 . 8 1 1 A 28 28 CYS HA H 550 3.704 3.357 0.347 1
1 339 . 8 1 1 A 28 28 CYS C C 550 174.180 175.946 -1.766 1
1 340 . 8 1 1 A 28 28 CYS CA C 550 56.873 58.600 -1.727 1
1 341 . 8 1 1 A 28 28 CYS CB C 550 27.537 28.267 -0.730 1
1 342 . 8 1 1 A 28 28 CYS N N 550 125.844 126.155 -0.311 1
1 343 . 8 1 1 A 29 29 MET H H 551 8.782 8.706 0.076 1
1 344 . 8 1 1 A 29 29 MET HA H 551 4.637 4.108 0.529 1
1 352 . 8 1 1 A 29 29 MET C C 551 174.613 177.717 -3.104 1
1 353 . 8 1 1 A 29 29 MET CA C 551 56.871 57.171 -0.300 1
1 354 . 8 1 1 A 29 29 MET CB C 551 34.394 30.935 3.459 1
1 357 . 8 1 1 A 29 29 MET N N 551 127.467 126.984 0.483 1
1 358 . 8 1 1 A 30 30 ASP H H 552 7.308 8.282 -0.974 1
1 359 . 8 1 1 A 30 30 ASP HA H 552 4.562 4.334 0.228 1
1 362 . 8 1 1 A 30 30 ASP C C 552 175.386 176.402 -1.016 1
1 363 . 8 1 1 A 30 30 ASP CA C 552 54.371 56.291 -1.920 1
1 364 . 8 1 1 A 30 30 ASP CB C 552 41.751 41.187 0.564 1
1 365 . 8 1 1 A 30 30 ASP N N 552 117.209 120.845 -3.636 1
1 366 . 8 1 1 A 31 31 VAL H H 553 7.257 7.582 -0.325 1
1 367 . 8 1 1 A 31 31 VAL HA H 553 4.057 4.211 -0.154 1
1 375 . 8 1 1 A 31 31 VAL C C 553 175.729 175.795 -0.066 1
1 376 . 8 1 1 A 31 31 VAL CA C 553 61.834 62.101 -0.267 1
1 377 . 8 1 1 A 31 31 VAL CB C 553 30.034 30.094 -0.060 1
1 380 . 8 1 1 A 31 31 VAL N N 553 120.645 118.021 2.624 1
1 381 . 8 1 1 A 32 32 ARG H H 554 8.412 8.237 0.175 1
1 382 . 8 1 1 A 32 32 ARG HA H 554 3.794 3.970 -0.176 1
1 389 . 8 1 1 A 32 32 ARG C C 554 178.819 178.401 0.418 1
1 390 . 8 1 1 A 32 32 ARG CA C 554 59.725 59.910 -0.185 1
1 391 . 8 1 1 A 32 32 ARG CB C 554 29.537 30.014 -0.477 1
1 394 . 8 1 1 A 32 32 ARG N N 554 130.554 128.406 2.148 1
1 395 . 8 1 1 A 33 33 ALA H H 555 9.094 7.824 1.270 1
1 396 . 8 1 1 A 33 33 ALA HA H 555 4.081 4.080 0.001 1
1 400 . 8 1 1 A 33 33 ALA C C 555 180.716 179.925 0.791 1
1 401 . 8 1 1 A 33 33 ALA CA C 555 55.002 55.189 -0.187 1
1 402 . 8 1 1 A 33 33 ALA CB C 555 18.462 18.624 -0.162 1
1 403 . 8 1 1 A 33 33 ALA N N 555 119.862 120.892 -1.030 1
1 404 . 8 1 1 A 34 34 ILE H H 556 6.620 7.642 -1.022 1
1 405 . 8 1 1 A 34 34 ILE HA H 556 3.745 3.614 0.131 1
1 415 . 8 1 1 A 34 34 ILE C C 556 177.540 177.888 -0.348 1
1 416 . 8 1 1 A 34 34 ILE CA C 556 64.101 65.156 -1.055 1
1 417 . 8 1 1 A 34 34 ILE CB C 556 38.397 37.864 0.533 1
1 421 . 8 1 1 A 34 34 ILE N N 556 116.216 117.661 -1.445 1
1 422 . 8 1 1 A 35 35 MET H H 557 7.619 8.366 -0.747 1
1 423 . 8 1 1 A 35 35 MET HA H 557 4.249 4.176 0.073 1
1 431 . 8 1 1 A 35 35 MET C C 557 178.737 178.280 0.457 1
1 432 . 8 1 1 A 35 35 MET CA C 557 56.113 58.572 -2.459 1
1 433 . 8 1 1 A 35 35 MET CB C 557 29.490 32.474 -2.984 1
1 436 . 8 1 1 A 35 35 MET N N 557 118.017 118.271 -0.254 1
1 437 . 8 1 1 A 36 36 ALA H H 558 8.410 7.848 0.562 1
1 438 . 8 1 1 A 36 36 ALA HA H 558 4.084 4.087 -0.003 1
1 442 . 8 1 1 A 36 36 ALA C C 558 180.632 179.660 0.972 1
1 443 . 8 1 1 A 36 36 ALA CA C 558 55.024 55.047 -0.023 1
1 444 . 8 1 1 A 36 36 ALA CB C 558 17.698 18.258 -0.560 1
1 445 . 8 1 1 A 36 36 ALA N N 558 121.592 121.466 0.126 1
1 446 . 8 1 1 A 37 37 THR H H 559 7.294 8.107 -0.813 1
1 447 . 8 1 1 A 37 37 THR HA H 559 3.858 3.896 -0.038 1
1 452 . 8 1 1 A 37 37 THR C C 559 176.419 176.543 -0.124 1
1 453 . 8 1 1 A 37 37 THR CA C 559 66.590 67.095 -0.505 1
1 454 . 8 1 1 A 37 37 THR CB C 559 68.001 68.874 -0.873 1
1 456 . 8 1 1 A 37 37 THR N N 559 115.835 114.520 1.315 1
1 457 . 8 1 1 A 38 38 ILE H H 560 8.109 8.135 -0.026 1
1 458 . 8 1 1 A 38 38 ILE HA H 560 3.698 3.839 -0.141 1
1 468 . 8 1 1 A 38 38 ILE C C 560 176.934 177.961 -1.027 1
1 469 . 8 1 1 A 38 38 ILE CA C 560 65.952 65.600 0.352 1
1 470 . 8 1 1 A 38 38 ILE CB C 560 38.252 37.790 0.462 1
1 474 . 8 1 1 A 38 38 ILE N N 560 121.886 121.607 0.279 1
1 475 . 8 1 1 A 39 39 GLN H H 561 8.425 8.085 0.340 1
1 476 . 8 1 1 A 39 39 GLN HA H 561 3.809 4.264 -0.455 1
1 483 . 8 1 1 A 39 39 GLN C C 561 177.126 178.886 -1.760 1
1 484 . 8 1 1 A 39 39 GLN CA C 561 58.751 59.093 -0.342 1
1 485 . 8 1 1 A 39 39 GLN CB C 561 29.255 28.343 0.912 1
1 487 . 8 1 1 A 39 39 GLN N N 561 116.211 118.869 -2.658 1
1 489 . 8 1 1 A 40 40 ARG H H 562 7.334 8.198 -0.864 1
1 490 . 8 1 1 A 40 40 ARG HA H 562 4.092 4.170 -0.078 1
1 497 . 8 1 1 A 40 40 ARG C C 562 177.186 178.593 -1.407 1
1 498 . 8 1 1 A 40 40 ARG CA C 562 57.837 59.358 -1.521 1
1 499 . 8 1 1 A 40 40 ARG CB C 562 30.668 29.879 0.789 1
1 502 . 8 1 1 A 40 40 ARG N N 562 116.464 120.838 -4.374 1
1 503 . 8 1 1 A 41 41 LYS H H 563 7.802 7.809 -0.007 1
1 504 . 8 1 1 A 41 41 LYS HA H 563 3.926 4.052 -0.126 1
1 513 . 8 1 1 A 41 41 LYS C C 563 176.735 176.280 0.455 1
1 514 . 8 1 1 A 41 41 LYS CA C 563 57.866 58.026 -0.160 1
1 515 . 8 1 1 A 41 41 LYS CB C 563 33.314 33.088 0.226 1
1 519 . 8 1 1 A 41 41 LYS N N 563 118.658 118.389 0.269 1
1 520 . 8 1 1 A 42 42 TYR H H 564 8.208 8.703 -0.495 1
1 521 . 8 1 1 A 42 42 TYR HA H 564 4.786 5.313 -0.527 1
1 528 . 8 1 1 A 42 42 TYR C C 564 174.346 176.197 -1.851 1
1 529 . 8 1 1 A 42 42 TYR CA C 564 55.497 56.182 -0.685 1
1 530 . 8 1 1 A 42 42 TYR CB C 564 36.075 38.206 -2.131 1
1 533 . 8 1 1 A 42 42 TYR N N 564 121.157 117.554 3.603 1
1 534 . 8 1 1 A 43 43 LYS H H 565 7.212 8.325 -1.113 1
1 535 . 8 1 1 A 43 43 LYS HA H 565 4.081 4.153 -0.072 1
1 544 . 8 1 1 A 43 43 LYS C C 565 179.082 178.753 0.329 1
1 545 . 8 1 1 A 43 43 LYS CA C 565 58.075 59.616 -1.541 1
1 546 . 8 1 1 A 43 43 LYS CB C 565 32.157 32.131 0.026 1
1 550 . 8 1 1 A 43 43 LYS N N 565 119.412 124.248 -4.836 1
1 551 . 8 1 1 A 44 44 GLY H H 566 9.179 8.230 0.949 1
1 552 . 8 1 1 A 44 44 GLY HA2 H 566 3.607 3.653 -0.046 1
1 553 . 8 1 1 A 44 44 GLY HA3 H 566 4.252 3.667 0.585 1
1 554 . 8 1 1 A 44 44 GLY C C 566 173.990 174.508 -0.518 1
1 555 . 8 1 1 A 44 44 GLY CA C 566 44.860 47.306 -2.446 1
1 556 . 8 1 1 A 44 44 GLY N N 566 114.958 107.087 7.871 1
1 557 . 8 1 1 A 45 45 ILE H H 567 7.604 7.105 0.499 1
1 558 . 8 1 1 A 45 45 ILE HA H 567 2.533 3.684 -1.151 1
1 568 . 8 1 1 A 45 45 ILE C C 567 172.893 175.329 -2.436 1
1 569 . 8 1 1 A 45 45 ILE CA C 567 61.754 61.531 0.223 1
1 570 . 8 1 1 A 45 45 ILE CB C 567 38.302 38.626 -0.324 1
1 574 . 8 1 1 A 45 45 ILE N N 567 122.496 121.627 0.869 1
1 575 . 8 1 1 A 46 46 LYS H H 568 7.733 8.401 -0.668 1
1 576 . 8 1 1 A 46 46 LYS HA H 568 4.307 4.643 -0.336 1
1 585 . 8 1 1 A 46 46 LYS C C 568 174.772 175.833 -1.061 1
1 586 . 8 1 1 A 46 46 LYS CA C 568 54.069 54.762 -0.693 1
1 587 . 8 1 1 A 46 46 LYS CB C 568 31.741 34.861 -3.120 1
1 591 . 8 1 1 A 46 46 LYS N N 568 128.712 127.465 1.247 1
1 592 . 8 1 1 A 47 47 ILE H H 569 8.081 8.509 -0.428 1
1 593 . 8 1 1 A 47 47 ILE HA H 569 3.166 3.840 -0.674 1
1 603 . 8 1 1 A 47 47 ILE CA C 569 61.564 61.054 0.510 1
1 604 . 8 1 1 A 47 47 ILE CB C 569 36.718 36.519 0.199 1
1 608 . 8 1 1 A 47 47 ILE N N 569 124.424 124.760 -0.336 1
1 609 . 8 1 1 A 48 48 GLN H H 570 6.700 8.234 -1.534 1
1 610 . 8 1 1 A 48 48 GLN HA H 570 4.205 4.946 -0.741 1
1 617 . 8 1 1 A 48 48 GLN CA C 570 53.129 53.741 -0.612 1
1 618 . 8 1 1 A 48 48 GLN CB C 570 31.211 32.225 -1.014 1
1 620 . 8 1 1 A 48 48 GLN N N 570 122.748 126.137 -3.389 1
1 622 . 8 1 1 A 49 49 GLU H H 571 8.218 8.555 -0.337 1
1 623 . 8 1 1 A 49 49 GLU HA H 571 3.727 4.607 -0.880 1
1 628 . 8 1 1 A 49 49 GLU CA C 571 57.976 56.493 1.483 1
1 629 . 8 1 1 A 49 49 GLU CB C 571 30.954 28.310 2.644 1
1 631 . 8 1 1 A 49 49 GLU N N 571 116.531 122.308 -5.777 1
1 632 . 8 1 1 A 50 50 GLY H H 572 8.967 7.852 1.115 1
1 633 . 8 1 1 A 50 50 GLY HA2 H 572 2.810 4.354 -1.544 1
1 634 . 8 1 1 A 50 50 GLY HA3 H 572 4.198 4.438 -0.240 1
1 635 . 8 1 1 A 50 50 GLY CA C 572 43.607 45.955 -2.348 1
1 636 . 8 1 1 A 50 50 GLY N N 572 111.469 110.239 1.230 1
1 637 . 8 1 1 A 51 51 ILE H H 573 8.410 8.804 -0.394 1
1 638 . 8 1 1 A 51 51 ILE HA H 573 4.916 4.572 0.344 1
1 648 . 8 1 1 A 51 51 ILE CA C 573 61.137 62.174 -1.037 1
1 649 . 8 1 1 A 51 51 ILE CB C 573 38.165 38.021 0.144 1
1 653 . 8 1 1 A 51 51 ILE N N 573 120.591 122.568 -1.977 1
1 654 . 8 1 1 A 52 52 VAL H H 574 8.900 8.873 0.027 1
1 655 . 8 1 1 A 52 52 VAL HA H 574 4.073 4.837 -0.764 1
1 663 . 8 1 1 A 52 52 VAL CA C 574 62.516 60.802 1.714 1
1 664 . 8 1 1 A 52 52 VAL CB C 574 35.957 35.702 0.255 1
1 667 . 8 1 1 A 52 52 VAL N N 574 131.435 128.082 3.353 1
1 668 . 8 1 1 A 53 53 ASP H H 575 8.731 8.967 -0.236 1
1 669 . 8 1 1 A 53 53 ASP HA H 575 4.953 5.097 -0.144 1
1 672 . 8 1 1 A 53 53 ASP CA C 575 52.137 53.329 -1.192 1
1 673 . 8 1 1 A 53 53 ASP CB C 575 40.659 41.685 -1.026 1
1 674 . 8 1 1 A 53 53 ASP N N 575 126.463 128.297 -1.834 1
1 675 . 8 1 1 A 54 54 TYR H H 576 8.639 8.841 -0.202 1
1 676 . 8 1 1 A 54 54 TYR HA H 576 4.407 4.888 -0.481 1
1 683 . 8 1 1 A 54 54 TYR CA C 576 57.833 57.607 0.226 1
1 684 . 8 1 1 A 54 54 TYR CB C 576 38.634 40.353 -1.719 1
1 687 . 8 1 1 A 54 54 TYR N N 576 131.097 127.017 4.080 1
1 688 . 8 1 1 A 55 55 GLY H H 577 8.388 8.989 -0.601 1
1 689 . 8 1 1 A 55 55 GLY HA2 H 577 3.056 3.889 -0.833 1
1 690 . 8 1 1 A 55 55 GLY HA3 H 577 4.307 3.991 0.316 1
1 691 . 8 1 1 A 55 55 GLY CA C 577 46.347 46.136 0.211 1
1 692 . 8 1 1 A 55 55 GLY N N 577 115.719 116.540 -0.821 1
1 693 . 8 1 1 A 56 56 VAL H H 578 7.143 7.685 -0.542 1
1 694 . 8 1 1 A 56 56 VAL HA H 578 3.410 4.092 -0.682 1
1 702 . 8 1 1 A 56 56 VAL CA C 578 60.335 60.765 -0.430 1
1 703 . 8 1 1 A 56 56 VAL CB C 578 35.027 32.701 2.326 1
1 706 . 8 1 1 A 56 56 VAL N N 578 124.853 119.736 5.117 1
1 707 . 8 1 1 A 57 57 ARG H H 579 8.091 8.383 -0.292 1
1 708 . 8 1 1 A 57 57 ARG HA H 579 4.292 4.632 -0.340 1
1 715 . 8 1 1 A 57 57 ARG CA C 579 55.039 55.604 -0.565 1
1 716 . 8 1 1 A 57 57 ARG CB C 579 29.224 30.886 -1.662 1
1 719 . 8 1 1 A 57 57 ARG N N 579 124.754 126.278 -1.524 1
1 720 . 8 1 1 A 58 58 PHE H H 580 8.499 9.296 -0.797 1
1 721 . 8 1 1 A 58 58 PHE HA H 580 4.647 5.408 -0.761 1
1 729 . 8 1 1 A 58 58 PHE CA C 580 57.563 56.572 0.991 1
1 730 . 8 1 1 A 58 58 PHE CB C 580 42.026 42.217 -0.191 1
1 734 . 8 1 1 A 58 58 PHE N N 580 124.105 125.771 -1.666 1
1 735 . 8 1 1 A 59 59 PHE H H 581 7.683 8.573 -0.890 1
1 736 . 8 1 1 A 59 59 PHE HA H 581 4.689 5.154 -0.465 1
1 743 . 8 1 1 A 59 59 PHE CA C 581 56.662 56.866 -0.204 1
1 744 . 8 1 1 A 59 59 PHE CB C 581 41.024 41.046 -0.022 1
1 747 . 8 1 1 A 59 59 PHE N N 581 119.707 122.688 -2.981 1
1 748 . 8 1 1 A 60 60 PHE H H 582 8.898 8.629 0.269 1
1 749 . 8 1 1 A 60 60 PHE HA H 582 5.563 5.050 0.513 1
1 757 . 8 1 1 A 60 60 PHE CA C 582 57.615 57.325 0.290 1
1 758 . 8 1 1 A 60 60 PHE CB C 582 39.539 40.378 -0.839 1
1 762 . 8 1 1 A 60 60 PHE N N 582 127.157 126.218 0.939 1
1 763 . 8 1 1 A 61 61 TYR H H 583 8.441 9.000 -0.559 1
1 764 . 8 1 1 A 61 61 TYR HA H 583 5.301 5.368 -0.067 1
1 771 . 8 1 1 A 61 61 TYR CA C 583 54.556 55.250 -0.694 1
1 772 . 8 1 1 A 61 61 TYR CB C 583 41.444 41.183 0.261 1
1 775 . 8 1 1 A 61 61 TYR N N 583 119.072 119.153 -0.081 1
1 776 . 8 1 1 A 62 62 THR H H 584 9.444 8.724 0.720 1
1 777 . 8 1 1 A 62 62 THR HA H 584 4.680 4.768 -0.088 1
1 782 . 8 1 1 A 62 62 THR CA C 584 59.784 60.052 -0.268 1
1 783 . 8 1 1 A 62 62 THR CB C 584 71.274 70.669 0.605 1
1 785 . 8 1 1 A 62 62 THR N N 584 113.469 114.883 -1.414 1
1 786 . 8 1 1 A 63 63 SER H H 585 9.092 9.008 0.084 1
1 787 . 8 1 1 A 63 63 SER HA H 585 4.685 3.991 0.694 1
1 790 . 8 1 1 A 63 63 SER CA C 585 59.665 61.200 -1.535 1
1 791 . 8 1 1 A 63 63 SER CB C 585 62.835 62.529 0.306 1
1 792 . 8 1 1 A 63 63 SER N N 585 114.155 117.998 -3.843 1
1 793 . 8 1 1 A 64 64 LYS H H 586 7.484 7.809 -0.325 1
1 794 . 8 1 1 A 64 64 LYS HA H 586 4.074 4.272 -0.198 1
1 803 . 8 1 1 A 64 64 LYS CA C 586 55.960 58.729 -2.769 1
1 804 . 8 1 1 A 64 64 LYS CB C 586 32.662 32.888 -0.226 1
1 808 . 8 1 1 A 64 64 LYS N N 586 118.230 119.191 -0.961 1
1 809 . 8 1 1 A 65 65 GLU H H 587 7.194 7.782 -0.588 1
1 810 . 8 1 1 A 65 65 GLU HA H 587 4.584 4.462 0.122 1
1 815 . 8 1 1 A 65 65 GLU CA C 587 53.443 54.688 -1.245 1
1 816 . 8 1 1 A 65 65 GLU CB C 587 30.381 30.620 -0.239 1
1 818 . 8 1 1 A 65 65 GLU N N 587 124.837 121.510 3.327 1
1 819 . 8 1 1 A 66 66 PRO HA H 588 4.506 4.551 -0.045 1
1 826 . 8 1 1 A 66 66 PRO CA C 588 62.620 63.351 -0.731 1
1 827 . 8 1 1 A 66 66 PRO CB C 588 32.368 32.489 -0.121 1
1 830 . 8 1 1 A 67 67 VAL H H 589 8.545 8.739 -0.194 1
1 831 . 8 1 1 A 67 67 VAL HA H 589 3.136 2.959 0.177 1
1 839 . 8 1 1 A 67 67 VAL CA C 589 66.588 64.789 1.799 1
1 840 . 8 1 1 A 67 67 VAL CB C 589 30.979 31.514 -0.535 1
1 843 . 8 1 1 A 67 67 VAL N N 589 123.156 124.712 -1.556 1
1 844 . 8 1 1 A 68 68 ALA H H 590 8.700 8.312 0.388 1
1 845 . 8 1 1 A 68 68 ALA HA H 590 3.953 3.959 -0.006 1
1 849 . 8 1 1 A 68 68 ALA CA C 590 54.867 55.570 -0.703 1
1 850 . 8 1 1 A 68 68 ALA CB C 590 18.134 18.521 -0.387 1
1 851 . 8 1 1 A 68 68 ALA N N 590 118.895 123.427 -4.532 1
1 852 . 8 1 1 A 69 69 SER H H 591 6.961 8.006 -1.045 1
1 853 . 8 1 1 A 69 69 SER HA H 591 4.195 4.196 -0.001 1
1 856 . 8 1 1 A 69 69 SER CA C 591 60.029 61.539 -1.510 1
1 857 . 8 1 1 A 69 69 SER CB C 591 62.045 63.030 -0.985 1
1 858 . 8 1 1 A 69 69 SER N N 591 111.445 112.525 -1.080 1
1 859 . 8 1 1 A 70 70 ILE H H 592 7.386 8.131 -0.745 1
1 860 . 8 1 1 A 70 70 ILE HA H 592 3.361 3.722 -0.361 1
1 870 . 8 1 1 A 70 70 ILE CA C 592 65.332 64.498 0.834 1
1 871 . 8 1 1 A 70 70 ILE CB C 592 38.427 37.376 1.051 1
1 875 . 8 1 1 A 70 70 ILE N N 592 122.407 121.097 1.310 1
1 876 . 8 1 1 A 71 71 ILE H H 593 8.332 8.516 -0.184 1
1 877 . 8 1 1 A 71 71 ILE HA H 593 3.256 3.548 -0.292 1
1 887 . 8 1 1 A 71 71 ILE CA C 593 65.023 65.064 -0.041 1
1 888 . 8 1 1 A 71 71 ILE CB C 593 36.662 37.450 -0.788 1
1 892 . 8 1 1 A 71 71 ILE N N 593 117.779 121.585 -3.806 1
1 893 . 8 1 1 A 72 72 THR H H 594 7.834 8.057 -0.223 1
1 894 . 8 1 1 A 72 72 THR HA H 594 3.845 3.966 -0.121 1
1 899 . 8 1 1 A 72 72 THR CA C 594 67.376 66.737 0.639 1
1 900 . 8 1 1 A 72 72 THR CB C 594 68.291 68.698 -0.407 1
1 902 . 8 1 1 A 72 72 THR N N 594 117.154 117.322 -0.168 1
1 903 . 8 1 1 A 73 73 LYS H H 595 7.803 7.760 0.043 1
1 904 . 8 1 1 A 73 73 LYS HA H 595 3.936 4.018 -0.082 1
1 913 . 8 1 1 A 73 73 LYS CA C 595 59.853 59.362 0.491 1
1 914 . 8 1 1 A 73 73 LYS CB C 595 32.531 32.490 0.041 1
1 918 . 8 1 1 A 73 73 LYS N N 595 122.657 120.744 1.913 1
1 919 . 8 1 1 A 74 74 LEU H H 596 8.088 7.735 0.353 1
1 920 . 8 1 1 A 74 74 LEU HA H 596 3.681 3.895 -0.214 1
1 930 . 8 1 1 A 74 74 LEU CA C 596 57.217 57.974 -0.757 1
1 931 . 8 1 1 A 74 74 LEU CB C 596 41.122 40.945 0.177 1
1 935 . 8 1 1 A 74 74 LEU N N 596 119.593 120.172 -0.579 1
1 936 . 8 1 1 A 75 75 ASN H H 597 8.949 8.684 0.265 1
1 937 . 8 1 1 A 75 75 ASN HA H 597 4.471 4.374 0.097 1
1 942 . 8 1 1 A 75 75 ASN CA C 597 54.735 56.798 -2.063 1
1 943 . 8 1 1 A 75 75 ASN CB C 597 37.074 38.392 -1.318 1
1 944 . 8 1 1 A 75 75 ASN N N 597 121.103 118.868 2.235 1
1 946 . 8 1 1 A 76 76 SER H H 598 7.927 8.505 -0.578 1
1 947 . 8 1 1 A 76 76 SER HA H 598 4.137 4.198 -0.061 1
1 950 . 8 1 1 A 76 76 SER CA C 598 60.952 61.418 -0.466 1
1 951 . 8 1 1 A 76 76 SER CB C 598 62.516 62.246 0.270 1
1 952 . 8 1 1 A 76 76 SER N N 598 116.716 114.398 2.318 1
1 953 . 8 1 1 A 77 77 LEU H H 599 7.543 7.911 -0.368 1
1 954 . 8 1 1 A 77 77 LEU HA H 599 3.974 3.911 0.063 1
1 964 . 8 1 1 A 77 77 LEU CA C 599 57.200 57.683 -0.483 1
1 965 . 8 1 1 A 77 77 LEU CB C 599 41.749 41.613 0.136 1
1 969 . 8 1 1 A 77 77 LEU N N 599 121.292 122.011 -0.719 1
1 970 . 8 1 1 A 78 78 ASN H H 600 7.755 8.383 -0.628 1
1 971 . 8 1 1 A 78 78 ASN HA H 600 4.114 4.334 -0.220 1
1 976 . 8 1 1 A 78 78 ASN CA C 600 53.603 54.094 -0.491 1
1 977 . 8 1 1 A 78 78 ASN CB C 600 37.688 37.141 0.547 1
1 978 . 8 1 1 A 78 78 ASN N N 600 113.272 117.751 -4.479 1
1 980 . 8 1 1 A 79 79 GLU H H 601 8.389 7.877 0.512 1
1 981 . 8 1 1 A 79 79 GLU HA H 601 4.675 4.780 -0.105 1
1 986 . 8 1 1 A 79 79 GLU CA C 601 53.418 52.836 0.582 1
1 987 . 8 1 1 A 79 79 GLU CB C 601 30.704 30.624 0.080 1
1 989 . 8 1 1 A 79 79 GLU N N 601 118.840 118.024 0.816 1
1 990 . 8 1 1 A 80 80 PRO HA H 602 4.771 4.843 -0.072 1
1 997 . 8 1 1 A 80 80 PRO CA C 602 62.189 62.502 -0.313 1
1 998 . 8 1 1 A 80 80 PRO CB C 602 32.196 31.902 0.294 1
1 1001 . 8 1 1 A 81 81 LEU H H 603 8.539 8.617 -0.078 1
1 1002 . 8 1 1 A 81 81 LEU HA H 603 5.766 5.024 0.742 1
1 1012 . 8 1 1 A 81 81 LEU CA C 603 53.432 53.460 -0.028 1
1 1013 . 8 1 1 A 81 81 LEU CB C 603 48.114 43.513 4.601 1
1 1017 . 8 1 1 A 81 81 LEU N N 603 118.455 123.982 -5.527 1
1 1018 . 8 1 1 A 82 82 VAL H H 604 8.322 8.230 0.092 1
1 1019 . 8 1 1 A 82 82 VAL HA H 604 5.110 4.902 0.208 1
1 1027 . 8 1 1 A 82 82 VAL CA C 604 59.609 60.867 -1.258 1
1 1028 . 8 1 1 A 82 82 VAL CB C 604 34.100 34.528 -0.428 1
1 1031 . 8 1 1 A 82 82 VAL N N 604 121.259 120.068 1.191 1
1 1032 . 8 1 1 A 83 83 THR H H 605 8.570 8.798 -0.228 1
1 1033 . 8 1 1 A 83 83 THR HA H 605 5.107 4.834 0.273 1
1 1038 . 8 1 1 A 83 83 THR CA C 605 59.606 60.043 -0.437 1
1 1039 . 8 1 1 A 83 83 THR CB C 605 71.321 70.022 1.299 1
1 1041 . 8 1 1 A 83 83 THR N N 605 117.620 121.454 -3.834 1
1 1042 . 8 1 1 A 84 84 MET H H 606 8.288 8.583 -0.295 1
1 1043 . 8 1 1 A 84 84 MET HA H 606 5.310 4.844 0.466 1
1 1051 . 8 1 1 A 84 84 MET CA C 606 55.491 53.713 1.778 1
1 1052 . 8 1 1 A 84 84 MET CB C 606 31.549 33.830 -2.281 1
1 1055 . 8 1 1 A 84 84 MET N N 606 125.405 122.128 3.277 1
1 1056 . 8 1 1 A 85 85 PRO HA H 607 4.048 4.686 -0.638 1
1 1063 . 8 1 1 A 85 85 PRO CA C 607 63.608 63.061 0.547 1
1 1064 . 8 1 1 A 85 85 PRO CB C 607 31.291 31.739 -0.448 1
1 1067 . 8 1 1 A 86 86 ILE H H 608 8.326 8.600 -0.274 1
1 1068 . 8 1 1 A 86 86 ILE HA H 608 3.423 4.018 -0.595 1
1 1078 . 8 1 1 A 86 86 ILE CA C 608 63.457 64.319 -0.862 1
1 1079 . 8 1 1 A 86 86 ILE CB C 608 35.800 38.102 -2.302 1
1 1083 . 8 1 1 A 86 86 ILE N N 608 133.106 121.597 11.509 1
1 1084 . 8 1 1 A 87 87 GLY H H 609 8.549 8.107 0.442 1
1 1085 . 8 1 1 A 87 87 GLY HA2 H 609 3.448 3.698 -0.250 1
1 1086 . 8 1 1 A 87 87 GLY HA3 H 609 4.101 3.827 0.274 1
1 1087 . 8 1 1 A 87 87 GLY CA C 609 44.556 46.846 -2.290 1
1 1088 . 8 1 1 A 87 87 GLY N N 609 111.653 108.763 2.890 1
1 1089 . 8 1 1 A 88 88 TYR H H 610 7.224 8.159 -0.935 1
1 1090 . 8 1 1 A 88 88 TYR HA H 610 4.437 4.821 -0.384 1
1 1097 . 8 1 1 A 88 88 TYR CA C 610 57.670 56.516 1.154 1
1 1098 . 8 1 1 A 88 88 TYR CB C 610 38.604 40.787 -2.183 1
1 1101 . 8 1 1 A 88 88 TYR N N 610 121.537 123.902 -2.365 1
1 1102 . 8 1 1 A 89 89 VAL H H 611 8.953 7.813 1.140 1
1 1103 . 8 1 1 A 89 89 VAL HA H 611 3.065 3.547 -0.482 1
1 1111 . 8 1 1 A 89 89 VAL CA C 611 70.009 65.877 4.132 1
1 1112 . 8 1 1 A 89 89 VAL CB C 611 30.422 30.985 -0.563 1
1 1115 . 8 1 1 A 89 89 VAL N N 611 128.074 119.911 8.163 1
1 1116 . 8 1 1 A 90 90 THR H H 612 9.348 8.032 1.316 1
1 1117 . 8 1 1 A 90 90 THR HA H 612 3.810 3.950 -0.140 1
1 1122 . 8 1 1 A 90 90 THR CA C 612 64.727 65.549 -0.822 1
1 1123 . 8 1 1 A 90 90 THR CB C 612 68.005 67.845 0.160 1
1 1125 . 8 1 1 A 90 90 THR N N 612 117.972 114.511 3.461 1
1 1126 . 8 1 1 A 91 91 HIS H H 613 7.651 7.743 -0.092 1
1 1127 . 8 1 1 A 91 91 HIS HA H 613 4.685 4.464 0.221 1
1 1131 . 8 1 1 A 91 91 HIS CA C 613 55.419 55.933 -0.514 1
1 1132 . 8 1 1 A 91 91 HIS CB C 613 29.092 30.204 -1.112 1
1 1134 . 8 1 1 A 91 91 HIS N N 613 119.034 116.625 2.409 1
1 1135 . 8 1 1 A 92 92 GLY H H 614 7.655 7.990 -0.335 1
1 1136 . 8 1 1 A 92 92 GLY HA2 H 614 3.665 3.835 -0.170 1
1 1137 . 8 1 1 A 92 92 GLY HA3 H 614 4.095 3.884 0.211 1
1 1138 . 8 1 1 A 92 92 GLY CA C 614 45.035 45.887 -0.852 1
1 1139 . 8 1 1 A 92 92 GLY N N 614 106.031 108.421 -2.390 1
1 1140 . 8 1 1 A 93 93 PHE H H 615 6.716 7.810 -1.094 1
1 1141 . 8 1 1 A 93 93 PHE HA H 615 5.244 4.598 0.646 1
1 1149 . 8 1 1 A 93 93 PHE CA C 615 53.904 58.122 -4.218 1
1 1150 . 8 1 1 A 93 93 PHE CB C 615 38.587 40.352 -1.765 1
1 1154 . 8 1 1 A 93 93 PHE N N 615 116.220 119.502 -3.282 1
1 1155 . 8 1 1 A 94 94 ASN H H 616 9.141 9.071 0.070 1
1 1156 . 8 1 1 A 94 94 ASN HA H 616 4.956 5.094 -0.138 1
1 1161 . 8 1 1 A 94 94 ASN CA C 616 51.278 53.357 -2.079 1
1 1162 . 8 1 1 A 94 94 ASN CB C 616 37.692 39.417 -1.725 1
1 1163 . 8 1 1 A 94 94 ASN N N 616 122.153 120.344 1.809 1
1 1165 . 8 1 1 A 95 95 LEU H H 617 8.684 8.975 -0.291 1
1 1166 . 8 1 1 A 95 95 LEU HA H 617 3.831 4.048 -0.217 1
1 1176 . 8 1 1 A 95 95 LEU CA C 617 58.457 57.916 0.541 1
1 1177 . 8 1 1 A 95 95 LEU CB C 617 41.985 41.771 0.214 1
1 1181 . 8 1 1 A 95 95 LEU N N 617 119.153 126.477 -7.324 1
1 1182 . 8 1 1 A 96 96 GLU H H 618 7.747 8.326 -0.579 1
1 1183 . 8 1 1 A 96 96 GLU HA H 618 2.864 3.330 -0.466 1
1 1188 . 8 1 1 A 96 96 GLU CA C 618 59.402 59.198 0.204 1
1 1189 . 8 1 1 A 96 96 GLU CB C 618 28.323 28.740 -0.417 1
1 1191 . 8 1 1 A 96 96 GLU N N 618 120.199 118.983 1.216 1
1 1192 . 8 1 1 A 97 97 GLU H H 619 8.503 8.111 0.392 1
1 1193 . 8 1 1 A 97 97 GLU HA H 619 3.497 3.908 -0.411 1
1 1198 . 8 1 1 A 97 97 GLU CA C 619 58.251 59.146 -0.895 1
1 1199 . 8 1 1 A 97 97 GLU CB C 619 29.073 29.502 -0.429 1
1 1201 . 8 1 1 A 97 97 GLU N N 619 118.988 117.755 1.233 1
1 1202 . 8 1 1 A 98 98 ALA H H 620 8.311 8.601 -0.290 1
1 1203 . 8 1 1 A 98 98 ALA HA H 620 4.211 4.633 -0.422 1
1 1207 . 8 1 1 A 98 98 ALA CA C 620 54.717 55.231 -0.514 1
1 1208 . 8 1 1 A 98 98 ALA CB C 620 18.635 18.077 0.558 1
1 1209 . 8 1 1 A 98 98 ALA N N 620 121.102 123.659 -2.557 1
1 1210 . 8 1 1 A 99 99 ALA H H 621 8.570 8.056 0.514 1
1 1211 . 8 1 1 A 99 99 ALA HA H 621 3.831 3.611 0.220 1
1 1215 . 8 1 1 A 99 99 ALA CA C 621 55.004 55.121 -0.117 1
1 1216 . 8 1 1 A 99 99 ALA CB C 621 18.548 17.884 0.664 1
1 1217 . 8 1 1 A 99 99 ALA N N 621 121.431 119.832 1.599 1
1 1218 . 8 1 1 A 100 100 ARG H H 622 7.646 8.119 -0.473 1
1 1219 . 8 1 1 A 100 100 ARG HA H 622 3.636 4.029 -0.393 1
1 1226 . 8 1 1 A 100 100 ARG CA C 622 59.556 59.796 -0.240 1
1 1227 . 8 1 1 A 100 100 ARG CB C 622 29.420 29.940 -0.520 1
1 1230 . 8 1 1 A 100 100 ARG N N 622 114.812 117.092 -2.280 1
1 1231 . 8 1 1 A 101 101 CYS H H 623 7.503 8.219 -0.716 1
1 1232 . 8 1 1 A 101 101 CYS HA H 623 4.081 4.144 -0.063 1
1 1235 . 8 1 1 A 101 101 CYS CA C 623 62.364 62.142 0.222 1
1 1236 . 8 1 1 A 101 101 CYS CB C 623 26.301 27.291 -0.990 1
1 1237 . 8 1 1 A 101 101 CYS N N 623 118.667 119.209 -0.542 1
1 1238 . 8 1 1 A 102 102 MET H H 624 8.332 8.615 -0.283 1
1 1239 . 8 1 1 A 102 102 MET HA H 624 4.165 4.477 -0.312 1
1 1247 . 8 1 1 A 102 102 MET CA C 624 55.808 56.770 -0.962 1
1 1248 . 8 1 1 A 102 102 MET CB C 624 30.500 31.442 -0.942 1
1 1251 . 8 1 1 A 102 102 MET N N 624 119.480 119.340 0.140 1
1 1252 . 8 1 1 A 103 103 ARG H H 625 7.505 7.559 -0.054 1
1 1253 . 8 1 1 A 103 103 ARG HA H 625 4.022 4.194 -0.172 1
1 1260 . 8 1 1 A 103 103 ARG CA C 625 58.658 58.572 0.086 1
1 1261 . 8 1 1 A 103 103 ARG CB C 625 30.413 29.867 0.546 1
1 1264 . 8 1 1 A 103 103 ARG N N 625 120.614 119.348 1.266 1
1 1265 . 8 1 1 A 104 104 SER H H 626 7.635 7.821 -0.186 1
1 1266 . 8 1 1 A 104 104 SER HA H 626 4.278 4.543 -0.265 1
1 1269 . 8 1 1 A 104 104 SER CA C 626 58.925 58.705 0.220 1
1 1270 . 8 1 1 A 104 104 SER CB C 626 63.785 63.993 -0.208 1
1 1271 . 8 1 1 A 104 104 SER N N 626 111.144 112.978 -1.834 1
1 1272 . 8 1 1 A 105 105 LEU H H 627 7.602 7.422 0.180 1
1 1273 . 8 1 1 A 105 105 LEU HA H 627 4.387 4.431 -0.044 1
1 1283 . 8 1 1 A 105 105 LEU CA C 627 55.025 55.462 -0.437 1
1 1284 . 8 1 1 A 105 105 LEU CB C 627 42.360 42.679 -0.319 1
1 1288 . 8 1 1 A 105 105 LEU N N 627 125.064 122.980 2.084 1
1 1289 . 8 1 1 A 106 106 LYS H H 628 9.724 9.032 0.692 1
1 1290 . 8 1 1 A 106 106 LYS HA H 628 4.244 4.468 -0.224 1
1 1299 . 8 1 1 A 106 106 LYS CA C 628 54.781 56.379 -1.598 1
1 1300 . 8 1 1 A 106 106 LYS CB C 628 33.456 33.998 -0.542 1
1 1304 . 8 1 1 A 106 106 LYS N N 628 128.616 124.134 4.482 1
1 1305 . 8 1 1 A 107 107 ALA H H 629 6.593 7.618 -1.025 1
1 1306 . 8 1 1 A 107 107 ALA HA H 629 4.420 4.367 0.053 1
1 1310 . 8 1 1 A 107 107 ALA CA C 629 50.003 50.862 -0.859 1
1 1311 . 8 1 1 A 107 107 ALA CB C 629 17.219 18.460 -1.241 1
1 1312 . 8 1 1 A 107 107 ALA N N 629 124.084 122.397 1.687 1
1 1313 . 8 1 1 A 108 108 PRO HA H 630 4.302 4.611 -0.309 1
1 1320 . 8 1 1 A 108 108 PRO CA C 630 62.816 62.673 0.143 1
1 1321 . 8 1 1 A 108 108 PRO CB C 630 31.743 32.687 -0.944 1
1 1324 . 8 1 1 A 109 109 ALA H H 631 7.898 8.231 -0.333 1
1 1325 . 8 1 1 A 109 109 ALA HA H 631 5.092 4.882 0.210 1
1 1329 . 8 1 1 A 109 109 ALA CA C 631 50.966 50.982 -0.016 1
1 1330 . 8 1 1 A 109 109 ALA CB C 631 22.217 23.024 -0.807 1
1 1331 . 8 1 1 A 109 109 ALA N N 631 122.466 120.968 1.498 1
1 1332 . 8 1 1 A 110 110 VAL H H 632 8.071 8.742 -0.671 1
1 1333 . 8 1 1 A 110 110 VAL HA H 632 4.167 4.380 -0.213 1
1 1341 . 8 1 1 A 110 110 VAL CA C 632 61.685 62.407 -0.722 1
1 1342 . 8 1 1 A 110 110 VAL CB C 632 32.856 31.465 1.391 1
1 1345 . 8 1 1 A 110 110 VAL N N 632 125.531 122.210 3.321 1
1 1346 . 8 1 1 A 111 111 VAL H H 633 8.182 8.225 -0.043 1
1 1347 . 8 1 1 A 111 111 VAL HA H 633 4.731 4.885 -0.154 1
1 1355 . 8 1 1 A 111 111 VAL CA C 633 59.473 61.189 -1.716 1
1 1356 . 8 1 1 A 111 111 VAL CB C 633 32.919 34.019 -1.100 1
1 1359 . 8 1 1 A 111 111 VAL N N 633 128.148 128.456 -0.308 1
1 1360 . 8 1 1 A 112 112 SER H H 634 8.591 8.629 -0.038 1
1 1361 . 8 1 1 A 112 112 SER HA H 634 4.920 5.364 -0.444 1
1 1364 . 8 1 1 A 112 112 SER CA C 634 53.905 56.756 -2.851 1
1 1365 . 8 1 1 A 112 112 SER CB C 634 64.651 65.847 -1.196 1
1 1366 . 8 1 1 A 112 112 SER N N 634 119.276 120.054 -0.778 1
1 1367 . 8 1 1 A 113 113 VAL H H 635 8.503 8.251 0.252 1
1 1368 . 8 1 1 A 113 113 VAL HA H 635 4.522 4.667 -0.145 1
1 1376 . 8 1 1 A 113 113 VAL CA C 635 59.398 58.869 0.529 1
1 1377 . 8 1 1 A 113 113 VAL CB C 635 32.548 35.038 -2.490 1
1 1380 . 8 1 1 A 113 113 VAL N N 635 118.886 119.531 -0.645 1
1 1381 . 8 1 1 A 114 114 SER H H 636 8.263 8.747 -0.484 1
1 1382 . 8 1 1 A 114 114 SER HA H 636 3.940 4.441 -0.501 1
1 1385 . 8 1 1 A 114 114 SER CA C 636 61.597 60.221 1.376 1
1 1386 . 8 1 1 A 114 114 SER CB C 636 63.321 64.302 -0.981 1
1 1387 . 8 1 1 A 114 114 SER N N 636 112.710 117.495 -4.785 1
1 1388 . 8 1 1 A 115 115 SER H H 637 7.269 7.505 -0.236 1
1 1389 . 8 1 1 A 115 115 SER HA H 637 4.956 4.985 -0.029 1
1 1392 . 8 1 1 A 115 115 SER CA C 637 55.674 55.865 -0.191 1
1 1393 . 8 1 1 A 115 115 SER CB C 637 64.074 65.479 -1.405 1
1 1394 . 8 1 1 A 115 115 SER N N 637 114.537 111.735 2.802 1
1 1395 . 8 1 1 A 116 116 PRO HA H 638 4.186 4.309 -0.123 1
1 1402 . 8 1 1 A 116 116 PRO CA C 638 65.021 64.800 0.221 1
1 1403 . 8 1 1 A 116 116 PRO CB C 638 31.908 32.057 -0.149 1
1 1406 . 8 1 1 A 117 117 ASP H H 639 8.161 8.263 -0.102 1
1 1407 . 8 1 1 A 117 117 ASP HA H 639 4.359 4.361 -0.002 1
1 1410 . 8 1 1 A 117 117 ASP CA C 639 55.928 57.391 -1.463 1
1 1411 . 8 1 1 A 117 117 ASP CB C 639 40.088 40.309 -0.221 1
1 1412 . 8 1 1 A 117 117 ASP N N 639 116.310 117.620 -1.310 1
1 1413 . 8 1 1 A 118 118 ALA H H 640 7.596 7.455 0.141 1
1 1414 . 8 1 1 A 118 118 ALA HA H 640 4.225 4.090 0.135 1
1 1418 . 8 1 1 A 118 118 ALA CA C 640 52.964 54.816 -1.852 1
1 1419 . 8 1 1 A 118 118 ALA CB C 640 18.334 18.305 0.029 1
1 1420 . 8 1 1 A 118 118 ALA N N 640 121.066 123.032 -1.966 1
1 1421 . 8 1 1 A 119 119 VAL H H 641 7.280 7.639 -0.359 1
1 1422 . 8 1 1 A 119 119 VAL HA H 641 3.221 3.481 -0.260 1
1 1430 . 8 1 1 A 119 119 VAL CA C 641 66.608 66.892 -0.284 1
1 1431 . 8 1 1 A 119 119 VAL CB C 641 31.436 31.404 0.032 1
1 1434 . 8 1 1 A 119 119 VAL N N 641 120.886 119.201 1.685 1
1 1435 . 8 1 1 A 120 120 THR H H 642 7.475 7.734 -0.259 1
1 1436 . 8 1 1 A 120 120 THR HA H 642 3.840 3.890 -0.050 1
1 1441 . 8 1 1 A 120 120 THR CA C 642 65.297 65.981 -0.684 1
1 1442 . 8 1 1 A 120 120 THR CB C 642 68.042 68.393 -0.351 1
1 1444 . 8 1 1 A 120 120 THR N N 642 112.821 114.811 -1.990 1
1 1445 . 8 1 1 A 121 121 THR H H 643 7.328 7.956 -0.628 1
1 1446 . 8 1 1 A 121 121 THR HA H 643 3.477 3.688 -0.211 1
1 1451 . 8 1 1 A 121 121 THR CA C 643 65.341 66.434 -1.093 1
1 1452 . 8 1 1 A 121 121 THR CB C 643 68.196 68.480 -0.284 1
1 1454 . 8 1 1 A 121 121 THR N N 643 119.194 117.463 1.731 1
1 1455 . 8 1 1 A 122 122 TYR H H 644 8.766 8.279 0.487 1
1 1456 . 8 1 1 A 122 122 TYR HA H 644 3.764 3.998 -0.234 1
1 1463 . 8 1 1 A 122 122 TYR CA C 644 62.340 61.848 0.492 1
1 1464 . 8 1 1 A 122 122 TYR CB C 644 39.106 38.602 0.504 1
1 1467 . 8 1 1 A 122 122 TYR N N 644 122.838 121.028 1.810 1
1 1468 . 8 1 1 A 123 123 ASN H H 645 8.290 8.471 -0.181 1
1 1469 . 8 1 1 A 123 123 ASN HA H 645 4.299 4.394 -0.095 1
1 1474 . 8 1 1 A 123 123 ASN CA C 645 55.018 55.792 -0.774 1
1 1475 . 8 1 1 A 123 123 ASN CB C 645 36.967 38.057 -1.090 1
1 1476 . 8 1 1 A 123 123 ASN N N 645 116.356 117.894 -1.538 1
1 1478 . 8 1 1 A 124 124 GLY H H 646 7.768 8.103 -0.335 1
1 1479 . 8 1 1 A 124 124 GLY HA2 H 646 3.639 3.476 0.163 1
1 1480 . 8 1 1 A 124 124 GLY HA3 H 646 3.707 3.599 0.108 1
1 1481 . 8 1 1 A 124 124 GLY CA C 646 46.521 47.099 -0.578 1
1 1482 . 8 1 1 A 124 124 GLY N N 646 108.260 108.577 -0.317 1
1 1483 . 8 1 1 A 125 125 TYR H H 647 7.386 7.319 0.067 1
1 1484 . 8 1 1 A 125 125 TYR HA H 647 4.608 4.573 0.035 1
1 1491 . 8 1 1 A 125 125 TYR CA C 647 57.204 59.814 -2.610 1
1 1492 . 8 1 1 A 125 125 TYR CB C 647 37.557 37.778 -0.221 1
1 1495 . 8 1 1 A 125 125 TYR N N 647 120.587 121.482 -0.895 1
1 1496 . 8 1 1 A 126 126 LEU H H 648 7.802 8.130 -0.328 1
1 1497 . 8 1 1 A 126 126 LEU HA H 648 3.801 3.912 -0.111 1
1 1507 . 8 1 1 A 126 126 LEU CA C 648 56.663 57.523 -0.860 1
1 1508 . 8 1 1 A 126 126 LEU CB C 648 42.298 41.634 0.664 1
1 1512 . 8 1 1 A 126 126 LEU N N 648 119.234 119.441 -0.207 1
1 1513 . 8 1 1 A 127 127 THR H H 649 7.473 7.703 -0.230 1
1 1514 . 8 1 1 A 127 127 THR HA H 649 4.238 4.504 -0.266 1
1 1519 . 8 1 1 A 127 127 THR CA C 649 61.868 62.471 -0.603 1
1 1520 . 8 1 1 A 127 127 THR CB C 649 69.451 69.860 -0.409 1
1 1522 . 8 1 1 A 127 127 THR N N 649 108.633 105.264 3.369 1
1 1523 . 8 1 1 A 128 128 SER H H 650 7.696 7.739 -0.043 1
1 1524 . 8 1 1 A 128 128 SER HA H 650 4.439 4.739 -0.300 1
1 1527 . 8 1 1 A 128 128 SER CA C 650 58.451 58.166 0.285 1
1 1528 . 8 1 1 A 128 128 SER CB C 650 63.763 66.377 -2.614 1
1 1529 . 8 1 1 A 128 128 SER N N 650 117.667 114.828 2.839 1
1 1 . 9 1 1 A 2 2 SER HA H -3 4.607 5.011 -0.404 1
1 4 . 9 1 1 A 2 2 SER C C -3 174.489 173.235 1.254 1
1 5 . 9 1 1 A 2 2 SER CA C -3 56.994 55.758 1.236 1
1 6 . 9 1 1 A 2 2 SER CB C -3 64.641 66.477 -1.836 1
1 7 . 9 1 1 A 2 2 SER N N -3 115.970 119.199 -3.229 1
1 8 . 9 1 1 A 3 3 HIS H H -2 8.138 8.546 -0.408 1
1 9 . 9 1 1 A 3 3 HIS HA H -2 4.558 4.788 -0.230 1
1 13 . 9 1 1 A 3 3 HIS C C -2 176.502 175.117 1.385 1
1 14 . 9 1 1 A 3 3 HIS CA C -2 56.164 56.685 -0.521 1
1 15 . 9 1 1 A 3 3 HIS CB C -2 30.643 30.177 0.466 1
1 17 . 9 1 1 A 3 3 HIS N N -2 122.640 121.046 1.594 1
1 39 . 9 1 1 A 6 6 THR H H 528 7.755 8.630 -0.875 1
1 40 . 9 1 1 A 6 6 THR HA H 528 5.155 4.400 0.755 1
1 45 . 9 1 1 A 6 6 THR C C 528 174.544 174.325 0.219 1
1 46 . 9 1 1 A 6 6 THR CA C 528 60.657 63.027 -2.370 1
1 47 . 9 1 1 A 6 6 THR CB C 528 68.218 69.385 -1.167 1
1 49 . 9 1 1 A 6 6 THR N N 528 118.293 116.279 2.014 1
1 50 . 9 1 1 A 7 7 VAL H H 529 8.966 8.717 0.249 1
1 51 . 9 1 1 A 7 7 VAL HA H 529 4.240 4.740 -0.500 1
1 59 . 9 1 1 A 7 7 VAL C C 529 174.012 174.992 -0.980 1
1 60 . 9 1 1 A 7 7 VAL CA C 529 58.309 58.804 -0.495 1
1 61 . 9 1 1 A 7 7 VAL CB C 529 35.661 35.578 0.083 1
1 64 . 9 1 1 A 7 7 VAL N N 529 121.381 118.922 2.459 1
1 65 . 9 1 1 A 8 8 SER H H 530 8.193 8.185 0.008 1
1 66 . 9 1 1 A 8 8 SER HA H 530 4.825 4.729 0.096 1
1 69 . 9 1 1 A 8 8 SER C C 530 172.908 174.811 -1.903 1
1 70 . 9 1 1 A 8 8 SER CA C 530 55.790 57.468 -1.678 1
1 71 . 9 1 1 A 8 8 SER CB C 530 62.800 63.381 -0.581 1
1 72 . 9 1 1 A 8 8 SER N N 530 113.044 115.076 -2.032 1
1 73 . 9 1 1 A 9 9 TRP H H 531 7.595 7.571 0.024 1
1 74 . 9 1 1 A 9 9 TRP HA H 531 5.353 4.714 0.639 1
1 83 . 9 1 1 A 9 9 TRP C C 531 177.031 176.108 0.923 1
1 84 . 9 1 1 A 9 9 TRP CA C 531 51.902 57.414 -5.512 1
1 85 . 9 1 1 A 9 9 TRP CB C 531 32.848 29.921 2.927 1
1 91 . 9 1 1 A 9 9 TRP N N 531 124.627 124.175 0.452 1
1 93 . 9 1 1 A 10 10 ASN H H 532 9.312 8.642 0.670 1
1 94 . 9 1 1 A 10 10 ASN HA H 532 4.601 5.262 -0.661 1
1 99 . 9 1 1 A 10 10 ASN C C 532 175.214 175.918 -0.704 1
1 100 . 9 1 1 A 10 10 ASN CA C 532 51.428 51.267 0.161 1
1 101 . 9 1 1 A 10 10 ASN CB C 532 38.140 40.792 -2.652 1
1 102 . 9 1 1 A 10 10 ASN N N 532 121.842 116.950 4.892 1
1 104 . 9 1 1 A 11 11 LEU H H 533 8.503 8.800 -0.297 1
1 105 . 9 1 1 A 11 11 LEU HA H 533 4.086 4.104 -0.018 1
1 115 . 9 1 1 A 11 11 LEU C C 533 178.309 178.737 -0.428 1
1 116 . 9 1 1 A 11 11 LEU CA C 533 58.491 58.269 0.222 1
1 117 . 9 1 1 A 11 11 LEU CB C 533 41.525 41.456 0.069 1
1 121 . 9 1 1 A 11 11 LEU N N 533 119.723 120.632 -0.909 1
1 122 . 9 1 1 A 12 12 ARG H H 534 8.057 8.109 -0.052 1
1 123 . 9 1 1 A 12 12 ARG HA H 534 3.840 4.000 -0.160 1
1 130 . 9 1 1 A 12 12 ARG C C 534 179.597 179.302 0.295 1
1 131 . 9 1 1 A 12 12 ARG CA C 534 59.873 59.786 0.087 1
1 132 . 9 1 1 A 12 12 ARG CB C 534 29.076 30.198 -1.122 1
1 135 . 9 1 1 A 12 12 ARG N N 534 117.711 120.171 -2.460 1
1 136 . 9 1 1 A 13 13 GLU H H 535 8.342 8.277 0.065 1
1 137 . 9 1 1 A 13 13 GLU HA H 535 3.724 3.934 -0.210 1
1 142 . 9 1 1 A 13 13 GLU C C 535 179.948 179.595 0.353 1
1 143 . 9 1 1 A 13 13 GLU CA C 535 58.753 59.233 -0.480 1
1 144 . 9 1 1 A 13 13 GLU CB C 535 29.402 29.253 0.149 1
1 146 . 9 1 1 A 13 13 GLU N N 535 121.501 119.945 1.556 1
1 147 . 9 1 1 A 14 14 MET H H 536 8.684 8.437 0.247 1
1 148 . 9 1 1 A 14 14 MET HA H 536 3.945 4.393 -0.448 1
1 156 . 9 1 1 A 14 14 MET C C 536 177.364 178.565 -1.201 1
1 157 . 9 1 1 A 14 14 MET CA C 536 60.550 58.894 1.656 1
1 158 . 9 1 1 A 14 14 MET CB C 536 34.412 33.218 1.194 1
1 161 . 9 1 1 A 14 14 MET N N 536 120.565 119.666 0.899 1
1 162 . 9 1 1 A 15 15 LEU H H 537 8.731 8.439 0.292 1
1 163 . 9 1 1 A 15 15 LEU HA H 537 3.970 4.124 -0.154 1
1 173 . 9 1 1 A 15 15 LEU C C 537 178.544 178.106 0.438 1
1 174 . 9 1 1 A 15 15 LEU CA C 537 57.723 58.421 -0.698 1
1 175 . 9 1 1 A 15 15 LEU CB C 537 41.396 42.151 -0.755 1
1 179 . 9 1 1 A 15 15 LEU N N 537 118.710 121.213 -2.503 1
1 180 . 9 1 1 A 16 16 ALA H H 538 7.816 8.689 -0.873 1
1 181 . 9 1 1 A 16 16 ALA HA H 538 4.026 4.115 -0.089 1
1 185 . 9 1 1 A 16 16 ALA C C 538 180.374 179.766 0.608 1
1 186 . 9 1 1 A 16 16 ALA CA C 538 54.734 55.147 -0.413 1
1 187 . 9 1 1 A 16 16 ALA CB C 538 17.670 18.662 -0.992 1
1 188 . 9 1 1 A 16 16 ALA N N 538 120.155 120.437 -0.282 1
1 189 . 9 1 1 A 17 17 HIS H H 539 7.715 8.458 -0.743 1
1 190 . 9 1 1 A 17 17 HIS HA H 539 4.180 4.125 0.055 1
1 194 . 9 1 1 A 17 17 HIS C C 539 179.167 177.451 1.716 1
1 195 . 9 1 1 A 17 17 HIS CA C 539 59.392 59.697 -0.305 1
1 196 . 9 1 1 A 17 17 HIS CB C 539 29.094 29.506 -0.412 1
1 198 . 9 1 1 A 17 17 HIS N N 539 117.446 117.926 -0.480 1
1 199 . 9 1 1 A 18 18 ALA H H 540 8.995 8.429 0.566 1
1 200 . 9 1 1 A 18 18 ALA HA H 540 3.656 4.147 -0.491 1
1 204 . 9 1 1 A 18 18 ALA C C 540 180.803 179.703 1.100 1
1 205 . 9 1 1 A 18 18 ALA CA C 540 55.762 54.733 1.029 1
1 206 . 9 1 1 A 18 18 ALA CB C 540 18.380 18.113 0.267 1
1 207 . 9 1 1 A 18 18 ALA N N 540 124.222 121.162 3.060 1
1 208 . 9 1 1 A 19 19 GLU H H 541 8.840 8.208 0.632 1
1 209 . 9 1 1 A 19 19 GLU HA H 541 3.695 4.026 -0.331 1
1 214 . 9 1 1 A 19 19 GLU C C 541 178.479 178.994 -0.515 1
1 215 . 9 1 1 A 19 19 GLU CA C 541 59.695 59.468 0.227 1
1 216 . 9 1 1 A 19 19 GLU CB C 541 29.740 29.618 0.122 1
1 218 . 9 1 1 A 19 19 GLU N N 541 121.086 118.841 2.245 1
1 219 . 9 1 1 A 20 20 GLU H H 542 7.649 8.397 -0.748 1
1 220 . 9 1 1 A 20 20 GLU HA H 542 3.980 4.082 -0.102 1
1 225 . 9 1 1 A 20 20 GLU C C 542 178.212 176.251 1.961 1
1 226 . 9 1 1 A 20 20 GLU CA C 542 58.593 58.117 0.476 1
1 227 . 9 1 1 A 20 20 GLU CB C 542 30.293 29.577 0.716 1
1 229 . 9 1 1 A 20 20 GLU N N 542 117.027 119.204 -2.177 1
1 230 . 9 1 1 A 21 21 THR H H 543 7.588 7.483 0.105 1
1 231 . 9 1 1 A 21 21 THR HA H 543 4.105 4.606 -0.501 1
1 236 . 9 1 1 A 21 21 THR C C 543 175.320 173.575 1.745 1
1 237 . 9 1 1 A 21 21 THR CA C 543 62.110 60.579 1.531 1
1 238 . 9 1 1 A 21 21 THR CB C 543 70.747 69.693 1.054 1
1 240 . 9 1 1 A 21 21 THR N N 543 105.058 109.531 -4.473 1
1 241 . 9 1 1 A 22 22 ARG H H 544 7.678 8.256 -0.578 1
1 242 . 9 1 1 A 22 22 ARG HA H 544 3.925 4.450 -0.525 1
1 249 . 9 1 1 A 22 22 ARG C C 544 175.207 175.757 -0.550 1
1 250 . 9 1 1 A 22 22 ARG CA C 544 55.996 55.492 0.504 1
1 251 . 9 1 1 A 22 22 ARG CB C 544 24.959 31.445 -6.486 1
1 254 . 9 1 1 A 22 22 ARG N N 544 116.694 118.785 -2.091 1
1 255 . 9 1 1 A 23 23 LYS H H 545 6.931 7.122 -0.191 1
1 256 . 9 1 1 A 23 23 LYS HA H 545 4.169 4.260 -0.091 1
1 265 . 9 1 1 A 23 23 LYS C C 545 174.855 176.122 -1.267 1
1 266 . 9 1 1 A 23 23 LYS CA C 545 56.339 56.680 -0.341 1
1 267 . 9 1 1 A 23 23 LYS CB C 545 36.104 33.344 2.760 1
1 271 . 9 1 1 A 23 23 LYS N N 545 117.744 121.037 -3.293 1
1 272 . 9 1 1 A 24 24 LEU H H 546 7.898 8.143 -0.245 1
1 273 . 9 1 1 A 24 24 LEU HA H 546 4.487 4.756 -0.269 1
1 283 . 9 1 1 A 24 24 LEU C C 546 175.730 175.449 0.281 1
1 284 . 9 1 1 A 24 24 LEU CA C 546 54.171 54.010 0.161 1
1 285 . 9 1 1 A 24 24 LEU CB C 546 43.228 43.897 -0.669 1
1 289 . 9 1 1 A 24 24 LEU N N 546 122.692 124.020 -1.328 1
1 290 . 9 1 1 A 25 25 MET H H 547 8.767 8.817 -0.050 1
1 291 . 9 1 1 A 25 25 MET HA H 547 5.728 5.212 0.516 1
1 299 . 9 1 1 A 25 25 MET CA C 547 51.900 52.315 -0.415 1
1 300 . 9 1 1 A 25 25 MET CB C 547 34.876 34.300 0.576 1
1 303 . 9 1 1 A 25 25 MET N N 547 126.346 126.702 -0.356 1
1 304 . 9 1 1 A 26 26 PRO HA H 548 5.994 5.227 0.767 1
1 311 . 9 1 1 A 26 26 PRO C C 548 176.241 176.367 -0.126 1
1 312 . 9 1 1 A 26 26 PRO CA C 548 61.285 62.880 -1.595 1
1 313 . 9 1 1 A 26 26 PRO CB C 548 32.260 32.839 -0.579 1
1 316 . 9 1 1 A 27 27 ILE H H 549 9.054 8.889 0.165 1
1 317 . 9 1 1 A 27 27 ILE HA H 549 4.284 4.633 -0.349 1
1 327 . 9 1 1 A 27 27 ILE C C 549 173.407 174.622 -1.215 1
1 328 . 9 1 1 A 27 27 ILE CA C 549 57.503 59.491 -1.988 1
1 329 . 9 1 1 A 27 27 ILE CB C 549 41.581 41.874 -0.293 1
1 333 . 9 1 1 A 27 27 ILE N N 549 126.281 121.591 4.690 1
1 334 . 9 1 1 A 28 28 CYS H H 550 8.459 8.500 -0.041 1
1 335 . 9 1 1 A 28 28 CYS HA H 550 3.704 3.655 0.049 1
1 339 . 9 1 1 A 28 28 CYS C C 550 174.180 175.954 -1.774 1
1 340 . 9 1 1 A 28 28 CYS CA C 550 56.873 57.883 -1.010 1
1 341 . 9 1 1 A 28 28 CYS CB C 550 27.537 28.408 -0.871 1
1 342 . 9 1 1 A 28 28 CYS N N 550 125.844 125.658 0.186 1
1 343 . 9 1 1 A 29 29 MET H H 551 8.782 8.972 -0.190 1
1 344 . 9 1 1 A 29 29 MET HA H 551 4.637 4.205 0.432 1
1 352 . 9 1 1 A 29 29 MET C C 551 174.613 177.653 -3.040 1
1 353 . 9 1 1 A 29 29 MET CA C 551 56.871 56.874 -0.003 1
1 354 . 9 1 1 A 29 29 MET CB C 551 34.394 31.547 2.847 1
1 357 . 9 1 1 A 29 29 MET N N 551 127.467 127.276 0.191 1
1 358 . 9 1 1 A 30 30 ASP H H 552 7.308 7.822 -0.514 1
1 359 . 9 1 1 A 30 30 ASP HA H 552 4.562 4.313 0.249 1
1 362 . 9 1 1 A 30 30 ASP C C 552 175.386 176.432 -1.046 1
1 363 . 9 1 1 A 30 30 ASP CA C 552 54.371 56.252 -1.881 1
1 364 . 9 1 1 A 30 30 ASP CB C 552 41.751 40.879 0.872 1
1 365 . 9 1 1 A 30 30 ASP N N 552 117.209 120.373 -3.164 1
1 366 . 9 1 1 A 31 31 VAL H H 553 7.257 7.675 -0.418 1
1 367 . 9 1 1 A 31 31 VAL HA H 553 4.057 4.268 -0.211 1
1 375 . 9 1 1 A 31 31 VAL C C 553 175.729 176.775 -1.046 1
1 376 . 9 1 1 A 31 31 VAL CA C 553 61.834 61.885 -0.051 1
1 377 . 9 1 1 A 31 31 VAL CB C 553 30.034 29.659 0.375 1
1 380 . 9 1 1 A 31 31 VAL N N 553 120.645 117.872 2.773 1
1 381 . 9 1 1 A 32 32 ARG H H 554 8.412 8.290 0.122 1
1 382 . 9 1 1 A 32 32 ARG HA H 554 3.794 4.002 -0.208 1
1 389 . 9 1 1 A 32 32 ARG C C 554 178.819 177.978 0.841 1
1 390 . 9 1 1 A 32 32 ARG CA C 554 59.725 58.705 1.020 1
1 391 . 9 1 1 A 32 32 ARG CB C 554 29.537 29.683 -0.146 1
1 394 . 9 1 1 A 32 32 ARG N N 554 130.554 124.752 5.802 1
1 395 . 9 1 1 A 33 33 ALA H H 555 9.094 7.876 1.218 1
1 396 . 9 1 1 A 33 33 ALA HA H 555 4.081 4.081 0.000 1
1 400 . 9 1 1 A 33 33 ALA C C 555 180.716 180.502 0.214 1
1 401 . 9 1 1 A 33 33 ALA CA C 555 55.002 55.012 -0.010 1
1 402 . 9 1 1 A 33 33 ALA CB C 555 18.462 18.501 -0.039 1
1 403 . 9 1 1 A 33 33 ALA N N 555 119.862 121.701 -1.839 1
1 404 . 9 1 1 A 34 34 ILE H H 556 6.620 7.825 -1.205 1
1 405 . 9 1 1 A 34 34 ILE HA H 556 3.745 3.724 0.021 1
1 415 . 9 1 1 A 34 34 ILE C C 556 177.540 177.920 -0.380 1
1 416 . 9 1 1 A 34 34 ILE CA C 556 64.101 65.001 -0.900 1
1 417 . 9 1 1 A 34 34 ILE CB C 556 38.397 37.554 0.843 1
1 421 . 9 1 1 A 34 34 ILE N N 556 116.216 119.339 -3.123 1
1 422 . 9 1 1 A 35 35 MET H H 557 7.619 8.177 -0.558 1
1 423 . 9 1 1 A 35 35 MET HA H 557 4.249 4.126 0.123 1
1 431 . 9 1 1 A 35 35 MET C C 557 178.737 178.194 0.543 1
1 432 . 9 1 1 A 35 35 MET CA C 557 56.113 58.775 -2.662 1
1 433 . 9 1 1 A 35 35 MET CB C 557 29.490 32.155 -2.665 1
1 436 . 9 1 1 A 35 35 MET N N 557 118.017 118.275 -0.258 1
1 437 . 9 1 1 A 36 36 ALA H H 558 8.410 7.959 0.451 1
1 438 . 9 1 1 A 36 36 ALA HA H 558 4.084 4.027 0.057 1
1 442 . 9 1 1 A 36 36 ALA C C 558 180.632 179.574 1.058 1
1 443 . 9 1 1 A 36 36 ALA CA C 558 55.024 55.208 -0.184 1
1 444 . 9 1 1 A 36 36 ALA CB C 558 17.698 17.868 -0.170 1
1 445 . 9 1 1 A 36 36 ALA N N 558 121.592 121.091 0.501 1
1 446 . 9 1 1 A 37 37 THR H H 559 7.294 7.644 -0.350 1
1 447 . 9 1 1 A 37 37 THR HA H 559 3.858 3.930 -0.072 1
1 452 . 9 1 1 A 37 37 THR C C 559 176.419 177.095 -0.676 1
1 453 . 9 1 1 A 37 37 THR CA C 559 66.590 67.045 -0.455 1
1 454 . 9 1 1 A 37 37 THR CB C 559 68.001 68.162 -0.161 1
1 456 . 9 1 1 A 37 37 THR N N 559 115.835 115.097 0.738 1
1 457 . 9 1 1 A 38 38 ILE H H 560 8.109 8.050 0.059 1
1 458 . 9 1 1 A 38 38 ILE HA H 560 3.698 3.775 -0.077 1
1 468 . 9 1 1 A 38 38 ILE C C 560 176.934 178.087 -1.153 1
1 469 . 9 1 1 A 38 38 ILE CA C 560 65.952 65.305 0.647 1
1 470 . 9 1 1 A 38 38 ILE CB C 560 38.252 37.470 0.782 1
1 474 . 9 1 1 A 38 38 ILE N N 560 121.886 121.697 0.189 1
1 475 . 9 1 1 A 39 39 GLN H H 561 8.425 8.607 -0.182 1
1 476 . 9 1 1 A 39 39 GLN HA H 561 3.809 4.261 -0.452 1
1 483 . 9 1 1 A 39 39 GLN C C 561 177.126 178.692 -1.566 1
1 484 . 9 1 1 A 39 39 GLN CA C 561 58.751 59.165 -0.414 1
1 485 . 9 1 1 A 39 39 GLN CB C 561 29.255 28.185 1.070 1
1 487 . 9 1 1 A 39 39 GLN N N 561 116.211 118.328 -2.117 1
1 489 . 9 1 1 A 40 40 ARG H H 562 7.334 8.597 -1.263 1
1 490 . 9 1 1 A 40 40 ARG HA H 562 4.092 4.036 0.056 1
1 497 . 9 1 1 A 40 40 ARG C C 562 177.186 177.487 -0.301 1
1 498 . 9 1 1 A 40 40 ARG CA C 562 57.837 58.989 -1.152 1
1 499 . 9 1 1 A 40 40 ARG CB C 562 30.668 30.316 0.352 1
1 502 . 9 1 1 A 40 40 ARG N N 562 116.464 118.614 -2.150 1
1 503 . 9 1 1 A 41 41 LYS H H 563 7.802 7.659 0.143 1
1 504 . 9 1 1 A 41 41 LYS HA H 563 3.926 4.161 -0.235 1
1 513 . 9 1 1 A 41 41 LYS C C 563 176.735 176.174 0.561 1
1 514 . 9 1 1 A 41 41 LYS CA C 563 57.866 57.535 0.331 1
1 515 . 9 1 1 A 41 41 LYS CB C 563 33.314 32.825 0.489 1
1 519 . 9 1 1 A 41 41 LYS N N 563 118.658 119.398 -0.740 1
1 520 . 9 1 1 A 42 42 TYR H H 564 8.208 8.279 -0.071 1
1 521 . 9 1 1 A 42 42 TYR HA H 564 4.786 5.271 -0.485 1
1 528 . 9 1 1 A 42 42 TYR C C 564 174.346 176.122 -1.776 1
1 529 . 9 1 1 A 42 42 TYR CA C 564 55.497 55.875 -0.378 1
1 530 . 9 1 1 A 42 42 TYR CB C 564 36.075 38.426 -2.351 1
1 533 . 9 1 1 A 42 42 TYR N N 564 121.157 117.570 3.587 1
1 534 . 9 1 1 A 43 43 LYS H H 565 7.212 8.270 -1.058 1
1 535 . 9 1 1 A 43 43 LYS HA H 565 4.081 4.121 -0.040 1
1 544 . 9 1 1 A 43 43 LYS C C 565 179.082 178.725 0.357 1
1 545 . 9 1 1 A 43 43 LYS CA C 565 58.075 59.627 -1.552 1
1 546 . 9 1 1 A 43 43 LYS CB C 565 32.157 32.106 0.051 1
1 550 . 9 1 1 A 43 43 LYS N N 565 119.412 123.622 -4.210 1
1 551 . 9 1 1 A 44 44 GLY H H 566 9.179 8.120 1.059 1
1 552 . 9 1 1 A 44 44 GLY HA2 H 566 3.607 3.820 -0.213 1
1 553 . 9 1 1 A 44 44 GLY HA3 H 566 4.252 3.821 0.431 1
1 554 . 9 1 1 A 44 44 GLY C C 566 173.990 174.370 -0.380 1
1 555 . 9 1 1 A 44 44 GLY CA C 566 44.860 46.828 -1.968 1
1 556 . 9 1 1 A 44 44 GLY N N 566 114.958 106.402 8.556 1
1 557 . 9 1 1 A 45 45 ILE H H 567 7.604 7.226 0.378 1
1 558 . 9 1 1 A 45 45 ILE HA H 567 2.533 3.750 -1.217 1
1 568 . 9 1 1 A 45 45 ILE C C 567 172.893 174.955 -2.062 1
1 569 . 9 1 1 A 45 45 ILE CA C 567 61.754 61.280 0.474 1
1 570 . 9 1 1 A 45 45 ILE CB C 567 38.302 39.030 -0.728 1
1 574 . 9 1 1 A 45 45 ILE N N 567 122.496 121.553 0.943 1
1 575 . 9 1 1 A 46 46 LYS H H 568 7.733 8.235 -0.502 1
1 576 . 9 1 1 A 46 46 LYS HA H 568 4.307 4.390 -0.083 1
1 585 . 9 1 1 A 46 46 LYS C C 568 174.772 176.214 -1.442 1
1 586 . 9 1 1 A 46 46 LYS CA C 568 54.069 55.938 -1.869 1
1 587 . 9 1 1 A 46 46 LYS CB C 568 31.741 32.811 -1.070 1
1 591 . 9 1 1 A 46 46 LYS N N 568 128.712 124.872 3.840 1
1 592 . 9 1 1 A 47 47 ILE H H 569 8.081 8.277 -0.196 1
1 593 . 9 1 1 A 47 47 ILE HA H 569 3.166 3.731 -0.565 1
1 603 . 9 1 1 A 47 47 ILE CA C 569 61.564 61.595 -0.031 1
1 604 . 9 1 1 A 47 47 ILE CB C 569 36.718 37.589 -0.871 1
1 608 . 9 1 1 A 47 47 ILE N N 569 124.424 124.338 0.086 1
1 609 . 9 1 1 A 48 48 GLN H H 570 6.700 8.748 -2.048 1
1 610 . 9 1 1 A 48 48 GLN HA H 570 4.205 4.883 -0.678 1
1 617 . 9 1 1 A 48 48 GLN CA C 570 53.129 54.191 -1.062 1
1 618 . 9 1 1 A 48 48 GLN CB C 570 31.211 32.117 -0.906 1
1 620 . 9 1 1 A 48 48 GLN N N 570 122.748 126.777 -4.029 1
1 622 . 9 1 1 A 49 49 GLU H H 571 8.218 8.573 -0.355 1
1 623 . 9 1 1 A 49 49 GLU HA H 571 3.727 4.662 -0.935 1
1 628 . 9 1 1 A 49 49 GLU CA C 571 57.976 56.418 1.558 1
1 629 . 9 1 1 A 49 49 GLU CB C 571 30.954 28.346 2.608 1
1 631 . 9 1 1 A 49 49 GLU N N 571 116.531 123.161 -6.630 1
1 632 . 9 1 1 A 50 50 GLY H H 572 8.967 7.702 1.265 1
1 633 . 9 1 1 A 50 50 GLY HA2 H 572 2.810 4.081 -1.271 1
1 634 . 9 1 1 A 50 50 GLY HA3 H 572 4.198 4.225 -0.027 1
1 635 . 9 1 1 A 50 50 GLY CA C 572 43.607 45.677 -2.070 1
1 636 . 9 1 1 A 50 50 GLY N N 572 111.469 110.374 1.095 1
1 637 . 9 1 1 A 51 51 ILE H H 573 8.410 8.771 -0.361 1
1 638 . 9 1 1 A 51 51 ILE HA H 573 4.916 4.598 0.318 1
1 648 . 9 1 1 A 51 51 ILE CA C 573 61.137 62.290 -1.153 1
1 649 . 9 1 1 A 51 51 ILE CB C 573 38.165 38.080 0.085 1
1 653 . 9 1 1 A 51 51 ILE N N 573 120.591 122.372 -1.781 1
1 654 . 9 1 1 A 52 52 VAL H H 574 8.900 9.161 -0.261 1
1 655 . 9 1 1 A 52 52 VAL HA H 574 4.073 4.719 -0.646 1
1 663 . 9 1 1 A 52 52 VAL CA C 574 62.516 61.490 1.026 1
1 664 . 9 1 1 A 52 52 VAL CB C 574 35.957 33.888 2.069 1
1 667 . 9 1 1 A 52 52 VAL N N 574 131.435 129.332 2.103 1
1 668 . 9 1 1 A 53 53 ASP H H 575 8.731 9.186 -0.455 1
1 669 . 9 1 1 A 53 53 ASP HA H 575 4.953 4.921 0.032 1
1 672 . 9 1 1 A 53 53 ASP CA C 575 52.137 53.238 -1.101 1
1 673 . 9 1 1 A 53 53 ASP CB C 575 40.659 40.704 -0.045 1
1 674 . 9 1 1 A 53 53 ASP N N 575 126.463 129.270 -2.807 1
1 675 . 9 1 1 A 54 54 TYR H H 576 8.639 8.863 -0.224 1
1 676 . 9 1 1 A 54 54 TYR HA H 576 4.407 4.953 -0.546 1
1 683 . 9 1 1 A 54 54 TYR CA C 576 57.833 57.906 -0.073 1
1 684 . 9 1 1 A 54 54 TYR CB C 576 38.634 41.131 -2.497 1
1 687 . 9 1 1 A 54 54 TYR N N 576 131.097 126.584 4.513 1
1 688 . 9 1 1 A 55 55 GLY H H 577 8.388 8.916 -0.528 1
1 689 . 9 1 1 A 55 55 GLY HA2 H 577 3.056 3.907 -0.851 1
1 690 . 9 1 1 A 55 55 GLY HA3 H 577 4.307 4.057 0.250 1
1 691 . 9 1 1 A 55 55 GLY CA C 577 46.347 45.857 0.490 1
1 692 . 9 1 1 A 55 55 GLY N N 577 115.719 115.901 -0.182 1
1 693 . 9 1 1 A 56 56 VAL H H 578 7.143 7.925 -0.782 1
1 694 . 9 1 1 A 56 56 VAL HA H 578 3.410 4.490 -1.080 1
1 702 . 9 1 1 A 56 56 VAL CA C 578 60.335 59.871 0.464 1
1 703 . 9 1 1 A 56 56 VAL CB C 578 35.027 34.594 0.433 1
1 706 . 9 1 1 A 56 56 VAL N N 578 124.853 119.563 5.290 1
1 707 . 9 1 1 A 57 57 ARG H H 579 8.091 8.104 -0.013 1
1 708 . 9 1 1 A 57 57 ARG HA H 579 4.292 4.572 -0.280 1
1 715 . 9 1 1 A 57 57 ARG CA C 579 55.039 55.041 -0.002 1
1 716 . 9 1 1 A 57 57 ARG CB C 579 29.224 30.478 -1.254 1
1 719 . 9 1 1 A 57 57 ARG N N 579 124.754 123.151 1.603 1
1 720 . 9 1 1 A 58 58 PHE H H 580 8.499 9.200 -0.701 1
1 721 . 9 1 1 A 58 58 PHE HA H 580 4.647 5.289 -0.642 1
1 729 . 9 1 1 A 58 58 PHE CA C 580 57.563 56.750 0.813 1
1 730 . 9 1 1 A 58 58 PHE CB C 580 42.026 41.551 0.475 1
1 734 . 9 1 1 A 58 58 PHE N N 580 124.105 123.948 0.157 1
1 735 . 9 1 1 A 59 59 PHE H H 581 7.683 8.625 -0.942 1
1 736 . 9 1 1 A 59 59 PHE HA H 581 4.689 5.309 -0.620 1
1 743 . 9 1 1 A 59 59 PHE CA C 581 56.662 56.344 0.318 1
1 744 . 9 1 1 A 59 59 PHE CB C 581 41.024 40.467 0.557 1
1 747 . 9 1 1 A 59 59 PHE N N 581 119.707 122.489 -2.782 1
1 748 . 9 1 1 A 60 60 PHE H H 582 8.898 8.368 0.530 1
1 749 . 9 1 1 A 60 60 PHE HA H 582 5.563 4.992 0.571 1
1 757 . 9 1 1 A 60 60 PHE CA C 582 57.615 58.025 -0.410 1
1 758 . 9 1 1 A 60 60 PHE CB C 582 39.539 40.234 -0.695 1
1 762 . 9 1 1 A 60 60 PHE N N 582 127.157 126.422 0.735 1
1 763 . 9 1 1 A 61 61 TYR H H 583 8.441 9.032 -0.591 1
1 764 . 9 1 1 A 61 61 TYR HA H 583 5.301 5.372 -0.071 1
1 771 . 9 1 1 A 61 61 TYR CA C 583 54.556 55.491 -0.935 1
1 772 . 9 1 1 A 61 61 TYR CB C 583 41.444 41.279 0.165 1
1 775 . 9 1 1 A 61 61 TYR N N 583 119.072 119.480 -0.408 1
1 776 . 9 1 1 A 62 62 THR H H 584 9.444 8.641 0.803 1
1 777 . 9 1 1 A 62 62 THR HA H 584 4.680 4.946 -0.266 1
1 782 . 9 1 1 A 62 62 THR CA C 584 59.784 59.763 0.021 1
1 783 . 9 1 1 A 62 62 THR CB C 584 71.274 71.332 -0.058 1
1 785 . 9 1 1 A 62 62 THR N N 584 113.469 112.948 0.521 1
1 786 . 9 1 1 A 63 63 SER H H 585 9.092 9.069 0.023 1
1 787 . 9 1 1 A 63 63 SER HA H 585 4.685 4.095 0.590 1
1 790 . 9 1 1 A 63 63 SER CA C 585 59.665 61.527 -1.862 1
1 791 . 9 1 1 A 63 63 SER CB C 585 62.835 62.191 0.644 1
1 792 . 9 1 1 A 63 63 SER N N 585 114.155 118.514 -4.359 1
1 793 . 9 1 1 A 64 64 LYS H H 586 7.484 7.793 -0.309 1
1 794 . 9 1 1 A 64 64 LYS HA H 586 4.074 4.262 -0.188 1
1 803 . 9 1 1 A 64 64 LYS CA C 586 55.960 58.409 -2.449 1
1 804 . 9 1 1 A 64 64 LYS CB C 586 32.662 32.742 -0.080 1
1 808 . 9 1 1 A 64 64 LYS N N 586 118.230 119.028 -0.798 1
1 809 . 9 1 1 A 65 65 GLU H H 587 7.194 7.525 -0.331 1
1 810 . 9 1 1 A 65 65 GLU HA H 587 4.584 4.540 0.044 1
1 815 . 9 1 1 A 65 65 GLU CA C 587 53.443 54.806 -1.363 1
1 816 . 9 1 1 A 65 65 GLU CB C 587 30.381 29.254 1.127 1
1 818 . 9 1 1 A 65 65 GLU N N 587 124.837 119.635 5.202 1
1 819 . 9 1 1 A 66 66 PRO HA H 588 4.506 4.603 -0.097 1
1 826 . 9 1 1 A 66 66 PRO CA C 588 62.620 63.145 -0.525 1
1 827 . 9 1 1 A 66 66 PRO CB C 588 32.368 32.377 -0.009 1
1 830 . 9 1 1 A 67 67 VAL H H 589 8.545 8.296 0.249 1
1 831 . 9 1 1 A 67 67 VAL HA H 589 3.136 3.315 -0.179 1
1 839 . 9 1 1 A 67 67 VAL CA C 589 66.588 66.595 -0.007 1
1 840 . 9 1 1 A 67 67 VAL CB C 589 30.979 31.328 -0.349 1
1 843 . 9 1 1 A 67 67 VAL N N 589 123.156 123.174 -0.018 1
1 844 . 9 1 1 A 68 68 ALA H H 590 8.700 8.498 0.202 1
1 845 . 9 1 1 A 68 68 ALA HA H 590 3.953 3.940 0.013 1
1 849 . 9 1 1 A 68 68 ALA CA C 590 54.867 55.617 -0.750 1
1 850 . 9 1 1 A 68 68 ALA CB C 590 18.134 18.611 -0.477 1
1 851 . 9 1 1 A 68 68 ALA N N 590 118.895 122.813 -3.918 1
1 852 . 9 1 1 A 69 69 SER H H 591 6.961 7.662 -0.701 1
1 853 . 9 1 1 A 69 69 SER HA H 591 4.195 4.220 -0.025 1
1 856 . 9 1 1 A 69 69 SER CA C 591 60.029 61.581 -1.552 1
1 857 . 9 1 1 A 69 69 SER CB C 591 62.045 63.061 -1.016 1
1 858 . 9 1 1 A 69 69 SER N N 591 111.445 112.598 -1.153 1
1 859 . 9 1 1 A 70 70 ILE H H 592 7.386 7.902 -0.516 1
1 860 . 9 1 1 A 70 70 ILE HA H 592 3.361 3.780 -0.419 1
1 870 . 9 1 1 A 70 70 ILE CA C 592 65.332 64.468 0.864 1
1 871 . 9 1 1 A 70 70 ILE CB C 592 38.427 37.147 1.280 1
1 875 . 9 1 1 A 70 70 ILE N N 592 122.407 120.655 1.752 1
1 876 . 9 1 1 A 71 71 ILE H H 593 8.332 8.170 0.162 1
1 877 . 9 1 1 A 71 71 ILE HA H 593 3.256 3.508 -0.252 1
1 887 . 9 1 1 A 71 71 ILE CA C 593 65.023 65.180 -0.157 1
1 888 . 9 1 1 A 71 71 ILE CB C 593 36.662 37.889 -1.227 1
1 892 . 9 1 1 A 71 71 ILE N N 593 117.779 122.216 -4.437 1
1 893 . 9 1 1 A 72 72 THR H H 594 7.834 7.841 -0.007 1
1 894 . 9 1 1 A 72 72 THR HA H 594 3.845 3.879 -0.034 1
1 899 . 9 1 1 A 72 72 THR CA C 594 67.376 66.476 0.900 1
1 900 . 9 1 1 A 72 72 THR CB C 594 68.291 68.477 -0.186 1
1 902 . 9 1 1 A 72 72 THR N N 594 117.154 115.102 2.052 1
1 903 . 9 1 1 A 73 73 LYS H H 595 7.803 7.778 0.025 1
1 904 . 9 1 1 A 73 73 LYS HA H 595 3.936 3.920 0.016 1
1 913 . 9 1 1 A 73 73 LYS CA C 595 59.853 59.453 0.400 1
1 914 . 9 1 1 A 73 73 LYS CB C 595 32.531 32.404 0.127 1
1 918 . 9 1 1 A 73 73 LYS N N 595 122.657 120.467 2.190 1
1 919 . 9 1 1 A 74 74 LEU H H 596 8.088 8.090 -0.002 1
1 920 . 9 1 1 A 74 74 LEU HA H 596 3.681 3.908 -0.227 1
1 930 . 9 1 1 A 74 74 LEU CA C 596 57.217 57.233 -0.016 1
1 931 . 9 1 1 A 74 74 LEU CB C 596 41.122 40.985 0.137 1
1 935 . 9 1 1 A 74 74 LEU N N 596 119.593 119.584 0.009 1
1 936 . 9 1 1 A 75 75 ASN H H 597 8.949 7.980 0.969 1
1 937 . 9 1 1 A 75 75 ASN HA H 597 4.471 4.477 -0.006 1
1 942 . 9 1 1 A 75 75 ASN CA C 597 54.735 55.705 -0.970 1
1 943 . 9 1 1 A 75 75 ASN CB C 597 37.074 38.070 -0.996 1
1 944 . 9 1 1 A 75 75 ASN N N 597 121.103 118.368 2.735 1
1 946 . 9 1 1 A 76 76 SER H H 598 7.927 8.064 -0.137 1
1 947 . 9 1 1 A 76 76 SER HA H 598 4.137 4.127 0.010 1
1 950 . 9 1 1 A 76 76 SER CA C 598 60.952 61.382 -0.430 1
1 951 . 9 1 1 A 76 76 SER CB C 598 62.516 62.465 0.051 1
1 952 . 9 1 1 A 76 76 SER N N 598 116.716 114.041 2.675 1
1 953 . 9 1 1 A 77 77 LEU H H 599 7.543 7.168 0.375 1
1 954 . 9 1 1 A 77 77 LEU HA H 599 3.974 3.880 0.094 1
1 964 . 9 1 1 A 77 77 LEU CA C 599 57.200 58.006 -0.806 1
1 965 . 9 1 1 A 77 77 LEU CB C 599 41.749 41.915 -0.166 1
1 969 . 9 1 1 A 77 77 LEU N N 599 121.292 122.353 -1.061 1
1 970 . 9 1 1 A 78 78 ASN H H 600 7.755 8.231 -0.476 1
1 971 . 9 1 1 A 78 78 ASN HA H 600 4.114 4.263 -0.149 1
1 976 . 9 1 1 A 78 78 ASN CA C 600 53.603 54.568 -0.965 1
1 977 . 9 1 1 A 78 78 ASN CB C 600 37.688 38.209 -0.521 1
1 978 . 9 1 1 A 78 78 ASN N N 600 113.272 117.585 -4.313 1
1 980 . 9 1 1 A 79 79 GLU H H 601 8.389 7.961 0.428 1
1 981 . 9 1 1 A 79 79 GLU HA H 601 4.675 4.463 0.212 1
1 986 . 9 1 1 A 79 79 GLU CA C 601 53.418 54.622 -1.204 1
1 987 . 9 1 1 A 79 79 GLU CB C 601 30.704 28.792 1.912 1
1 989 . 9 1 1 A 79 79 GLU N N 601 118.840 119.574 -0.734 1
1 990 . 9 1 1 A 80 80 PRO HA H 602 4.771 4.779 -0.008 1
1 997 . 9 1 1 A 80 80 PRO CA C 602 62.189 62.800 -0.611 1
1 998 . 9 1 1 A 80 80 PRO CB C 602 32.196 31.831 0.365 1
1 1001 . 9 1 1 A 81 81 LEU H H 603 8.539 8.860 -0.321 1
1 1002 . 9 1 1 A 81 81 LEU HA H 603 5.766 5.163 0.603 1
1 1012 . 9 1 1 A 81 81 LEU CA C 603 53.432 53.332 0.100 1
1 1013 . 9 1 1 A 81 81 LEU CB C 603 48.114 43.869 4.245 1
1 1017 . 9 1 1 A 81 81 LEU N N 603 118.455 123.613 -5.158 1
1 1018 . 9 1 1 A 82 82 VAL H H 604 8.322 8.376 -0.054 1
1 1019 . 9 1 1 A 82 82 VAL HA H 604 5.110 5.051 0.059 1
1 1027 . 9 1 1 A 82 82 VAL CA C 604 59.609 60.936 -1.327 1
1 1028 . 9 1 1 A 82 82 VAL CB C 604 34.100 34.950 -0.850 1
1 1031 . 9 1 1 A 82 82 VAL N N 604 121.259 118.722 2.537 1
1 1032 . 9 1 1 A 83 83 THR H H 605 8.570 8.880 -0.310 1
1 1033 . 9 1 1 A 83 83 THR HA H 605 5.107 4.755 0.352 1
1 1038 . 9 1 1 A 83 83 THR CA C 605 59.606 61.174 -1.568 1
1 1039 . 9 1 1 A 83 83 THR CB C 605 71.321 70.586 0.735 1
1 1041 . 9 1 1 A 83 83 THR N N 605 117.620 119.754 -2.134 1
1 1042 . 9 1 1 A 84 84 MET H H 606 8.288 8.862 -0.574 1
1 1043 . 9 1 1 A 84 84 MET HA H 606 5.310 4.639 0.671 1
1 1051 . 9 1 1 A 84 84 MET CA C 606 55.491 54.122 1.369 1
1 1052 . 9 1 1 A 84 84 MET CB C 606 31.549 33.326 -1.777 1
1 1055 . 9 1 1 A 84 84 MET N N 606 125.405 125.029 0.376 1
1 1056 . 9 1 1 A 85 85 PRO HA H 607 4.048 4.603 -0.555 1
1 1063 . 9 1 1 A 85 85 PRO CA C 607 63.608 63.058 0.550 1
1 1064 . 9 1 1 A 85 85 PRO CB C 607 31.291 31.828 -0.537 1
1 1067 . 9 1 1 A 86 86 ILE H H 608 8.326 8.584 -0.258 1
1 1068 . 9 1 1 A 86 86 ILE HA H 608 3.423 4.099 -0.676 1
1 1078 . 9 1 1 A 86 86 ILE CA C 608 63.457 64.290 -0.833 1
1 1079 . 9 1 1 A 86 86 ILE CB C 608 35.800 38.085 -2.285 1
1 1083 . 9 1 1 A 86 86 ILE N N 608 133.106 120.772 12.334 1
1 1084 . 9 1 1 A 87 87 GLY H H 609 8.549 8.023 0.526 1
1 1085 . 9 1 1 A 87 87 GLY HA2 H 609 3.448 3.639 -0.191 1
1 1086 . 9 1 1 A 87 87 GLY HA3 H 609 4.101 3.736 0.365 1
1 1087 . 9 1 1 A 87 87 GLY CA C 609 44.556 46.835 -2.279 1
1 1088 . 9 1 1 A 87 87 GLY N N 609 111.653 109.466 2.187 1
1 1089 . 9 1 1 A 88 88 TYR H H 610 7.224 8.195 -0.971 1
1 1090 . 9 1 1 A 88 88 TYR HA H 610 4.437 4.925 -0.488 1
1 1097 . 9 1 1 A 88 88 TYR CA C 610 57.670 56.690 0.980 1
1 1098 . 9 1 1 A 88 88 TYR CB C 610 38.604 40.538 -1.934 1
1 1101 . 9 1 1 A 88 88 TYR N N 610 121.537 123.624 -2.087 1
1 1102 . 9 1 1 A 89 89 VAL H H 611 8.953 8.018 0.935 1
1 1103 . 9 1 1 A 89 89 VAL HA H 611 3.065 3.630 -0.565 1
1 1111 . 9 1 1 A 89 89 VAL CA C 611 70.009 65.801 4.208 1
1 1112 . 9 1 1 A 89 89 VAL CB C 611 30.422 31.369 -0.947 1
1 1115 . 9 1 1 A 89 89 VAL N N 611 128.074 119.918 8.156 1
1 1116 . 9 1 1 A 90 90 THR H H 612 9.348 8.120 1.228 1
1 1117 . 9 1 1 A 90 90 THR HA H 612 3.810 4.092 -0.282 1
1 1122 . 9 1 1 A 90 90 THR CA C 612 64.727 65.672 -0.945 1
1 1123 . 9 1 1 A 90 90 THR CB C 612 68.005 67.976 0.029 1
1 1125 . 9 1 1 A 90 90 THR N N 612 117.972 114.216 3.756 1
1 1126 . 9 1 1 A 91 91 HIS H H 613 7.651 8.083 -0.432 1
1 1127 . 9 1 1 A 91 91 HIS HA H 613 4.685 4.497 0.188 1
1 1131 . 9 1 1 A 91 91 HIS CA C 613 55.419 55.879 -0.460 1
1 1132 . 9 1 1 A 91 91 HIS CB C 613 29.092 29.523 -0.431 1
1 1134 . 9 1 1 A 91 91 HIS N N 613 119.034 117.405 1.629 1
1 1135 . 9 1 1 A 92 92 GLY H H 614 7.655 8.128 -0.473 1
1 1136 . 9 1 1 A 92 92 GLY HA2 H 614 3.665 3.847 -0.182 1
1 1137 . 9 1 1 A 92 92 GLY HA3 H 614 4.095 3.906 0.189 1
1 1138 . 9 1 1 A 92 92 GLY CA C 614 45.035 46.097 -1.062 1
1 1139 . 9 1 1 A 92 92 GLY N N 614 106.031 108.758 -2.727 1
1 1140 . 9 1 1 A 93 93 PHE H H 615 6.716 8.360 -1.644 1
1 1141 . 9 1 1 A 93 93 PHE HA H 615 5.244 4.492 0.752 1
1 1149 . 9 1 1 A 93 93 PHE CA C 615 53.904 58.514 -4.610 1
1 1150 . 9 1 1 A 93 93 PHE CB C 615 38.587 39.881 -1.294 1
1 1154 . 9 1 1 A 93 93 PHE N N 615 116.220 119.399 -3.179 1
1 1155 . 9 1 1 A 94 94 ASN H H 616 9.141 8.552 0.589 1
1 1156 . 9 1 1 A 94 94 ASN HA H 616 4.956 4.910 0.046 1
1 1161 . 9 1 1 A 94 94 ASN CA C 616 51.278 53.112 -1.834 1
1 1162 . 9 1 1 A 94 94 ASN CB C 616 37.692 39.666 -1.974 1
1 1163 . 9 1 1 A 94 94 ASN N N 616 122.153 121.769 0.384 1
1 1165 . 9 1 1 A 95 95 LEU H H 617 8.684 8.951 -0.267 1
1 1166 . 9 1 1 A 95 95 LEU HA H 617 3.831 4.281 -0.450 1
1 1176 . 9 1 1 A 95 95 LEU CA C 617 58.457 58.549 -0.092 1
1 1177 . 9 1 1 A 95 95 LEU CB C 617 41.985 41.665 0.320 1
1 1181 . 9 1 1 A 95 95 LEU N N 617 119.153 126.268 -7.115 1
1 1182 . 9 1 1 A 96 96 GLU H H 618 7.747 8.004 -0.257 1
1 1183 . 9 1 1 A 96 96 GLU HA H 618 2.864 2.631 0.233 1
1 1188 . 9 1 1 A 96 96 GLU CA C 618 59.402 59.308 0.094 1
1 1189 . 9 1 1 A 96 96 GLU CB C 618 28.323 28.600 -0.277 1
1 1191 . 9 1 1 A 96 96 GLU N N 618 120.199 118.814 1.385 1
1 1192 . 9 1 1 A 97 97 GLU H H 619 8.503 7.930 0.573 1
1 1193 . 9 1 1 A 97 97 GLU HA H 619 3.497 3.860 -0.363 1
1 1198 . 9 1 1 A 97 97 GLU CA C 619 58.251 58.671 -0.420 1
1 1199 . 9 1 1 A 97 97 GLU CB C 619 29.073 29.496 -0.423 1
1 1201 . 9 1 1 A 97 97 GLU N N 619 118.988 118.402 0.586 1
1 1202 . 9 1 1 A 98 98 ALA H H 620 8.311 8.418 -0.107 1
1 1203 . 9 1 1 A 98 98 ALA HA H 620 4.211 4.588 -0.377 1
1 1207 . 9 1 1 A 98 98 ALA CA C 620 54.717 55.213 -0.496 1
1 1208 . 9 1 1 A 98 98 ALA CB C 620 18.635 18.298 0.337 1
1 1209 . 9 1 1 A 98 98 ALA N N 620 121.102 122.855 -1.753 1
1 1210 . 9 1 1 A 99 99 ALA H H 621 8.570 8.223 0.347 1
1 1211 . 9 1 1 A 99 99 ALA HA H 621 3.831 3.660 0.171 1
1 1215 . 9 1 1 A 99 99 ALA CA C 621 55.004 55.136 -0.132 1
1 1216 . 9 1 1 A 99 99 ALA CB C 621 18.548 17.835 0.713 1
1 1217 . 9 1 1 A 99 99 ALA N N 621 121.431 119.753 1.678 1
1 1218 . 9 1 1 A 100 100 ARG H H 622 7.646 7.876 -0.230 1
1 1219 . 9 1 1 A 100 100 ARG HA H 622 3.636 4.019 -0.383 1
1 1226 . 9 1 1 A 100 100 ARG CA C 622 59.556 59.742 -0.186 1
1 1227 . 9 1 1 A 100 100 ARG CB C 622 29.420 30.043 -0.623 1
1 1230 . 9 1 1 A 100 100 ARG N N 622 114.812 117.093 -2.281 1
1 1231 . 9 1 1 A 101 101 CYS H H 623 7.503 7.999 -0.496 1
1 1232 . 9 1 1 A 101 101 CYS HA H 623 4.081 4.134 -0.053 1
1 1235 . 9 1 1 A 101 101 CYS CA C 623 62.364 62.206 0.158 1
1 1236 . 9 1 1 A 101 101 CYS CB C 623 26.301 27.471 -1.170 1
1 1237 . 9 1 1 A 101 101 CYS N N 623 118.667 119.284 -0.617 1
1 1238 . 9 1 1 A 102 102 MET H H 624 8.332 8.768 -0.436 1
1 1239 . 9 1 1 A 102 102 MET HA H 624 4.165 4.164 0.001 1
1 1247 . 9 1 1 A 102 102 MET CA C 624 55.808 58.261 -2.453 1
1 1248 . 9 1 1 A 102 102 MET CB C 624 30.500 31.349 -0.849 1
1 1251 . 9 1 1 A 102 102 MET N N 624 119.480 119.634 -0.154 1
1 1252 . 9 1 1 A 103 103 ARG H H 625 7.505 7.562 -0.057 1
1 1253 . 9 1 1 A 103 103 ARG HA H 625 4.022 4.267 -0.245 1
1 1260 . 9 1 1 A 103 103 ARG CA C 625 58.658 58.853 -0.195 1
1 1261 . 9 1 1 A 103 103 ARG CB C 625 30.413 30.019 0.394 1
1 1264 . 9 1 1 A 103 103 ARG N N 625 120.614 118.424 2.190 1
1 1265 . 9 1 1 A 104 104 SER H H 626 7.635 7.941 -0.306 1
1 1266 . 9 1 1 A 104 104 SER HA H 626 4.278 4.501 -0.223 1
1 1269 . 9 1 1 A 104 104 SER CA C 626 58.925 58.896 0.029 1
1 1270 . 9 1 1 A 104 104 SER CB C 626 63.785 63.170 0.615 1
1 1271 . 9 1 1 A 104 104 SER N N 626 111.144 112.876 -1.732 1
1 1272 . 9 1 1 A 105 105 LEU H H 627 7.602 7.602 0.000 1
1 1273 . 9 1 1 A 105 105 LEU HA H 627 4.387 4.652 -0.265 1
1 1283 . 9 1 1 A 105 105 LEU CA C 627 55.025 55.364 -0.339 1
1 1284 . 9 1 1 A 105 105 LEU CB C 627 42.360 42.854 -0.494 1
1 1288 . 9 1 1 A 105 105 LEU N N 627 125.064 123.182 1.882 1
1 1289 . 9 1 1 A 106 106 LYS H H 628 9.724 8.934 0.790 1
1 1290 . 9 1 1 A 106 106 LYS HA H 628 4.244 4.467 -0.223 1
1 1299 . 9 1 1 A 106 106 LYS CA C 628 54.781 56.083 -1.302 1
1 1300 . 9 1 1 A 106 106 LYS CB C 628 33.456 33.944 -0.488 1
1 1304 . 9 1 1 A 106 106 LYS N N 628 128.616 123.879 4.737 1
1 1305 . 9 1 1 A 107 107 ALA H H 629 6.593 7.578 -0.985 1
1 1306 . 9 1 1 A 107 107 ALA HA H 629 4.420 4.388 0.032 1
1 1310 . 9 1 1 A 107 107 ALA CA C 629 50.003 50.928 -0.925 1
1 1311 . 9 1 1 A 107 107 ALA CB C 629 17.219 18.351 -1.132 1
1 1312 . 9 1 1 A 107 107 ALA N N 629 124.084 122.791 1.293 1
1 1313 . 9 1 1 A 108 108 PRO HA H 630 4.302 4.552 -0.250 1
1 1320 . 9 1 1 A 108 108 PRO CA C 630 62.816 62.867 -0.051 1
1 1321 . 9 1 1 A 108 108 PRO CB C 630 31.743 32.406 -0.663 1
1 1324 . 9 1 1 A 109 109 ALA H H 631 7.898 8.293 -0.395 1
1 1325 . 9 1 1 A 109 109 ALA HA H 631 5.092 4.818 0.274 1
1 1329 . 9 1 1 A 109 109 ALA CA C 631 50.966 51.174 -0.208 1
1 1330 . 9 1 1 A 109 109 ALA CB C 631 22.217 23.258 -1.041 1
1 1331 . 9 1 1 A 109 109 ALA N N 631 122.466 121.697 0.769 1
1 1332 . 9 1 1 A 110 110 VAL H H 632 8.071 8.687 -0.616 1
1 1333 . 9 1 1 A 110 110 VAL HA H 632 4.167 4.619 -0.452 1
1 1341 . 9 1 1 A 110 110 VAL CA C 632 61.685 61.473 0.212 1
1 1342 . 9 1 1 A 110 110 VAL CB C 632 32.856 32.203 0.653 1
1 1345 . 9 1 1 A 110 110 VAL N N 632 125.531 120.842 4.689 1
1 1346 . 9 1 1 A 111 111 VAL H H 633 8.182 8.662 -0.480 1
1 1347 . 9 1 1 A 111 111 VAL HA H 633 4.731 4.850 -0.119 1
1 1355 . 9 1 1 A 111 111 VAL CA C 633 59.473 60.302 -0.829 1
1 1356 . 9 1 1 A 111 111 VAL CB C 633 32.919 32.629 0.290 1
1 1359 . 9 1 1 A 111 111 VAL N N 633 128.148 128.843 -0.695 1
1 1360 . 9 1 1 A 112 112 SER H H 634 8.591 8.629 -0.038 1
1 1361 . 9 1 1 A 112 112 SER HA H 634 4.920 4.615 0.305 1
1 1364 . 9 1 1 A 112 112 SER CA C 634 53.905 57.196 -3.291 1
1 1365 . 9 1 1 A 112 112 SER CB C 634 64.651 63.452 1.199 1
1 1366 . 9 1 1 A 112 112 SER N N 634 119.276 122.245 -2.969 1
1 1367 . 9 1 1 A 113 113 VAL H H 635 8.503 8.385 0.118 1
1 1368 . 9 1 1 A 113 113 VAL HA H 635 4.522 4.293 0.229 1
1 1376 . 9 1 1 A 113 113 VAL CA C 635 59.398 60.512 -1.114 1
1 1377 . 9 1 1 A 113 113 VAL CB C 635 32.548 34.040 -1.492 1
1 1380 . 9 1 1 A 113 113 VAL N N 635 118.886 124.529 -5.643 1
1 1381 . 9 1 1 A 114 114 SER H H 636 8.263 8.658 -0.395 1
1 1382 . 9 1 1 A 114 114 SER HA H 636 3.940 4.349 -0.409 1
1 1385 . 9 1 1 A 114 114 SER CA C 636 61.597 59.998 1.599 1
1 1386 . 9 1 1 A 114 114 SER CB C 636 63.321 63.567 -0.246 1
1 1387 . 9 1 1 A 114 114 SER N N 636 112.710 116.999 -4.289 1
1 1388 . 9 1 1 A 115 115 SER H H 637 7.269 8.021 -0.752 1
1 1389 . 9 1 1 A 115 115 SER HA H 637 4.956 4.937 0.019 1
1 1392 . 9 1 1 A 115 115 SER CA C 637 55.674 55.874 -0.200 1
1 1393 . 9 1 1 A 115 115 SER CB C 637 64.074 65.987 -1.913 1
1 1394 . 9 1 1 A 115 115 SER N N 637 114.537 115.667 -1.130 1
1 1395 . 9 1 1 A 116 116 PRO HA H 638 4.186 4.292 -0.106 1
1 1402 . 9 1 1 A 116 116 PRO CA C 638 65.021 65.132 -0.111 1
1 1403 . 9 1 1 A 116 116 PRO CB C 638 31.908 31.778 0.130 1
1 1406 . 9 1 1 A 117 117 ASP H H 639 8.161 8.415 -0.254 1
1 1407 . 9 1 1 A 117 117 ASP HA H 639 4.359 4.388 -0.029 1
1 1410 . 9 1 1 A 117 117 ASP CA C 639 55.928 57.090 -1.162 1
1 1411 . 9 1 1 A 117 117 ASP CB C 639 40.088 40.630 -0.542 1
1 1412 . 9 1 1 A 117 117 ASP N N 639 116.310 117.094 -0.784 1
1 1413 . 9 1 1 A 118 118 ALA H H 640 7.596 7.746 -0.150 1
1 1414 . 9 1 1 A 118 118 ALA HA H 640 4.225 4.150 0.075 1
1 1418 . 9 1 1 A 118 118 ALA CA C 640 52.964 54.592 -1.628 1
1 1419 . 9 1 1 A 118 118 ALA CB C 640 18.334 18.453 -0.119 1
1 1420 . 9 1 1 A 118 118 ALA N N 640 121.066 122.756 -1.690 1
1 1421 . 9 1 1 A 119 119 VAL H H 641 7.280 7.792 -0.512 1
1 1422 . 9 1 1 A 119 119 VAL HA H 641 3.221 3.514 -0.293 1
1 1430 . 9 1 1 A 119 119 VAL CA C 641 66.608 67.073 -0.465 1
1 1431 . 9 1 1 A 119 119 VAL CB C 641 31.436 31.576 -0.140 1
1 1434 . 9 1 1 A 119 119 VAL N N 641 120.886 119.771 1.115 1
1 1435 . 9 1 1 A 120 120 THR H H 642 7.475 7.645 -0.170 1
1 1436 . 9 1 1 A 120 120 THR HA H 642 3.840 3.904 -0.064 1
1 1441 . 9 1 1 A 120 120 THR CA C 642 65.297 66.158 -0.861 1
1 1442 . 9 1 1 A 120 120 THR CB C 642 68.042 68.886 -0.844 1
1 1444 . 9 1 1 A 120 120 THR N N 642 112.821 116.051 -3.230 1
1 1445 . 9 1 1 A 121 121 THR H H 643 7.328 7.761 -0.433 1
1 1446 . 9 1 1 A 121 121 THR HA H 643 3.477 3.704 -0.227 1
1 1451 . 9 1 1 A 121 121 THR CA C 643 65.341 66.598 -1.257 1
1 1452 . 9 1 1 A 121 121 THR CB C 643 68.196 68.388 -0.192 1
1 1454 . 9 1 1 A 121 121 THR N N 643 119.194 116.367 2.827 1
1 1455 . 9 1 1 A 122 122 TYR H H 644 8.766 8.499 0.267 1
1 1456 . 9 1 1 A 122 122 TYR HA H 644 3.764 4.326 -0.562 1
1 1463 . 9 1 1 A 122 122 TYR CA C 644 62.340 62.101 0.239 1
1 1464 . 9 1 1 A 122 122 TYR CB C 644 39.106 38.650 0.456 1
1 1467 . 9 1 1 A 122 122 TYR N N 644 122.838 121.414 1.424 1
1 1468 . 9 1 1 A 123 123 ASN H H 645 8.290 8.736 -0.446 1
1 1469 . 9 1 1 A 123 123 ASN HA H 645 4.299 4.487 -0.188 1
1 1474 . 9 1 1 A 123 123 ASN CA C 645 55.018 56.012 -0.994 1
1 1475 . 9 1 1 A 123 123 ASN CB C 645 36.967 38.095 -1.128 1
1 1476 . 9 1 1 A 123 123 ASN N N 645 116.356 118.131 -1.775 1
1 1478 . 9 1 1 A 124 124 GLY H H 646 7.768 8.161 -0.393 1
1 1479 . 9 1 1 A 124 124 GLY HA2 H 646 3.639 3.447 0.192 1
1 1480 . 9 1 1 A 124 124 GLY HA3 H 646 3.707 3.578 0.129 1
1 1481 . 9 1 1 A 124 124 GLY CA C 646 46.521 47.035 -0.514 1
1 1482 . 9 1 1 A 124 124 GLY N N 646 108.260 108.135 0.125 1
1 1483 . 9 1 1 A 125 125 TYR H H 647 7.386 7.654 -0.268 1
1 1484 . 9 1 1 A 125 125 TYR HA H 647 4.608 4.505 0.103 1
1 1491 . 9 1 1 A 125 125 TYR CA C 647 57.204 60.568 -3.364 1
1 1492 . 9 1 1 A 125 125 TYR CB C 647 37.557 37.343 0.214 1
1 1495 . 9 1 1 A 125 125 TYR N N 647 120.587 121.435 -0.848 1
1 1496 . 9 1 1 A 126 126 LEU H H 648 7.802 7.373 0.429 1
1 1497 . 9 1 1 A 126 126 LEU HA H 648 3.801 4.073 -0.272 1
1 1507 . 9 1 1 A 126 126 LEU CA C 648 56.663 57.097 -0.434 1
1 1508 . 9 1 1 A 126 126 LEU CB C 648 42.298 41.907 0.391 1
1 1512 . 9 1 1 A 126 126 LEU N N 648 119.234 120.640 -1.406 1
1 1513 . 9 1 1 A 127 127 THR H H 649 7.473 7.561 -0.088 1
1 1514 . 9 1 1 A 127 127 THR HA H 649 4.238 4.526 -0.288 1
1 1519 . 9 1 1 A 127 127 THR CA C 649 61.868 63.183 -1.315 1
1 1520 . 9 1 1 A 127 127 THR CB C 649 69.451 70.837 -1.386 1
1 1522 . 9 1 1 A 127 127 THR N N 649 108.633 112.867 -4.234 1
1 1523 . 9 1 1 A 128 128 SER H H 650 7.696 8.448 -0.752 1
1 1524 . 9 1 1 A 128 128 SER HA H 650 4.439 4.091 0.348 1
1 1527 . 9 1 1 A 128 128 SER CA C 650 58.451 59.297 -0.846 1
1 1528 . 9 1 1 A 128 128 SER CB C 650 63.763 61.663 2.100 1
1 1529 . 9 1 1 A 128 128 SER N N 650 117.667 115.659 2.008 1
1 1 . 10 1 1 A 2 2 SER HA H -3 4.607 4.671 -0.064 1
1 4 . 10 1 1 A 2 2 SER C C -3 174.489 174.008 0.481 1
1 5 . 10 1 1 A 2 2 SER CA C -3 56.994 58.585 -1.591 1
1 6 . 10 1 1 A 2 2 SER CB C -3 64.641 64.037 0.604 1
1 7 . 10 1 1 A 2 2 SER N N -3 115.970 121.087 -5.117 1
1 8 . 10 1 1 A 3 3 HIS H H -2 8.138 9.100 -0.962 1
1 9 . 10 1 1 A 3 3 HIS HA H -2 4.558 5.179 -0.621 1
1 13 . 10 1 1 A 3 3 HIS C C -2 176.502 174.139 2.363 1
1 14 . 10 1 1 A 3 3 HIS CA C -2 56.164 54.678 1.486 1
1 15 . 10 1 1 A 3 3 HIS CB C -2 30.643 34.824 -4.181 1
1 17 . 10 1 1 A 3 3 HIS N N -2 122.640 122.409 0.231 1
1 39 . 10 1 1 A 6 6 THR H H 528 7.755 8.678 -0.923 1
1 40 . 10 1 1 A 6 6 THR HA H 528 5.155 3.986 1.169 1
1 45 . 10 1 1 A 6 6 THR C C 528 174.544 174.178 0.366 1
1 46 . 10 1 1 A 6 6 THR CA C 528 60.657 63.482 -2.825 1
1 47 . 10 1 1 A 6 6 THR CB C 528 68.218 69.543 -1.325 1
1 49 . 10 1 1 A 6 6 THR N N 528 118.293 115.716 2.577 1
1 50 . 10 1 1 A 7 7 VAL H H 529 8.966 9.106 -0.140 1
1 51 . 10 1 1 A 7 7 VAL HA H 529 4.240 4.832 -0.592 1
1 59 . 10 1 1 A 7 7 VAL C C 529 174.012 174.364 -0.352 1
1 60 . 10 1 1 A 7 7 VAL CA C 529 58.309 58.711 -0.402 1
1 61 . 10 1 1 A 7 7 VAL CB C 529 35.661 35.615 0.046 1
1 64 . 10 1 1 A 7 7 VAL N N 529 121.381 120.532 0.849 1
1 65 . 10 1 1 A 8 8 SER H H 530 8.193 8.857 -0.664 1
1 66 . 10 1 1 A 8 8 SER HA H 530 4.825 5.128 -0.303 1
1 69 . 10 1 1 A 8 8 SER C C 530 172.908 172.914 -0.006 1
1 70 . 10 1 1 A 8 8 SER CA C 530 55.790 56.281 -0.491 1
1 71 . 10 1 1 A 8 8 SER CB C 530 62.800 63.423 -0.623 1
1 72 . 10 1 1 A 8 8 SER N N 530 113.044 115.977 -2.933 1
1 73 . 10 1 1 A 9 9 TRP H H 531 7.595 8.870 -1.275 1
1 74 . 10 1 1 A 9 9 TRP HA H 531 5.353 5.120 0.233 1
1 83 . 10 1 1 A 9 9 TRP C C 531 177.031 176.417 0.614 1
1 84 . 10 1 1 A 9 9 TRP CA C 531 51.902 55.526 -3.624 1
1 85 . 10 1 1 A 9 9 TRP CB C 531 32.848 31.657 1.191 1
1 91 . 10 1 1 A 9 9 TRP N N 531 124.627 126.234 -1.607 1
1 93 . 10 1 1 A 10 10 ASN H H 532 9.312 8.683 0.629 1
1 94 . 10 1 1 A 10 10 ASN HA H 532 4.601 5.126 -0.525 1
1 99 . 10 1 1 A 10 10 ASN C C 532 175.214 175.204 0.010 1
1 100 . 10 1 1 A 10 10 ASN CA C 532 51.428 52.296 -0.868 1
1 101 . 10 1 1 A 10 10 ASN CB C 532 38.140 39.419 -1.279 1
1 102 . 10 1 1 A 10 10 ASN N N 532 121.842 119.352 2.490 1
1 104 . 10 1 1 A 11 11 LEU H H 533 8.503 8.549 -0.046 1
1 105 . 10 1 1 A 11 11 LEU HA H 533 4.086 3.999 0.087 1
1 115 . 10 1 1 A 11 11 LEU C C 533 178.309 178.472 -0.163 1
1 116 . 10 1 1 A 11 11 LEU CA C 533 58.491 58.914 -0.423 1
1 117 . 10 1 1 A 11 11 LEU CB C 533 41.525 41.761 -0.236 1
1 121 . 10 1 1 A 11 11 LEU N N 533 119.723 120.774 -1.051 1
1 122 . 10 1 1 A 12 12 ARG H H 534 8.057 8.314 -0.257 1
1 123 . 10 1 1 A 12 12 ARG HA H 534 3.840 4.055 -0.215 1
1 130 . 10 1 1 A 12 12 ARG C C 534 179.597 179.072 0.525 1
1 131 . 10 1 1 A 12 12 ARG CA C 534 59.873 59.577 0.296 1
1 132 . 10 1 1 A 12 12 ARG CB C 534 29.076 29.799 -0.723 1
1 135 . 10 1 1 A 12 12 ARG N N 534 117.711 118.894 -1.183 1
1 136 . 10 1 1 A 13 13 GLU H H 535 8.342 7.998 0.344 1
1 137 . 10 1 1 A 13 13 GLU HA H 535 3.724 4.045 -0.321 1
1 142 . 10 1 1 A 13 13 GLU C C 535 179.948 179.458 0.490 1
1 143 . 10 1 1 A 13 13 GLU CA C 535 58.753 59.213 -0.460 1
1 144 . 10 1 1 A 13 13 GLU CB C 535 29.402 29.287 0.115 1
1 146 . 10 1 1 A 13 13 GLU N N 535 121.501 119.734 1.767 1
1 147 . 10 1 1 A 14 14 MET H H 536 8.684 8.196 0.488 1
1 148 . 10 1 1 A 14 14 MET HA H 536 3.945 4.428 -0.483 1
1 156 . 10 1 1 A 14 14 MET C C 536 177.364 179.121 -1.757 1
1 157 . 10 1 1 A 14 14 MET CA C 536 60.550 58.855 1.695 1
1 158 . 10 1 1 A 14 14 MET CB C 536 34.412 32.955 1.457 1
1 161 . 10 1 1 A 14 14 MET N N 536 120.565 119.900 0.665 1
1 162 . 10 1 1 A 15 15 LEU H H 537 8.731 8.317 0.414 1
1 163 . 10 1 1 A 15 15 LEU HA H 537 3.970 4.128 -0.158 1
1 173 . 10 1 1 A 15 15 LEU C C 537 178.544 178.640 -0.096 1
1 174 . 10 1 1 A 15 15 LEU CA C 537 57.723 58.611 -0.888 1
1 175 . 10 1 1 A 15 15 LEU CB C 537 41.396 42.277 -0.881 1
1 179 . 10 1 1 A 15 15 LEU N N 537 118.710 120.357 -1.647 1
1 180 . 10 1 1 A 16 16 ALA H H 538 7.816 8.347 -0.531 1
1 181 . 10 1 1 A 16 16 ALA HA H 538 4.026 4.144 -0.118 1
1 185 . 10 1 1 A 16 16 ALA C C 538 180.374 179.509 0.865 1
1 186 . 10 1 1 A 16 16 ALA CA C 538 54.734 55.079 -0.345 1
1 187 . 10 1 1 A 16 16 ALA CB C 538 17.670 18.113 -0.443 1
1 188 . 10 1 1 A 16 16 ALA N N 538 120.155 120.391 -0.236 1
1 189 . 10 1 1 A 17 17 HIS H H 539 7.715 8.225 -0.510 1
1 190 . 10 1 1 A 17 17 HIS HA H 539 4.180 4.182 -0.002 1
1 194 . 10 1 1 A 17 17 HIS C C 539 179.167 176.557 2.610 1
1 195 . 10 1 1 A 17 17 HIS CA C 539 59.392 59.740 -0.348 1
1 196 . 10 1 1 A 17 17 HIS CB C 539 29.094 29.706 -0.612 1
1 198 . 10 1 1 A 17 17 HIS N N 539 117.446 117.942 -0.496 1
1 199 . 10 1 1 A 18 18 ALA H H 540 8.995 8.688 0.307 1
1 200 . 10 1 1 A 18 18 ALA HA H 540 3.656 3.939 -0.283 1
1 204 . 10 1 1 A 18 18 ALA C C 540 180.803 179.753 1.050 1
1 205 . 10 1 1 A 18 18 ALA CA C 540 55.762 55.201 0.561 1
1 206 . 10 1 1 A 18 18 ALA CB C 540 18.380 18.001 0.379 1
1 207 . 10 1 1 A 18 18 ALA N N 540 124.222 120.954 3.268 1
1 208 . 10 1 1 A 19 19 GLU H H 541 8.840 7.817 1.023 1
1 209 . 10 1 1 A 19 19 GLU HA H 541 3.695 4.017 -0.322 1
1 214 . 10 1 1 A 19 19 GLU C C 541 178.479 178.527 -0.048 1
1 215 . 10 1 1 A 19 19 GLU CA C 541 59.695 59.168 0.527 1
1 216 . 10 1 1 A 19 19 GLU CB C 541 29.740 29.443 0.297 1
1 218 . 10 1 1 A 19 19 GLU N N 541 121.086 118.632 2.454 1
1 219 . 10 1 1 A 20 20 GLU H H 542 7.649 8.131 -0.482 1
1 220 . 10 1 1 A 20 20 GLU HA H 542 3.980 4.005 -0.025 1
1 225 . 10 1 1 A 20 20 GLU C C 542 178.212 179.073 -0.861 1
1 226 . 10 1 1 A 20 20 GLU CA C 542 58.593 58.944 -0.351 1
1 227 . 10 1 1 A 20 20 GLU CB C 542 30.293 29.405 0.888 1
1 229 . 10 1 1 A 20 20 GLU N N 542 117.027 120.025 -2.998 1
1 230 . 10 1 1 A 21 21 THR H H 543 7.588 8.065 -0.477 1
1 231 . 10 1 1 A 21 21 THR HA H 543 4.105 4.230 -0.125 1
1 236 . 10 1 1 A 21 21 THR C C 543 175.320 174.739 0.581 1
1 237 . 10 1 1 A 21 21 THR CA C 543 62.110 62.140 -0.030 1
1 238 . 10 1 1 A 21 21 THR CB C 543 70.747 69.035 1.712 1
1 240 . 10 1 1 A 21 21 THR N N 543 105.058 111.384 -6.326 1
1 241 . 10 1 1 A 22 22 ARG H H 544 7.678 7.775 -0.097 1
1 242 . 10 1 1 A 22 22 ARG HA H 544 3.925 4.080 -0.155 1
1 249 . 10 1 1 A 22 22 ARG C C 544 175.207 175.507 -0.300 1
1 250 . 10 1 1 A 22 22 ARG CA C 544 55.996 57.595 -1.599 1
1 251 . 10 1 1 A 22 22 ARG CB C 544 24.959 27.746 -2.787 1
1 254 . 10 1 1 A 22 22 ARG N N 544 116.694 116.002 0.692 1
1 255 . 10 1 1 A 23 23 LYS H H 545 6.931 7.361 -0.430 1
1 256 . 10 1 1 A 23 23 LYS HA H 545 4.169 4.236 -0.067 1
1 265 . 10 1 1 A 23 23 LYS C C 545 174.855 176.298 -1.443 1
1 266 . 10 1 1 A 23 23 LYS CA C 545 56.339 56.715 -0.376 1
1 267 . 10 1 1 A 23 23 LYS CB C 545 36.104 33.714 2.390 1
1 271 . 10 1 1 A 23 23 LYS N N 545 117.744 119.527 -1.783 1
1 272 . 10 1 1 A 24 24 LEU H H 546 7.898 7.792 0.106 1
1 273 . 10 1 1 A 24 24 LEU HA H 546 4.487 4.534 -0.047 1
1 283 . 10 1 1 A 24 24 LEU C C 546 175.730 175.303 0.427 1
1 284 . 10 1 1 A 24 24 LEU CA C 546 54.171 55.960 -1.789 1
1 285 . 10 1 1 A 24 24 LEU CB C 546 43.228 42.138 1.090 1
1 289 . 10 1 1 A 24 24 LEU N N 546 122.692 124.786 -2.094 1
1 290 . 10 1 1 A 25 25 MET H H 547 8.767 8.855 -0.088 1
1 291 . 10 1 1 A 25 25 MET HA H 547 5.728 5.196 0.532 1
1 299 . 10 1 1 A 25 25 MET CA C 547 51.900 52.352 -0.452 1
1 300 . 10 1 1 A 25 25 MET CB C 547 34.876 34.632 0.244 1
1 303 . 10 1 1 A 25 25 MET N N 547 126.346 126.393 -0.047 1
1 304 . 10 1 1 A 26 26 PRO HA H 548 5.994 5.169 0.825 1
1 311 . 10 1 1 A 26 26 PRO C C 548 176.241 175.984 0.257 1
1 312 . 10 1 1 A 26 26 PRO CA C 548 61.285 62.817 -1.532 1
1 313 . 10 1 1 A 26 26 PRO CB C 548 32.260 33.226 -0.966 1
1 316 . 10 1 1 A 27 27 ILE H H 549 9.054 8.651 0.403 1
1 317 . 10 1 1 A 27 27 ILE HA H 549 4.284 4.661 -0.377 1
1 327 . 10 1 1 A 27 27 ILE C C 549 173.407 175.116 -1.709 1
1 328 . 10 1 1 A 27 27 ILE CA C 549 57.503 59.907 -2.404 1
1 329 . 10 1 1 A 27 27 ILE CB C 549 41.581 41.268 0.313 1
1 333 . 10 1 1 A 27 27 ILE N N 549 126.281 121.043 5.238 1
1 334 . 10 1 1 A 28 28 CYS H H 550 8.459 8.735 -0.276 1
1 335 . 10 1 1 A 28 28 CYS HA H 550 3.704 3.573 0.131 1
1 339 . 10 1 1 A 28 28 CYS C C 550 174.180 175.803 -1.623 1
1 340 . 10 1 1 A 28 28 CYS CA C 550 56.873 59.250 -2.377 1
1 341 . 10 1 1 A 28 28 CYS CB C 550 27.537 28.359 -0.822 1
1 342 . 10 1 1 A 28 28 CYS N N 550 125.844 126.545 -0.701 1
1 343 . 10 1 1 A 29 29 MET H H 551 8.782 8.794 -0.012 1
1 344 . 10 1 1 A 29 29 MET HA H 551 4.637 4.057 0.580 1
1 352 . 10 1 1 A 29 29 MET C C 551 174.613 177.695 -3.082 1
1 353 . 10 1 1 A 29 29 MET CA C 551 56.871 57.824 -0.953 1
1 354 . 10 1 1 A 29 29 MET CB C 551 34.394 31.414 2.980 1
1 357 . 10 1 1 A 29 29 MET N N 551 127.467 127.282 0.185 1
1 358 . 10 1 1 A 30 30 ASP H H 552 7.308 8.176 -0.868 1
1 359 . 10 1 1 A 30 30 ASP HA H 552 4.562 4.293 0.269 1
1 362 . 10 1 1 A 30 30 ASP C C 552 175.386 176.926 -1.540 1
1 363 . 10 1 1 A 30 30 ASP CA C 552 54.371 57.344 -2.973 1
1 364 . 10 1 1 A 30 30 ASP CB C 552 41.751 41.327 0.424 1
1 365 . 10 1 1 A 30 30 ASP N N 552 117.209 120.696 -3.487 1
1 366 . 10 1 1 A 31 31 VAL H H 553 7.257 7.411 -0.154 1
1 367 . 10 1 1 A 31 31 VAL HA H 553 4.057 4.242 -0.185 1
1 375 . 10 1 1 A 31 31 VAL C C 553 175.729 175.698 0.031 1
1 376 . 10 1 1 A 31 31 VAL CA C 553 61.834 62.279 -0.445 1
1 377 . 10 1 1 A 31 31 VAL CB C 553 30.034 29.818 0.216 1
1 380 . 10 1 1 A 31 31 VAL N N 553 120.645 117.405 3.240 1
1 381 . 10 1 1 A 32 32 ARG H H 554 8.412 8.364 0.048 1
1 382 . 10 1 1 A 32 32 ARG HA H 554 3.794 4.019 -0.225 1
1 389 . 10 1 1 A 32 32 ARG C C 554 178.819 178.249 0.570 1
1 390 . 10 1 1 A 32 32 ARG CA C 554 59.725 59.613 0.112 1
1 391 . 10 1 1 A 32 32 ARG CB C 554 29.537 29.750 -0.213 1
1 394 . 10 1 1 A 32 32 ARG N N 554 130.554 127.665 2.889 1
1 395 . 10 1 1 A 33 33 ALA H H 555 9.094 7.875 1.219 1
1 396 . 10 1 1 A 33 33 ALA HA H 555 4.081 4.121 -0.040 1
1 400 . 10 1 1 A 33 33 ALA C C 555 180.716 179.456 1.260 1
1 401 . 10 1 1 A 33 33 ALA CA C 555 55.002 54.603 0.399 1
1 402 . 10 1 1 A 33 33 ALA CB C 555 18.462 18.224 0.238 1
1 403 . 10 1 1 A 33 33 ALA N N 555 119.862 121.189 -1.327 1
1 404 . 10 1 1 A 34 34 ILE H H 556 6.620 7.702 -1.082 1
1 405 . 10 1 1 A 34 34 ILE HA H 556 3.745 3.915 -0.170 1
1 415 . 10 1 1 A 34 34 ILE C C 556 177.540 177.890 -0.350 1
1 416 . 10 1 1 A 34 34 ILE CA C 556 64.101 64.447 -0.346 1
1 417 . 10 1 1 A 34 34 ILE CB C 556 38.397 37.842 0.555 1
1 421 . 10 1 1 A 34 34 ILE N N 556 116.216 118.113 -1.897 1
1 422 . 10 1 1 A 35 35 MET H H 557 7.619 8.440 -0.821 1
1 423 . 10 1 1 A 35 35 MET HA H 557 4.249 4.082 0.167 1
1 431 . 10 1 1 A 35 35 MET C C 557 178.737 178.777 -0.040 1
1 432 . 10 1 1 A 35 35 MET CA C 557 56.113 58.618 -2.505 1
1 433 . 10 1 1 A 35 35 MET CB C 557 29.490 32.163 -2.673 1
1 436 . 10 1 1 A 35 35 MET N N 557 118.017 118.471 -0.454 1
1 437 . 10 1 1 A 36 36 ALA H H 558 8.410 8.070 0.340 1
1 438 . 10 1 1 A 36 36 ALA HA H 558 4.084 4.046 0.038 1
1 442 . 10 1 1 A 36 36 ALA C C 558 180.632 179.824 0.808 1
1 443 . 10 1 1 A 36 36 ALA CA C 558 55.024 55.124 -0.100 1
1 444 . 10 1 1 A 36 36 ALA CB C 558 17.698 18.574 -0.876 1
1 445 . 10 1 1 A 36 36 ALA N N 558 121.592 121.653 -0.061 1
1 446 . 10 1 1 A 37 37 THR H H 559 7.294 8.157 -0.863 1
1 447 . 10 1 1 A 37 37 THR HA H 559 3.858 3.922 -0.064 1
1 452 . 10 1 1 A 37 37 THR C C 559 176.419 176.613 -0.194 1
1 453 . 10 1 1 A 37 37 THR CA C 559 66.590 67.260 -0.670 1
1 454 . 10 1 1 A 37 37 THR CB C 559 68.001 68.809 -0.808 1
1 456 . 10 1 1 A 37 37 THR N N 559 115.835 113.961 1.874 1
1 457 . 10 1 1 A 38 38 ILE H H 560 8.109 8.257 -0.148 1
1 458 . 10 1 1 A 38 38 ILE HA H 560 3.698 3.782 -0.084 1
1 468 . 10 1 1 A 38 38 ILE C C 560 176.934 178.840 -1.906 1
1 469 . 10 1 1 A 38 38 ILE CA C 560 65.952 65.655 0.297 1
1 470 . 10 1 1 A 38 38 ILE CB C 560 38.252 38.072 0.180 1
1 474 . 10 1 1 A 38 38 ILE N N 560 121.886 121.285 0.601 1
1 475 . 10 1 1 A 39 39 GLN H H 561 8.425 8.428 -0.003 1
1 476 . 10 1 1 A 39 39 GLN HA H 561 3.809 4.541 -0.732 1
1 483 . 10 1 1 A 39 39 GLN C C 561 177.126 177.907 -0.781 1
1 484 . 10 1 1 A 39 39 GLN CA C 561 58.751 57.882 0.869 1
1 485 . 10 1 1 A 39 39 GLN CB C 561 29.255 28.241 1.014 1
1 487 . 10 1 1 A 39 39 GLN N N 561 116.211 117.538 -1.327 1
1 489 . 10 1 1 A 40 40 ARG H H 562 7.334 7.922 -0.588 1
1 490 . 10 1 1 A 40 40 ARG HA H 562 4.092 4.190 -0.098 1
1 497 . 10 1 1 A 40 40 ARG C C 562 177.186 178.759 -1.573 1
1 498 . 10 1 1 A 40 40 ARG CA C 562 57.837 59.178 -1.341 1
1 499 . 10 1 1 A 40 40 ARG CB C 562 30.668 30.532 0.136 1
1 502 . 10 1 1 A 40 40 ARG N N 562 116.464 119.664 -3.200 1
1 503 . 10 1 1 A 41 41 LYS H H 563 7.802 7.373 0.429 1
1 504 . 10 1 1 A 41 41 LYS HA H 563 3.926 3.899 0.027 1
1 513 . 10 1 1 A 41 41 LYS C C 563 176.735 176.068 0.667 1
1 514 . 10 1 1 A 41 41 LYS CA C 563 57.866 58.481 -0.615 1
1 515 . 10 1 1 A 41 41 LYS CB C 563 33.314 32.564 0.750 1
1 519 . 10 1 1 A 41 41 LYS N N 563 118.658 119.378 -0.720 1
1 520 . 10 1 1 A 42 42 TYR H H 564 8.208 8.429 -0.221 1
1 521 . 10 1 1 A 42 42 TYR HA H 564 4.786 5.278 -0.492 1
1 528 . 10 1 1 A 42 42 TYR C C 564 174.346 175.642 -1.296 1
1 529 . 10 1 1 A 42 42 TYR CA C 564 55.497 56.169 -0.672 1
1 530 . 10 1 1 A 42 42 TYR CB C 564 36.075 38.445 -2.370 1
1 533 . 10 1 1 A 42 42 TYR N N 564 121.157 117.378 3.779 1
1 534 . 10 1 1 A 43 43 LYS H H 565 7.212 8.693 -1.481 1
1 535 . 10 1 1 A 43 43 LYS HA H 565 4.081 4.567 -0.486 1
1 544 . 10 1 1 A 43 43 LYS C C 565 179.082 178.329 0.753 1
1 545 . 10 1 1 A 43 43 LYS CA C 565 58.075 57.270 0.805 1
1 546 . 10 1 1 A 43 43 LYS CB C 565 32.157 33.284 -1.127 1
1 550 . 10 1 1 A 43 43 LYS N N 565 119.412 125.079 -5.667 1
1 551 . 10 1 1 A 44 44 GLY H H 566 9.179 8.368 0.811 1
1 552 . 10 1 1 A 44 44 GLY HA2 H 566 3.607 3.755 -0.148 1
1 553 . 10 1 1 A 44 44 GLY HA3 H 566 4.252 3.861 0.391 1
1 554 . 10 1 1 A 44 44 GLY C C 566 173.990 174.640 -0.650 1
1 555 . 10 1 1 A 44 44 GLY CA C 566 44.860 47.603 -2.743 1
1 556 . 10 1 1 A 44 44 GLY N N 566 114.958 107.501 7.457 1
1 557 . 10 1 1 A 45 45 ILE H H 567 7.604 7.145 0.459 1
1 558 . 10 1 1 A 45 45 ILE HA H 567 2.533 3.672 -1.139 1
1 568 . 10 1 1 A 45 45 ILE C C 567 172.893 175.124 -2.231 1
1 569 . 10 1 1 A 45 45 ILE CA C 567 61.754 61.443 0.311 1
1 570 . 10 1 1 A 45 45 ILE CB C 567 38.302 38.288 0.014 1
1 574 . 10 1 1 A 45 45 ILE N N 567 122.496 121.577 0.919 1
1 575 . 10 1 1 A 46 46 LYS H H 568 7.733 8.315 -0.582 1
1 576 . 10 1 1 A 46 46 LYS HA H 568 4.307 4.664 -0.357 1
1 585 . 10 1 1 A 46 46 LYS C C 568 174.772 175.685 -0.913 1
1 586 . 10 1 1 A 46 46 LYS CA C 568 54.069 54.365 -0.296 1
1 587 . 10 1 1 A 46 46 LYS CB C 568 31.741 34.600 -2.859 1
1 591 . 10 1 1 A 46 46 LYS N N 568 128.712 127.339 1.373 1
1 592 . 10 1 1 A 47 47 ILE H H 569 8.081 8.235 -0.154 1
1 593 . 10 1 1 A 47 47 ILE HA H 569 3.166 3.884 -0.718 1
1 603 . 10 1 1 A 47 47 ILE CA C 569 61.564 60.226 1.338 1
1 604 . 10 1 1 A 47 47 ILE CB C 569 36.718 37.693 -0.975 1
1 608 . 10 1 1 A 47 47 ILE N N 569 124.424 122.783 1.641 1
1 609 . 10 1 1 A 48 48 GLN H H 570 6.700 8.664 -1.964 1
1 610 . 10 1 1 A 48 48 GLN HA H 570 4.205 4.926 -0.721 1
1 617 . 10 1 1 A 48 48 GLN CA C 570 53.129 54.140 -1.011 1
1 618 . 10 1 1 A 48 48 GLN CB C 570 31.211 32.597 -1.386 1
1 620 . 10 1 1 A 48 48 GLN N N 570 122.748 123.538 -0.790 1
1 622 . 10 1 1 A 49 49 GLU H H 571 8.218 8.533 -0.315 1
1 623 . 10 1 1 A 49 49 GLU HA H 571 3.727 4.687 -0.960 1
1 628 . 10 1 1 A 49 49 GLU CA C 571 57.976 56.574 1.402 1
1 629 . 10 1 1 A 49 49 GLU CB C 571 30.954 29.370 1.584 1
1 631 . 10 1 1 A 49 49 GLU N N 571 116.531 122.284 -5.753 1
1 632 . 10 1 1 A 50 50 GLY H H 572 8.967 8.245 0.722 1
1 633 . 10 1 1 A 50 50 GLY HA2 H 572 2.810 4.038 -1.228 1
1 634 . 10 1 1 A 50 50 GLY HA3 H 572 4.198 4.191 0.007 1
1 635 . 10 1 1 A 50 50 GLY CA C 572 43.607 44.906 -1.299 1
1 636 . 10 1 1 A 50 50 GLY N N 572 111.469 111.278 0.191 1
1 637 . 10 1 1 A 51 51 ILE H H 573 8.410 8.732 -0.322 1
1 638 . 10 1 1 A 51 51 ILE HA H 573 4.916 4.491 0.425 1
1 648 . 10 1 1 A 51 51 ILE CA C 573 61.137 62.457 -1.320 1
1 649 . 10 1 1 A 51 51 ILE CB C 573 38.165 38.109 0.056 1
1 653 . 10 1 1 A 51 51 ILE N N 573 120.591 122.103 -1.512 1
1 654 . 10 1 1 A 52 52 VAL H H 574 8.900 9.162 -0.262 1
1 655 . 10 1 1 A 52 52 VAL HA H 574 4.073 4.753 -0.680 1
1 663 . 10 1 1 A 52 52 VAL CA C 574 62.516 61.961 0.555 1
1 664 . 10 1 1 A 52 52 VAL CB C 574 35.957 33.192 2.765 1
1 667 . 10 1 1 A 52 52 VAL N N 574 131.435 128.973 2.462 1
1 668 . 10 1 1 A 53 53 ASP H H 575 8.731 8.830 -0.099 1
1 669 . 10 1 1 A 53 53 ASP HA H 575 4.953 4.999 -0.046 1
1 672 . 10 1 1 A 53 53 ASP CA C 575 52.137 54.327 -2.190 1
1 673 . 10 1 1 A 53 53 ASP CB C 575 40.659 39.644 1.015 1
1 674 . 10 1 1 A 53 53 ASP N N 575 126.463 128.585 -2.122 1
1 675 . 10 1 1 A 54 54 TYR H H 576 8.639 9.096 -0.457 1
1 676 . 10 1 1 A 54 54 TYR HA H 576 4.407 4.878 -0.471 1
1 683 . 10 1 1 A 54 54 TYR CA C 576 57.833 57.570 0.263 1
1 684 . 10 1 1 A 54 54 TYR CB C 576 38.634 40.287 -1.653 1
1 687 . 10 1 1 A 54 54 TYR N N 576 131.097 125.524 5.573 1
1 688 . 10 1 1 A 55 55 GLY H H 577 8.388 8.961 -0.573 1
1 689 . 10 1 1 A 55 55 GLY HA2 H 577 3.056 3.853 -0.797 1
1 690 . 10 1 1 A 55 55 GLY HA3 H 577 4.307 3.895 0.412 1
1 691 . 10 1 1 A 55 55 GLY CA C 577 46.347 46.941 -0.594 1
1 692 . 10 1 1 A 55 55 GLY N N 577 115.719 116.444 -0.725 1
1 693 . 10 1 1 A 56 56 VAL H H 578 7.143 7.487 -0.344 1
1 694 . 10 1 1 A 56 56 VAL HA H 578 3.410 4.142 -0.732 1
1 702 . 10 1 1 A 56 56 VAL CA C 578 60.335 61.216 -0.881 1
1 703 . 10 1 1 A 56 56 VAL CB C 578 35.027 32.041 2.986 1
1 706 . 10 1 1 A 56 56 VAL N N 578 124.853 121.843 3.010 1
1 707 . 10 1 1 A 57 57 ARG H H 579 8.091 8.187 -0.096 1
1 708 . 10 1 1 A 57 57 ARG HA H 579 4.292 4.593 -0.301 1
1 715 . 10 1 1 A 57 57 ARG CA C 579 55.039 55.599 -0.560 1
1 716 . 10 1 1 A 57 57 ARG CB C 579 29.224 30.963 -1.739 1
1 719 . 10 1 1 A 57 57 ARG N N 579 124.754 126.535 -1.781 1
1 720 . 10 1 1 A 58 58 PHE H H 580 8.499 9.411 -0.912 1
1 721 . 10 1 1 A 58 58 PHE HA H 580 4.647 5.319 -0.672 1
1 729 . 10 1 1 A 58 58 PHE CA C 580 57.563 56.696 0.867 1
1 730 . 10 1 1 A 58 58 PHE CB C 580 42.026 41.585 0.441 1
1 734 . 10 1 1 A 58 58 PHE N N 580 124.105 122.855 1.250 1
1 735 . 10 1 1 A 59 59 PHE H H 581 7.683 8.526 -0.843 1
1 736 . 10 1 1 A 59 59 PHE HA H 581 4.689 5.155 -0.466 1
1 743 . 10 1 1 A 59 59 PHE CA C 581 56.662 57.031 -0.369 1
1 744 . 10 1 1 A 59 59 PHE CB C 581 41.024 40.493 0.531 1
1 747 . 10 1 1 A 59 59 PHE N N 581 119.707 122.772 -3.065 1
1 748 . 10 1 1 A 60 60 PHE H H 582 8.898 8.298 0.600 1
1 749 . 10 1 1 A 60 60 PHE HA H 582 5.563 4.863 0.700 1
1 757 . 10 1 1 A 60 60 PHE CA C 582 57.615 58.395 -0.780 1
1 758 . 10 1 1 A 60 60 PHE CB C 582 39.539 40.344 -0.805 1
1 762 . 10 1 1 A 60 60 PHE N N 582 127.157 126.336 0.821 1
1 763 . 10 1 1 A 61 61 TYR H H 583 8.441 8.821 -0.380 1
1 764 . 10 1 1 A 61 61 TYR HA H 583 5.301 5.610 -0.309 1
1 771 . 10 1 1 A 61 61 TYR CA C 583 54.556 55.666 -1.110 1
1 772 . 10 1 1 A 61 61 TYR CB C 583 41.444 41.260 0.184 1
1 775 . 10 1 1 A 61 61 TYR N N 583 119.072 119.272 -0.200 1
1 776 . 10 1 1 A 62 62 THR H H 584 9.444 8.678 0.766 1
1 777 . 10 1 1 A 62 62 THR HA H 584 4.680 5.005 -0.325 1
1 782 . 10 1 1 A 62 62 THR CA C 584 59.784 59.618 0.166 1
1 783 . 10 1 1 A 62 62 THR CB C 584 71.274 71.715 -0.441 1
1 785 . 10 1 1 A 62 62 THR N N 584 113.469 112.219 1.250 1
1 786 . 10 1 1 A 63 63 SER H H 585 9.092 8.918 0.174 1
1 787 . 10 1 1 A 63 63 SER HA H 585 4.685 4.117 0.568 1
1 790 . 10 1 1 A 63 63 SER CA C 585 59.665 60.985 -1.320 1
1 791 . 10 1 1 A 63 63 SER CB C 585 62.835 62.977 -0.142 1
1 792 . 10 1 1 A 63 63 SER N N 585 114.155 118.143 -3.988 1
1 793 . 10 1 1 A 64 64 LYS H H 586 7.484 7.829 -0.345 1
1 794 . 10 1 1 A 64 64 LYS HA H 586 4.074 4.279 -0.205 1
1 803 . 10 1 1 A 64 64 LYS CA C 586 55.960 58.597 -2.637 1
1 804 . 10 1 1 A 64 64 LYS CB C 586 32.662 32.614 0.048 1
1 808 . 10 1 1 A 64 64 LYS N N 586 118.230 119.233 -1.003 1
1 809 . 10 1 1 A 65 65 GLU H H 587 7.194 7.796 -0.602 1
1 810 . 10 1 1 A 65 65 GLU HA H 587 4.584 4.616 -0.032 1
1 815 . 10 1 1 A 65 65 GLU CA C 587 53.443 54.854 -1.411 1
1 816 . 10 1 1 A 65 65 GLU CB C 587 30.381 30.339 0.042 1
1 818 . 10 1 1 A 65 65 GLU N N 587 124.837 121.392 3.445 1
1 819 . 10 1 1 A 66 66 PRO HA H 588 4.506 4.614 -0.108 1
1 826 . 10 1 1 A 66 66 PRO CA C 588 62.620 63.244 -0.624 1
1 827 . 10 1 1 A 66 66 PRO CB C 588 32.368 31.993 0.375 1
1 830 . 10 1 1 A 67 67 VAL H H 589 8.545 8.212 0.333 1
1 831 . 10 1 1 A 67 67 VAL HA H 589 3.136 3.198 -0.062 1
1 839 . 10 1 1 A 67 67 VAL CA C 589 66.588 66.719 -0.131 1
1 840 . 10 1 1 A 67 67 VAL CB C 589 30.979 31.449 -0.470 1
1 843 . 10 1 1 A 67 67 VAL N N 589 123.156 123.178 -0.022 1
1 844 . 10 1 1 A 68 68 ALA H H 590 8.700 8.504 0.196 1
1 845 . 10 1 1 A 68 68 ALA HA H 590 3.953 3.977 -0.024 1
1 849 . 10 1 1 A 68 68 ALA CA C 590 54.867 55.595 -0.728 1
1 850 . 10 1 1 A 68 68 ALA CB C 590 18.134 18.225 -0.091 1
1 851 . 10 1 1 A 68 68 ALA N N 590 118.895 122.228 -3.333 1
1 852 . 10 1 1 A 69 69 SER H H 591 6.961 7.810 -0.849 1
1 853 . 10 1 1 A 69 69 SER HA H 591 4.195 4.196 -0.001 1
1 856 . 10 1 1 A 69 69 SER CA C 591 60.029 61.583 -1.554 1
1 857 . 10 1 1 A 69 69 SER CB C 591 62.045 62.877 -0.832 1
1 858 . 10 1 1 A 69 69 SER N N 591 111.445 112.876 -1.431 1
1 859 . 10 1 1 A 70 70 ILE H H 592 7.386 7.930 -0.544 1
1 860 . 10 1 1 A 70 70 ILE HA H 592 3.361 3.693 -0.332 1
1 870 . 10 1 1 A 70 70 ILE CA C 592 65.332 64.670 0.662 1
1 871 . 10 1 1 A 70 70 ILE CB C 592 38.427 37.420 1.007 1
1 875 . 10 1 1 A 70 70 ILE N N 592 122.407 121.535 0.872 1
1 876 . 10 1 1 A 71 71 ILE H H 593 8.332 8.366 -0.034 1
1 877 . 10 1 1 A 71 71 ILE HA H 593 3.256 3.471 -0.215 1
1 887 . 10 1 1 A 71 71 ILE CA C 593 65.023 65.159 -0.136 1
1 888 . 10 1 1 A 71 71 ILE CB C 593 36.662 37.791 -1.129 1
1 892 . 10 1 1 A 71 71 ILE N N 593 117.779 121.354 -3.575 1
1 893 . 10 1 1 A 72 72 THR H H 594 7.834 7.891 -0.057 1
1 894 . 10 1 1 A 72 72 THR HA H 594 3.845 3.963 -0.118 1
1 899 . 10 1 1 A 72 72 THR CA C 594 67.376 66.320 1.056 1
1 900 . 10 1 1 A 72 72 THR CB C 594 68.291 68.341 -0.050 1
1 902 . 10 1 1 A 72 72 THR N N 594 117.154 116.637 0.517 1
1 903 . 10 1 1 A 73 73 LYS H H 595 7.803 7.770 0.033 1
1 904 . 10 1 1 A 73 73 LYS HA H 595 3.936 4.105 -0.169 1
1 913 . 10 1 1 A 73 73 LYS CA C 595 59.853 58.713 1.140 1
1 914 . 10 1 1 A 73 73 LYS CB C 595 32.531 31.820 0.711 1
1 918 . 10 1 1 A 73 73 LYS N N 595 122.657 119.693 2.964 1
1 919 . 10 1 1 A 74 74 LEU H H 596 8.088 7.666 0.422 1
1 920 . 10 1 1 A 74 74 LEU HA H 596 3.681 4.083 -0.402 1
1 930 . 10 1 1 A 74 74 LEU CA C 596 57.217 56.774 0.443 1
1 931 . 10 1 1 A 74 74 LEU CB C 596 41.122 41.540 -0.418 1
1 935 . 10 1 1 A 74 74 LEU N N 596 119.593 119.114 0.479 1
1 936 . 10 1 1 A 75 75 ASN H H 597 8.949 8.350 0.599 1
1 937 . 10 1 1 A 75 75 ASN HA H 597 4.471 4.349 0.122 1
1 942 . 10 1 1 A 75 75 ASN CA C 597 54.735 56.923 -2.188 1
1 943 . 10 1 1 A 75 75 ASN CB C 597 37.074 38.483 -1.409 1
1 944 . 10 1 1 A 75 75 ASN N N 597 121.103 118.263 2.840 1
1 946 . 10 1 1 A 76 76 SER H H 598 7.927 7.886 0.041 1
1 947 . 10 1 1 A 76 76 SER HA H 598 4.137 4.154 -0.017 1
1 950 . 10 1 1 A 76 76 SER CA C 598 60.952 61.574 -0.622 1
1 951 . 10 1 1 A 76 76 SER CB C 598 62.516 62.120 0.396 1
1 952 . 10 1 1 A 76 76 SER N N 598 116.716 114.337 2.379 1
1 953 . 10 1 1 A 77 77 LEU H H 599 7.543 7.690 -0.147 1
1 954 . 10 1 1 A 77 77 LEU HA H 599 3.974 4.136 -0.162 1
1 964 . 10 1 1 A 77 77 LEU CA C 599 57.200 56.121 1.079 1
1 965 . 10 1 1 A 77 77 LEU CB C 599 41.749 42.364 -0.615 1
1 969 . 10 1 1 A 77 77 LEU N N 599 121.292 121.852 -0.560 1
1 970 . 10 1 1 A 78 78 ASN H H 600 7.755 7.991 -0.236 1
1 971 . 10 1 1 A 78 78 ASN HA H 600 4.114 4.354 -0.240 1
1 976 . 10 1 1 A 78 78 ASN CA C 600 53.603 54.156 -0.553 1
1 977 . 10 1 1 A 78 78 ASN CB C 600 37.688 36.205 1.483 1
1 978 . 10 1 1 A 78 78 ASN N N 600 113.272 116.566 -3.294 1
1 980 . 10 1 1 A 79 79 GLU H H 601 8.389 7.966 0.423 1
1 981 . 10 1 1 A 79 79 GLU HA H 601 4.675 4.446 0.229 1
1 986 . 10 1 1 A 79 79 GLU CA C 601 53.418 54.875 -1.457 1
1 987 . 10 1 1 A 79 79 GLU CB C 601 30.704 28.702 2.002 1
1 989 . 10 1 1 A 79 79 GLU N N 601 118.840 119.604 -0.764 1
1 990 . 10 1 1 A 80 80 PRO HA H 602 4.771 4.832 -0.061 1
1 997 . 10 1 1 A 80 80 PRO CA C 602 62.189 62.223 -0.034 1
1 998 . 10 1 1 A 80 80 PRO CB C 602 32.196 32.309 -0.113 1
1 1001 . 10 1 1 A 81 81 LEU H H 603 8.539 8.610 -0.071 1
1 1002 . 10 1 1 A 81 81 LEU HA H 603 5.766 5.262 0.504 1
1 1012 . 10 1 1 A 81 81 LEU CA C 603 53.432 53.078 0.354 1
1 1013 . 10 1 1 A 81 81 LEU CB C 603 48.114 46.193 1.921 1
1 1017 . 10 1 1 A 81 81 LEU N N 603 118.455 122.040 -3.585 1
1 1018 . 10 1 1 A 82 82 VAL H H 604 8.322 8.796 -0.474 1
1 1019 . 10 1 1 A 82 82 VAL HA H 604 5.110 4.806 0.304 1
1 1027 . 10 1 1 A 82 82 VAL CA C 604 59.609 60.621 -1.012 1
1 1028 . 10 1 1 A 82 82 VAL CB C 604 34.100 33.979 0.121 1
1 1031 . 10 1 1 A 82 82 VAL N N 604 121.259 120.986 0.273 1
1 1032 . 10 1 1 A 83 83 THR H H 605 8.570 8.677 -0.107 1
1 1033 . 10 1 1 A 83 83 THR HA H 605 5.107 4.821 0.286 1
1 1038 . 10 1 1 A 83 83 THR CA C 605 59.606 60.788 -1.182 1
1 1039 . 10 1 1 A 83 83 THR CB C 605 71.321 71.266 0.055 1
1 1041 . 10 1 1 A 83 83 THR N N 605 117.620 121.442 -3.822 1
1 1042 . 10 1 1 A 84 84 MET H H 606 8.288 8.903 -0.615 1
1 1043 . 10 1 1 A 84 84 MET HA H 606 5.310 4.642 0.668 1
1 1051 . 10 1 1 A 84 84 MET CA C 606 55.491 54.130 1.361 1
1 1052 . 10 1 1 A 84 84 MET CB C 606 31.549 33.674 -2.125 1
1 1055 . 10 1 1 A 84 84 MET N N 606 125.405 125.036 0.369 1
1 1056 . 10 1 1 A 85 85 PRO HA H 607 4.048 4.652 -0.604 1
1 1063 . 10 1 1 A 85 85 PRO CA C 607 63.608 62.821 0.787 1
1 1064 . 10 1 1 A 85 85 PRO CB C 607 31.291 31.684 -0.393 1
1 1067 . 10 1 1 A 86 86 ILE H H 608 8.326 8.644 -0.318 1
1 1068 . 10 1 1 A 86 86 ILE HA H 608 3.423 4.046 -0.623 1
1 1078 . 10 1 1 A 86 86 ILE CA C 608 63.457 64.565 -1.108 1
1 1079 . 10 1 1 A 86 86 ILE CB C 608 35.800 38.085 -2.285 1
1 1083 . 10 1 1 A 86 86 ILE N N 608 133.106 121.254 11.852 1
1 1084 . 10 1 1 A 87 87 GLY H H 609 8.549 8.094 0.455 1
1 1085 . 10 1 1 A 87 87 GLY HA2 H 609 3.448 3.628 -0.180 1
1 1086 . 10 1 1 A 87 87 GLY HA3 H 609 4.101 3.632 0.469 1
1 1087 . 10 1 1 A 87 87 GLY CA C 609 44.556 46.845 -2.289 1
1 1088 . 10 1 1 A 87 87 GLY N N 609 111.653 109.085 2.568 1
1 1089 . 10 1 1 A 88 88 TYR H H 610 7.224 8.447 -1.223 1
1 1090 . 10 1 1 A 88 88 TYR HA H 610 4.437 4.905 -0.468 1
1 1097 . 10 1 1 A 88 88 TYR CA C 610 57.670 56.856 0.814 1
1 1098 . 10 1 1 A 88 88 TYR CB C 610 38.604 39.815 -1.211 1
1 1101 . 10 1 1 A 88 88 TYR N N 610 121.537 123.177 -1.640 1
1 1102 . 10 1 1 A 89 89 VAL H H 611 8.953 7.861 1.092 1
1 1103 . 10 1 1 A 89 89 VAL HA H 611 3.065 3.470 -0.405 1
1 1111 . 10 1 1 A 89 89 VAL CA C 611 70.009 66.477 3.532 1
1 1112 . 10 1 1 A 89 89 VAL CB C 611 30.422 31.660 -1.238 1
1 1115 . 10 1 1 A 89 89 VAL N N 611 128.074 121.620 6.454 1
1 1116 . 10 1 1 A 90 90 THR H H 612 9.348 8.033 1.315 1
1 1117 . 10 1 1 A 90 90 THR HA H 612 3.810 4.109 -0.299 1
1 1122 . 10 1 1 A 90 90 THR CA C 612 64.727 64.419 0.308 1
1 1123 . 10 1 1 A 90 90 THR CB C 612 68.005 68.698 -0.693 1
1 1125 . 10 1 1 A 90 90 THR N N 612 117.972 110.879 7.093 1
1 1126 . 10 1 1 A 91 91 HIS H H 613 7.651 8.224 -0.573 1
1 1127 . 10 1 1 A 91 91 HIS HA H 613 4.685 4.640 0.045 1
1 1131 . 10 1 1 A 91 91 HIS CA C 613 55.419 55.786 -0.367 1
1 1132 . 10 1 1 A 91 91 HIS CB C 613 29.092 30.576 -1.484 1
1 1134 . 10 1 1 A 91 91 HIS N N 613 119.034 118.505 0.529 1
1 1135 . 10 1 1 A 92 92 GLY H H 614 7.655 8.348 -0.693 1
1 1136 . 10 1 1 A 92 92 GLY HA2 H 614 3.665 3.850 -0.185 1
1 1137 . 10 1 1 A 92 92 GLY HA3 H 614 4.095 3.918 0.177 1
1 1138 . 10 1 1 A 92 92 GLY CA C 614 45.035 46.309 -1.274 1
1 1139 . 10 1 1 A 92 92 GLY N N 614 106.031 109.354 -3.323 1
1 1140 . 10 1 1 A 93 93 PHE H H 615 6.716 8.332 -1.616 1
1 1141 . 10 1 1 A 93 93 PHE HA H 615 5.244 4.540 0.704 1
1 1149 . 10 1 1 A 93 93 PHE CA C 615 53.904 58.233 -4.329 1
1 1150 . 10 1 1 A 93 93 PHE CB C 615 38.587 40.142 -1.555 1
1 1154 . 10 1 1 A 93 93 PHE N N 615 116.220 118.886 -2.666 1
1 1155 . 10 1 1 A 94 94 ASN H H 616 9.141 8.626 0.515 1
1 1156 . 10 1 1 A 94 94 ASN HA H 616 4.956 5.231 -0.275 1
1 1161 . 10 1 1 A 94 94 ASN CA C 616 51.278 52.265 -0.987 1
1 1162 . 10 1 1 A 94 94 ASN CB C 616 37.692 39.461 -1.769 1
1 1163 . 10 1 1 A 94 94 ASN N N 616 122.153 118.976 3.177 1
1 1165 . 10 1 1 A 95 95 LEU H H 617 8.684 8.989 -0.305 1
1 1166 . 10 1 1 A 95 95 LEU HA H 617 3.831 4.279 -0.448 1
1 1176 . 10 1 1 A 95 95 LEU CA C 617 58.457 58.210 0.247 1
1 1177 . 10 1 1 A 95 95 LEU CB C 617 41.985 41.368 0.617 1
1 1181 . 10 1 1 A 95 95 LEU N N 617 119.153 121.980 -2.827 1
1 1182 . 10 1 1 A 96 96 GLU H H 618 7.747 8.121 -0.374 1
1 1183 . 10 1 1 A 96 96 GLU HA H 618 2.864 3.532 -0.668 1
1 1188 . 10 1 1 A 96 96 GLU CA C 618 59.402 59.697 -0.295 1
1 1189 . 10 1 1 A 96 96 GLU CB C 618 28.323 28.736 -0.413 1
1 1191 . 10 1 1 A 96 96 GLU N N 618 120.199 119.078 1.121 1
1 1192 . 10 1 1 A 97 97 GLU H H 619 8.503 8.147 0.356 1
1 1193 . 10 1 1 A 97 97 GLU HA H 619 3.497 3.950 -0.453 1
1 1198 . 10 1 1 A 97 97 GLU CA C 619 58.251 59.085 -0.834 1
1 1199 . 10 1 1 A 97 97 GLU CB C 619 29.073 29.238 -0.165 1
1 1201 . 10 1 1 A 97 97 GLU N N 619 118.988 117.681 1.307 1
1 1202 . 10 1 1 A 98 98 ALA H H 620 8.311 8.752 -0.441 1
1 1203 . 10 1 1 A 98 98 ALA HA H 620 4.211 4.597 -0.386 1
1 1207 . 10 1 1 A 98 98 ALA CA C 620 54.717 55.287 -0.570 1
1 1208 . 10 1 1 A 98 98 ALA CB C 620 18.635 18.456 0.179 1
1 1209 . 10 1 1 A 98 98 ALA N N 620 121.102 123.629 -2.527 1
1 1210 . 10 1 1 A 99 99 ALA H H 621 8.570 8.111 0.459 1
1 1211 . 10 1 1 A 99 99 ALA HA H 621 3.831 3.671 0.160 1
1 1215 . 10 1 1 A 99 99 ALA CA C 621 55.004 55.025 -0.021 1
1 1216 . 10 1 1 A 99 99 ALA CB C 621 18.548 17.807 0.741 1
1 1217 . 10 1 1 A 99 99 ALA N N 621 121.431 119.819 1.612 1
1 1218 . 10 1 1 A 100 100 ARG H H 622 7.646 8.473 -0.827 1
1 1219 . 10 1 1 A 100 100 ARG HA H 622 3.636 4.029 -0.393 1
1 1226 . 10 1 1 A 100 100 ARG CA C 622 59.556 59.823 -0.267 1
1 1227 . 10 1 1 A 100 100 ARG CB C 622 29.420 30.056 -0.636 1
1 1230 . 10 1 1 A 100 100 ARG N N 622 114.812 117.273 -2.461 1
1 1231 . 10 1 1 A 101 101 CYS H H 623 7.503 8.405 -0.902 1
1 1232 . 10 1 1 A 101 101 CYS HA H 623 4.081 4.232 -0.151 1
1 1235 . 10 1 1 A 101 101 CYS CA C 623 62.364 62.357 0.007 1
1 1236 . 10 1 1 A 101 101 CYS CB C 623 26.301 27.549 -1.248 1
1 1237 . 10 1 1 A 101 101 CYS N N 623 118.667 119.138 -0.471 1
1 1238 . 10 1 1 A 102 102 MET H H 624 8.332 7.969 0.363 1
1 1239 . 10 1 1 A 102 102 MET HA H 624 4.165 4.354 -0.189 1
1 1247 . 10 1 1 A 102 102 MET CA C 624 55.808 56.898 -1.090 1
1 1248 . 10 1 1 A 102 102 MET CB C 624 30.500 31.642 -1.142 1
1 1251 . 10 1 1 A 102 102 MET N N 624 119.480 119.174 0.306 1
1 1252 . 10 1 1 A 103 103 ARG H H 625 7.505 7.744 -0.239 1
1 1253 . 10 1 1 A 103 103 ARG HA H 625 4.022 4.199 -0.177 1
1 1260 . 10 1 1 A 103 103 ARG CA C 625 58.658 58.686 -0.028 1
1 1261 . 10 1 1 A 103 103 ARG CB C 625 30.413 30.001 0.412 1
1 1264 . 10 1 1 A 103 103 ARG N N 625 120.614 119.475 1.139 1
1 1265 . 10 1 1 A 104 104 SER H H 626 7.635 7.893 -0.258 1
1 1266 . 10 1 1 A 104 104 SER HA H 626 4.278 4.382 -0.104 1
1 1269 . 10 1 1 A 104 104 SER CA C 626 58.925 60.702 -1.777 1
1 1270 . 10 1 1 A 104 104 SER CB C 626 63.785 63.459 0.326 1
1 1271 . 10 1 1 A 104 104 SER N N 626 111.144 112.776 -1.632 1
1 1272 . 10 1 1 A 105 105 LEU H H 627 7.602 7.205 0.397 1
1 1273 . 10 1 1 A 105 105 LEU HA H 627 4.387 4.487 -0.100 1
1 1283 . 10 1 1 A 105 105 LEU CA C 627 55.025 55.491 -0.466 1
1 1284 . 10 1 1 A 105 105 LEU CB C 627 42.360 42.748 -0.388 1
1 1288 . 10 1 1 A 105 105 LEU N N 627 125.064 122.657 2.407 1
1 1289 . 10 1 1 A 106 106 LYS H H 628 9.724 9.154 0.570 1
1 1290 . 10 1 1 A 106 106 LYS HA H 628 4.244 4.630 -0.386 1
1 1299 . 10 1 1 A 106 106 LYS CA C 628 54.781 55.437 -0.656 1
1 1300 . 10 1 1 A 106 106 LYS CB C 628 33.456 32.842 0.614 1
1 1304 . 10 1 1 A 106 106 LYS N N 628 128.616 125.110 3.506 1
1 1305 . 10 1 1 A 107 107 ALA H H 629 6.593 7.515 -0.922 1
1 1306 . 10 1 1 A 107 107 ALA HA H 629 4.420 4.867 -0.447 1
1 1310 . 10 1 1 A 107 107 ALA CA C 629 50.003 50.061 -0.058 1
1 1311 . 10 1 1 A 107 107 ALA CB C 629 17.219 22.026 -4.807 1
1 1312 . 10 1 1 A 107 107 ALA N N 629 124.084 121.474 2.610 1
1 1313 . 10 1 1 A 108 108 PRO HA H 630 4.302 4.649 -0.347 1
1 1320 . 10 1 1 A 108 108 PRO CA C 630 62.816 62.461 0.355 1
1 1321 . 10 1 1 A 108 108 PRO CB C 630 31.743 32.331 -0.588 1
1 1324 . 10 1 1 A 109 109 ALA H H 631 7.898 8.338 -0.440 1
1 1325 . 10 1 1 A 109 109 ALA HA H 631 5.092 4.972 0.120 1
1 1329 . 10 1 1 A 109 109 ALA CA C 631 50.966 50.475 0.491 1
1 1330 . 10 1 1 A 109 109 ALA CB C 631 22.217 22.618 -0.401 1
1 1331 . 10 1 1 A 109 109 ALA N N 631 122.466 122.586 -0.120 1
1 1332 . 10 1 1 A 110 110 VAL H H 632 8.071 8.588 -0.517 1
1 1333 . 10 1 1 A 110 110 VAL HA H 632 4.167 4.772 -0.605 1
1 1341 . 10 1 1 A 110 110 VAL CA C 632 61.685 61.370 0.315 1
1 1342 . 10 1 1 A 110 110 VAL CB C 632 32.856 33.399 -0.543 1
1 1345 . 10 1 1 A 110 110 VAL N N 632 125.531 118.148 7.383 1
1 1346 . 10 1 1 A 111 111 VAL H H 633 8.182 8.561 -0.379 1
1 1347 . 10 1 1 A 111 111 VAL HA H 633 4.731 5.073 -0.342 1
1 1355 . 10 1 1 A 111 111 VAL CA C 633 59.473 60.659 -1.186 1
1 1356 . 10 1 1 A 111 111 VAL CB C 633 32.919 33.740 -0.821 1
1 1359 . 10 1 1 A 111 111 VAL N N 633 128.148 128.400 -0.252 1
1 1360 . 10 1 1 A 112 112 SER H H 634 8.591 8.856 -0.265 1
1 1361 . 10 1 1 A 112 112 SER HA H 634 4.920 4.653 0.267 1
1 1364 . 10 1 1 A 112 112 SER CA C 634 53.905 58.015 -4.110 1
1 1365 . 10 1 1 A 112 112 SER CB C 634 64.651 62.358 2.293 1
1 1366 . 10 1 1 A 112 112 SER N N 634 119.276 126.235 -6.959 1
1 1367 . 10 1 1 A 113 113 VAL H H 635 8.503 8.206 0.297 1
1 1368 . 10 1 1 A 113 113 VAL HA H 635 4.522 4.259 0.263 1
1 1376 . 10 1 1 A 113 113 VAL CA C 635 59.398 60.123 -0.725 1
1 1377 . 10 1 1 A 113 113 VAL CB C 635 32.548 34.130 -1.582 1
1 1380 . 10 1 1 A 113 113 VAL N N 635 118.886 124.317 -5.431 1
1 1381 . 10 1 1 A 114 114 SER H H 636 8.263 8.509 -0.246 1
1 1382 . 10 1 1 A 114 114 SER HA H 636 3.940 4.263 -0.323 1
1 1385 . 10 1 1 A 114 114 SER CA C 636 61.597 61.117 0.480 1
1 1386 . 10 1 1 A 114 114 SER CB C 636 63.321 63.586 -0.265 1
1 1387 . 10 1 1 A 114 114 SER N N 636 112.710 117.674 -4.964 1
1 1388 . 10 1 1 A 115 115 SER H H 637 7.269 7.817 -0.548 1
1 1389 . 10 1 1 A 115 115 SER HA H 637 4.956 4.812 0.144 1
1 1392 . 10 1 1 A 115 115 SER CA C 637 55.674 55.519 0.155 1
1 1393 . 10 1 1 A 115 115 SER CB C 637 64.074 65.413 -1.339 1
1 1394 . 10 1 1 A 115 115 SER N N 637 114.537 112.692 1.845 1
1 1395 . 10 1 1 A 116 116 PRO HA H 638 4.186 4.253 -0.067 1
1 1402 . 10 1 1 A 116 116 PRO CA C 638 65.021 65.512 -0.491 1
1 1403 . 10 1 1 A 116 116 PRO CB C 638 31.908 31.743 0.165 1
1 1406 . 10 1 1 A 117 117 ASP H H 639 8.161 8.459 -0.298 1
1 1407 . 10 1 1 A 117 117 ASP HA H 639 4.359 4.378 -0.019 1
1 1410 . 10 1 1 A 117 117 ASP CA C 639 55.928 56.584 -0.656 1
1 1411 . 10 1 1 A 117 117 ASP CB C 639 40.088 40.221 -0.133 1
1 1412 . 10 1 1 A 117 117 ASP N N 639 116.310 117.095 -0.785 1
1 1413 . 10 1 1 A 118 118 ALA H H 640 7.596 7.963 -0.367 1
1 1414 . 10 1 1 A 118 118 ALA HA H 640 4.225 4.118 0.107 1
1 1418 . 10 1 1 A 118 118 ALA CA C 640 52.964 54.754 -1.790 1
1 1419 . 10 1 1 A 118 118 ALA CB C 640 18.334 18.245 0.089 1
1 1420 . 10 1 1 A 118 118 ALA N N 640 121.066 122.550 -1.484 1
1 1421 . 10 1 1 A 119 119 VAL H H 641 7.280 7.711 -0.431 1
1 1422 . 10 1 1 A 119 119 VAL HA H 641 3.221 3.453 -0.232 1
1 1430 . 10 1 1 A 119 119 VAL CA C 641 66.608 67.023 -0.415 1
1 1431 . 10 1 1 A 119 119 VAL CB C 641 31.436 31.589 -0.153 1
1 1434 . 10 1 1 A 119 119 VAL N N 641 120.886 119.164 1.722 1
1 1435 . 10 1 1 A 120 120 THR H H 642 7.475 8.106 -0.631 1
1 1436 . 10 1 1 A 120 120 THR HA H 642 3.840 3.883 -0.043 1
1 1441 . 10 1 1 A 120 120 THR CA C 642 65.297 65.786 -0.489 1
1 1442 . 10 1 1 A 120 120 THR CB C 642 68.042 68.761 -0.719 1
1 1444 . 10 1 1 A 120 120 THR N N 642 112.821 115.909 -3.088 1
1 1445 . 10 1 1 A 121 121 THR H H 643 7.328 7.581 -0.253 1
1 1446 . 10 1 1 A 121 121 THR HA H 643 3.477 3.715 -0.238 1
1 1451 . 10 1 1 A 121 121 THR CA C 643 65.341 66.515 -1.174 1
1 1452 . 10 1 1 A 121 121 THR CB C 643 68.196 68.490 -0.294 1
1 1454 . 10 1 1 A 121 121 THR N N 643 119.194 116.588 2.606 1
1 1455 . 10 1 1 A 122 122 TYR H H 644 8.766 8.007 0.759 1
1 1456 . 10 1 1 A 122 122 TYR HA H 644 3.764 4.057 -0.293 1
1 1463 . 10 1 1 A 122 122 TYR CA C 644 62.340 61.546 0.794 1
1 1464 . 10 1 1 A 122 122 TYR CB C 644 39.106 38.432 0.674 1
1 1467 . 10 1 1 A 122 122 TYR N N 644 122.838 121.163 1.675 1
1 1468 . 10 1 1 A 123 123 ASN H H 645 8.290 8.577 -0.287 1
1 1469 . 10 1 1 A 123 123 ASN HA H 645 4.299 4.406 -0.107 1
1 1474 . 10 1 1 A 123 123 ASN CA C 645 55.018 56.037 -1.019 1
1 1475 . 10 1 1 A 123 123 ASN CB C 645 36.967 37.926 -0.959 1
1 1476 . 10 1 1 A 123 123 ASN N N 645 116.356 117.851 -1.495 1
1 1478 . 10 1 1 A 124 124 GLY H H 646 7.768 8.440 -0.672 1
1 1479 . 10 1 1 A 124 124 GLY HA2 H 646 3.639 3.550 0.089 1
1 1480 . 10 1 1 A 124 124 GLY HA3 H 646 3.707 3.660 0.047 1
1 1481 . 10 1 1 A 124 124 GLY CA C 646 46.521 47.046 -0.525 1
1 1482 . 10 1 1 A 124 124 GLY N N 646 108.260 108.504 -0.244 1
1 1483 . 10 1 1 A 125 125 TYR H H 647 7.386 7.445 -0.059 1
1 1484 . 10 1 1 A 125 125 TYR HA H 647 4.608 4.584 0.024 1
1 1491 . 10 1 1 A 125 125 TYR CA C 647 57.204 59.764 -2.560 1
1 1492 . 10 1 1 A 125 125 TYR CB C 647 37.557 37.705 -0.148 1
1 1495 . 10 1 1 A 125 125 TYR N N 647 120.587 121.314 -0.727 1
1 1496 . 10 1 1 A 126 126 LEU H H 648 7.802 8.252 -0.450 1
1 1497 . 10 1 1 A 126 126 LEU HA H 648 3.801 3.814 -0.013 1
1 1507 . 10 1 1 A 126 126 LEU CA C 648 56.663 58.317 -1.654 1
1 1508 . 10 1 1 A 126 126 LEU CB C 648 42.298 41.824 0.474 1
1 1512 . 10 1 1 A 126 126 LEU N N 648 119.234 120.391 -1.157 1
1 1513 . 10 1 1 A 127 127 THR H H 649 7.473 7.948 -0.475 1
1 1514 . 10 1 1 A 127 127 THR HA H 649 4.238 4.285 -0.047 1
1 1519 . 10 1 1 A 127 127 THR CA C 649 61.868 64.421 -2.553 1
1 1520 . 10 1 1 A 127 127 THR CB C 649 69.451 69.388 0.063 1
1 1522 . 10 1 1 A 127 127 THR N N 649 108.633 114.751 -6.118 1
1 1523 . 10 1 1 A 128 128 SER H H 650 7.696 7.700 -0.004 1
1 1524 . 10 1 1 A 128 128 SER HA H 650 4.439 4.081 0.358 1
1 1527 . 10 1 1 A 128 128 SER CA C 650 58.451 59.458 -1.007 1
1 1528 . 10 1 1 A 128 128 SER CB C 650 63.763 61.590 2.173 1
1 1529 . 10 1 1 A 128 128 SER N N 650 117.667 115.539 2.128 1
1 1 . 11 1 1 A 2 2 SER HA H -3 4.607 5.191 -0.584 1
1 4 . 11 1 1 A 2 2 SER C C -3 174.489 173.115 1.374 1
1 5 . 11 1 1 A 2 2 SER CA C -3 56.994 57.855 -0.861 1
1 6 . 11 1 1 A 2 2 SER CB C -3 64.641 66.252 -1.611 1
1 7 . 11 1 1 A 2 2 SER N N -3 115.970 120.648 -4.678 1
1 8 . 11 1 1 A 3 3 HIS H H -2 8.138 8.766 -0.628 1
1 9 . 11 1 1 A 3 3 HIS HA H -2 4.558 5.231 -0.673 1
1 13 . 11 1 1 A 3 3 HIS C C -2 176.502 174.151 2.351 1
1 14 . 11 1 1 A 3 3 HIS CA C -2 56.164 54.581 1.583 1
1 15 . 11 1 1 A 3 3 HIS CB C -2 30.643 34.417 -3.774 1
1 17 . 11 1 1 A 3 3 HIS N N -2 122.640 121.523 1.117 1
1 39 . 11 1 1 A 6 6 THR H H 528 7.755 8.651 -0.896 1
1 40 . 11 1 1 A 6 6 THR HA H 528 5.155 4.722 0.433 1
1 45 . 11 1 1 A 6 6 THR C C 528 174.544 174.299 0.245 1
1 46 . 11 1 1 A 6 6 THR CA C 528 60.657 62.972 -2.315 1
1 47 . 11 1 1 A 6 6 THR CB C 528 68.218 69.642 -1.424 1
1 49 . 11 1 1 A 6 6 THR N N 528 118.293 116.539 1.754 1
1 50 . 11 1 1 A 7 7 VAL H H 529 8.966 8.776 0.190 1
1 51 . 11 1 1 A 7 7 VAL HA H 529 4.240 4.893 -0.653 1
1 59 . 11 1 1 A 7 7 VAL C C 529 174.012 174.437 -0.425 1
1 60 . 11 1 1 A 7 7 VAL CA C 529 58.309 58.825 -0.516 1
1 61 . 11 1 1 A 7 7 VAL CB C 529 35.661 35.679 -0.018 1
1 64 . 11 1 1 A 7 7 VAL N N 529 121.381 120.192 1.189 1
1 65 . 11 1 1 A 8 8 SER H H 530 8.193 8.891 -0.698 1
1 66 . 11 1 1 A 8 8 SER HA H 530 4.825 5.093 -0.268 1
1 69 . 11 1 1 A 8 8 SER C C 530 172.908 173.352 -0.444 1
1 70 . 11 1 1 A 8 8 SER CA C 530 55.790 56.285 -0.495 1
1 71 . 11 1 1 A 8 8 SER CB C 530 62.800 63.453 -0.653 1
1 72 . 11 1 1 A 8 8 SER N N 530 113.044 115.891 -2.847 1
1 73 . 11 1 1 A 9 9 TRP H H 531 7.595 8.893 -1.298 1
1 74 . 11 1 1 A 9 9 TRP HA H 531 5.353 5.310 0.043 1
1 83 . 11 1 1 A 9 9 TRP C C 531 177.031 176.316 0.715 1
1 84 . 11 1 1 A 9 9 TRP CA C 531 51.902 56.686 -4.784 1
1 85 . 11 1 1 A 9 9 TRP CB C 531 32.848 32.283 0.565 1
1 91 . 11 1 1 A 9 9 TRP N N 531 124.627 126.096 -1.469 1
1 93 . 11 1 1 A 10 10 ASN H H 532 9.312 8.928 0.384 1
1 94 . 11 1 1 A 10 10 ASN HA H 532 4.601 5.100 -0.499 1
1 99 . 11 1 1 A 10 10 ASN C C 532 175.214 177.336 -2.122 1
1 100 . 11 1 1 A 10 10 ASN CA C 532 51.428 52.095 -0.667 1
1 101 . 11 1 1 A 10 10 ASN CB C 532 38.140 40.055 -1.915 1
1 102 . 11 1 1 A 10 10 ASN N N 532 121.842 119.587 2.255 1
1 104 . 11 1 1 A 11 11 LEU H H 533 8.503 8.803 -0.300 1
1 105 . 11 1 1 A 11 11 LEU HA H 533 4.086 4.090 -0.004 1
1 115 . 11 1 1 A 11 11 LEU C C 533 178.309 178.454 -0.145 1
1 116 . 11 1 1 A 11 11 LEU CA C 533 58.491 58.625 -0.134 1
1 117 . 11 1 1 A 11 11 LEU CB C 533 41.525 41.569 -0.044 1
1 121 . 11 1 1 A 11 11 LEU N N 533 119.723 126.355 -6.632 1
1 122 . 11 1 1 A 12 12 ARG H H 534 8.057 8.329 -0.272 1
1 123 . 11 1 1 A 12 12 ARG HA H 534 3.840 4.160 -0.320 1
1 130 . 11 1 1 A 12 12 ARG C C 534 179.597 178.379 1.218 1
1 131 . 11 1 1 A 12 12 ARG CA C 534 59.873 58.954 0.919 1
1 132 . 11 1 1 A 12 12 ARG CB C 534 29.076 30.213 -1.137 1
1 135 . 11 1 1 A 12 12 ARG N N 534 117.711 117.537 0.174 1
1 136 . 11 1 1 A 13 13 GLU H H 535 8.342 8.439 -0.097 1
1 137 . 11 1 1 A 13 13 GLU HA H 535 3.724 4.022 -0.298 1
1 142 . 11 1 1 A 13 13 GLU C C 535 179.948 179.238 0.710 1
1 143 . 11 1 1 A 13 13 GLU CA C 535 58.753 59.019 -0.266 1
1 144 . 11 1 1 A 13 13 GLU CB C 535 29.402 29.242 0.160 1
1 146 . 11 1 1 A 13 13 GLU N N 535 121.501 119.867 1.634 1
1 147 . 11 1 1 A 14 14 MET H H 536 8.684 8.392 0.292 1
1 148 . 11 1 1 A 14 14 MET HA H 536 3.945 4.348 -0.403 1
1 156 . 11 1 1 A 14 14 MET C C 536 177.364 178.734 -1.370 1
1 157 . 11 1 1 A 14 14 MET CA C 536 60.550 58.261 2.289 1
1 158 . 11 1 1 A 14 14 MET CB C 536 34.412 32.843 1.569 1
1 161 . 11 1 1 A 14 14 MET N N 536 120.565 119.796 0.769 1
1 162 . 11 1 1 A 15 15 LEU H H 537 8.731 8.533 0.198 1
1 163 . 11 1 1 A 15 15 LEU HA H 537 3.970 4.204 -0.234 1
1 173 . 11 1 1 A 15 15 LEU C C 537 178.544 178.390 0.154 1
1 174 . 11 1 1 A 15 15 LEU CA C 537 57.723 58.556 -0.833 1
1 175 . 11 1 1 A 15 15 LEU CB C 537 41.396 42.103 -0.707 1
1 179 . 11 1 1 A 15 15 LEU N N 537 118.710 121.368 -2.658 1
1 180 . 11 1 1 A 16 16 ALA H H 538 7.816 8.329 -0.513 1
1 181 . 11 1 1 A 16 16 ALA HA H 538 4.026 4.119 -0.093 1
1 185 . 11 1 1 A 16 16 ALA C C 538 180.374 179.200 1.174 1
1 186 . 11 1 1 A 16 16 ALA CA C 538 54.734 54.999 -0.265 1
1 187 . 11 1 1 A 16 16 ALA CB C 538 17.670 18.450 -0.780 1
1 188 . 11 1 1 A 16 16 ALA N N 538 120.155 121.066 -0.911 1
1 189 . 11 1 1 A 17 17 HIS H H 539 7.715 8.704 -0.989 1
1 190 . 11 1 1 A 17 17 HIS HA H 539 4.180 4.152 0.028 1
1 194 . 11 1 1 A 17 17 HIS C C 539 179.167 177.103 2.064 1
1 195 . 11 1 1 A 17 17 HIS CA C 539 59.392 59.745 -0.353 1
1 196 . 11 1 1 A 17 17 HIS CB C 539 29.094 29.661 -0.567 1
1 198 . 11 1 1 A 17 17 HIS N N 539 117.446 117.822 -0.376 1
1 199 . 11 1 1 A 18 18 ALA H H 540 8.995 8.653 0.342 1
1 200 . 11 1 1 A 18 18 ALA HA H 540 3.656 4.074 -0.418 1
1 204 . 11 1 1 A 18 18 ALA C C 540 180.803 179.748 1.055 1
1 205 . 11 1 1 A 18 18 ALA CA C 540 55.762 55.191 0.571 1
1 206 . 11 1 1 A 18 18 ALA CB C 540 18.380 17.968 0.412 1
1 207 . 11 1 1 A 18 18 ALA N N 540 124.222 121.056 3.166 1
1 208 . 11 1 1 A 19 19 GLU H H 541 8.840 8.433 0.407 1
1 209 . 11 1 1 A 19 19 GLU HA H 541 3.695 3.878 -0.183 1
1 214 . 11 1 1 A 19 19 GLU C C 541 178.479 178.642 -0.163 1
1 215 . 11 1 1 A 19 19 GLU CA C 541 59.695 59.842 -0.147 1
1 216 . 11 1 1 A 19 19 GLU CB C 541 29.740 29.504 0.236 1
1 218 . 11 1 1 A 19 19 GLU N N 541 121.086 118.358 2.728 1
1 219 . 11 1 1 A 20 20 GLU H H 542 7.649 8.526 -0.877 1
1 220 . 11 1 1 A 20 20 GLU HA H 542 3.980 4.045 -0.065 1
1 225 . 11 1 1 A 20 20 GLU C C 542 178.212 178.816 -0.604 1
1 226 . 11 1 1 A 20 20 GLU CA C 542 58.593 59.257 -0.664 1
1 227 . 11 1 1 A 20 20 GLU CB C 542 30.293 29.593 0.700 1
1 229 . 11 1 1 A 20 20 GLU N N 542 117.027 119.696 -2.669 1
1 230 . 11 1 1 A 21 21 THR H H 543 7.588 8.080 -0.492 1
1 231 . 11 1 1 A 21 21 THR HA H 543 4.105 4.206 -0.101 1
1 236 . 11 1 1 A 21 21 THR C C 543 175.320 174.167 1.153 1
1 237 . 11 1 1 A 21 21 THR CA C 543 62.110 62.438 -0.328 1
1 238 . 11 1 1 A 21 21 THR CB C 543 70.747 69.186 1.561 1
1 240 . 11 1 1 A 21 21 THR N N 543 105.058 111.083 -6.025 1
1 241 . 11 1 1 A 22 22 ARG H H 544 7.678 7.644 0.034 1
1 242 . 11 1 1 A 22 22 ARG HA H 544 3.925 3.930 -0.005 1
1 249 . 11 1 1 A 22 22 ARG C C 544 175.207 174.639 0.568 1
1 250 . 11 1 1 A 22 22 ARG CA C 544 55.996 57.006 -1.010 1
1 251 . 11 1 1 A 22 22 ARG CB C 544 24.959 27.207 -2.248 1
1 254 . 11 1 1 A 22 22 ARG N N 544 116.694 117.471 -0.777 1
1 255 . 11 1 1 A 23 23 LYS H H 545 6.931 7.658 -0.727 1
1 256 . 11 1 1 A 23 23 LYS HA H 545 4.169 4.750 -0.581 1
1 265 . 11 1 1 A 23 23 LYS C C 545 174.855 175.331 -0.476 1
1 266 . 11 1 1 A 23 23 LYS CA C 545 56.339 54.309 2.030 1
1 267 . 11 1 1 A 23 23 LYS CB C 545 36.104 34.493 1.611 1
1 271 . 11 1 1 A 23 23 LYS N N 545 117.744 118.065 -0.321 1
1 272 . 11 1 1 A 24 24 LEU H H 546 7.898 7.849 0.049 1
1 273 . 11 1 1 A 24 24 LEU HA H 546 4.487 4.522 -0.035 1
1 283 . 11 1 1 A 24 24 LEU C C 546 175.730 175.603 0.127 1
1 284 . 11 1 1 A 24 24 LEU CA C 546 54.171 55.394 -1.223 1
1 285 . 11 1 1 A 24 24 LEU CB C 546 43.228 42.397 0.831 1
1 289 . 11 1 1 A 24 24 LEU N N 546 122.692 123.254 -0.562 1
1 290 . 11 1 1 A 25 25 MET H H 547 8.767 9.198 -0.431 1
1 291 . 11 1 1 A 25 25 MET HA H 547 5.728 5.184 0.544 1
1 299 . 11 1 1 A 25 25 MET CA C 547 51.900 52.090 -0.190 1
1 300 . 11 1 1 A 25 25 MET CB C 547 34.876 33.921 0.955 1
1 303 . 11 1 1 A 25 25 MET N N 547 126.346 127.437 -1.091 1
1 304 . 11 1 1 A 26 26 PRO HA H 548 5.994 5.094 0.900 1
1 311 . 11 1 1 A 26 26 PRO C C 548 176.241 176.264 -0.023 1
1 312 . 11 1 1 A 26 26 PRO CA C 548 61.285 63.054 -1.769 1
1 313 . 11 1 1 A 26 26 PRO CB C 548 32.260 32.701 -0.441 1
1 316 . 11 1 1 A 27 27 ILE H H 549 9.054 8.478 0.576 1
1 317 . 11 1 1 A 27 27 ILE HA H 549 4.284 4.620 -0.336 1
1 327 . 11 1 1 A 27 27 ILE C C 549 173.407 174.913 -1.506 1
1 328 . 11 1 1 A 27 27 ILE CA C 549 57.503 59.650 -2.147 1
1 329 . 11 1 1 A 27 27 ILE CB C 549 41.581 41.502 0.079 1
1 333 . 11 1 1 A 27 27 ILE N N 549 126.281 121.746 4.535 1
1 334 . 11 1 1 A 28 28 CYS H H 550 8.459 8.515 -0.056 1
1 335 . 11 1 1 A 28 28 CYS HA H 550 3.704 3.565 0.139 1
1 339 . 11 1 1 A 28 28 CYS C C 550 174.180 175.973 -1.793 1
1 340 . 11 1 1 A 28 28 CYS CA C 550 56.873 58.563 -1.690 1
1 341 . 11 1 1 A 28 28 CYS CB C 550 27.537 27.973 -0.436 1
1 342 . 11 1 1 A 28 28 CYS N N 550 125.844 125.985 -0.141 1
1 343 . 11 1 1 A 29 29 MET H H 551 8.782 8.863 -0.081 1
1 344 . 11 1 1 A 29 29 MET HA H 551 4.637 4.056 0.581 1
1 352 . 11 1 1 A 29 29 MET C C 551 174.613 177.696 -3.083 1
1 353 . 11 1 1 A 29 29 MET CA C 551 56.871 57.582 -0.711 1
1 354 . 11 1 1 A 29 29 MET CB C 551 34.394 31.147 3.247 1
1 357 . 11 1 1 A 29 29 MET N N 551 127.467 127.248 0.219 1
1 358 . 11 1 1 A 30 30 ASP H H 552 7.308 8.255 -0.947 1
1 359 . 11 1 1 A 30 30 ASP HA H 552 4.562 4.318 0.244 1
1 362 . 11 1 1 A 30 30 ASP C C 552 175.386 176.620 -1.234 1
1 363 . 11 1 1 A 30 30 ASP CA C 552 54.371 56.677 -2.306 1
1 364 . 11 1 1 A 30 30 ASP CB C 552 41.751 40.893 0.858 1
1 365 . 11 1 1 A 30 30 ASP N N 552 117.209 120.613 -3.404 1
1 366 . 11 1 1 A 31 31 VAL H H 553 7.257 7.504 -0.247 1
1 367 . 11 1 1 A 31 31 VAL HA H 553 4.057 4.231 -0.174 1
1 375 . 11 1 1 A 31 31 VAL C C 553 175.729 175.889 -0.160 1
1 376 . 11 1 1 A 31 31 VAL CA C 553 61.834 61.852 -0.018 1
1 377 . 11 1 1 A 31 31 VAL CB C 553 30.034 29.780 0.254 1
1 380 . 11 1 1 A 31 31 VAL N N 553 120.645 117.879 2.766 1
1 381 . 11 1 1 A 32 32 ARG H H 554 8.412 8.143 0.269 1
1 382 . 11 1 1 A 32 32 ARG HA H 554 3.794 4.001 -0.207 1
1 389 . 11 1 1 A 32 32 ARG C C 554 178.819 178.429 0.390 1
1 390 . 11 1 1 A 32 32 ARG CA C 554 59.725 59.523 0.202 1
1 391 . 11 1 1 A 32 32 ARG CB C 554 29.537 29.782 -0.245 1
1 394 . 11 1 1 A 32 32 ARG N N 554 130.554 127.722 2.832 1
1 395 . 11 1 1 A 33 33 ALA H H 555 9.094 7.956 1.138 1
1 396 . 11 1 1 A 33 33 ALA HA H 555 4.081 4.082 -0.001 1
1 400 . 11 1 1 A 33 33 ALA C C 555 180.716 180.399 0.317 1
1 401 . 11 1 1 A 33 33 ALA CA C 555 55.002 55.075 -0.073 1
1 402 . 11 1 1 A 33 33 ALA CB C 555 18.462 18.178 0.284 1
1 403 . 11 1 1 A 33 33 ALA N N 555 119.862 121.750 -1.888 1
1 404 . 11 1 1 A 34 34 ILE H H 556 6.620 7.800 -1.180 1
1 405 . 11 1 1 A 34 34 ILE HA H 556 3.745 3.686 0.059 1
1 415 . 11 1 1 A 34 34 ILE C C 556 177.540 177.834 -0.294 1
1 416 . 11 1 1 A 34 34 ILE CA C 556 64.101 64.937 -0.836 1
1 417 . 11 1 1 A 34 34 ILE CB C 556 38.397 37.955 0.442 1
1 421 . 11 1 1 A 34 34 ILE N N 556 116.216 119.097 -2.881 1
1 422 . 11 1 1 A 35 35 MET H H 557 7.619 8.420 -0.801 1
1 423 . 11 1 1 A 35 35 MET HA H 557 4.249 4.106 0.143 1
1 431 . 11 1 1 A 35 35 MET C C 557 178.737 178.321 0.416 1
1 432 . 11 1 1 A 35 35 MET CA C 557 56.113 58.834 -2.721 1
1 433 . 11 1 1 A 35 35 MET CB C 557 29.490 32.543 -3.053 1
1 436 . 11 1 1 A 35 35 MET N N 557 118.017 118.017 0.000 1
1 437 . 11 1 1 A 36 36 ALA H H 558 8.410 8.095 0.315 1
1 438 . 11 1 1 A 36 36 ALA HA H 558 4.084 4.040 0.044 1
1 442 . 11 1 1 A 36 36 ALA C C 558 180.632 179.776 0.856 1
1 443 . 11 1 1 A 36 36 ALA CA C 558 55.024 55.120 -0.096 1
1 444 . 11 1 1 A 36 36 ALA CB C 558 17.698 18.535 -0.837 1
1 445 . 11 1 1 A 36 36 ALA N N 558 121.592 121.280 0.312 1
1 446 . 11 1 1 A 37 37 THR H H 559 7.294 7.781 -0.487 1
1 447 . 11 1 1 A 37 37 THR HA H 559 3.858 3.902 -0.044 1
1 452 . 11 1 1 A 37 37 THR C C 559 176.419 176.673 -0.254 1
1 453 . 11 1 1 A 37 37 THR CA C 559 66.590 66.853 -0.263 1
1 454 . 11 1 1 A 37 37 THR CB C 559 68.001 68.899 -0.898 1
1 456 . 11 1 1 A 37 37 THR N N 559 115.835 113.534 2.301 1
1 457 . 11 1 1 A 38 38 ILE H H 560 8.109 8.247 -0.138 1
1 458 . 11 1 1 A 38 38 ILE HA H 560 3.698 3.784 -0.086 1
1 468 . 11 1 1 A 38 38 ILE C C 560 176.934 178.057 -1.123 1
1 469 . 11 1 1 A 38 38 ILE CA C 560 65.952 65.888 0.064 1
1 470 . 11 1 1 A 38 38 ILE CB C 560 38.252 37.753 0.499 1
1 474 . 11 1 1 A 38 38 ILE N N 560 121.886 121.678 0.208 1
1 475 . 11 1 1 A 39 39 GLN H H 561 8.425 8.506 -0.081 1
1 476 . 11 1 1 A 39 39 GLN HA H 561 3.809 4.143 -0.334 1
1 483 . 11 1 1 A 39 39 GLN C C 561 177.126 178.751 -1.625 1
1 484 . 11 1 1 A 39 39 GLN CA C 561 58.751 59.087 -0.336 1
1 485 . 11 1 1 A 39 39 GLN CB C 561 29.255 28.269 0.986 1
1 487 . 11 1 1 A 39 39 GLN N N 561 116.211 118.014 -1.803 1
1 489 . 11 1 1 A 40 40 ARG H H 562 7.334 8.087 -0.753 1
1 490 . 11 1 1 A 40 40 ARG HA H 562 4.092 4.076 0.016 1
1 497 . 11 1 1 A 40 40 ARG C C 562 177.186 178.663 -1.477 1
1 498 . 11 1 1 A 40 40 ARG CA C 562 57.837 59.313 -1.476 1
1 499 . 11 1 1 A 40 40 ARG CB C 562 30.668 29.941 0.727 1
1 502 . 11 1 1 A 40 40 ARG N N 562 116.464 120.775 -4.311 1
1 503 . 11 1 1 A 41 41 LYS H H 563 7.802 7.791 0.011 1
1 504 . 11 1 1 A 41 41 LYS HA H 563 3.926 3.928 -0.002 1
1 513 . 11 1 1 A 41 41 LYS C C 563 176.735 176.437 0.298 1
1 514 . 11 1 1 A 41 41 LYS CA C 563 57.866 58.650 -0.784 1
1 515 . 11 1 1 A 41 41 LYS CB C 563 33.314 32.324 0.990 1
1 519 . 11 1 1 A 41 41 LYS N N 563 118.658 119.671 -1.013 1
1 520 . 11 1 1 A 42 42 TYR H H 564 8.208 8.645 -0.437 1
1 521 . 11 1 1 A 42 42 TYR HA H 564 4.786 5.358 -0.572 1
1 528 . 11 1 1 A 42 42 TYR C C 564 174.346 176.311 -1.965 1
1 529 . 11 1 1 A 42 42 TYR CA C 564 55.497 56.005 -0.508 1
1 530 . 11 1 1 A 42 42 TYR CB C 564 36.075 38.205 -2.130 1
1 533 . 11 1 1 A 42 42 TYR N N 564 121.157 117.161 3.996 1
1 534 . 11 1 1 A 43 43 LYS H H 565 7.212 8.251 -1.039 1
1 535 . 11 1 1 A 43 43 LYS HA H 565 4.081 4.155 -0.074 1
1 544 . 11 1 1 A 43 43 LYS C C 565 179.082 178.575 0.507 1
1 545 . 11 1 1 A 43 43 LYS CA C 565 58.075 59.308 -1.233 1
1 546 . 11 1 1 A 43 43 LYS CB C 565 32.157 32.163 -0.006 1
1 550 . 11 1 1 A 43 43 LYS N N 565 119.412 123.581 -4.169 1
1 551 . 11 1 1 A 44 44 GLY H H 566 9.179 8.348 0.831 1
1 552 . 11 1 1 A 44 44 GLY HA2 H 566 3.607 3.849 -0.242 1
1 553 . 11 1 1 A 44 44 GLY HA3 H 566 4.252 3.931 0.321 1
1 554 . 11 1 1 A 44 44 GLY C C 566 173.990 174.116 -0.126 1
1 555 . 11 1 1 A 44 44 GLY CA C 566 44.860 46.282 -1.422 1
1 556 . 11 1 1 A 44 44 GLY N N 566 114.958 106.948 8.010 1
1 557 . 11 1 1 A 45 45 ILE H H 567 7.604 7.057 0.547 1
1 558 . 11 1 1 A 45 45 ILE HA H 567 2.533 3.902 -1.369 1
1 568 . 11 1 1 A 45 45 ILE C C 567 172.893 174.772 -1.879 1
1 569 . 11 1 1 A 45 45 ILE CA C 567 61.754 60.938 0.816 1
1 570 . 11 1 1 A 45 45 ILE CB C 567 38.302 38.610 -0.308 1
1 574 . 11 1 1 A 45 45 ILE N N 567 122.496 121.489 1.007 1
1 575 . 11 1 1 A 46 46 LYS H H 568 7.733 8.499 -0.766 1
1 576 . 11 1 1 A 46 46 LYS HA H 568 4.307 4.767 -0.460 1
1 585 . 11 1 1 A 46 46 LYS C C 568 174.772 175.796 -1.024 1
1 586 . 11 1 1 A 46 46 LYS CA C 568 54.069 54.717 -0.648 1
1 587 . 11 1 1 A 46 46 LYS CB C 568 31.741 35.093 -3.352 1
1 591 . 11 1 1 A 46 46 LYS N N 568 128.712 126.749 1.963 1
1 592 . 11 1 1 A 47 47 ILE H H 569 8.081 8.634 -0.553 1
1 593 . 11 1 1 A 47 47 ILE HA H 569 3.166 3.715 -0.549 1
1 603 . 11 1 1 A 47 47 ILE CA C 569 61.564 61.844 -0.280 1
1 604 . 11 1 1 A 47 47 ILE CB C 569 36.718 37.373 -0.655 1
1 608 . 11 1 1 A 47 47 ILE N N 569 124.424 124.580 -0.156 1
1 609 . 11 1 1 A 48 48 GLN H H 570 6.700 8.762 -2.062 1
1 610 . 11 1 1 A 48 48 GLN HA H 570 4.205 4.878 -0.673 1
1 617 . 11 1 1 A 48 48 GLN CA C 570 53.129 54.197 -1.068 1
1 618 . 11 1 1 A 48 48 GLN CB C 570 31.211 31.384 -0.173 1
1 620 . 11 1 1 A 48 48 GLN N N 570 122.748 126.790 -4.042 1
1 622 . 11 1 1 A 49 49 GLU H H 571 8.218 8.585 -0.367 1
1 623 . 11 1 1 A 49 49 GLU HA H 571 3.727 4.624 -0.897 1
1 628 . 11 1 1 A 49 49 GLU CA C 571 57.976 56.472 1.504 1
1 629 . 11 1 1 A 49 49 GLU CB C 571 30.954 28.471 2.483 1
1 631 . 11 1 1 A 49 49 GLU N N 571 116.531 122.165 -5.634 1
1 632 . 11 1 1 A 50 50 GLY H H 572 8.967 7.803 1.164 1
1 633 . 11 1 1 A 50 50 GLY HA2 H 572 2.810 4.362 -1.552 1
1 634 . 11 1 1 A 50 50 GLY HA3 H 572 4.198 4.417 -0.219 1
1 635 . 11 1 1 A 50 50 GLY CA C 572 43.607 45.935 -2.328 1
1 636 . 11 1 1 A 50 50 GLY N N 572 111.469 110.968 0.501 1
1 637 . 11 1 1 A 51 51 ILE H H 573 8.410 8.757 -0.347 1
1 638 . 11 1 1 A 51 51 ILE HA H 573 4.916 4.605 0.311 1
1 648 . 11 1 1 A 51 51 ILE CA C 573 61.137 62.202 -1.065 1
1 649 . 11 1 1 A 51 51 ILE CB C 573 38.165 37.834 0.331 1
1 653 . 11 1 1 A 51 51 ILE N N 573 120.591 122.442 -1.851 1
1 654 . 11 1 1 A 52 52 VAL H H 574 8.900 9.337 -0.437 1
1 655 . 11 1 1 A 52 52 VAL HA H 574 4.073 4.739 -0.666 1
1 663 . 11 1 1 A 52 52 VAL CA C 574 62.516 61.475 1.041 1
1 664 . 11 1 1 A 52 52 VAL CB C 574 35.957 34.013 1.944 1
1 667 . 11 1 1 A 52 52 VAL N N 574 131.435 129.054 2.381 1
1 668 . 11 1 1 A 53 53 ASP H H 575 8.731 9.159 -0.428 1
1 669 . 11 1 1 A 53 53 ASP HA H 575 4.953 4.772 0.181 1
1 672 . 11 1 1 A 53 53 ASP CA C 575 52.137 53.408 -1.271 1
1 673 . 11 1 1 A 53 53 ASP CB C 575 40.659 39.735 0.924 1
1 674 . 11 1 1 A 53 53 ASP N N 575 126.463 128.938 -2.475 1
1 675 . 11 1 1 A 54 54 TYR H H 576 8.639 8.597 0.042 1
1 676 . 11 1 1 A 54 54 TYR HA H 576 4.407 4.873 -0.466 1
1 683 . 11 1 1 A 54 54 TYR CA C 576 57.833 57.591 0.242 1
1 684 . 11 1 1 A 54 54 TYR CB C 576 38.634 40.898 -2.264 1
1 687 . 11 1 1 A 54 54 TYR N N 576 131.097 126.708 4.389 1
1 688 . 11 1 1 A 55 55 GLY H H 577 8.388 8.805 -0.417 1
1 689 . 11 1 1 A 55 55 GLY HA2 H 577 3.056 3.829 -0.773 1
1 690 . 11 1 1 A 55 55 GLY HA3 H 577 4.307 3.881 0.426 1
1 691 . 11 1 1 A 55 55 GLY CA C 577 46.347 45.732 0.615 1
1 692 . 11 1 1 A 55 55 GLY N N 577 115.719 116.417 -0.698 1
1 693 . 11 1 1 A 56 56 VAL H H 578 7.143 7.251 -0.108 1
1 694 . 11 1 1 A 56 56 VAL HA H 578 3.410 4.338 -0.928 1
1 702 . 11 1 1 A 56 56 VAL CA C 578 60.335 58.793 1.542 1
1 703 . 11 1 1 A 56 56 VAL CB C 578 35.027 34.461 0.566 1
1 706 . 11 1 1 A 56 56 VAL N N 578 124.853 121.100 3.753 1
1 707 . 11 1 1 A 57 57 ARG H H 579 8.091 8.178 -0.087 1
1 708 . 11 1 1 A 57 57 ARG HA H 579 4.292 4.382 -0.090 1
1 715 . 11 1 1 A 57 57 ARG CA C 579 55.039 55.297 -0.258 1
1 716 . 11 1 1 A 57 57 ARG CB C 579 29.224 29.765 -0.541 1
1 719 . 11 1 1 A 57 57 ARG N N 579 124.754 126.262 -1.508 1
1 720 . 11 1 1 A 58 58 PHE H H 580 8.499 9.180 -0.681 1
1 721 . 11 1 1 A 58 58 PHE HA H 580 4.647 4.837 -0.190 1
1 729 . 11 1 1 A 58 58 PHE CA C 580 57.563 57.353 0.210 1
1 730 . 11 1 1 A 58 58 PHE CB C 580 42.026 40.392 1.634 1
1 734 . 11 1 1 A 58 58 PHE N N 580 124.105 125.578 -1.473 1
1 735 . 11 1 1 A 59 59 PHE H H 581 7.683 8.663 -0.980 1
1 736 . 11 1 1 A 59 59 PHE HA H 581 4.689 5.072 -0.383 1
1 743 . 11 1 1 A 59 59 PHE CA C 581 56.662 56.244 0.418 1
1 744 . 11 1 1 A 59 59 PHE CB C 581 41.024 39.844 1.180 1
1 747 . 11 1 1 A 59 59 PHE N N 581 119.707 122.926 -3.219 1
1 748 . 11 1 1 A 60 60 PHE H H 582 8.898 8.409 0.489 1
1 749 . 11 1 1 A 60 60 PHE HA H 582 5.563 5.040 0.523 1
1 757 . 11 1 1 A 60 60 PHE CA C 582 57.615 59.070 -1.455 1
1 758 . 11 1 1 A 60 60 PHE CB C 582 39.539 40.366 -0.827 1
1 762 . 11 1 1 A 60 60 PHE N N 582 127.157 126.114 1.043 1
1 763 . 11 1 1 A 61 61 TYR H H 583 8.441 8.916 -0.475 1
1 764 . 11 1 1 A 61 61 TYR HA H 583 5.301 5.430 -0.129 1
1 771 . 11 1 1 A 61 61 TYR CA C 583 54.556 55.549 -0.993 1
1 772 . 11 1 1 A 61 61 TYR CB C 583 41.444 41.123 0.321 1
1 775 . 11 1 1 A 61 61 TYR N N 583 119.072 119.136 -0.064 1
1 776 . 11 1 1 A 62 62 THR H H 584 9.444 8.612 0.832 1
1 777 . 11 1 1 A 62 62 THR HA H 584 4.680 4.946 -0.266 1
1 782 . 11 1 1 A 62 62 THR CA C 584 59.784 60.190 -0.406 1
1 783 . 11 1 1 A 62 62 THR CB C 584 71.274 70.413 0.861 1
1 785 . 11 1 1 A 62 62 THR N N 584 113.469 113.007 0.462 1
1 786 . 11 1 1 A 63 63 SER H H 585 9.092 9.025 0.067 1
1 787 . 11 1 1 A 63 63 SER HA H 585 4.685 3.929 0.756 1
1 790 . 11 1 1 A 63 63 SER CA C 585 59.665 60.797 -1.132 1
1 791 . 11 1 1 A 63 63 SER CB C 585 62.835 62.897 -0.062 1
1 792 . 11 1 1 A 63 63 SER N N 585 114.155 119.653 -5.498 1
1 793 . 11 1 1 A 64 64 LYS H H 586 7.484 7.773 -0.289 1
1 794 . 11 1 1 A 64 64 LYS HA H 586 4.074 4.249 -0.175 1
1 803 . 11 1 1 A 64 64 LYS CA C 586 55.960 58.298 -2.338 1
1 804 . 11 1 1 A 64 64 LYS CB C 586 32.662 32.823 -0.161 1
1 808 . 11 1 1 A 64 64 LYS N N 586 118.230 119.179 -0.949 1
1 809 . 11 1 1 A 65 65 GLU H H 587 7.194 7.410 -0.216 1
1 810 . 11 1 1 A 65 65 GLU HA H 587 4.584 4.565 0.019 1
1 815 . 11 1 1 A 65 65 GLU CA C 587 53.443 55.275 -1.832 1
1 816 . 11 1 1 A 65 65 GLU CB C 587 30.381 29.061 1.320 1
1 818 . 11 1 1 A 65 65 GLU N N 587 124.837 119.981 4.856 1
1 819 . 11 1 1 A 66 66 PRO HA H 588 4.506 4.558 -0.052 1
1 826 . 11 1 1 A 66 66 PRO CA C 588 62.620 63.266 -0.646 1
1 827 . 11 1 1 A 66 66 PRO CB C 588 32.368 32.361 0.007 1
1 830 . 11 1 1 A 67 67 VAL H H 589 8.545 8.362 0.183 1
1 831 . 11 1 1 A 67 67 VAL HA H 589 3.136 3.189 -0.053 1
1 839 . 11 1 1 A 67 67 VAL CA C 589 66.588 66.279 0.309 1
1 840 . 11 1 1 A 67 67 VAL CB C 589 30.979 31.226 -0.247 1
1 843 . 11 1 1 A 67 67 VAL N N 589 123.156 123.387 -0.231 1
1 844 . 11 1 1 A 68 68 ALA H H 590 8.700 8.385 0.315 1
1 845 . 11 1 1 A 68 68 ALA HA H 590 3.953 3.982 -0.029 1
1 849 . 11 1 1 A 68 68 ALA CA C 590 54.867 55.496 -0.629 1
1 850 . 11 1 1 A 68 68 ALA CB C 590 18.134 18.562 -0.428 1
1 851 . 11 1 1 A 68 68 ALA N N 590 118.895 122.682 -3.787 1
1 852 . 11 1 1 A 69 69 SER H H 591 6.961 8.093 -1.132 1
1 853 . 11 1 1 A 69 69 SER HA H 591 4.195 4.165 0.030 1
1 856 . 11 1 1 A 69 69 SER CA C 591 60.029 61.550 -1.521 1
1 857 . 11 1 1 A 69 69 SER CB C 591 62.045 63.070 -1.025 1
1 858 . 11 1 1 A 69 69 SER N N 591 111.445 112.479 -1.034 1
1 859 . 11 1 1 A 70 70 ILE H H 592 7.386 7.898 -0.512 1
1 860 . 11 1 1 A 70 70 ILE HA H 592 3.361 3.558 -0.197 1
1 870 . 11 1 1 A 70 70 ILE CA C 592 65.332 64.316 1.016 1
1 871 . 11 1 1 A 70 70 ILE CB C 592 38.427 37.602 0.825 1
1 875 . 11 1 1 A 70 70 ILE N N 592 122.407 120.968 1.439 1
1 876 . 11 1 1 A 71 71 ILE H H 593 8.332 8.276 0.056 1
1 877 . 11 1 1 A 71 71 ILE HA H 593 3.256 3.590 -0.334 1
1 887 . 11 1 1 A 71 71 ILE CA C 593 65.023 64.820 0.203 1
1 888 . 11 1 1 A 71 71 ILE CB C 593 36.662 37.182 -0.520 1
1 892 . 11 1 1 A 71 71 ILE N N 593 117.779 120.903 -3.124 1
1 893 . 11 1 1 A 72 72 THR H H 594 7.834 8.320 -0.486 1
1 894 . 11 1 1 A 72 72 THR HA H 594 3.845 3.918 -0.073 1
1 899 . 11 1 1 A 72 72 THR CA C 594 67.376 66.975 0.401 1
1 900 . 11 1 1 A 72 72 THR CB C 594 68.291 68.415 -0.124 1
1 902 . 11 1 1 A 72 72 THR N N 594 117.154 117.591 -0.437 1
1 903 . 11 1 1 A 73 73 LYS H H 595 7.803 7.622 0.181 1
1 904 . 11 1 1 A 73 73 LYS HA H 595 3.936 4.073 -0.137 1
1 913 . 11 1 1 A 73 73 LYS CA C 595 59.853 59.721 0.132 1
1 914 . 11 1 1 A 73 73 LYS CB C 595 32.531 32.673 -0.142 1
1 918 . 11 1 1 A 73 73 LYS N N 595 122.657 120.709 1.948 1
1 919 . 11 1 1 A 74 74 LEU H H 596 8.088 7.891 0.197 1
1 920 . 11 1 1 A 74 74 LEU HA H 596 3.681 3.990 -0.309 1
1 930 . 11 1 1 A 74 74 LEU CA C 596 57.217 58.140 -0.923 1
1 931 . 11 1 1 A 74 74 LEU CB C 596 41.122 41.522 -0.400 1
1 935 . 11 1 1 A 74 74 LEU N N 596 119.593 120.039 -0.446 1
1 936 . 11 1 1 A 75 75 ASN H H 597 8.949 8.705 0.244 1
1 937 . 11 1 1 A 75 75 ASN HA H 597 4.471 4.367 0.104 1
1 942 . 11 1 1 A 75 75 ASN CA C 597 54.735 56.578 -1.843 1
1 943 . 11 1 1 A 75 75 ASN CB C 597 37.074 38.154 -1.080 1
1 944 . 11 1 1 A 75 75 ASN N N 597 121.103 118.469 2.634 1
1 946 . 11 1 1 A 76 76 SER H H 598 7.927 8.590 -0.663 1
1 947 . 11 1 1 A 76 76 SER HA H 598 4.137 4.176 -0.039 1
1 950 . 11 1 1 A 76 76 SER CA C 598 60.952 61.544 -0.592 1
1 951 . 11 1 1 A 76 76 SER CB C 598 62.516 62.283 0.233 1
1 952 . 11 1 1 A 76 76 SER N N 598 116.716 114.643 2.073 1
1 953 . 11 1 1 A 77 77 LEU H H 599 7.543 7.505 0.038 1
1 954 . 11 1 1 A 77 77 LEU HA H 599 3.974 3.978 -0.004 1
1 964 . 11 1 1 A 77 77 LEU CA C 599 57.200 57.750 -0.550 1
1 965 . 11 1 1 A 77 77 LEU CB C 599 41.749 41.913 -0.164 1
1 969 . 11 1 1 A 77 77 LEU N N 599 121.292 122.076 -0.784 1
1 970 . 11 1 1 A 78 78 ASN H H 600 7.755 8.242 -0.487 1
1 971 . 11 1 1 A 78 78 ASN HA H 600 4.114 4.345 -0.231 1
1 976 . 11 1 1 A 78 78 ASN CA C 600 53.603 54.087 -0.484 1
1 977 . 11 1 1 A 78 78 ASN CB C 600 37.688 37.136 0.552 1
1 978 . 11 1 1 A 78 78 ASN N N 600 113.272 117.798 -4.526 1
1 980 . 11 1 1 A 79 79 GLU H H 601 8.389 7.927 0.462 1
1 981 . 11 1 1 A 79 79 GLU HA H 601 4.675 4.774 -0.099 1
1 986 . 11 1 1 A 79 79 GLU CA C 601 53.418 52.817 0.601 1
1 987 . 11 1 1 A 79 79 GLU CB C 601 30.704 30.524 0.180 1
1 989 . 11 1 1 A 79 79 GLU N N 601 118.840 118.337 0.503 1
1 990 . 11 1 1 A 80 80 PRO HA H 602 4.771 4.652 0.119 1
1 997 . 11 1 1 A 80 80 PRO CA C 602 62.189 62.766 -0.577 1
1 998 . 11 1 1 A 80 80 PRO CB C 602 32.196 31.824 0.372 1
1 1001 . 11 1 1 A 81 81 LEU H H 603 8.539 8.639 -0.100 1
1 1002 . 11 1 1 A 81 81 LEU HA H 603 5.766 5.138 0.628 1
1 1012 . 11 1 1 A 81 81 LEU CA C 603 53.432 53.675 -0.243 1
1 1013 . 11 1 1 A 81 81 LEU CB C 603 48.114 43.656 4.458 1
1 1017 . 11 1 1 A 81 81 LEU N N 603 118.455 123.825 -5.370 1
1 1018 . 11 1 1 A 82 82 VAL H H 604 8.322 8.332 -0.010 1
1 1019 . 11 1 1 A 82 82 VAL HA H 604 5.110 4.841 0.269 1
1 1027 . 11 1 1 A 82 82 VAL CA C 604 59.609 60.991 -1.382 1
1 1028 . 11 1 1 A 82 82 VAL CB C 604 34.100 33.628 0.472 1
1 1031 . 11 1 1 A 82 82 VAL N N 604 121.259 120.420 0.839 1
1 1032 . 11 1 1 A 83 83 THR H H 605 8.570 8.662 -0.092 1
1 1033 . 11 1 1 A 83 83 THR HA H 605 5.107 4.814 0.293 1
1 1038 . 11 1 1 A 83 83 THR CA C 605 59.606 60.056 -0.450 1
1 1039 . 11 1 1 A 83 83 THR CB C 605 71.321 70.830 0.491 1
1 1041 . 11 1 1 A 83 83 THR N N 605 117.620 122.061 -4.441 1
1 1042 . 11 1 1 A 84 84 MET H H 606 8.288 8.665 -0.377 1
1 1043 . 11 1 1 A 84 84 MET HA H 606 5.310 4.617 0.693 1
1 1051 . 11 1 1 A 84 84 MET CA C 606 55.491 54.958 0.533 1
1 1052 . 11 1 1 A 84 84 MET CB C 606 31.549 32.616 -1.067 1
1 1055 . 11 1 1 A 84 84 MET N N 606 125.405 122.214 3.191 1
1 1056 . 11 1 1 A 85 85 PRO HA H 607 4.048 4.630 -0.582 1
1 1063 . 11 1 1 A 85 85 PRO CA C 607 63.608 63.033 0.575 1
1 1064 . 11 1 1 A 85 85 PRO CB C 607 31.291 32.031 -0.740 1
1 1067 . 11 1 1 A 86 86 ILE H H 608 8.326 8.570 -0.244 1
1 1068 . 11 1 1 A 86 86 ILE HA H 608 3.423 4.268 -0.845 1
1 1078 . 11 1 1 A 86 86 ILE CA C 608 63.457 63.913 -0.456 1
1 1079 . 11 1 1 A 86 86 ILE CB C 608 35.800 38.371 -2.571 1
1 1083 . 11 1 1 A 86 86 ILE N N 608 133.106 119.780 13.326 1
1 1084 . 11 1 1 A 87 87 GLY H H 609 8.549 7.867 0.682 1
1 1085 . 11 1 1 A 87 87 GLY HA2 H 609 3.448 3.367 0.081 1
1 1086 . 11 1 1 A 87 87 GLY HA3 H 609 4.101 3.376 0.725 1
1 1087 . 11 1 1 A 87 87 GLY CA C 609 44.556 46.625 -2.069 1
1 1088 . 11 1 1 A 87 87 GLY N N 609 111.653 108.902 2.751 1
1 1089 . 11 1 1 A 88 88 TYR H H 610 7.224 8.357 -1.133 1
1 1090 . 11 1 1 A 88 88 TYR HA H 610 4.437 4.959 -0.522 1
1 1097 . 11 1 1 A 88 88 TYR CA C 610 57.670 56.400 1.270 1
1 1098 . 11 1 1 A 88 88 TYR CB C 610 38.604 40.967 -2.363 1
1 1101 . 11 1 1 A 88 88 TYR N N 610 121.537 124.438 -2.901 1
1 1102 . 11 1 1 A 89 89 VAL H H 611 8.953 7.991 0.962 1
1 1103 . 11 1 1 A 89 89 VAL HA H 611 3.065 3.612 -0.547 1
1 1111 . 11 1 1 A 89 89 VAL CA C 611 70.009 66.022 3.987 1
1 1112 . 11 1 1 A 89 89 VAL CB C 611 30.422 31.096 -0.674 1
1 1115 . 11 1 1 A 89 89 VAL N N 611 128.074 120.055 8.019 1
1 1116 . 11 1 1 A 90 90 THR H H 612 9.348 8.182 1.166 1
1 1117 . 11 1 1 A 90 90 THR HA H 612 3.810 4.028 -0.218 1
1 1122 . 11 1 1 A 90 90 THR CA C 612 64.727 65.698 -0.971 1
1 1123 . 11 1 1 A 90 90 THR CB C 612 68.005 67.792 0.213 1
1 1125 . 11 1 1 A 90 90 THR N N 612 117.972 114.771 3.201 1
1 1126 . 11 1 1 A 91 91 HIS H H 613 7.651 7.979 -0.328 1
1 1127 . 11 1 1 A 91 91 HIS HA H 613 4.685 4.534 0.151 1
1 1131 . 11 1 1 A 91 91 HIS CA C 613 55.419 56.085 -0.666 1
1 1132 . 11 1 1 A 91 91 HIS CB C 613 29.092 29.945 -0.853 1
1 1134 . 11 1 1 A 91 91 HIS N N 613 119.034 118.408 0.626 1
1 1135 . 11 1 1 A 92 92 GLY H H 614 7.655 8.043 -0.388 1
1 1136 . 11 1 1 A 92 92 GLY HA2 H 614 3.665 3.880 -0.215 1
1 1137 . 11 1 1 A 92 92 GLY HA3 H 614 4.095 3.941 0.154 1
1 1138 . 11 1 1 A 92 92 GLY CA C 614 45.035 46.048 -1.013 1
1 1139 . 11 1 1 A 92 92 GLY N N 614 106.031 108.355 -2.324 1
1 1140 . 11 1 1 A 93 93 PHE H H 615 6.716 8.386 -1.670 1
1 1141 . 11 1 1 A 93 93 PHE HA H 615 5.244 4.534 0.710 1
1 1149 . 11 1 1 A 93 93 PHE CA C 615 53.904 58.130 -4.226 1
1 1150 . 11 1 1 A 93 93 PHE CB C 615 38.587 39.566 -0.979 1
1 1154 . 11 1 1 A 93 93 PHE N N 615 116.220 119.673 -3.453 1
1 1155 . 11 1 1 A 94 94 ASN H H 616 9.141 8.593 0.548 1
1 1156 . 11 1 1 A 94 94 ASN HA H 616 4.956 4.964 -0.008 1
1 1161 . 11 1 1 A 94 94 ASN CA C 616 51.278 51.954 -0.676 1
1 1162 . 11 1 1 A 94 94 ASN CB C 616 37.692 40.594 -2.902 1
1 1163 . 11 1 1 A 94 94 ASN N N 616 122.153 121.045 1.108 1
1 1165 . 11 1 1 A 95 95 LEU H H 617 8.684 8.922 -0.238 1
1 1166 . 11 1 1 A 95 95 LEU HA H 617 3.831 4.198 -0.367 1
1 1176 . 11 1 1 A 95 95 LEU CA C 617 58.457 58.393 0.064 1
1 1177 . 11 1 1 A 95 95 LEU CB C 617 41.985 41.856 0.129 1
1 1181 . 11 1 1 A 95 95 LEU N N 617 119.153 126.085 -6.932 1
1 1182 . 11 1 1 A 96 96 GLU H H 618 7.747 7.843 -0.096 1
1 1183 . 11 1 1 A 96 96 GLU HA H 618 2.864 2.996 -0.132 1
1 1188 . 11 1 1 A 96 96 GLU CA C 618 59.402 59.270 0.132 1
1 1189 . 11 1 1 A 96 96 GLU CB C 618 28.323 28.462 -0.139 1
1 1191 . 11 1 1 A 96 96 GLU N N 618 120.199 118.679 1.520 1
1 1192 . 11 1 1 A 97 97 GLU H H 619 8.503 7.936 0.567 1
1 1193 . 11 1 1 A 97 97 GLU HA H 619 3.497 3.908 -0.411 1
1 1198 . 11 1 1 A 97 97 GLU CA C 619 58.251 58.732 -0.481 1
1 1199 . 11 1 1 A 97 97 GLU CB C 619 29.073 29.801 -0.728 1
1 1201 . 11 1 1 A 97 97 GLU N N 619 118.988 118.667 0.321 1
1 1202 . 11 1 1 A 98 98 ALA H H 620 8.311 8.634 -0.323 1
1 1203 . 11 1 1 A 98 98 ALA HA H 620 4.211 4.477 -0.266 1
1 1207 . 11 1 1 A 98 98 ALA CA C 620 54.717 55.288 -0.571 1
1 1208 . 11 1 1 A 98 98 ALA CB C 620 18.635 18.363 0.272 1
1 1209 . 11 1 1 A 98 98 ALA N N 620 121.102 123.346 -2.244 1
1 1210 . 11 1 1 A 99 99 ALA H H 621 8.570 8.166 0.404 1
1 1211 . 11 1 1 A 99 99 ALA HA H 621 3.831 3.626 0.205 1
1 1215 . 11 1 1 A 99 99 ALA CA C 621 55.004 55.059 -0.055 1
1 1216 . 11 1 1 A 99 99 ALA CB C 621 18.548 17.692 0.856 1
1 1217 . 11 1 1 A 99 99 ALA N N 621 121.431 119.316 2.115 1
1 1218 . 11 1 1 A 100 100 ARG H H 622 7.646 8.486 -0.840 1
1 1219 . 11 1 1 A 100 100 ARG HA H 622 3.636 4.048 -0.412 1
1 1226 . 11 1 1 A 100 100 ARG CA C 622 59.556 59.719 -0.163 1
1 1227 . 11 1 1 A 100 100 ARG CB C 622 29.420 29.981 -0.561 1
1 1230 . 11 1 1 A 100 100 ARG N N 622 114.812 117.165 -2.353 1
1 1231 . 11 1 1 A 101 101 CYS H H 623 7.503 8.162 -0.659 1
1 1232 . 11 1 1 A 101 101 CYS HA H 623 4.081 4.246 -0.165 1
1 1235 . 11 1 1 A 101 101 CYS CA C 623 62.364 62.283 0.081 1
1 1236 . 11 1 1 A 101 101 CYS CB C 623 26.301 27.408 -1.107 1
1 1237 . 11 1 1 A 101 101 CYS N N 623 118.667 119.286 -0.619 1
1 1238 . 11 1 1 A 102 102 MET H H 624 8.332 8.334 -0.002 1
1 1239 . 11 1 1 A 102 102 MET HA H 624 4.165 4.282 -0.117 1
1 1247 . 11 1 1 A 102 102 MET CA C 624 55.808 57.628 -1.820 1
1 1248 . 11 1 1 A 102 102 MET CB C 624 30.500 31.233 -0.733 1
1 1251 . 11 1 1 A 102 102 MET N N 624 119.480 119.268 0.212 1
1 1252 . 11 1 1 A 103 103 ARG H H 625 7.505 7.609 -0.104 1
1 1253 . 11 1 1 A 103 103 ARG HA H 625 4.022 4.213 -0.191 1
1 1260 . 11 1 1 A 103 103 ARG CA C 625 58.658 59.177 -0.519 1
1 1261 . 11 1 1 A 103 103 ARG CB C 625 30.413 29.814 0.599 1
1 1264 . 11 1 1 A 103 103 ARG N N 625 120.614 119.079 1.535 1
1 1265 . 11 1 1 A 104 104 SER H H 626 7.635 8.016 -0.381 1
1 1266 . 11 1 1 A 104 104 SER HA H 626 4.278 4.544 -0.266 1
1 1269 . 11 1 1 A 104 104 SER CA C 626 58.925 58.361 0.564 1
1 1270 . 11 1 1 A 104 104 SER CB C 626 63.785 63.808 -0.023 1
1 1271 . 11 1 1 A 104 104 SER N N 626 111.144 112.796 -1.652 1
1 1272 . 11 1 1 A 105 105 LEU H H 627 7.602 7.583 0.019 1
1 1273 . 11 1 1 A 105 105 LEU HA H 627 4.387 4.580 -0.193 1
1 1283 . 11 1 1 A 105 105 LEU CA C 627 55.025 55.443 -0.418 1
1 1284 . 11 1 1 A 105 105 LEU CB C 627 42.360 42.790 -0.430 1
1 1288 . 11 1 1 A 105 105 LEU N N 627 125.064 123.817 1.247 1
1 1289 . 11 1 1 A 106 106 LYS H H 628 9.724 9.088 0.636 1
1 1290 . 11 1 1 A 106 106 LYS HA H 628 4.244 4.610 -0.366 1
1 1299 . 11 1 1 A 106 106 LYS CA C 628 54.781 55.765 -0.984 1
1 1300 . 11 1 1 A 106 106 LYS CB C 628 33.456 34.465 -1.009 1
1 1304 . 11 1 1 A 106 106 LYS N N 628 128.616 123.958 4.658 1
1 1305 . 11 1 1 A 107 107 ALA H H 629 6.593 7.612 -1.019 1
1 1306 . 11 1 1 A 107 107 ALA HA H 629 4.420 4.584 -0.164 1
1 1310 . 11 1 1 A 107 107 ALA CA C 629 50.003 50.952 -0.949 1
1 1311 . 11 1 1 A 107 107 ALA CB C 629 17.219 18.527 -1.308 1
1 1312 . 11 1 1 A 107 107 ALA N N 629 124.084 123.602 0.482 1
1 1313 . 11 1 1 A 108 108 PRO HA H 630 4.302 4.747 -0.445 1
1 1320 . 11 1 1 A 108 108 PRO CA C 630 62.816 62.462 0.354 1
1 1321 . 11 1 1 A 108 108 PRO CB C 630 31.743 32.858 -1.115 1
1 1324 . 11 1 1 A 109 109 ALA H H 631 7.898 8.266 -0.368 1
1 1325 . 11 1 1 A 109 109 ALA HA H 631 5.092 4.923 0.169 1
1 1329 . 11 1 1 A 109 109 ALA CA C 631 50.966 50.717 0.249 1
1 1330 . 11 1 1 A 109 109 ALA CB C 631 22.217 22.834 -0.617 1
1 1331 . 11 1 1 A 109 109 ALA N N 631 122.466 120.820 1.646 1
1 1332 . 11 1 1 A 110 110 VAL H H 632 8.071 8.820 -0.749 1
1 1333 . 11 1 1 A 110 110 VAL HA H 632 4.167 4.406 -0.239 1
1 1341 . 11 1 1 A 110 110 VAL CA C 632 61.685 62.367 -0.682 1
1 1342 . 11 1 1 A 110 110 VAL CB C 632 32.856 31.697 1.159 1
1 1345 . 11 1 1 A 110 110 VAL N N 632 125.531 121.013 4.518 1
1 1346 . 11 1 1 A 111 111 VAL H H 633 8.182 8.707 -0.525 1
1 1347 . 11 1 1 A 111 111 VAL HA H 633 4.731 4.924 -0.193 1
1 1355 . 11 1 1 A 111 111 VAL CA C 633 59.473 61.022 -1.549 1
1 1356 . 11 1 1 A 111 111 VAL CB C 633 32.919 33.740 -0.821 1
1 1359 . 11 1 1 A 111 111 VAL N N 633 128.148 128.697 -0.549 1
1 1360 . 11 1 1 A 112 112 SER H H 634 8.591 8.616 -0.025 1
1 1361 . 11 1 1 A 112 112 SER HA H 634 4.920 5.176 -0.256 1
1 1364 . 11 1 1 A 112 112 SER CA C 634 53.905 56.277 -2.372 1
1 1365 . 11 1 1 A 112 112 SER CB C 634 64.651 65.199 -0.548 1
1 1366 . 11 1 1 A 112 112 SER N N 634 119.276 122.174 -2.898 1
1 1367 . 11 1 1 A 113 113 VAL H H 635 8.503 8.182 0.321 1
1 1368 . 11 1 1 A 113 113 VAL HA H 635 4.522 4.342 0.180 1
1 1376 . 11 1 1 A 113 113 VAL CA C 635 59.398 60.574 -1.176 1
1 1377 . 11 1 1 A 113 113 VAL CB C 635 32.548 34.315 -1.767 1
1 1380 . 11 1 1 A 113 113 VAL N N 635 118.886 122.846 -3.960 1
1 1381 . 11 1 1 A 114 114 SER H H 636 8.263 8.533 -0.270 1
1 1382 . 11 1 1 A 114 114 SER HA H 636 3.940 4.332 -0.392 1
1 1385 . 11 1 1 A 114 114 SER CA C 636 61.597 59.721 1.876 1
1 1386 . 11 1 1 A 114 114 SER CB C 636 63.321 63.561 -0.240 1
1 1387 . 11 1 1 A 114 114 SER N N 636 112.710 116.035 -3.325 1
1 1388 . 11 1 1 A 115 115 SER H H 637 7.269 7.553 -0.284 1
1 1389 . 11 1 1 A 115 115 SER HA H 637 4.956 4.944 0.012 1
1 1392 . 11 1 1 A 115 115 SER CA C 637 55.674 55.953 -0.279 1
1 1393 . 11 1 1 A 115 115 SER CB C 637 64.074 65.449 -1.375 1
1 1394 . 11 1 1 A 115 115 SER N N 637 114.537 112.072 2.465 1
1 1395 . 11 1 1 A 116 116 PRO HA H 638 4.186 4.434 -0.248 1
1 1402 . 11 1 1 A 116 116 PRO CA C 638 65.021 64.686 0.335 1
1 1403 . 11 1 1 A 116 116 PRO CB C 638 31.908 32.072 -0.164 1
1 1406 . 11 1 1 A 117 117 ASP H H 639 8.161 8.434 -0.273 1
1 1407 . 11 1 1 A 117 117 ASP HA H 639 4.359 4.442 -0.083 1
1 1410 . 11 1 1 A 117 117 ASP CA C 639 55.928 56.318 -0.390 1
1 1411 . 11 1 1 A 117 117 ASP CB C 639 40.088 40.133 -0.045 1
1 1412 . 11 1 1 A 117 117 ASP N N 639 116.310 117.306 -0.996 1
1 1413 . 11 1 1 A 118 118 ALA H H 640 7.596 7.843 -0.247 1
1 1414 . 11 1 1 A 118 118 ALA HA H 640 4.225 4.165 0.060 1
1 1418 . 11 1 1 A 118 118 ALA CA C 640 52.964 54.634 -1.670 1
1 1419 . 11 1 1 A 118 118 ALA CB C 640 18.334 18.406 -0.072 1
1 1420 . 11 1 1 A 118 118 ALA N N 640 121.066 122.505 -1.439 1
1 1421 . 11 1 1 A 119 119 VAL H H 641 7.280 7.665 -0.385 1
1 1422 . 11 1 1 A 119 119 VAL HA H 641 3.221 3.505 -0.284 1
1 1430 . 11 1 1 A 119 119 VAL CA C 641 66.608 66.891 -0.283 1
1 1431 . 11 1 1 A 119 119 VAL CB C 641 31.436 31.528 -0.092 1
1 1434 . 11 1 1 A 119 119 VAL N N 641 120.886 119.309 1.577 1
1 1435 . 11 1 1 A 120 120 THR H H 642 7.475 8.106 -0.631 1
1 1436 . 11 1 1 A 120 120 THR HA H 642 3.840 3.906 -0.066 1
1 1441 . 11 1 1 A 120 120 THR CA C 642 65.297 66.086 -0.789 1
1 1442 . 11 1 1 A 120 120 THR CB C 642 68.042 68.473 -0.431 1
1 1444 . 11 1 1 A 120 120 THR N N 642 112.821 114.981 -2.160 1
1 1445 . 11 1 1 A 121 121 THR H H 643 7.328 7.633 -0.305 1
1 1446 . 11 1 1 A 121 121 THR HA H 643 3.477 3.679 -0.202 1
1 1451 . 11 1 1 A 121 121 THR CA C 643 65.341 66.496 -1.155 1
1 1452 . 11 1 1 A 121 121 THR CB C 643 68.196 68.329 -0.133 1
1 1454 . 11 1 1 A 121 121 THR N N 643 119.194 117.363 1.831 1
1 1455 . 11 1 1 A 122 122 TYR H H 644 8.766 8.544 0.222 1
1 1456 . 11 1 1 A 122 122 TYR HA H 644 3.764 4.362 -0.598 1
1 1463 . 11 1 1 A 122 122 TYR CA C 644 62.340 61.988 0.352 1
1 1464 . 11 1 1 A 122 122 TYR CB C 644 39.106 38.615 0.491 1
1 1467 . 11 1 1 A 122 122 TYR N N 644 122.838 122.010 0.828 1
1 1468 . 11 1 1 A 123 123 ASN H H 645 8.290 8.544 -0.254 1
1 1469 . 11 1 1 A 123 123 ASN HA H 645 4.299 4.522 -0.223 1
1 1474 . 11 1 1 A 123 123 ASN CA C 645 55.018 56.109 -1.091 1
1 1475 . 11 1 1 A 123 123 ASN CB C 645 36.967 38.027 -1.060 1
1 1476 . 11 1 1 A 123 123 ASN N N 645 116.356 118.297 -1.941 1
1 1478 . 11 1 1 A 124 124 GLY H H 646 7.768 8.299 -0.531 1
1 1479 . 11 1 1 A 124 124 GLY HA2 H 646 3.639 3.500 0.139 1
1 1480 . 11 1 1 A 124 124 GLY HA3 H 646 3.707 3.622 0.085 1
1 1481 . 11 1 1 A 124 124 GLY CA C 646 46.521 47.107 -0.586 1
1 1482 . 11 1 1 A 124 124 GLY N N 646 108.260 108.575 -0.315 1
1 1483 . 11 1 1 A 125 125 TYR H H 647 7.386 7.878 -0.492 1
1 1484 . 11 1 1 A 125 125 TYR HA H 647 4.608 4.564 0.044 1
1 1491 . 11 1 1 A 125 125 TYR CA C 647 57.204 59.911 -2.707 1
1 1492 . 11 1 1 A 125 125 TYR CB C 647 37.557 37.996 -0.439 1
1 1495 . 11 1 1 A 125 125 TYR N N 647 120.587 121.488 -0.901 1
1 1496 . 11 1 1 A 126 126 LEU H H 648 7.802 7.580 0.222 1
1 1497 . 11 1 1 A 126 126 LEU HA H 648 3.801 4.161 -0.360 1
1 1507 . 11 1 1 A 126 126 LEU CA C 648 56.663 57.268 -0.605 1
1 1508 . 11 1 1 A 126 126 LEU CB C 648 42.298 42.213 0.085 1
1 1512 . 11 1 1 A 126 126 LEU N N 648 119.234 119.292 -0.058 1
1 1513 . 11 1 1 A 127 127 THR H H 649 7.473 8.041 -0.568 1
1 1514 . 11 1 1 A 127 127 THR HA H 649 4.238 4.645 -0.407 1
1 1519 . 11 1 1 A 127 127 THR CA C 649 61.868 62.801 -0.933 1
1 1520 . 11 1 1 A 127 127 THR CB C 649 69.451 72.136 -2.685 1
1 1522 . 11 1 1 A 127 127 THR N N 649 108.633 112.957 -4.324 1
1 1523 . 11 1 1 A 128 128 SER H H 650 7.696 8.203 -0.507 1
1 1524 . 11 1 1 A 128 128 SER HA H 650 4.439 4.562 -0.123 1
1 1527 . 11 1 1 A 128 128 SER CA C 650 58.451 58.112 0.339 1
1 1528 . 11 1 1 A 128 128 SER CB C 650 63.763 63.323 0.440 1
1 1529 . 11 1 1 A 128 128 SER N N 650 117.667 115.044 2.623 1
1 1 . 12 1 1 A 2 2 SER HA H -3 4.607 5.260 -0.653 1
1 4 . 12 1 1 A 2 2 SER C C -3 174.489 172.747 1.742 1
1 5 . 12 1 1 A 2 2 SER CA C -3 56.994 57.641 -0.647 1
1 6 . 12 1 1 A 2 2 SER CB C -3 64.641 65.141 -0.500 1
1 7 . 12 1 1 A 2 2 SER N N -3 115.970 118.433 -2.463 1
1 8 . 12 1 1 A 3 3 HIS H H -2 8.138 8.695 -0.557 1
1 9 . 12 1 1 A 3 3 HIS HA H -2 4.558 4.704 -0.146 1
1 13 . 12 1 1 A 3 3 HIS C C -2 176.502 175.239 1.263 1
1 14 . 12 1 1 A 3 3 HIS CA C -2 56.164 54.776 1.388 1
1 15 . 12 1 1 A 3 3 HIS CB C -2 30.643 29.428 1.215 1
1 17 . 12 1 1 A 3 3 HIS N N -2 122.640 127.131 -4.491 1
1 39 . 12 1 1 A 6 6 THR H H 528 7.755 8.714 -0.959 1
1 40 . 12 1 1 A 6 6 THR HA H 528 5.155 4.081 1.074 1
1 45 . 12 1 1 A 6 6 THR C C 528 174.544 174.083 0.461 1
1 46 . 12 1 1 A 6 6 THR CA C 528 60.657 63.154 -2.497 1
1 47 . 12 1 1 A 6 6 THR CB C 528 68.218 69.587 -1.369 1
1 49 . 12 1 1 A 6 6 THR N N 528 118.293 115.462 2.831 1
1 50 . 12 1 1 A 7 7 VAL H H 529 8.966 9.093 -0.127 1
1 51 . 12 1 1 A 7 7 VAL HA H 529 4.240 4.866 -0.626 1
1 59 . 12 1 1 A 7 7 VAL C C 529 174.012 174.079 -0.067 1
1 60 . 12 1 1 A 7 7 VAL CA C 529 58.309 58.818 -0.509 1
1 61 . 12 1 1 A 7 7 VAL CB C 529 35.661 35.947 -0.286 1
1 64 . 12 1 1 A 7 7 VAL N N 529 121.381 119.838 1.543 1
1 65 . 12 1 1 A 8 8 SER H H 530 8.193 8.861 -0.668 1
1 66 . 12 1 1 A 8 8 SER HA H 530 4.825 5.197 -0.372 1
1 69 . 12 1 1 A 8 8 SER C C 530 172.908 172.919 -0.011 1
1 70 . 12 1 1 A 8 8 SER CA C 530 55.790 56.691 -0.901 1
1 71 . 12 1 1 A 8 8 SER CB C 530 62.800 63.527 -0.727 1
1 72 . 12 1 1 A 8 8 SER N N 530 113.044 115.509 -2.465 1
1 73 . 12 1 1 A 9 9 TRP H H 531 7.595 8.941 -1.346 1
1 74 . 12 1 1 A 9 9 TRP HA H 531 5.353 5.148 0.205 1
1 83 . 12 1 1 A 9 9 TRP C C 531 177.031 176.287 0.744 1
1 84 . 12 1 1 A 9 9 TRP CA C 531 51.902 55.808 -3.906 1
1 85 . 12 1 1 A 9 9 TRP CB C 531 32.848 32.815 0.033 1
1 91 . 12 1 1 A 9 9 TRP N N 531 124.627 125.988 -1.361 1
1 93 . 12 1 1 A 10 10 ASN H H 532 9.312 8.691 0.621 1
1 94 . 12 1 1 A 10 10 ASN HA H 532 4.601 5.116 -0.515 1
1 99 . 12 1 1 A 10 10 ASN C C 532 175.214 175.162 0.052 1
1 100 . 12 1 1 A 10 10 ASN CA C 532 51.428 52.355 -0.927 1
1 101 . 12 1 1 A 10 10 ASN CB C 532 38.140 39.521 -1.381 1
1 102 . 12 1 1 A 10 10 ASN N N 532 121.842 120.136 1.706 1
1 104 . 12 1 1 A 11 11 LEU H H 533 8.503 8.516 -0.013 1
1 105 . 12 1 1 A 11 11 LEU HA H 533 4.086 4.005 0.081 1
1 115 . 12 1 1 A 11 11 LEU C C 533 178.309 178.500 -0.191 1
1 116 . 12 1 1 A 11 11 LEU CA C 533 58.491 58.794 -0.303 1
1 117 . 12 1 1 A 11 11 LEU CB C 533 41.525 41.780 -0.255 1
1 121 . 12 1 1 A 11 11 LEU N N 533 119.723 120.785 -1.062 1
1 122 . 12 1 1 A 12 12 ARG H H 534 8.057 8.306 -0.249 1
1 123 . 12 1 1 A 12 12 ARG HA H 534 3.840 4.039 -0.199 1
1 130 . 12 1 1 A 12 12 ARG C C 534 179.597 179.179 0.418 1
1 131 . 12 1 1 A 12 12 ARG CA C 534 59.873 59.445 0.428 1
1 132 . 12 1 1 A 12 12 ARG CB C 534 29.076 29.840 -0.764 1
1 135 . 12 1 1 A 12 12 ARG N N 534 117.711 118.953 -1.242 1
1 136 . 12 1 1 A 13 13 GLU H H 535 8.342 8.139 0.203 1
1 137 . 12 1 1 A 13 13 GLU HA H 535 3.724 4.015 -0.291 1
1 142 . 12 1 1 A 13 13 GLU C C 535 179.948 179.297 0.651 1
1 143 . 12 1 1 A 13 13 GLU CA C 535 58.753 58.907 -0.154 1
1 144 . 12 1 1 A 13 13 GLU CB C 535 29.402 29.255 0.147 1
1 146 . 12 1 1 A 13 13 GLU N N 535 121.501 119.725 1.776 1
1 147 . 12 1 1 A 14 14 MET H H 536 8.684 8.291 0.393 1
1 148 . 12 1 1 A 14 14 MET HA H 536 3.945 4.391 -0.446 1
1 156 . 12 1 1 A 14 14 MET C C 536 177.364 179.108 -1.744 1
1 157 . 12 1 1 A 14 14 MET CA C 536 60.550 58.812 1.738 1
1 158 . 12 1 1 A 14 14 MET CB C 536 34.412 32.941 1.471 1
1 161 . 12 1 1 A 14 14 MET N N 536 120.565 120.071 0.494 1
1 162 . 12 1 1 A 15 15 LEU H H 537 8.731 8.237 0.494 1
1 163 . 12 1 1 A 15 15 LEU HA H 537 3.970 4.154 -0.184 1
1 173 . 12 1 1 A 15 15 LEU C C 537 178.544 178.688 -0.144 1
1 174 . 12 1 1 A 15 15 LEU CA C 537 57.723 57.975 -0.252 1
1 175 . 12 1 1 A 15 15 LEU CB C 537 41.396 41.866 -0.470 1
1 179 . 12 1 1 A 15 15 LEU N N 537 118.710 120.020 -1.310 1
1 180 . 12 1 1 A 16 16 ALA H H 538 7.816 8.454 -0.638 1
1 181 . 12 1 1 A 16 16 ALA HA H 538 4.026 4.108 -0.082 1
1 185 . 12 1 1 A 16 16 ALA C C 538 180.374 179.683 0.691 1
1 186 . 12 1 1 A 16 16 ALA CA C 538 54.734 54.797 -0.063 1
1 187 . 12 1 1 A 16 16 ALA CB C 538 17.670 18.484 -0.814 1
1 188 . 12 1 1 A 16 16 ALA N N 538 120.155 120.498 -0.343 1
1 189 . 12 1 1 A 17 17 HIS H H 539 7.715 8.463 -0.748 1
1 190 . 12 1 1 A 17 17 HIS HA H 539 4.180 4.192 -0.012 1
1 194 . 12 1 1 A 17 17 HIS C C 539 179.167 177.083 2.084 1
1 195 . 12 1 1 A 17 17 HIS CA C 539 59.392 59.738 -0.346 1
1 196 . 12 1 1 A 17 17 HIS CB C 539 29.094 29.579 -0.485 1
1 198 . 12 1 1 A 17 17 HIS N N 539 117.446 118.105 -0.659 1
1 199 . 12 1 1 A 18 18 ALA H H 540 8.995 8.551 0.444 1
1 200 . 12 1 1 A 18 18 ALA HA H 540 3.656 3.966 -0.310 1
1 204 . 12 1 1 A 18 18 ALA C C 540 180.803 179.561 1.242 1
1 205 . 12 1 1 A 18 18 ALA CA C 540 55.762 55.242 0.520 1
1 206 . 12 1 1 A 18 18 ALA CB C 540 18.380 18.034 0.346 1
1 207 . 12 1 1 A 18 18 ALA N N 540 124.222 121.232 2.990 1
1 208 . 12 1 1 A 19 19 GLU H H 541 8.840 8.463 0.377 1
1 209 . 12 1 1 A 19 19 GLU HA H 541 3.695 4.009 -0.314 1
1 214 . 12 1 1 A 19 19 GLU C C 541 178.479 179.290 -0.811 1
1 215 . 12 1 1 A 19 19 GLU CA C 541 59.695 59.486 0.209 1
1 216 . 12 1 1 A 19 19 GLU CB C 541 29.740 29.328 0.412 1
1 218 . 12 1 1 A 19 19 GLU N N 541 121.086 118.096 2.990 1
1 219 . 12 1 1 A 20 20 GLU H H 542 7.649 7.894 -0.245 1
1 220 . 12 1 1 A 20 20 GLU HA H 542 3.980 4.085 -0.105 1
1 225 . 12 1 1 A 20 20 GLU C C 542 178.212 178.895 -0.683 1
1 226 . 12 1 1 A 20 20 GLU CA C 542 58.593 59.027 -0.434 1
1 227 . 12 1 1 A 20 20 GLU CB C 542 30.293 29.582 0.711 1
1 229 . 12 1 1 A 20 20 GLU N N 542 117.027 119.418 -2.391 1
1 230 . 12 1 1 A 21 21 THR H H 543 7.588 7.937 -0.349 1
1 231 . 12 1 1 A 21 21 THR HA H 543 4.105 4.216 -0.111 1
1 236 . 12 1 1 A 21 21 THR C C 543 175.320 174.548 0.772 1
1 237 . 12 1 1 A 21 21 THR CA C 543 62.110 62.440 -0.330 1
1 238 . 12 1 1 A 21 21 THR CB C 543 70.747 69.415 1.332 1
1 240 . 12 1 1 A 21 21 THR N N 543 105.058 110.585 -5.527 1
1 241 . 12 1 1 A 22 22 ARG H H 544 7.678 7.726 -0.048 1
1 242 . 12 1 1 A 22 22 ARG HA H 544 3.925 3.984 -0.059 1
1 249 . 12 1 1 A 22 22 ARG C C 544 175.207 175.181 0.026 1
1 250 . 12 1 1 A 22 22 ARG CA C 544 55.996 57.229 -1.233 1
1 251 . 12 1 1 A 22 22 ARG CB C 544 24.959 27.310 -2.351 1
1 254 . 12 1 1 A 22 22 ARG N N 544 116.694 117.136 -0.442 1
1 255 . 12 1 1 A 23 23 LYS H H 545 6.931 7.506 -0.575 1
1 256 . 12 1 1 A 23 23 LYS HA H 545 4.169 4.321 -0.152 1
1 265 . 12 1 1 A 23 23 LYS C C 545 174.855 175.589 -0.734 1
1 266 . 12 1 1 A 23 23 LYS CA C 545 56.339 56.160 0.179 1
1 267 . 12 1 1 A 23 23 LYS CB C 545 36.104 33.729 2.375 1
1 271 . 12 1 1 A 23 23 LYS N N 545 117.744 118.530 -0.786 1
1 272 . 12 1 1 A 24 24 LEU H H 546 7.898 8.373 -0.475 1
1 273 . 12 1 1 A 24 24 LEU HA H 546 4.487 5.024 -0.537 1
1 283 . 12 1 1 A 24 24 LEU C C 546 175.730 175.319 0.411 1
1 284 . 12 1 1 A 24 24 LEU CA C 546 54.171 53.781 0.390 1
1 285 . 12 1 1 A 24 24 LEU CB C 546 43.228 44.270 -1.042 1
1 289 . 12 1 1 A 24 24 LEU N N 546 122.692 122.914 -0.222 1
1 290 . 12 1 1 A 25 25 MET H H 547 8.767 8.791 -0.024 1
1 291 . 12 1 1 A 25 25 MET HA H 547 5.728 5.046 0.682 1
1 299 . 12 1 1 A 25 25 MET CA C 547 51.900 52.561 -0.661 1
1 300 . 12 1 1 A 25 25 MET CB C 547 34.876 35.363 -0.487 1
1 303 . 12 1 1 A 25 25 MET N N 547 126.346 125.637 0.709 1
1 304 . 12 1 1 A 26 26 PRO HA H 548 5.994 5.129 0.865 1
1 311 . 12 1 1 A 26 26 PRO C C 548 176.241 176.073 0.168 1
1 312 . 12 1 1 A 26 26 PRO CA C 548 61.285 62.790 -1.505 1
1 313 . 12 1 1 A 26 26 PRO CB C 548 32.260 33.415 -1.155 1
1 316 . 12 1 1 A 27 27 ILE H H 549 9.054 8.700 0.354 1
1 317 . 12 1 1 A 27 27 ILE HA H 549 4.284 4.678 -0.394 1
1 327 . 12 1 1 A 27 27 ILE C C 549 173.407 175.053 -1.646 1
1 328 . 12 1 1 A 27 27 ILE CA C 549 57.503 59.775 -2.272 1
1 329 . 12 1 1 A 27 27 ILE CB C 549 41.581 42.129 -0.548 1
1 333 . 12 1 1 A 27 27 ILE N N 549 126.281 121.127 5.154 1
1 334 . 12 1 1 A 28 28 CYS H H 550 8.459 8.724 -0.265 1
1 335 . 12 1 1 A 28 28 CYS HA H 550 3.704 3.662 0.042 1
1 339 . 12 1 1 A 28 28 CYS C C 550 174.180 176.011 -1.831 1
1 340 . 12 1 1 A 28 28 CYS CA C 550 56.873 58.768 -1.895 1
1 341 . 12 1 1 A 28 28 CYS CB C 550 27.537 28.252 -0.715 1
1 342 . 12 1 1 A 28 28 CYS N N 550 125.844 126.670 -0.826 1
1 343 . 12 1 1 A 29 29 MET H H 551 8.782 8.645 0.137 1
1 344 . 12 1 1 A 29 29 MET HA H 551 4.637 3.977 0.660 1
1 352 . 12 1 1 A 29 29 MET C C 551 174.613 177.661 -3.048 1
1 353 . 12 1 1 A 29 29 MET CA C 551 56.871 57.671 -0.800 1
1 354 . 12 1 1 A 29 29 MET CB C 551 34.394 31.175 3.219 1
1 357 . 12 1 1 A 29 29 MET N N 551 127.467 126.929 0.538 1
1 358 . 12 1 1 A 30 30 ASP H H 552 7.308 8.224 -0.916 1
1 359 . 12 1 1 A 30 30 ASP HA H 552 4.562 4.330 0.232 1
1 362 . 12 1 1 A 30 30 ASP C C 552 175.386 176.887 -1.501 1
1 363 . 12 1 1 A 30 30 ASP CA C 552 54.371 57.048 -2.677 1
1 364 . 12 1 1 A 30 30 ASP CB C 552 41.751 41.329 0.422 1
1 365 . 12 1 1 A 30 30 ASP N N 552 117.209 120.436 -3.227 1
1 366 . 12 1 1 A 31 31 VAL H H 553 7.257 7.434 -0.177 1
1 367 . 12 1 1 A 31 31 VAL HA H 553 4.057 4.246 -0.189 1
1 375 . 12 1 1 A 31 31 VAL C C 553 175.729 176.940 -1.211 1
1 376 . 12 1 1 A 31 31 VAL CA C 553 61.834 62.109 -0.275 1
1 377 . 12 1 1 A 31 31 VAL CB C 553 30.034 29.598 0.436 1
1 380 . 12 1 1 A 31 31 VAL N N 553 120.645 117.758 2.887 1
1 381 . 12 1 1 A 32 32 ARG H H 554 8.412 8.608 -0.196 1
1 382 . 12 1 1 A 32 32 ARG HA H 554 3.794 3.968 -0.174 1
1 389 . 12 1 1 A 32 32 ARG C C 554 178.819 177.738 1.081 1
1 390 . 12 1 1 A 32 32 ARG CA C 554 59.725 58.823 0.902 1
1 391 . 12 1 1 A 32 32 ARG CB C 554 29.537 29.663 -0.126 1
1 394 . 12 1 1 A 32 32 ARG N N 554 130.554 124.874 5.680 1
1 395 . 12 1 1 A 33 33 ALA H H 555 9.094 7.861 1.233 1
1 396 . 12 1 1 A 33 33 ALA HA H 555 4.081 4.046 0.035 1
1 400 . 12 1 1 A 33 33 ALA C C 555 180.716 179.815 0.901 1
1 401 . 12 1 1 A 33 33 ALA CA C 555 55.002 55.061 -0.059 1
1 402 . 12 1 1 A 33 33 ALA CB C 555 18.462 18.667 -0.205 1
1 403 . 12 1 1 A 33 33 ALA N N 555 119.862 122.031 -2.169 1
1 404 . 12 1 1 A 34 34 ILE H H 556 6.620 7.817 -1.197 1
1 405 . 12 1 1 A 34 34 ILE HA H 556 3.745 3.636 0.109 1
1 415 . 12 1 1 A 34 34 ILE C C 556 177.540 178.064 -0.524 1
1 416 . 12 1 1 A 34 34 ILE CA C 556 64.101 64.975 -0.874 1
1 417 . 12 1 1 A 34 34 ILE CB C 556 38.397 37.710 0.687 1
1 421 . 12 1 1 A 34 34 ILE N N 556 116.216 117.656 -1.440 1
1 422 . 12 1 1 A 35 35 MET H H 557 7.619 8.191 -0.572 1
1 423 . 12 1 1 A 35 35 MET HA H 557 4.249 4.109 0.140 1
1 431 . 12 1 1 A 35 35 MET C C 557 178.737 178.437 0.300 1
1 432 . 12 1 1 A 35 35 MET CA C 557 56.113 58.666 -2.553 1
1 433 . 12 1 1 A 35 35 MET CB C 557 29.490 31.869 -2.379 1
1 436 . 12 1 1 A 35 35 MET N N 557 118.017 118.197 -0.180 1
1 437 . 12 1 1 A 36 36 ALA H H 558 8.410 7.651 0.759 1
1 438 . 12 1 1 A 36 36 ALA HA H 558 4.084 4.264 -0.180 1
1 442 . 12 1 1 A 36 36 ALA C C 558 180.632 179.590 1.042 1
1 443 . 12 1 1 A 36 36 ALA CA C 558 55.024 54.652 0.372 1
1 444 . 12 1 1 A 36 36 ALA CB C 558 17.698 19.393 -1.695 1
1 445 . 12 1 1 A 36 36 ALA N N 558 121.592 122.058 -0.466 1
1 446 . 12 1 1 A 37 37 THR H H 559 7.294 8.080 -0.786 1
1 447 . 12 1 1 A 37 37 THR HA H 559 3.858 3.892 -0.034 1
1 452 . 12 1 1 A 37 37 THR C C 559 176.419 176.792 -0.373 1
1 453 . 12 1 1 A 37 37 THR CA C 559 66.590 67.420 -0.830 1
1 454 . 12 1 1 A 37 37 THR CB C 559 68.001 68.669 -0.668 1
1 456 . 12 1 1 A 37 37 THR N N 559 115.835 114.167 1.668 1
1 457 . 12 1 1 A 38 38 ILE H H 560 8.109 8.133 -0.024 1
1 458 . 12 1 1 A 38 38 ILE HA H 560 3.698 3.709 -0.011 1
1 468 . 12 1 1 A 38 38 ILE C C 560 176.934 177.851 -0.917 1
1 469 . 12 1 1 A 38 38 ILE CA C 560 65.952 65.897 0.055 1
1 470 . 12 1 1 A 38 38 ILE CB C 560 38.252 37.874 0.378 1
1 474 . 12 1 1 A 38 38 ILE N N 560 121.886 121.700 0.186 1
1 475 . 12 1 1 A 39 39 GLN H H 561 8.425 8.148 0.277 1
1 476 . 12 1 1 A 39 39 GLN HA H 561 3.809 4.272 -0.463 1
1 483 . 12 1 1 A 39 39 GLN C C 561 177.126 178.870 -1.744 1
1 484 . 12 1 1 A 39 39 GLN CA C 561 58.751 59.197 -0.446 1
1 485 . 12 1 1 A 39 39 GLN CB C 561 29.255 28.284 0.971 1
1 487 . 12 1 1 A 39 39 GLN N N 561 116.211 118.429 -2.218 1
1 489 . 12 1 1 A 40 40 ARG H H 562 7.334 8.393 -1.059 1
1 490 . 12 1 1 A 40 40 ARG HA H 562 4.092 4.027 0.065 1
1 497 . 12 1 1 A 40 40 ARG C C 562 177.186 178.908 -1.722 1
1 498 . 12 1 1 A 40 40 ARG CA C 562 57.837 59.487 -1.650 1
1 499 . 12 1 1 A 40 40 ARG CB C 562 30.668 29.937 0.731 1
1 502 . 12 1 1 A 40 40 ARG N N 562 116.464 120.782 -4.318 1
1 503 . 12 1 1 A 41 41 LYS H H 563 7.802 7.390 0.412 1
1 504 . 12 1 1 A 41 41 LYS HA H 563 3.926 4.051 -0.125 1
1 513 . 12 1 1 A 41 41 LYS C C 563 176.735 176.481 0.254 1
1 514 . 12 1 1 A 41 41 LYS CA C 563 57.866 58.572 -0.706 1
1 515 . 12 1 1 A 41 41 LYS CB C 563 33.314 32.961 0.353 1
1 519 . 12 1 1 A 41 41 LYS N N 563 118.658 119.111 -0.453 1
1 520 . 12 1 1 A 42 42 TYR H H 564 8.208 8.669 -0.461 1
1 521 . 12 1 1 A 42 42 TYR HA H 564 4.786 5.336 -0.550 1
1 528 . 12 1 1 A 42 42 TYR C C 564 174.346 175.870 -1.524 1
1 529 . 12 1 1 A 42 42 TYR CA C 564 55.497 56.458 -0.961 1
1 530 . 12 1 1 A 42 42 TYR CB C 564 36.075 38.092 -2.017 1
1 533 . 12 1 1 A 42 42 TYR N N 564 121.157 117.700 3.457 1
1 534 . 12 1 1 A 43 43 LYS H H 565 7.212 8.781 -1.569 1
1 535 . 12 1 1 A 43 43 LYS HA H 565 4.081 4.546 -0.465 1
1 544 . 12 1 1 A 43 43 LYS C C 565 179.082 178.582 0.500 1
1 545 . 12 1 1 A 43 43 LYS CA C 565 58.075 57.927 0.148 1
1 546 . 12 1 1 A 43 43 LYS CB C 565 32.157 32.939 -0.782 1
1 550 . 12 1 1 A 43 43 LYS N N 565 119.412 124.682 -5.270 1
1 551 . 12 1 1 A 44 44 GLY H H 566 9.179 8.179 1.000 1
1 552 . 12 1 1 A 44 44 GLY HA2 H 566 3.607 3.755 -0.148 1
1 553 . 12 1 1 A 44 44 GLY HA3 H 566 4.252 3.834 0.418 1
1 554 . 12 1 1 A 44 44 GLY C C 566 173.990 173.043 0.947 1
1 555 . 12 1 1 A 44 44 GLY CA C 566 44.860 45.209 -0.349 1
1 556 . 12 1 1 A 44 44 GLY N N 566 114.958 106.659 8.299 1
1 557 . 12 1 1 A 45 45 ILE H H 567 7.604 7.574 0.030 1
1 558 . 12 1 1 A 45 45 ILE HA H 567 2.533 4.684 -2.151 1
1 568 . 12 1 1 A 45 45 ILE C C 567 172.893 174.289 -1.396 1
1 569 . 12 1 1 A 45 45 ILE CA C 567 61.754 58.712 3.042 1
1 570 . 12 1 1 A 45 45 ILE CB C 567 38.302 42.039 -3.737 1
1 574 . 12 1 1 A 45 45 ILE N N 567 122.496 120.227 2.269 1
1 575 . 12 1 1 A 46 46 LYS H H 568 7.733 8.599 -0.866 1
1 576 . 12 1 1 A 46 46 LYS HA H 568 4.307 4.606 -0.299 1
1 585 . 12 1 1 A 46 46 LYS C C 568 174.772 175.982 -1.210 1
1 586 . 12 1 1 A 46 46 LYS CA C 568 54.069 55.254 -1.185 1
1 587 . 12 1 1 A 46 46 LYS CB C 568 31.741 33.255 -1.514 1
1 591 . 12 1 1 A 46 46 LYS N N 568 128.712 126.584 2.128 1
1 592 . 12 1 1 A 47 47 ILE H H 569 8.081 7.816 0.265 1
1 593 . 12 1 1 A 47 47 ILE HA H 569 3.166 3.412 -0.246 1
1 603 . 12 1 1 A 47 47 ILE CA C 569 61.564 61.529 0.035 1
1 604 . 12 1 1 A 47 47 ILE CB C 569 36.718 36.328 0.390 1
1 608 . 12 1 1 A 47 47 ILE N N 569 124.424 116.467 7.957 1
1 609 . 12 1 1 A 48 48 GLN H H 570 6.700 8.378 -1.678 1
1 610 . 12 1 1 A 48 48 GLN HA H 570 4.205 5.005 -0.800 1
1 617 . 12 1 1 A 48 48 GLN CA C 570 53.129 53.896 -0.767 1
1 618 . 12 1 1 A 48 48 GLN CB C 570 31.211 31.875 -0.664 1
1 620 . 12 1 1 A 48 48 GLN N N 570 122.748 125.213 -2.465 1
1 622 . 12 1 1 A 49 49 GLU H H 571 8.218 8.554 -0.336 1
1 623 . 12 1 1 A 49 49 GLU HA H 571 3.727 4.570 -0.843 1
1 628 . 12 1 1 A 49 49 GLU CA C 571 57.976 56.545 1.431 1
1 629 . 12 1 1 A 49 49 GLU CB C 571 30.954 28.257 2.697 1
1 631 . 12 1 1 A 49 49 GLU N N 571 116.531 123.398 -6.867 1
1 632 . 12 1 1 A 50 50 GLY H H 572 8.967 7.932 1.035 1
1 633 . 12 1 1 A 50 50 GLY HA2 H 572 2.810 4.134 -1.324 1
1 634 . 12 1 1 A 50 50 GLY HA3 H 572 4.198 4.234 -0.036 1
1 635 . 12 1 1 A 50 50 GLY CA C 572 43.607 45.038 -1.431 1
1 636 . 12 1 1 A 50 50 GLY N N 572 111.469 111.075 0.394 1
1 637 . 12 1 1 A 51 51 ILE H H 573 8.410 8.744 -0.334 1
1 638 . 12 1 1 A 51 51 ILE HA H 573 4.916 4.566 0.350 1
1 648 . 12 1 1 A 51 51 ILE CA C 573 61.137 62.336 -1.199 1
1 649 . 12 1 1 A 51 51 ILE CB C 573 38.165 38.227 -0.062 1
1 653 . 12 1 1 A 51 51 ILE N N 573 120.591 122.067 -1.476 1
1 654 . 12 1 1 A 52 52 VAL H H 574 8.900 8.561 0.339 1
1 655 . 12 1 1 A 52 52 VAL HA H 574 4.073 5.139 -1.066 1
1 663 . 12 1 1 A 52 52 VAL CA C 574 62.516 59.755 2.761 1
1 664 . 12 1 1 A 52 52 VAL CB C 574 35.957 35.138 0.819 1
1 667 . 12 1 1 A 52 52 VAL N N 574 131.435 126.853 4.582 1
1 668 . 12 1 1 A 53 53 ASP H H 575 8.731 9.019 -0.288 1
1 669 . 12 1 1 A 53 53 ASP HA H 575 4.953 5.212 -0.259 1
1 672 . 12 1 1 A 53 53 ASP CA C 575 52.137 53.291 -1.154 1
1 673 . 12 1 1 A 53 53 ASP CB C 575 40.659 42.656 -1.997 1
1 674 . 12 1 1 A 53 53 ASP N N 575 126.463 128.163 -1.700 1
1 675 . 12 1 1 A 54 54 TYR H H 576 8.639 9.046 -0.407 1
1 676 . 12 1 1 A 54 54 TYR HA H 576 4.407 4.884 -0.477 1
1 683 . 12 1 1 A 54 54 TYR CA C 576 57.833 57.846 -0.013 1
1 684 . 12 1 1 A 54 54 TYR CB C 576 38.634 41.008 -2.374 1
1 687 . 12 1 1 A 54 54 TYR N N 576 131.097 126.786 4.311 1
1 688 . 12 1 1 A 55 55 GLY H H 577 8.388 8.958 -0.570 1
1 689 . 12 1 1 A 55 55 GLY HA2 H 577 3.056 3.867 -0.811 1
1 690 . 12 1 1 A 55 55 GLY HA3 H 577 4.307 3.970 0.337 1
1 691 . 12 1 1 A 55 55 GLY CA C 577 46.347 45.764 0.583 1
1 692 . 12 1 1 A 55 55 GLY N N 577 115.719 116.639 -0.920 1
1 693 . 12 1 1 A 56 56 VAL H H 578 7.143 7.940 -0.797 1
1 694 . 12 1 1 A 56 56 VAL HA H 578 3.410 4.466 -1.056 1
1 702 . 12 1 1 A 56 56 VAL CA C 578 60.335 60.286 0.049 1
1 703 . 12 1 1 A 56 56 VAL CB C 578 35.027 35.185 -0.158 1
1 706 . 12 1 1 A 56 56 VAL N N 578 124.853 120.521 4.332 1
1 707 . 12 1 1 A 57 57 ARG H H 579 8.091 8.154 -0.063 1
1 708 . 12 1 1 A 57 57 ARG HA H 579 4.292 4.703 -0.411 1
1 715 . 12 1 1 A 57 57 ARG CA C 579 55.039 55.589 -0.550 1
1 716 . 12 1 1 A 57 57 ARG CB C 579 29.224 30.727 -1.503 1
1 719 . 12 1 1 A 57 57 ARG N N 579 124.754 125.751 -0.997 1
1 720 . 12 1 1 A 58 58 PHE H H 580 8.499 9.164 -0.665 1
1 721 . 12 1 1 A 58 58 PHE HA H 580 4.647 5.212 -0.565 1
1 729 . 12 1 1 A 58 58 PHE CA C 580 57.563 57.123 0.440 1
1 730 . 12 1 1 A 58 58 PHE CB C 580 42.026 41.123 0.903 1
1 734 . 12 1 1 A 58 58 PHE N N 580 124.105 124.653 -0.548 1
1 735 . 12 1 1 A 59 59 PHE H H 581 7.683 8.583 -0.900 1
1 736 . 12 1 1 A 59 59 PHE HA H 581 4.689 5.058 -0.369 1
1 743 . 12 1 1 A 59 59 PHE CA C 581 56.662 56.914 -0.252 1
1 744 . 12 1 1 A 59 59 PHE CB C 581 41.024 40.403 0.621 1
1 747 . 12 1 1 A 59 59 PHE N N 581 119.707 122.634 -2.927 1
1 748 . 12 1 1 A 60 60 PHE H H 582 8.898 8.169 0.729 1
1 749 . 12 1 1 A 60 60 PHE HA H 582 5.563 5.030 0.533 1
1 757 . 12 1 1 A 60 60 PHE CA C 582 57.615 57.930 -0.315 1
1 758 . 12 1 1 A 60 60 PHE CB C 582 39.539 40.468 -0.929 1
1 762 . 12 1 1 A 60 60 PHE N N 582 127.157 126.360 0.797 1
1 763 . 12 1 1 A 61 61 TYR H H 583 8.441 8.379 0.062 1
1 764 . 12 1 1 A 61 61 TYR HA H 583 5.301 5.137 0.164 1
1 771 . 12 1 1 A 61 61 TYR CA C 583 54.556 55.747 -1.191 1
1 772 . 12 1 1 A 61 61 TYR CB C 583 41.444 40.396 1.048 1
1 775 . 12 1 1 A 61 61 TYR N N 583 119.072 117.985 1.087 1
1 776 . 12 1 1 A 62 62 THR H H 584 9.444 8.671 0.773 1
1 777 . 12 1 1 A 62 62 THR HA H 584 4.680 4.692 -0.012 1
1 782 . 12 1 1 A 62 62 THR CA C 584 59.784 60.259 -0.475 1
1 783 . 12 1 1 A 62 62 THR CB C 584 71.274 70.899 0.375 1
1 785 . 12 1 1 A 62 62 THR N N 584 113.469 114.843 -1.374 1
1 786 . 12 1 1 A 63 63 SER H H 585 9.092 8.958 0.134 1
1 787 . 12 1 1 A 63 63 SER HA H 585 4.685 4.204 0.481 1
1 790 . 12 1 1 A 63 63 SER CA C 585 59.665 61.017 -1.352 1
1 791 . 12 1 1 A 63 63 SER CB C 585 62.835 63.039 -0.204 1
1 792 . 12 1 1 A 63 63 SER N N 585 114.155 117.079 -2.924 1
1 793 . 12 1 1 A 64 64 LYS H H 586 7.484 7.607 -0.123 1
1 794 . 12 1 1 A 64 64 LYS HA H 586 4.074 4.329 -0.255 1
1 803 . 12 1 1 A 64 64 LYS CA C 586 55.960 58.000 -2.040 1
1 804 . 12 1 1 A 64 64 LYS CB C 586 32.662 32.908 -0.246 1
1 808 . 12 1 1 A 64 64 LYS N N 586 118.230 119.499 -1.269 1
1 809 . 12 1 1 A 65 65 GLU H H 587 7.194 7.912 -0.718 1
1 810 . 12 1 1 A 65 65 GLU HA H 587 4.584 4.497 0.087 1
1 815 . 12 1 1 A 65 65 GLU CA C 587 53.443 55.095 -1.652 1
1 816 . 12 1 1 A 65 65 GLU CB C 587 30.381 30.428 -0.047 1
1 818 . 12 1 1 A 65 65 GLU N N 587 124.837 121.123 3.714 1
1 819 . 12 1 1 A 66 66 PRO HA H 588 4.506 4.581 -0.075 1
1 826 . 12 1 1 A 66 66 PRO CA C 588 62.620 63.285 -0.665 1
1 827 . 12 1 1 A 66 66 PRO CB C 588 32.368 32.088 0.280 1
1 830 . 12 1 1 A 67 67 VAL H H 589 8.545 8.316 0.229 1
1 831 . 12 1 1 A 67 67 VAL HA H 589 3.136 3.251 -0.115 1
1 839 . 12 1 1 A 67 67 VAL CA C 589 66.588 66.690 -0.102 1
1 840 . 12 1 1 A 67 67 VAL CB C 589 30.979 31.402 -0.423 1
1 843 . 12 1 1 A 67 67 VAL N N 589 123.156 123.394 -0.238 1
1 844 . 12 1 1 A 68 68 ALA H H 590 8.700 8.491 0.209 1
1 845 . 12 1 1 A 68 68 ALA HA H 590 3.953 3.956 -0.003 1
1 849 . 12 1 1 A 68 68 ALA CA C 590 54.867 55.650 -0.783 1
1 850 . 12 1 1 A 68 68 ALA CB C 590 18.134 18.622 -0.488 1
1 851 . 12 1 1 A 68 68 ALA N N 590 118.895 122.666 -3.771 1
1 852 . 12 1 1 A 69 69 SER H H 591 6.961 7.937 -0.976 1
1 853 . 12 1 1 A 69 69 SER HA H 591 4.195 4.210 -0.015 1
1 856 . 12 1 1 A 69 69 SER CA C 591 60.029 61.544 -1.515 1
1 857 . 12 1 1 A 69 69 SER CB C 591 62.045 63.017 -0.972 1
1 858 . 12 1 1 A 69 69 SER N N 591 111.445 112.803 -1.358 1
1 859 . 12 1 1 A 70 70 ILE H H 592 7.386 7.962 -0.576 1
1 860 . 12 1 1 A 70 70 ILE HA H 592 3.361 3.698 -0.337 1
1 870 . 12 1 1 A 70 70 ILE CA C 592 65.332 64.635 0.697 1
1 871 . 12 1 1 A 70 70 ILE CB C 592 38.427 37.386 1.041 1
1 875 . 12 1 1 A 70 70 ILE N N 592 122.407 121.220 1.187 1
1 876 . 12 1 1 A 71 71 ILE H H 593 8.332 8.104 0.228 1
1 877 . 12 1 1 A 71 71 ILE HA H 593 3.256 3.484 -0.228 1
1 887 . 12 1 1 A 71 71 ILE CA C 593 65.023 64.921 0.102 1
1 888 . 12 1 1 A 71 71 ILE CB C 593 36.662 37.279 -0.617 1
1 892 . 12 1 1 A 71 71 ILE N N 593 117.779 121.467 -3.688 1
1 893 . 12 1 1 A 72 72 THR H H 594 7.834 8.248 -0.414 1
1 894 . 12 1 1 A 72 72 THR HA H 594 3.845 3.917 -0.072 1
1 899 . 12 1 1 A 72 72 THR CA C 594 67.376 66.813 0.563 1
1 900 . 12 1 1 A 72 72 THR CB C 594 68.291 68.811 -0.520 1
1 902 . 12 1 1 A 72 72 THR N N 594 117.154 116.311 0.843 1
1 903 . 12 1 1 A 73 73 LYS H H 595 7.803 7.633 0.170 1
1 904 . 12 1 1 A 73 73 LYS HA H 595 3.936 3.959 -0.023 1
1 913 . 12 1 1 A 73 73 LYS CA C 595 59.853 59.461 0.392 1
1 914 . 12 1 1 A 73 73 LYS CB C 595 32.531 32.401 0.130 1
1 918 . 12 1 1 A 73 73 LYS N N 595 122.657 120.884 1.773 1
1 919 . 12 1 1 A 74 74 LEU H H 596 8.088 7.845 0.243 1
1 920 . 12 1 1 A 74 74 LEU HA H 596 3.681 3.781 -0.100 1
1 930 . 12 1 1 A 74 74 LEU CA C 596 57.217 57.916 -0.699 1
1 931 . 12 1 1 A 74 74 LEU CB C 596 41.122 41.252 -0.130 1
1 935 . 12 1 1 A 74 74 LEU N N 596 119.593 120.223 -0.630 1
1 936 . 12 1 1 A 75 75 ASN H H 597 8.949 8.688 0.261 1
1 937 . 12 1 1 A 75 75 ASN HA H 597 4.471 4.365 0.106 1
1 942 . 12 1 1 A 75 75 ASN CA C 597 54.735 56.393 -1.658 1
1 943 . 12 1 1 A 75 75 ASN CB C 597 37.074 38.183 -1.109 1
1 944 . 12 1 1 A 75 75 ASN N N 597 121.103 118.710 2.393 1
1 946 . 12 1 1 A 76 76 SER H H 598 7.927 7.967 -0.040 1
1 947 . 12 1 1 A 76 76 SER HA H 598 4.137 4.127 0.010 1
1 950 . 12 1 1 A 76 76 SER CA C 598 60.952 61.347 -0.395 1
1 951 . 12 1 1 A 76 76 SER CB C 598 62.516 62.291 0.225 1
1 952 . 12 1 1 A 76 76 SER N N 598 116.716 114.430 2.286 1
1 953 . 12 1 1 A 77 77 LEU H H 599 7.543 7.374 0.169 1
1 954 . 12 1 1 A 77 77 LEU HA H 599 3.974 4.012 -0.038 1
1 964 . 12 1 1 A 77 77 LEU CA C 599 57.200 57.440 -0.240 1
1 965 . 12 1 1 A 77 77 LEU CB C 599 41.749 42.255 -0.506 1
1 969 . 12 1 1 A 77 77 LEU N N 599 121.292 122.503 -1.211 1
1 970 . 12 1 1 A 78 78 ASN H H 600 7.755 8.324 -0.569 1
1 971 . 12 1 1 A 78 78 ASN HA H 600 4.114 4.269 -0.155 1
1 976 . 12 1 1 A 78 78 ASN CA C 600 53.603 54.364 -0.761 1
1 977 . 12 1 1 A 78 78 ASN CB C 600 37.688 37.482 0.206 1
1 978 . 12 1 1 A 78 78 ASN N N 600 113.272 117.736 -4.464 1
1 980 . 12 1 1 A 79 79 GLU H H 601 8.389 8.014 0.375 1
1 981 . 12 1 1 A 79 79 GLU HA H 601 4.675 4.697 -0.022 1
1 986 . 12 1 1 A 79 79 GLU CA C 601 53.418 53.625 -0.207 1
1 987 . 12 1 1 A 79 79 GLU CB C 601 30.704 29.778 0.926 1
1 989 . 12 1 1 A 79 79 GLU N N 601 118.840 118.788 0.052 1
1 990 . 12 1 1 A 80 80 PRO HA H 602 4.771 4.799 -0.028 1
1 997 . 12 1 1 A 80 80 PRO CA C 602 62.189 62.547 -0.358 1
1 998 . 12 1 1 A 80 80 PRO CB C 602 32.196 30.532 1.664 1
1 1001 . 12 1 1 A 81 81 LEU H H 603 8.539 8.269 0.270 1
1 1002 . 12 1 1 A 81 81 LEU HA H 603 5.766 4.736 1.030 1
1 1012 . 12 1 1 A 81 81 LEU CA C 603 53.432 54.798 -1.366 1
1 1013 . 12 1 1 A 81 81 LEU CB C 603 48.114 42.470 5.644 1
1 1017 . 12 1 1 A 81 81 LEU N N 603 118.455 124.012 -5.557 1
1 1018 . 12 1 1 A 82 82 VAL H H 604 8.322 8.131 0.191 1
1 1019 . 12 1 1 A 82 82 VAL HA H 604 5.110 4.816 0.294 1
1 1027 . 12 1 1 A 82 82 VAL CA C 604 59.609 60.652 -1.043 1
1 1028 . 12 1 1 A 82 82 VAL CB C 604 34.100 33.845 0.255 1
1 1031 . 12 1 1 A 82 82 VAL N N 604 121.259 120.512 0.747 1
1 1032 . 12 1 1 A 83 83 THR H H 605 8.570 8.635 -0.065 1
1 1033 . 12 1 1 A 83 83 THR HA H 605 5.107 4.760 0.347 1
1 1038 . 12 1 1 A 83 83 THR CA C 605 59.606 60.677 -1.071 1
1 1039 . 12 1 1 A 83 83 THR CB C 605 71.321 71.069 0.252 1
1 1041 . 12 1 1 A 83 83 THR N N 605 117.620 121.475 -3.855 1
1 1042 . 12 1 1 A 84 84 MET H H 606 8.288 8.724 -0.436 1
1 1043 . 12 1 1 A 84 84 MET HA H 606 5.310 4.572 0.738 1
1 1051 . 12 1 1 A 84 84 MET CA C 606 55.491 55.013 0.478 1
1 1052 . 12 1 1 A 84 84 MET CB C 606 31.549 32.891 -1.342 1
1 1055 . 12 1 1 A 84 84 MET N N 606 125.405 123.623 1.782 1
1 1056 . 12 1 1 A 85 85 PRO HA H 607 4.048 4.693 -0.645 1
1 1063 . 12 1 1 A 85 85 PRO CA C 607 63.608 62.756 0.852 1
1 1064 . 12 1 1 A 85 85 PRO CB C 607 31.291 31.576 -0.285 1
1 1067 . 12 1 1 A 86 86 ILE H H 608 8.326 8.632 -0.306 1
1 1068 . 12 1 1 A 86 86 ILE HA H 608 3.423 4.032 -0.609 1
1 1078 . 12 1 1 A 86 86 ILE CA C 608 63.457 64.228 -0.771 1
1 1079 . 12 1 1 A 86 86 ILE CB C 608 35.800 37.775 -1.975 1
1 1083 . 12 1 1 A 86 86 ILE N N 608 133.106 121.102 12.004 1
1 1084 . 12 1 1 A 87 87 GLY H H 609 8.549 7.432 1.117 1
1 1085 . 12 1 1 A 87 87 GLY HA2 H 609 3.448 3.511 -0.063 1
1 1086 . 12 1 1 A 87 87 GLY HA3 H 609 4.101 3.575 0.526 1
1 1087 . 12 1 1 A 87 87 GLY CA C 609 44.556 46.160 -1.604 1
1 1088 . 12 1 1 A 87 87 GLY N N 609 111.653 109.643 2.010 1
1 1089 . 12 1 1 A 88 88 TYR H H 610 7.224 8.713 -1.489 1
1 1090 . 12 1 1 A 88 88 TYR HA H 610 4.437 4.915 -0.478 1
1 1097 . 12 1 1 A 88 88 TYR CA C 610 57.670 56.730 0.940 1
1 1098 . 12 1 1 A 88 88 TYR CB C 610 38.604 40.420 -1.816 1
1 1101 . 12 1 1 A 88 88 TYR N N 610 121.537 124.548 -3.011 1
1 1102 . 12 1 1 A 89 89 VAL H H 611 8.953 7.920 1.033 1
1 1103 . 12 1 1 A 89 89 VAL HA H 611 3.065 3.586 -0.521 1
1 1111 . 12 1 1 A 89 89 VAL CA C 611 70.009 66.119 3.890 1
1 1112 . 12 1 1 A 89 89 VAL CB C 611 30.422 31.183 -0.761 1
1 1115 . 12 1 1 A 89 89 VAL N N 611 128.074 119.885 8.189 1
1 1116 . 12 1 1 A 90 90 THR H H 612 9.348 8.140 1.208 1
1 1117 . 12 1 1 A 90 90 THR HA H 612 3.810 4.038 -0.228 1
1 1122 . 12 1 1 A 90 90 THR CA C 612 64.727 65.718 -0.991 1
1 1123 . 12 1 1 A 90 90 THR CB C 612 68.005 67.905 0.100 1
1 1125 . 12 1 1 A 90 90 THR N N 612 117.972 115.107 2.865 1
1 1126 . 12 1 1 A 91 91 HIS H H 613 7.651 7.933 -0.282 1
1 1127 . 12 1 1 A 91 91 HIS HA H 613 4.685 4.557 0.128 1
1 1131 . 12 1 1 A 91 91 HIS CA C 613 55.419 55.976 -0.557 1
1 1132 . 12 1 1 A 91 91 HIS CB C 613 29.092 29.772 -0.680 1
1 1134 . 12 1 1 A 91 91 HIS N N 613 119.034 117.217 1.817 1
1 1135 . 12 1 1 A 92 92 GLY H H 614 7.655 8.151 -0.496 1
1 1136 . 12 1 1 A 92 92 GLY HA2 H 614 3.665 3.903 -0.238 1
1 1137 . 12 1 1 A 92 92 GLY HA3 H 614 4.095 3.956 0.139 1
1 1138 . 12 1 1 A 92 92 GLY CA C 614 45.035 46.274 -1.239 1
1 1139 . 12 1 1 A 92 92 GLY N N 614 106.031 109.257 -3.226 1
1 1140 . 12 1 1 A 93 93 PHE H H 615 6.716 8.150 -1.434 1
1 1141 . 12 1 1 A 93 93 PHE HA H 615 5.244 4.579 0.665 1
1 1149 . 12 1 1 A 93 93 PHE CA C 615 53.904 58.144 -4.240 1
1 1150 . 12 1 1 A 93 93 PHE CB C 615 38.587 40.300 -1.713 1
1 1154 . 12 1 1 A 93 93 PHE N N 615 116.220 118.816 -2.596 1
1 1155 . 12 1 1 A 94 94 ASN H H 616 9.141 9.023 0.118 1
1 1156 . 12 1 1 A 94 94 ASN HA H 616 4.956 5.144 -0.188 1
1 1161 . 12 1 1 A 94 94 ASN CA C 616 51.278 52.474 -1.196 1
1 1162 . 12 1 1 A 94 94 ASN CB C 616 37.692 39.662 -1.970 1
1 1163 . 12 1 1 A 94 94 ASN N N 616 122.153 120.093 2.060 1
1 1165 . 12 1 1 A 95 95 LEU H H 617 8.684 8.946 -0.262 1
1 1166 . 12 1 1 A 95 95 LEU HA H 617 3.831 4.055 -0.224 1
1 1176 . 12 1 1 A 95 95 LEU CA C 617 58.457 58.189 0.268 1
1 1177 . 12 1 1 A 95 95 LEU CB C 617 41.985 41.249 0.736 1
1 1181 . 12 1 1 A 95 95 LEU N N 617 119.153 126.275 -7.122 1
1 1182 . 12 1 1 A 96 96 GLU H H 618 7.747 8.028 -0.281 1
1 1183 . 12 1 1 A 96 96 GLU HA H 618 2.864 3.183 -0.319 1
1 1188 . 12 1 1 A 96 96 GLU CA C 618 59.402 59.203 0.199 1
1 1189 . 12 1 1 A 96 96 GLU CB C 618 28.323 28.415 -0.092 1
1 1191 . 12 1 1 A 96 96 GLU N N 618 120.199 118.674 1.525 1
1 1192 . 12 1 1 A 97 97 GLU H H 619 8.503 8.041 0.462 1
1 1193 . 12 1 1 A 97 97 GLU HA H 619 3.497 3.930 -0.433 1
1 1198 . 12 1 1 A 97 97 GLU CA C 619 58.251 58.745 -0.494 1
1 1199 . 12 1 1 A 97 97 GLU CB C 619 29.073 29.618 -0.545 1
1 1201 . 12 1 1 A 97 97 GLU N N 619 118.988 119.703 -0.715 1
1 1202 . 12 1 1 A 98 98 ALA H H 620 8.311 8.569 -0.258 1
1 1203 . 12 1 1 A 98 98 ALA HA H 620 4.211 4.321 -0.110 1
1 1207 . 12 1 1 A 98 98 ALA CA C 620 54.717 54.967 -0.250 1
1 1208 . 12 1 1 A 98 98 ALA CB C 620 18.635 18.439 0.196 1
1 1209 . 12 1 1 A 98 98 ALA N N 620 121.102 122.871 -1.769 1
1 1210 . 12 1 1 A 99 99 ALA H H 621 8.570 7.910 0.660 1
1 1211 . 12 1 1 A 99 99 ALA HA H 621 3.831 3.254 0.577 1
1 1215 . 12 1 1 A 99 99 ALA CA C 621 55.004 54.877 0.127 1
1 1216 . 12 1 1 A 99 99 ALA CB C 621 18.548 17.717 0.831 1
1 1217 . 12 1 1 A 99 99 ALA N N 621 121.431 120.202 1.229 1
1 1218 . 12 1 1 A 100 100 ARG H H 622 7.646 7.562 0.084 1
1 1219 . 12 1 1 A 100 100 ARG HA H 622 3.636 4.034 -0.398 1
1 1226 . 12 1 1 A 100 100 ARG CA C 622 59.556 58.719 0.837 1
1 1227 . 12 1 1 A 100 100 ARG CB C 622 29.420 29.791 -0.371 1
1 1230 . 12 1 1 A 100 100 ARG N N 622 114.812 116.892 -2.080 1
1 1231 . 12 1 1 A 101 101 CYS H H 623 7.503 8.617 -1.114 1
1 1232 . 12 1 1 A 101 101 CYS HA H 623 4.081 4.280 -0.199 1
1 1235 . 12 1 1 A 101 101 CYS CA C 623 62.364 62.395 -0.031 1
1 1236 . 12 1 1 A 101 101 CYS CB C 623 26.301 27.243 -0.942 1
1 1237 . 12 1 1 A 101 101 CYS N N 623 118.667 118.608 0.059 1
1 1238 . 12 1 1 A 102 102 MET H H 624 8.332 8.477 -0.145 1
1 1239 . 12 1 1 A 102 102 MET HA H 624 4.165 4.272 -0.107 1
1 1247 . 12 1 1 A 102 102 MET CA C 624 55.808 57.916 -2.108 1
1 1248 . 12 1 1 A 102 102 MET CB C 624 30.500 31.417 -0.917 1
1 1251 . 12 1 1 A 102 102 MET N N 624 119.480 119.124 0.356 1
1 1252 . 12 1 1 A 103 103 ARG H H 625 7.505 7.680 -0.175 1
1 1253 . 12 1 1 A 103 103 ARG HA H 625 4.022 4.247 -0.225 1
1 1260 . 12 1 1 A 103 103 ARG CA C 625 58.658 58.890 -0.232 1
1 1261 . 12 1 1 A 103 103 ARG CB C 625 30.413 29.990 0.423 1
1 1264 . 12 1 1 A 103 103 ARG N N 625 120.614 118.798 1.816 1
1 1265 . 12 1 1 A 104 104 SER H H 626 7.635 7.736 -0.101 1
1 1266 . 12 1 1 A 104 104 SER HA H 626 4.278 4.365 -0.087 1
1 1269 . 12 1 1 A 104 104 SER CA C 626 58.925 59.960 -1.035 1
1 1270 . 12 1 1 A 104 104 SER CB C 626 63.785 63.459 0.326 1
1 1271 . 12 1 1 A 104 104 SER N N 626 111.144 114.305 -3.161 1
1 1272 . 12 1 1 A 105 105 LEU H H 627 7.602 7.534 0.068 1
1 1273 . 12 1 1 A 105 105 LEU HA H 627 4.387 4.701 -0.314 1
1 1283 . 12 1 1 A 105 105 LEU CA C 627 55.025 55.390 -0.365 1
1 1284 . 12 1 1 A 105 105 LEU CB C 627 42.360 42.862 -0.502 1
1 1288 . 12 1 1 A 105 105 LEU N N 627 125.064 122.195 2.869 1
1 1289 . 12 1 1 A 106 106 LYS H H 628 9.724 8.588 1.136 1
1 1290 . 12 1 1 A 106 106 LYS HA H 628 4.244 4.417 -0.173 1
1 1299 . 12 1 1 A 106 106 LYS CA C 628 54.781 56.821 -2.040 1
1 1300 . 12 1 1 A 106 106 LYS CB C 628 33.456 33.895 -0.439 1
1 1304 . 12 1 1 A 106 106 LYS N N 628 128.616 124.033 4.583 1
1 1305 . 12 1 1 A 107 107 ALA H H 629 6.593 7.617 -1.024 1
1 1306 . 12 1 1 A 107 107 ALA HA H 629 4.420 4.431 -0.011 1
1 1310 . 12 1 1 A 107 107 ALA CA C 629 50.003 51.296 -1.293 1
1 1311 . 12 1 1 A 107 107 ALA CB C 629 17.219 18.746 -1.527 1
1 1312 . 12 1 1 A 107 107 ALA N N 629 124.084 122.570 1.514 1
1 1313 . 12 1 1 A 108 108 PRO HA H 630 4.302 4.674 -0.372 1
1 1320 . 12 1 1 A 108 108 PRO CA C 630 62.816 62.648 0.168 1
1 1321 . 12 1 1 A 108 108 PRO CB C 630 31.743 33.151 -1.408 1
1 1324 . 12 1 1 A 109 109 ALA H H 631 7.898 8.202 -0.304 1
1 1325 . 12 1 1 A 109 109 ALA HA H 631 5.092 4.831 0.261 1
1 1329 . 12 1 1 A 109 109 ALA CA C 631 50.966 51.056 -0.090 1
1 1330 . 12 1 1 A 109 109 ALA CB C 631 22.217 23.998 -1.781 1
1 1331 . 12 1 1 A 109 109 ALA N N 631 122.466 118.110 4.356 1
1 1332 . 12 1 1 A 110 110 VAL H H 632 8.071 8.382 -0.311 1
1 1333 . 12 1 1 A 110 110 VAL HA H 632 4.167 4.873 -0.706 1
1 1341 . 12 1 1 A 110 110 VAL CA C 632 61.685 61.397 0.288 1
1 1342 . 12 1 1 A 110 110 VAL CB C 632 32.856 34.309 -1.453 1
1 1345 . 12 1 1 A 110 110 VAL N N 632 125.531 119.740 5.791 1
1 1346 . 12 1 1 A 111 111 VAL H H 633 8.182 8.334 -0.152 1
1 1347 . 12 1 1 A 111 111 VAL HA H 633 4.731 4.868 -0.137 1
1 1355 . 12 1 1 A 111 111 VAL CA C 633 59.473 60.008 -0.535 1
1 1356 . 12 1 1 A 111 111 VAL CB C 633 32.919 33.835 -0.916 1
1 1359 . 12 1 1 A 111 111 VAL N N 633 128.148 127.758 0.390 1
1 1360 . 12 1 1 A 112 112 SER H H 634 8.591 8.791 -0.200 1
1 1361 . 12 1 1 A 112 112 SER HA H 634 4.920 5.019 -0.099 1
1 1364 . 12 1 1 A 112 112 SER CA C 634 53.905 57.069 -3.164 1
1 1365 . 12 1 1 A 112 112 SER CB C 634 64.651 64.210 0.441 1
1 1366 . 12 1 1 A 112 112 SER N N 634 119.276 123.926 -4.650 1
1 1367 . 12 1 1 A 113 113 VAL H H 635 8.503 8.377 0.126 1
1 1368 . 12 1 1 A 113 113 VAL HA H 635 4.522 4.679 -0.157 1
1 1376 . 12 1 1 A 113 113 VAL CA C 635 59.398 58.879 0.519 1
1 1377 . 12 1 1 A 113 113 VAL CB C 635 32.548 34.443 -1.895 1
1 1380 . 12 1 1 A 113 113 VAL N N 635 118.886 118.439 0.447 1
1 1381 . 12 1 1 A 114 114 SER H H 636 8.263 8.797 -0.534 1
1 1382 . 12 1 1 A 114 114 SER HA H 636 3.940 4.314 -0.374 1
1 1385 . 12 1 1 A 114 114 SER CA C 636 61.597 61.164 0.433 1
1 1386 . 12 1 1 A 114 114 SER CB C 636 63.321 63.136 0.185 1
1 1387 . 12 1 1 A 114 114 SER N N 636 112.710 117.016 -4.306 1
1 1388 . 12 1 1 A 115 115 SER H H 637 7.269 7.760 -0.491 1
1 1389 . 12 1 1 A 115 115 SER HA H 637 4.956 5.019 -0.063 1
1 1392 . 12 1 1 A 115 115 SER CA C 637 55.674 55.122 0.552 1
1 1393 . 12 1 1 A 115 115 SER CB C 637 64.074 65.428 -1.354 1
1 1394 . 12 1 1 A 115 115 SER N N 637 114.537 110.831 3.706 1
1 1395 . 12 1 1 A 116 116 PRO HA H 638 4.186 4.322 -0.136 1
1 1402 . 12 1 1 A 116 116 PRO CA C 638 65.021 64.885 0.136 1
1 1403 . 12 1 1 A 116 116 PRO CB C 638 31.908 31.953 -0.045 1
1 1406 . 12 1 1 A 117 117 ASP H H 639 8.161 8.401 -0.240 1
1 1407 . 12 1 1 A 117 117 ASP HA H 639 4.359 4.426 -0.067 1
1 1410 . 12 1 1 A 117 117 ASP CA C 639 55.928 57.116 -1.188 1
1 1411 . 12 1 1 A 117 117 ASP CB C 639 40.088 40.562 -0.474 1
1 1412 . 12 1 1 A 117 117 ASP N N 639 116.310 117.376 -1.066 1
1 1413 . 12 1 1 A 118 118 ALA H H 640 7.596 7.563 0.033 1
1 1414 . 12 1 1 A 118 118 ALA HA H 640 4.225 4.106 0.119 1
1 1418 . 12 1 1 A 118 118 ALA CA C 640 52.964 54.646 -1.682 1
1 1419 . 12 1 1 A 118 118 ALA CB C 640 18.334 18.345 -0.011 1
1 1420 . 12 1 1 A 118 118 ALA N N 640 121.066 123.144 -2.078 1
1 1421 . 12 1 1 A 119 119 VAL H H 641 7.280 7.939 -0.659 1
1 1422 . 12 1 1 A 119 119 VAL HA H 641 3.221 3.420 -0.199 1
1 1430 . 12 1 1 A 119 119 VAL CA C 641 66.608 67.260 -0.652 1
1 1431 . 12 1 1 A 119 119 VAL CB C 641 31.436 31.673 -0.237 1
1 1434 . 12 1 1 A 119 119 VAL N N 641 120.886 119.433 1.453 1
1 1435 . 12 1 1 A 120 120 THR H H 642 7.475 8.108 -0.633 1
1 1436 . 12 1 1 A 120 120 THR HA H 642 3.840 3.917 -0.077 1
1 1441 . 12 1 1 A 120 120 THR CA C 642 65.297 65.848 -0.551 1
1 1442 . 12 1 1 A 120 120 THR CB C 642 68.042 68.869 -0.827 1
1 1444 . 12 1 1 A 120 120 THR N N 642 112.821 116.951 -4.130 1
1 1445 . 12 1 1 A 121 121 THR H H 643 7.328 8.100 -0.772 1
1 1446 . 12 1 1 A 121 121 THR HA H 643 3.477 3.752 -0.275 1
1 1451 . 12 1 1 A 121 121 THR CA C 643 65.341 66.588 -1.247 1
1 1452 . 12 1 1 A 121 121 THR CB C 643 68.196 68.544 -0.348 1
1 1454 . 12 1 1 A 121 121 THR N N 643 119.194 116.526 2.668 1
1 1455 . 12 1 1 A 122 122 TYR H H 644 8.766 8.259 0.507 1
1 1456 . 12 1 1 A 122 122 TYR HA H 644 3.764 4.253 -0.489 1
1 1463 . 12 1 1 A 122 122 TYR CA C 644 62.340 61.795 0.545 1
1 1464 . 12 1 1 A 122 122 TYR CB C 644 39.106 38.625 0.481 1
1 1467 . 12 1 1 A 122 122 TYR N N 644 122.838 121.110 1.728 1
1 1468 . 12 1 1 A 123 123 ASN H H 645 8.290 8.615 -0.325 1
1 1469 . 12 1 1 A 123 123 ASN HA H 645 4.299 4.478 -0.179 1
1 1474 . 12 1 1 A 123 123 ASN CA C 645 55.018 56.000 -0.982 1
1 1475 . 12 1 1 A 123 123 ASN CB C 645 36.967 38.067 -1.100 1
1 1476 . 12 1 1 A 123 123 ASN N N 645 116.356 118.081 -1.725 1
1 1478 . 12 1 1 A 124 124 GLY H H 646 7.768 8.399 -0.631 1
1 1479 . 12 1 1 A 124 124 GLY HA2 H 646 3.639 3.553 0.086 1
1 1480 . 12 1 1 A 124 124 GLY HA3 H 646 3.707 3.683 0.024 1
1 1481 . 12 1 1 A 124 124 GLY CA C 646 46.521 47.084 -0.563 1
1 1482 . 12 1 1 A 124 124 GLY N N 646 108.260 108.230 0.030 1
1 1483 . 12 1 1 A 125 125 TYR H H 647 7.386 7.427 -0.041 1
1 1484 . 12 1 1 A 125 125 TYR HA H 647 4.608 4.551 0.057 1
1 1491 . 12 1 1 A 125 125 TYR CA C 647 57.204 59.873 -2.669 1
1 1492 . 12 1 1 A 125 125 TYR CB C 647 37.557 37.634 -0.077 1
1 1495 . 12 1 1 A 125 125 TYR N N 647 120.587 121.335 -0.748 1
1 1496 . 12 1 1 A 126 126 LEU H H 648 7.802 7.684 0.118 1
1 1497 . 12 1 1 A 126 126 LEU HA H 648 3.801 4.144 -0.343 1
1 1507 . 12 1 1 A 126 126 LEU CA C 648 56.663 57.034 -0.371 1
1 1508 . 12 1 1 A 126 126 LEU CB C 648 42.298 41.796 0.502 1
1 1512 . 12 1 1 A 126 126 LEU N N 648 119.234 118.271 0.963 1
1 1513 . 12 1 1 A 127 127 THR H H 649 7.473 7.932 -0.459 1
1 1514 . 12 1 1 A 127 127 THR HA H 649 4.238 4.637 -0.399 1
1 1519 . 12 1 1 A 127 127 THR CA C 649 61.868 61.027 0.841 1
1 1520 . 12 1 1 A 127 127 THR CB C 649 69.451 69.550 -0.099 1
1 1522 . 12 1 1 A 127 127 THR N N 649 108.633 114.271 -5.638 1
1 1523 . 12 1 1 A 128 128 SER H H 650 7.696 8.179 -0.483 1
1 1524 . 12 1 1 A 128 128 SER HA H 650 4.439 4.266 0.173 1
1 1527 . 12 1 1 A 128 128 SER CA C 650 58.451 58.901 -0.450 1
1 1528 . 12 1 1 A 128 128 SER CB C 650 63.763 61.884 1.879 1
1 1529 . 12 1 1 A 128 128 SER N N 650 117.667 113.908 3.759 1
1 1 . 13 1 1 A 2 2 SER HA H -3 4.607 5.341 -0.734 1
1 4 . 13 1 1 A 2 2 SER C C -3 174.489 173.072 1.417 1
1 5 . 13 1 1 A 2 2 SER CA C -3 56.994 57.683 -0.689 1
1 6 . 13 1 1 A 2 2 SER CB C -3 64.641 66.126 -1.485 1
1 7 . 13 1 1 A 2 2 SER N N -3 115.970 115.787 0.183 1
1 8 . 13 1 1 A 3 3 HIS H H -2 8.138 9.229 -1.091 1
1 9 . 13 1 1 A 3 3 HIS HA H -2 4.558 5.462 -0.904 1
1 13 . 13 1 1 A 3 3 HIS C C -2 176.502 172.435 4.067 1
1 14 . 13 1 1 A 3 3 HIS CA C -2 56.164 54.389 1.775 1
1 15 . 13 1 1 A 3 3 HIS CB C -2 30.643 32.730 -2.087 1
1 17 . 13 1 1 A 3 3 HIS N N -2 122.640 119.968 2.672 1
1 39 . 13 1 1 A 6 6 THR H H 528 7.755 8.659 -0.904 1
1 40 . 13 1 1 A 6 6 THR HA H 528 5.155 4.623 0.532 1
1 45 . 13 1 1 A 6 6 THR C C 528 174.544 174.124 0.420 1
1 46 . 13 1 1 A 6 6 THR CA C 528 60.657 62.778 -2.121 1
1 47 . 13 1 1 A 6 6 THR CB C 528 68.218 69.703 -1.485 1
1 49 . 13 1 1 A 6 6 THR N N 528 118.293 116.234 2.059 1
1 50 . 13 1 1 A 7 7 VAL H H 529 8.966 8.449 0.517 1
1 51 . 13 1 1 A 7 7 VAL HA H 529 4.240 4.773 -0.533 1
1 59 . 13 1 1 A 7 7 VAL C C 529 174.012 174.357 -0.345 1
1 60 . 13 1 1 A 7 7 VAL CA C 529 58.309 58.768 -0.459 1
1 61 . 13 1 1 A 7 7 VAL CB C 529 35.661 35.686 -0.025 1
1 64 . 13 1 1 A 7 7 VAL N N 529 121.381 118.489 2.892 1
1 65 . 13 1 1 A 8 8 SER H H 530 8.193 8.656 -0.463 1
1 66 . 13 1 1 A 8 8 SER HA H 530 4.825 5.081 -0.256 1
1 69 . 13 1 1 A 8 8 SER C C 530 172.908 173.281 -0.373 1
1 70 . 13 1 1 A 8 8 SER CA C 530 55.790 56.285 -0.495 1
1 71 . 13 1 1 A 8 8 SER CB C 530 62.800 63.294 -0.494 1
1 72 . 13 1 1 A 8 8 SER N N 530 113.044 115.382 -2.338 1
1 73 . 13 1 1 A 9 9 TRP H H 531 7.595 8.476 -0.881 1
1 74 . 13 1 1 A 9 9 TRP HA H 531 5.353 5.191 0.162 1
1 83 . 13 1 1 A 9 9 TRP C C 531 177.031 176.394 0.637 1
1 84 . 13 1 1 A 9 9 TRP CA C 531 51.902 55.627 -3.725 1
1 85 . 13 1 1 A 9 9 TRP CB C 531 32.848 31.416 1.432 1
1 91 . 13 1 1 A 9 9 TRP N N 531 124.627 125.730 -1.103 1
1 93 . 13 1 1 A 10 10 ASN H H 532 9.312 8.894 0.418 1
1 94 . 13 1 1 A 10 10 ASN HA H 532 4.601 4.927 -0.326 1
1 99 . 13 1 1 A 10 10 ASN C C 532 175.214 176.388 -1.174 1
1 100 . 13 1 1 A 10 10 ASN CA C 532 51.428 52.300 -0.872 1
1 101 . 13 1 1 A 10 10 ASN CB C 532 38.140 40.136 -1.996 1
1 102 . 13 1 1 A 10 10 ASN N N 532 121.842 121.816 0.026 1
1 104 . 13 1 1 A 11 11 LEU H H 533 8.503 8.848 -0.345 1
1 105 . 13 1 1 A 11 11 LEU HA H 533 4.086 4.069 0.017 1
1 115 . 13 1 1 A 11 11 LEU C C 533 178.309 178.746 -0.437 1
1 116 . 13 1 1 A 11 11 LEU CA C 533 58.491 58.350 0.141 1
1 117 . 13 1 1 A 11 11 LEU CB C 533 41.525 41.896 -0.371 1
1 121 . 13 1 1 A 11 11 LEU N N 533 119.723 125.219 -5.496 1
1 122 . 13 1 1 A 12 12 ARG H H 534 8.057 8.689 -0.632 1
1 123 . 13 1 1 A 12 12 ARG HA H 534 3.840 4.083 -0.243 1
1 130 . 13 1 1 A 12 12 ARG C C 534 179.597 178.550 1.047 1
1 131 . 13 1 1 A 12 12 ARG CA C 534 59.873 59.060 0.813 1
1 132 . 13 1 1 A 12 12 ARG CB C 534 29.076 30.102 -1.026 1
1 135 . 13 1 1 A 12 12 ARG N N 534 117.711 118.552 -0.841 1
1 136 . 13 1 1 A 13 13 GLU H H 535 8.342 8.351 -0.009 1
1 137 . 13 1 1 A 13 13 GLU HA H 535 3.724 3.974 -0.250 1
1 142 . 13 1 1 A 13 13 GLU C C 535 179.948 179.571 0.377 1
1 143 . 13 1 1 A 13 13 GLU CA C 535 58.753 59.544 -0.791 1
1 144 . 13 1 1 A 13 13 GLU CB C 535 29.402 29.438 -0.036 1
1 146 . 13 1 1 A 13 13 GLU N N 535 121.501 119.836 1.665 1
1 147 . 13 1 1 A 14 14 MET H H 536 8.684 8.515 0.169 1
1 148 . 13 1 1 A 14 14 MET HA H 536 3.945 4.511 -0.566 1
1 156 . 13 1 1 A 14 14 MET C C 536 177.364 178.912 -1.548 1
1 157 . 13 1 1 A 14 14 MET CA C 536 60.550 58.836 1.714 1
1 158 . 13 1 1 A 14 14 MET CB C 536 34.412 32.970 1.442 1
1 161 . 13 1 1 A 14 14 MET N N 536 120.565 119.745 0.820 1
1 162 . 13 1 1 A 15 15 LEU H H 537 8.731 8.515 0.216 1
1 163 . 13 1 1 A 15 15 LEU HA H 537 3.970 4.150 -0.180 1
1 173 . 13 1 1 A 15 15 LEU C C 537 178.544 178.966 -0.422 1
1 174 . 13 1 1 A 15 15 LEU CA C 537 57.723 58.011 -0.288 1
1 175 . 13 1 1 A 15 15 LEU CB C 537 41.396 41.578 -0.182 1
1 179 . 13 1 1 A 15 15 LEU N N 537 118.710 119.674 -0.964 1
1 180 . 13 1 1 A 16 16 ALA H H 538 7.816 8.462 -0.646 1
1 181 . 13 1 1 A 16 16 ALA HA H 538 4.026 4.100 -0.074 1
1 185 . 13 1 1 A 16 16 ALA C C 538 180.374 179.284 1.090 1
1 186 . 13 1 1 A 16 16 ALA CA C 538 54.734 55.188 -0.454 1
1 187 . 13 1 1 A 16 16 ALA CB C 538 17.670 18.273 -0.603 1
1 188 . 13 1 1 A 16 16 ALA N N 538 120.155 121.420 -1.265 1
1 189 . 13 1 1 A 17 17 HIS H H 539 7.715 8.134 -0.419 1
1 190 . 13 1 1 A 17 17 HIS HA H 539 4.180 4.162 0.018 1
1 194 . 13 1 1 A 17 17 HIS C C 539 179.167 176.805 2.362 1
1 195 . 13 1 1 A 17 17 HIS CA C 539 59.392 59.602 -0.210 1
1 196 . 13 1 1 A 17 17 HIS CB C 539 29.094 29.472 -0.378 1
1 198 . 13 1 1 A 17 17 HIS N N 539 117.446 117.985 -0.539 1
1 199 . 13 1 1 A 18 18 ALA H H 540 8.995 8.253 0.742 1
1 200 . 13 1 1 A 18 18 ALA HA H 540 3.656 3.799 -0.143 1
1 204 . 13 1 1 A 18 18 ALA C C 540 180.803 179.869 0.934 1
1 205 . 13 1 1 A 18 18 ALA CA C 540 55.762 55.281 0.481 1
1 206 . 13 1 1 A 18 18 ALA CB C 540 18.380 18.130 0.250 1
1 207 . 13 1 1 A 18 18 ALA N N 540 124.222 121.119 3.103 1
1 208 . 13 1 1 A 19 19 GLU H H 541 8.840 8.388 0.452 1
1 209 . 13 1 1 A 19 19 GLU HA H 541 3.695 3.886 -0.191 1
1 214 . 13 1 1 A 19 19 GLU C C 541 178.479 179.042 -0.563 1
1 215 . 13 1 1 A 19 19 GLU CA C 541 59.695 59.683 0.012 1
1 216 . 13 1 1 A 19 19 GLU CB C 541 29.740 29.173 0.567 1
1 218 . 13 1 1 A 19 19 GLU N N 541 121.086 117.571 3.515 1
1 219 . 13 1 1 A 20 20 GLU H H 542 7.649 8.262 -0.613 1
1 220 . 13 1 1 A 20 20 GLU HA H 542 3.980 4.033 -0.053 1
1 225 . 13 1 1 A 20 20 GLU C C 542 178.212 178.733 -0.521 1
1 226 . 13 1 1 A 20 20 GLU CA C 542 58.593 59.193 -0.600 1
1 227 . 13 1 1 A 20 20 GLU CB C 542 30.293 29.555 0.738 1
1 229 . 13 1 1 A 20 20 GLU N N 542 117.027 119.617 -2.590 1
1 230 . 13 1 1 A 21 21 THR H H 543 7.588 7.902 -0.314 1
1 231 . 13 1 1 A 21 21 THR HA H 543 4.105 4.216 -0.111 1
1 236 . 13 1 1 A 21 21 THR C C 543 175.320 174.514 0.806 1
1 237 . 13 1 1 A 21 21 THR CA C 543 62.110 62.218 -0.108 1
1 238 . 13 1 1 A 21 21 THR CB C 543 70.747 69.138 1.609 1
1 240 . 13 1 1 A 21 21 THR N N 543 105.058 110.638 -5.580 1
1 241 . 13 1 1 A 22 22 ARG H H 544 7.678 7.582 0.096 1
1 242 . 13 1 1 A 22 22 ARG HA H 544 3.925 3.849 0.076 1
1 249 . 13 1 1 A 22 22 ARG C C 544 175.207 175.450 -0.243 1
1 250 . 13 1 1 A 22 22 ARG CA C 544 55.996 57.553 -1.557 1
1 251 . 13 1 1 A 22 22 ARG CB C 544 24.959 27.529 -2.570 1
1 254 . 13 1 1 A 22 22 ARG N N 544 116.694 116.546 0.148 1
1 255 . 13 1 1 A 23 23 LYS H H 545 6.931 7.325 -0.394 1
1 256 . 13 1 1 A 23 23 LYS HA H 545 4.169 4.233 -0.064 1
1 265 . 13 1 1 A 23 23 LYS C C 545 174.855 176.269 -1.414 1
1 266 . 13 1 1 A 23 23 LYS CA C 545 56.339 56.743 -0.404 1
1 267 . 13 1 1 A 23 23 LYS CB C 545 36.104 33.800 2.304 1
1 271 . 13 1 1 A 23 23 LYS N N 545 117.744 118.726 -0.982 1
1 272 . 13 1 1 A 24 24 LEU H H 546 7.898 7.767 0.131 1
1 273 . 13 1 1 A 24 24 LEU HA H 546 4.487 4.601 -0.114 1
1 283 . 13 1 1 A 24 24 LEU C C 546 175.730 175.225 0.505 1
1 284 . 13 1 1 A 24 24 LEU CA C 546 54.171 55.388 -1.217 1
1 285 . 13 1 1 A 24 24 LEU CB C 546 43.228 42.754 0.474 1
1 289 . 13 1 1 A 24 24 LEU N N 546 122.692 123.729 -1.037 1
1 290 . 13 1 1 A 25 25 MET H H 547 8.767 8.332 0.435 1
1 291 . 13 1 1 A 25 25 MET HA H 547 5.728 4.981 0.747 1
1 299 . 13 1 1 A 25 25 MET CA C 547 51.900 53.117 -1.217 1
1 300 . 13 1 1 A 25 25 MET CB C 547 34.876 35.724 -0.848 1
1 303 . 13 1 1 A 25 25 MET N N 547 126.346 125.252 1.094 1
1 304 . 13 1 1 A 26 26 PRO HA H 548 5.994 5.435 0.559 1
1 311 . 13 1 1 A 26 26 PRO C C 548 176.241 176.347 -0.106 1
1 312 . 13 1 1 A 26 26 PRO CA C 548 61.285 62.732 -1.447 1
1 313 . 13 1 1 A 26 26 PRO CB C 548 32.260 32.654 -0.394 1
1 316 . 13 1 1 A 27 27 ILE H H 549 9.054 8.889 0.165 1
1 317 . 13 1 1 A 27 27 ILE HA H 549 4.284 4.612 -0.328 1
1 327 . 13 1 1 A 27 27 ILE C C 549 173.407 175.122 -1.715 1
1 328 . 13 1 1 A 27 27 ILE CA C 549 57.503 60.002 -2.499 1
1 329 . 13 1 1 A 27 27 ILE CB C 549 41.581 41.430 0.151 1
1 333 . 13 1 1 A 27 27 ILE N N 549 126.281 121.628 4.653 1
1 334 . 13 1 1 A 28 28 CYS H H 550 8.459 8.621 -0.162 1
1 335 . 13 1 1 A 28 28 CYS HA H 550 3.704 3.260 0.444 1
1 339 . 13 1 1 A 28 28 CYS C C 550 174.180 175.918 -1.738 1
1 340 . 13 1 1 A 28 28 CYS CA C 550 56.873 59.074 -2.201 1
1 341 . 13 1 1 A 28 28 CYS CB C 550 27.537 28.485 -0.948 1
1 342 . 13 1 1 A 28 28 CYS N N 550 125.844 126.794 -0.950 1
1 343 . 13 1 1 A 29 29 MET H H 551 8.782 8.801 -0.019 1
1 344 . 13 1 1 A 29 29 MET HA H 551 4.637 3.947 0.690 1
1 352 . 13 1 1 A 29 29 MET C C 551 174.613 177.701 -3.088 1
1 353 . 13 1 1 A 29 29 MET CA C 551 56.871 57.881 -1.010 1
1 354 . 13 1 1 A 29 29 MET CB C 551 34.394 31.436 2.958 1
1 357 . 13 1 1 A 29 29 MET N N 551 127.467 126.862 0.605 1
1 358 . 13 1 1 A 30 30 ASP H H 552 7.308 7.689 -0.381 1
1 359 . 13 1 1 A 30 30 ASP HA H 552 4.562 4.332 0.230 1
1 362 . 13 1 1 A 30 30 ASP C C 552 175.386 176.776 -1.390 1
1 363 . 13 1 1 A 30 30 ASP CA C 552 54.371 56.338 -1.967 1
1 364 . 13 1 1 A 30 30 ASP CB C 552 41.751 40.870 0.881 1
1 365 . 13 1 1 A 30 30 ASP N N 552 117.209 120.637 -3.428 1
1 366 . 13 1 1 A 31 31 VAL H H 553 7.257 7.207 0.050 1
1 367 . 13 1 1 A 31 31 VAL HA H 553 4.057 4.237 -0.180 1
1 375 . 13 1 1 A 31 31 VAL C C 553 175.729 177.060 -1.331 1
1 376 . 13 1 1 A 31 31 VAL CA C 553 61.834 62.146 -0.312 1
1 377 . 13 1 1 A 31 31 VAL CB C 553 30.034 29.576 0.458 1
1 380 . 13 1 1 A 31 31 VAL N N 553 120.645 117.793 2.852 1
1 381 . 13 1 1 A 32 32 ARG H H 554 8.412 8.462 -0.050 1
1 382 . 13 1 1 A 32 32 ARG HA H 554 3.794 3.970 -0.176 1
1 389 . 13 1 1 A 32 32 ARG C C 554 178.819 178.303 0.516 1
1 390 . 13 1 1 A 32 32 ARG CA C 554 59.725 58.698 1.027 1
1 391 . 13 1 1 A 32 32 ARG CB C 554 29.537 29.792 -0.255 1
1 394 . 13 1 1 A 32 32 ARG N N 554 130.554 124.428 6.126 1
1 395 . 13 1 1 A 33 33 ALA H H 555 9.094 7.847 1.247 1
1 396 . 13 1 1 A 33 33 ALA HA H 555 4.081 4.142 -0.061 1
1 400 . 13 1 1 A 33 33 ALA C C 555 180.716 179.123 1.593 1
1 401 . 13 1 1 A 33 33 ALA CA C 555 55.002 54.190 0.812 1
1 402 . 13 1 1 A 33 33 ALA CB C 555 18.462 18.300 0.162 1
1 403 . 13 1 1 A 33 33 ALA N N 555 119.862 121.377 -1.515 1
1 404 . 13 1 1 A 34 34 ILE H H 556 6.620 7.622 -1.002 1
1 405 . 13 1 1 A 34 34 ILE HA H 556 3.745 3.862 -0.117 1
1 415 . 13 1 1 A 34 34 ILE C C 556 177.540 178.046 -0.506 1
1 416 . 13 1 1 A 34 34 ILE CA C 556 64.101 64.479 -0.378 1
1 417 . 13 1 1 A 34 34 ILE CB C 556 38.397 37.912 0.485 1
1 421 . 13 1 1 A 34 34 ILE N N 556 116.216 117.973 -1.757 1
1 422 . 13 1 1 A 35 35 MET H H 557 7.619 8.170 -0.551 1
1 423 . 13 1 1 A 35 35 MET HA H 557 4.249 4.054 0.195 1
1 431 . 13 1 1 A 35 35 MET C C 557 178.737 178.712 0.025 1
1 432 . 13 1 1 A 35 35 MET CA C 557 56.113 58.567 -2.454 1
1 433 . 13 1 1 A 35 35 MET CB C 557 29.490 32.127 -2.637 1
1 436 . 13 1 1 A 35 35 MET N N 557 118.017 118.399 -0.382 1
1 437 . 13 1 1 A 36 36 ALA H H 558 8.410 8.060 0.350 1
1 438 . 13 1 1 A 36 36 ALA HA H 558 4.084 4.083 0.001 1
1 442 . 13 1 1 A 36 36 ALA C C 558 180.632 179.662 0.970 1
1 443 . 13 1 1 A 36 36 ALA CA C 558 55.024 55.123 -0.099 1
1 444 . 13 1 1 A 36 36 ALA CB C 558 17.698 18.369 -0.671 1
1 445 . 13 1 1 A 36 36 ALA N N 558 121.592 121.312 0.280 1
1 446 . 13 1 1 A 37 37 THR H H 559 7.294 8.070 -0.776 1
1 447 . 13 1 1 A 37 37 THR HA H 559 3.858 3.881 -0.023 1
1 452 . 13 1 1 A 37 37 THR C C 559 176.419 176.631 -0.212 1
1 453 . 13 1 1 A 37 37 THR CA C 559 66.590 67.164 -0.574 1
1 454 . 13 1 1 A 37 37 THR CB C 559 68.001 68.630 -0.629 1
1 456 . 13 1 1 A 37 37 THR N N 559 115.835 114.436 1.399 1
1 457 . 13 1 1 A 38 38 ILE H H 560 8.109 7.967 0.142 1
1 458 . 13 1 1 A 38 38 ILE HA H 560 3.698 3.853 -0.155 1
1 468 . 13 1 1 A 38 38 ILE C C 560 176.934 178.198 -1.264 1
1 469 . 13 1 1 A 38 38 ILE CA C 560 65.952 64.975 0.977 1
1 470 . 13 1 1 A 38 38 ILE CB C 560 38.252 37.485 0.767 1
1 474 . 13 1 1 A 38 38 ILE N N 560 121.886 121.660 0.226 1
1 475 . 13 1 1 A 39 39 GLN H H 561 8.425 8.801 -0.376 1
1 476 . 13 1 1 A 39 39 GLN HA H 561 3.809 4.278 -0.469 1
1 483 . 13 1 1 A 39 39 GLN C C 561 177.126 178.616 -1.490 1
1 484 . 13 1 1 A 39 39 GLN CA C 561 58.751 59.155 -0.404 1
1 485 . 13 1 1 A 39 39 GLN CB C 561 29.255 28.318 0.937 1
1 487 . 13 1 1 A 39 39 GLN N N 561 116.211 118.223 -2.012 1
1 489 . 13 1 1 A 40 40 ARG H H 562 7.334 8.359 -1.025 1
1 490 . 13 1 1 A 40 40 ARG HA H 562 4.092 4.042 0.050 1
1 497 . 13 1 1 A 40 40 ARG C C 562 177.186 178.695 -1.509 1
1 498 . 13 1 1 A 40 40 ARG CA C 562 57.837 59.272 -1.435 1
1 499 . 13 1 1 A 40 40 ARG CB C 562 30.668 30.308 0.360 1
1 502 . 13 1 1 A 40 40 ARG N N 562 116.464 120.772 -4.308 1
1 503 . 13 1 1 A 41 41 LYS H H 563 7.802 7.562 0.240 1
1 504 . 13 1 1 A 41 41 LYS HA H 563 3.926 4.067 -0.141 1
1 513 . 13 1 1 A 41 41 LYS C C 563 176.735 177.006 -0.271 1
1 514 . 13 1 1 A 41 41 LYS CA C 563 57.866 58.682 -0.816 1
1 515 . 13 1 1 A 41 41 LYS CB C 563 33.314 32.758 0.556 1
1 519 . 13 1 1 A 41 41 LYS N N 563 118.658 119.085 -0.427 1
1 520 . 13 1 1 A 42 42 TYR H H 564 8.208 8.585 -0.377 1
1 521 . 13 1 1 A 42 42 TYR HA H 564 4.786 4.977 -0.191 1
1 528 . 13 1 1 A 42 42 TYR C C 564 174.346 175.964 -1.618 1
1 529 . 13 1 1 A 42 42 TYR CA C 564 55.497 57.080 -1.583 1
1 530 . 13 1 1 A 42 42 TYR CB C 564 36.075 37.002 -0.927 1
1 533 . 13 1 1 A 42 42 TYR N N 564 121.157 118.058 3.099 1
1 534 . 13 1 1 A 43 43 LYS H H 565 7.212 8.520 -1.308 1
1 535 . 13 1 1 A 43 43 LYS HA H 565 4.081 4.508 -0.427 1
1 544 . 13 1 1 A 43 43 LYS C C 565 179.082 179.008 0.074 1
1 545 . 13 1 1 A 43 43 LYS CA C 565 58.075 58.253 -0.178 1
1 546 . 13 1 1 A 43 43 LYS CB C 565 32.157 33.073 -0.916 1
1 550 . 13 1 1 A 43 43 LYS N N 565 119.412 125.865 -6.453 1
1 551 . 13 1 1 A 44 44 GLY H H 566 9.179 8.023 1.156 1
1 552 . 13 1 1 A 44 44 GLY HA2 H 566 3.607 3.822 -0.215 1
1 553 . 13 1 1 A 44 44 GLY HA3 H 566 4.252 3.836 0.416 1
1 554 . 13 1 1 A 44 44 GLY C C 566 173.990 174.031 -0.041 1
1 555 . 13 1 1 A 44 44 GLY CA C 566 44.860 46.054 -1.194 1
1 556 . 13 1 1 A 44 44 GLY N N 566 114.958 106.994 7.964 1
1 557 . 13 1 1 A 45 45 ILE H H 567 7.604 7.129 0.475 1
1 558 . 13 1 1 A 45 45 ILE HA H 567 2.533 3.840 -1.307 1
1 568 . 13 1 1 A 45 45 ILE C C 567 172.893 174.925 -2.032 1
1 569 . 13 1 1 A 45 45 ILE CA C 567 61.754 61.166 0.588 1
1 570 . 13 1 1 A 45 45 ILE CB C 567 38.302 38.532 -0.230 1
1 574 . 13 1 1 A 45 45 ILE N N 567 122.496 121.539 0.957 1
1 575 . 13 1 1 A 46 46 LYS H H 568 7.733 8.652 -0.919 1
1 576 . 13 1 1 A 46 46 LYS HA H 568 4.307 5.043 -0.736 1
1 585 . 13 1 1 A 46 46 LYS C C 568 174.772 175.584 -0.812 1
1 586 . 13 1 1 A 46 46 LYS CA C 568 54.069 54.278 -0.209 1
1 587 . 13 1 1 A 46 46 LYS CB C 568 31.741 36.260 -4.519 1
1 591 . 13 1 1 A 46 46 LYS N N 568 128.712 126.494 2.218 1
1 592 . 13 1 1 A 47 47 ILE H H 569 8.081 8.389 -0.308 1
1 593 . 13 1 1 A 47 47 ILE HA H 569 3.166 4.149 -0.983 1
1 603 . 13 1 1 A 47 47 ILE CA C 569 61.564 61.395 0.169 1
1 604 . 13 1 1 A 47 47 ILE CB C 569 36.718 37.868 -1.150 1
1 608 . 13 1 1 A 47 47 ILE N N 569 124.424 123.148 1.276 1
1 609 . 13 1 1 A 48 48 GLN H H 570 6.700 9.016 -2.316 1
1 610 . 13 1 1 A 48 48 GLN HA H 570 4.205 5.023 -0.818 1
1 617 . 13 1 1 A 48 48 GLN CA C 570 53.129 54.361 -1.232 1
1 618 . 13 1 1 A 48 48 GLN CB C 570 31.211 32.867 -1.656 1
1 620 . 13 1 1 A 48 48 GLN N N 570 122.748 123.127 -0.379 1
1 622 . 13 1 1 A 49 49 GLU H H 571 8.218 8.615 -0.397 1
1 623 . 13 1 1 A 49 49 GLU HA H 571 3.727 4.458 -0.731 1
1 628 . 13 1 1 A 49 49 GLU CA C 571 57.976 56.334 1.642 1
1 629 . 13 1 1 A 49 49 GLU CB C 571 30.954 28.114 2.840 1
1 631 . 13 1 1 A 49 49 GLU N N 571 116.531 121.688 -5.157 1
1 632 . 13 1 1 A 50 50 GLY H H 572 8.967 7.830 1.137 1
1 633 . 13 1 1 A 50 50 GLY HA2 H 572 2.810 4.201 -1.391 1
1 634 . 13 1 1 A 50 50 GLY HA3 H 572 4.198 4.303 -0.105 1
1 635 . 13 1 1 A 50 50 GLY CA C 572 43.607 45.972 -2.365 1
1 636 . 13 1 1 A 50 50 GLY N N 572 111.469 109.057 2.412 1
1 637 . 13 1 1 A 51 51 ILE H H 573 8.410 8.767 -0.357 1
1 638 . 13 1 1 A 51 51 ILE HA H 573 4.916 4.665 0.251 1
1 648 . 13 1 1 A 51 51 ILE CA C 573 61.137 62.299 -1.162 1
1 649 . 13 1 1 A 51 51 ILE CB C 573 38.165 38.579 -0.414 1
1 653 . 13 1 1 A 51 51 ILE N N 573 120.591 122.690 -2.099 1
1 654 . 13 1 1 A 52 52 VAL H H 574 8.900 8.653 0.247 1
1 655 . 13 1 1 A 52 52 VAL HA H 574 4.073 4.875 -0.802 1
1 663 . 13 1 1 A 52 52 VAL CA C 574 62.516 60.186 2.330 1
1 664 . 13 1 1 A 52 52 VAL CB C 574 35.957 34.857 1.100 1
1 667 . 13 1 1 A 52 52 VAL N N 574 131.435 125.325 6.110 1
1 668 . 13 1 1 A 53 53 ASP H H 575 8.731 9.046 -0.315 1
1 669 . 13 1 1 A 53 53 ASP HA H 575 4.953 4.928 0.025 1
1 672 . 13 1 1 A 53 53 ASP CA C 575 52.137 53.037 -0.900 1
1 673 . 13 1 1 A 53 53 ASP CB C 575 40.659 40.948 -0.289 1
1 674 . 13 1 1 A 53 53 ASP N N 575 126.463 130.080 -3.617 1
1 675 . 13 1 1 A 54 54 TYR H H 576 8.639 8.578 0.061 1
1 676 . 13 1 1 A 54 54 TYR HA H 576 4.407 4.918 -0.511 1
1 683 . 13 1 1 A 54 54 TYR CA C 576 57.833 57.853 -0.020 1
1 684 . 13 1 1 A 54 54 TYR CB C 576 38.634 41.032 -2.398 1
1 687 . 13 1 1 A 54 54 TYR N N 576 131.097 126.594 4.503 1
1 688 . 13 1 1 A 55 55 GLY H H 577 8.388 9.004 -0.616 1
1 689 . 13 1 1 A 55 55 GLY HA2 H 577 3.056 3.834 -0.778 1
1 690 . 13 1 1 A 55 55 GLY HA3 H 577 4.307 3.928 0.379 1
1 691 . 13 1 1 A 55 55 GLY CA C 577 46.347 45.675 0.672 1
1 692 . 13 1 1 A 55 55 GLY N N 577 115.719 116.636 -0.917 1
1 693 . 13 1 1 A 56 56 VAL H H 578 7.143 7.901 -0.758 1
1 694 . 13 1 1 A 56 56 VAL HA H 578 3.410 4.351 -0.941 1
1 702 . 13 1 1 A 56 56 VAL CA C 578 60.335 60.197 0.138 1
1 703 . 13 1 1 A 56 56 VAL CB C 578 35.027 34.474 0.553 1
1 706 . 13 1 1 A 56 56 VAL N N 578 124.853 120.079 4.774 1
1 707 . 13 1 1 A 57 57 ARG H H 579 8.091 8.235 -0.144 1
1 708 . 13 1 1 A 57 57 ARG HA H 579 4.292 4.634 -0.342 1
1 715 . 13 1 1 A 57 57 ARG CA C 579 55.039 55.521 -0.482 1
1 716 . 13 1 1 A 57 57 ARG CB C 579 29.224 30.739 -1.515 1
1 719 . 13 1 1 A 57 57 ARG N N 579 124.754 125.643 -0.889 1
1 720 . 13 1 1 A 58 58 PHE H H 580 8.499 9.405 -0.906 1
1 721 . 13 1 1 A 58 58 PHE HA H 580 4.647 5.269 -0.622 1
1 729 . 13 1 1 A 58 58 PHE CA C 580 57.563 56.292 1.271 1
1 730 . 13 1 1 A 58 58 PHE CB C 580 42.026 42.903 -0.877 1
1 734 . 13 1 1 A 58 58 PHE N N 580 124.105 122.395 1.710 1
1 735 . 13 1 1 A 59 59 PHE H H 581 7.683 8.741 -1.058 1
1 736 . 13 1 1 A 59 59 PHE HA H 581 4.689 5.071 -0.382 1
1 743 . 13 1 1 A 59 59 PHE CA C 581 56.662 56.798 -0.136 1
1 744 . 13 1 1 A 59 59 PHE CB C 581 41.024 40.190 0.834 1
1 747 . 13 1 1 A 59 59 PHE N N 581 119.707 122.581 -2.874 1
1 748 . 13 1 1 A 60 60 PHE H H 582 8.898 8.624 0.274 1
1 749 . 13 1 1 A 60 60 PHE HA H 582 5.563 5.032 0.531 1
1 757 . 13 1 1 A 60 60 PHE CA C 582 57.615 58.233 -0.618 1
1 758 . 13 1 1 A 60 60 PHE CB C 582 39.539 40.191 -0.652 1
1 762 . 13 1 1 A 60 60 PHE N N 582 127.157 126.355 0.802 1
1 763 . 13 1 1 A 61 61 TYR H H 583 8.441 8.534 -0.093 1
1 764 . 13 1 1 A 61 61 TYR HA H 583 5.301 5.068 0.233 1
1 771 . 13 1 1 A 61 61 TYR CA C 583 54.556 55.905 -1.349 1
1 772 . 13 1 1 A 61 61 TYR CB C 583 41.444 40.393 1.051 1
1 775 . 13 1 1 A 61 61 TYR N N 583 119.072 117.887 1.185 1
1 776 . 13 1 1 A 62 62 THR H H 584 9.444 7.987 1.457 1
1 777 . 13 1 1 A 62 62 THR HA H 584 4.680 4.845 -0.165 1
1 782 . 13 1 1 A 62 62 THR CA C 584 59.784 59.935 -0.151 1
1 783 . 13 1 1 A 62 62 THR CB C 584 71.274 70.617 0.657 1
1 785 . 13 1 1 A 62 62 THR N N 584 113.469 113.393 0.076 1
1 786 . 13 1 1 A 63 63 SER H H 585 9.092 9.284 -0.192 1
1 787 . 13 1 1 A 63 63 SER HA H 585 4.685 4.281 0.404 1
1 790 . 13 1 1 A 63 63 SER CA C 585 59.665 61.774 -2.109 1
1 791 . 13 1 1 A 63 63 SER CB C 585 62.835 62.831 0.004 1
1 792 . 13 1 1 A 63 63 SER N N 585 114.155 119.863 -5.708 1
1 793 . 13 1 1 A 64 64 LYS H H 586 7.484 7.926 -0.442 1
1 794 . 13 1 1 A 64 64 LYS HA H 586 4.074 4.357 -0.283 1
1 803 . 13 1 1 A 64 64 LYS CA C 586 55.960 58.920 -2.960 1
1 804 . 13 1 1 A 64 64 LYS CB C 586 32.662 32.566 0.096 1
1 808 . 13 1 1 A 64 64 LYS N N 586 118.230 118.104 0.126 1
1 809 . 13 1 1 A 65 65 GLU H H 587 7.194 7.535 -0.341 1
1 810 . 13 1 1 A 65 65 GLU HA H 587 4.584 4.478 0.106 1
1 815 . 13 1 1 A 65 65 GLU CA C 587 53.443 55.222 -1.779 1
1 816 . 13 1 1 A 65 65 GLU CB C 587 30.381 29.293 1.088 1
1 818 . 13 1 1 A 65 65 GLU N N 587 124.837 120.030 4.807 1
1 819 . 13 1 1 A 66 66 PRO HA H 588 4.506 4.524 -0.018 1
1 826 . 13 1 1 A 66 66 PRO CA C 588 62.620 63.206 -0.586 1
1 827 . 13 1 1 A 66 66 PRO CB C 588 32.368 31.988 0.380 1
1 830 . 13 1 1 A 67 67 VAL H H 589 8.545 8.000 0.545 1
1 831 . 13 1 1 A 67 67 VAL HA H 589 3.136 3.402 -0.266 1
1 839 . 13 1 1 A 67 67 VAL CA C 589 66.588 66.241 0.347 1
1 840 . 13 1 1 A 67 67 VAL CB C 589 30.979 31.456 -0.477 1
1 843 . 13 1 1 A 67 67 VAL N N 589 123.156 123.329 -0.173 1
1 844 . 13 1 1 A 68 68 ALA H H 590 8.700 8.546 0.154 1
1 845 . 13 1 1 A 68 68 ALA HA H 590 3.953 3.980 -0.027 1
1 849 . 13 1 1 A 68 68 ALA CA C 590 54.867 55.520 -0.653 1
1 850 . 13 1 1 A 68 68 ALA CB C 590 18.134 17.878 0.256 1
1 851 . 13 1 1 A 68 68 ALA N N 590 118.895 122.610 -3.715 1
1 852 . 13 1 1 A 69 69 SER H H 591 6.961 7.743 -0.782 1
1 853 . 13 1 1 A 69 69 SER HA H 591 4.195 4.210 -0.015 1
1 856 . 13 1 1 A 69 69 SER CA C 591 60.029 61.543 -1.514 1
1 857 . 13 1 1 A 69 69 SER CB C 591 62.045 62.915 -0.870 1
1 858 . 13 1 1 A 69 69 SER N N 591 111.445 113.224 -1.779 1
1 859 . 13 1 1 A 70 70 ILE H H 592 7.386 7.709 -0.323 1
1 860 . 13 1 1 A 70 70 ILE HA H 592 3.361 3.613 -0.252 1
1 870 . 13 1 1 A 70 70 ILE CA C 592 65.332 64.548 0.784 1
1 871 . 13 1 1 A 70 70 ILE CB C 592 38.427 37.318 1.109 1
1 875 . 13 1 1 A 70 70 ILE N N 592 122.407 121.034 1.373 1
1 876 . 13 1 1 A 71 71 ILE H H 593 8.332 8.433 -0.101 1
1 877 . 13 1 1 A 71 71 ILE HA H 593 3.256 3.539 -0.283 1
1 887 . 13 1 1 A 71 71 ILE CA C 593 65.023 65.271 -0.248 1
1 888 . 13 1 1 A 71 71 ILE CB C 593 36.662 38.076 -1.414 1
1 892 . 13 1 1 A 71 71 ILE N N 593 117.779 121.610 -3.831 1
1 893 . 13 1 1 A 72 72 THR H H 594 7.834 8.061 -0.227 1
1 894 . 13 1 1 A 72 72 THR HA H 594 3.845 3.949 -0.104 1
1 899 . 13 1 1 A 72 72 THR CA C 594 67.376 66.954 0.422 1
1 900 . 13 1 1 A 72 72 THR CB C 594 68.291 68.767 -0.476 1
1 902 . 13 1 1 A 72 72 THR N N 594 117.154 115.852 1.302 1
1 903 . 13 1 1 A 73 73 LYS H H 595 7.803 7.707 0.096 1
1 904 . 13 1 1 A 73 73 LYS HA H 595 3.936 4.059 -0.123 1
1 913 . 13 1 1 A 73 73 LYS CA C 595 59.853 59.643 0.210 1
1 914 . 13 1 1 A 73 73 LYS CB C 595 32.531 32.607 -0.076 1
1 918 . 13 1 1 A 73 73 LYS N N 595 122.657 120.683 1.974 1
1 919 . 13 1 1 A 74 74 LEU H H 596 8.088 7.893 0.195 1
1 920 . 13 1 1 A 74 74 LEU HA H 596 3.681 3.921 -0.240 1
1 930 . 13 1 1 A 74 74 LEU CA C 596 57.217 57.857 -0.640 1
1 931 . 13 1 1 A 74 74 LEU CB C 596 41.122 41.088 0.034 1
1 935 . 13 1 1 A 74 74 LEU N N 596 119.593 119.964 -0.371 1
1 936 . 13 1 1 A 75 75 ASN H H 597 8.949 8.234 0.715 1
1 937 . 13 1 1 A 75 75 ASN HA H 597 4.471 4.500 -0.029 1
1 942 . 13 1 1 A 75 75 ASN CA C 597 54.735 55.715 -0.980 1
1 943 . 13 1 1 A 75 75 ASN CB C 597 37.074 38.036 -0.962 1
1 944 . 13 1 1 A 75 75 ASN N N 597 121.103 118.663 2.440 1
1 946 . 13 1 1 A 76 76 SER H H 598 7.927 7.945 -0.018 1
1 947 . 13 1 1 A 76 76 SER HA H 598 4.137 4.199 -0.062 1
1 950 . 13 1 1 A 76 76 SER CA C 598 60.952 61.403 -0.451 1
1 951 . 13 1 1 A 76 76 SER CB C 598 62.516 62.652 -0.136 1
1 952 . 13 1 1 A 76 76 SER N N 598 116.716 114.428 2.288 1
1 953 . 13 1 1 A 77 77 LEU H H 599 7.543 7.473 0.070 1
1 954 . 13 1 1 A 77 77 LEU HA H 599 3.974 3.977 -0.003 1
1 964 . 13 1 1 A 77 77 LEU CA C 599 57.200 57.541 -0.341 1
1 965 . 13 1 1 A 77 77 LEU CB C 599 41.749 42.143 -0.394 1
1 969 . 13 1 1 A 77 77 LEU N N 599 121.292 123.620 -2.328 1
1 970 . 13 1 1 A 78 78 ASN H H 600 7.755 8.340 -0.585 1
1 971 . 13 1 1 A 78 78 ASN HA H 600 4.114 4.293 -0.179 1
1 976 . 13 1 1 A 78 78 ASN CA C 600 53.603 54.645 -1.042 1
1 977 . 13 1 1 A 78 78 ASN CB C 600 37.688 38.348 -0.660 1
1 978 . 13 1 1 A 78 78 ASN N N 600 113.272 117.544 -4.272 1
1 980 . 13 1 1 A 79 79 GLU H H 601 8.389 7.947 0.442 1
1 981 . 13 1 1 A 79 79 GLU HA H 601 4.675 4.512 0.163 1
1 986 . 13 1 1 A 79 79 GLU CA C 601 53.418 54.350 -0.932 1
1 987 . 13 1 1 A 79 79 GLU CB C 601 30.704 29.352 1.352 1
1 989 . 13 1 1 A 79 79 GLU N N 601 118.840 120.369 -1.529 1
1 990 . 13 1 1 A 80 80 PRO HA H 602 4.771 5.035 -0.264 1
1 997 . 13 1 1 A 80 80 PRO CA C 602 62.189 62.645 -0.456 1
1 998 . 13 1 1 A 80 80 PRO CB C 602 32.196 32.534 -0.338 1
1 1001 . 13 1 1 A 81 81 LEU H H 603 8.539 8.427 0.112 1
1 1002 . 13 1 1 A 81 81 LEU HA H 603 5.766 5.210 0.556 1
1 1012 . 13 1 1 A 81 81 LEU CA C 603 53.432 53.205 0.227 1
1 1013 . 13 1 1 A 81 81 LEU CB C 603 48.114 46.221 1.893 1
1 1017 . 13 1 1 A 81 81 LEU N N 603 118.455 121.585 -3.130 1
1 1018 . 13 1 1 A 82 82 VAL H H 604 8.322 8.381 -0.059 1
1 1019 . 13 1 1 A 82 82 VAL HA H 604 5.110 5.050 0.060 1
1 1027 . 13 1 1 A 82 82 VAL CA C 604 59.609 60.434 -0.825 1
1 1028 . 13 1 1 A 82 82 VAL CB C 604 34.100 35.340 -1.240 1
1 1031 . 13 1 1 A 82 82 VAL N N 604 121.259 120.391 0.868 1
1 1032 . 13 1 1 A 83 83 THR H H 605 8.570 8.798 -0.228 1
1 1033 . 13 1 1 A 83 83 THR HA H 605 5.107 4.798 0.309 1
1 1038 . 13 1 1 A 83 83 THR CA C 605 59.606 60.235 -0.629 1
1 1039 . 13 1 1 A 83 83 THR CB C 605 71.321 70.418 0.903 1
1 1041 . 13 1 1 A 83 83 THR N N 605 117.620 120.858 -3.238 1
1 1042 . 13 1 1 A 84 84 MET H H 606 8.288 8.620 -0.332 1
1 1043 . 13 1 1 A 84 84 MET HA H 606 5.310 4.789 0.521 1
1 1051 . 13 1 1 A 84 84 MET CA C 606 55.491 53.319 2.172 1
1 1052 . 13 1 1 A 84 84 MET CB C 606 31.549 33.685 -2.136 1
1 1055 . 13 1 1 A 84 84 MET N N 606 125.405 120.535 4.870 1
1 1056 . 13 1 1 A 85 85 PRO HA H 607 4.048 4.669 -0.621 1
1 1063 . 13 1 1 A 85 85 PRO CA C 607 63.608 62.695 0.913 1
1 1064 . 13 1 1 A 85 85 PRO CB C 607 31.291 31.672 -0.381 1
1 1067 . 13 1 1 A 86 86 ILE H H 608 8.326 8.562 -0.236 1
1 1068 . 13 1 1 A 86 86 ILE HA H 608 3.423 3.896 -0.473 1
1 1078 . 13 1 1 A 86 86 ILE CA C 608 63.457 64.315 -0.858 1
1 1079 . 13 1 1 A 86 86 ILE CB C 608 35.800 37.934 -2.134 1
1 1083 . 13 1 1 A 86 86 ILE N N 608 133.106 121.760 11.346 1
1 1084 . 13 1 1 A 87 87 GLY H H 609 8.549 8.043 0.506 1
1 1085 . 13 1 1 A 87 87 GLY HA2 H 609 3.448 3.729 -0.281 1
1 1086 . 13 1 1 A 87 87 GLY HA3 H 609 4.101 3.852 0.249 1
1 1087 . 13 1 1 A 87 87 GLY CA C 609 44.556 46.777 -2.221 1
1 1088 . 13 1 1 A 87 87 GLY N N 609 111.653 109.100 2.553 1
1 1089 . 13 1 1 A 88 88 TYR H H 610 7.224 8.365 -1.141 1
1 1090 . 13 1 1 A 88 88 TYR HA H 610 4.437 4.898 -0.461 1
1 1097 . 13 1 1 A 88 88 TYR CA C 610 57.670 56.752 0.918 1
1 1098 . 13 1 1 A 88 88 TYR CB C 610 38.604 39.849 -1.245 1
1 1101 . 13 1 1 A 88 88 TYR N N 610 121.537 123.966 -2.429 1
1 1102 . 13 1 1 A 89 89 VAL H H 611 8.953 7.930 1.023 1
1 1103 . 13 1 1 A 89 89 VAL HA H 611 3.065 3.547 -0.482 1
1 1111 . 13 1 1 A 89 89 VAL CA C 611 70.009 65.980 4.029 1
1 1112 . 13 1 1 A 89 89 VAL CB C 611 30.422 31.156 -0.734 1
1 1115 . 13 1 1 A 89 89 VAL N N 611 128.074 119.913 8.161 1
1 1116 . 13 1 1 A 90 90 THR H H 612 9.348 8.177 1.171 1
1 1117 . 13 1 1 A 90 90 THR HA H 612 3.810 4.073 -0.263 1
1 1122 . 13 1 1 A 90 90 THR CA C 612 64.727 65.432 -0.705 1
1 1123 . 13 1 1 A 90 90 THR CB C 612 68.005 67.913 0.092 1
1 1125 . 13 1 1 A 90 90 THR N N 612 117.972 114.844 3.128 1
1 1126 . 13 1 1 A 91 91 HIS H H 613 7.651 7.612 0.039 1
1 1127 . 13 1 1 A 91 91 HIS HA H 613 4.685 4.451 0.234 1
1 1131 . 13 1 1 A 91 91 HIS CA C 613 55.419 56.706 -1.287 1
1 1132 . 13 1 1 A 91 91 HIS CB C 613 29.092 29.589 -0.497 1
1 1134 . 13 1 1 A 91 91 HIS N N 613 119.034 120.536 -1.502 1
1 1135 . 13 1 1 A 92 92 GLY H H 614 7.655 7.878 -0.223 1
1 1136 . 13 1 1 A 92 92 GLY HA2 H 614 3.665 3.851 -0.186 1
1 1137 . 13 1 1 A 92 92 GLY HA3 H 614 4.095 3.861 0.234 1
1 1138 . 13 1 1 A 92 92 GLY CA C 614 45.035 46.749 -1.714 1
1 1139 . 13 1 1 A 92 92 GLY N N 614 106.031 107.906 -1.875 1
1 1140 . 13 1 1 A 93 93 PHE H H 615 6.716 7.966 -1.250 1
1 1141 . 13 1 1 A 93 93 PHE HA H 615 5.244 4.659 0.585 1
1 1149 . 13 1 1 A 93 93 PHE CA C 615 53.904 57.740 -3.836 1
1 1150 . 13 1 1 A 93 93 PHE CB C 615 38.587 41.057 -2.470 1
1 1154 . 13 1 1 A 93 93 PHE N N 615 116.220 117.725 -1.505 1
1 1155 . 13 1 1 A 94 94 ASN H H 616 9.141 8.685 0.456 1
1 1156 . 13 1 1 A 94 94 ASN HA H 616 4.956 5.280 -0.324 1
1 1161 . 13 1 1 A 94 94 ASN CA C 616 51.278 52.407 -1.129 1
1 1162 . 13 1 1 A 94 94 ASN CB C 616 37.692 39.678 -1.986 1
1 1163 . 13 1 1 A 94 94 ASN N N 616 122.153 119.126 3.027 1
1 1165 . 13 1 1 A 95 95 LEU H H 617 8.684 8.921 -0.237 1
1 1166 . 13 1 1 A 95 95 LEU HA H 617 3.831 3.924 -0.093 1
1 1176 . 13 1 1 A 95 95 LEU CA C 617 58.457 58.223 0.234 1
1 1177 . 13 1 1 A 95 95 LEU CB C 617 41.985 41.255 0.730 1
1 1181 . 13 1 1 A 95 95 LEU N N 617 119.153 121.766 -2.613 1
1 1182 . 13 1 1 A 96 96 GLU H H 618 7.747 8.017 -0.270 1
1 1183 . 13 1 1 A 96 96 GLU HA H 618 2.864 3.278 -0.414 1
1 1188 . 13 1 1 A 96 96 GLU CA C 618 59.402 58.964 0.438 1
1 1189 . 13 1 1 A 96 96 GLU CB C 618 28.323 28.611 -0.288 1
1 1191 . 13 1 1 A 96 96 GLU N N 618 120.199 118.832 1.367 1
1 1192 . 13 1 1 A 97 97 GLU H H 619 8.503 8.050 0.453 1
1 1193 . 13 1 1 A 97 97 GLU HA H 619 3.497 3.899 -0.402 1
1 1198 . 13 1 1 A 97 97 GLU CA C 619 58.251 59.021 -0.770 1
1 1199 . 13 1 1 A 97 97 GLU CB C 619 29.073 29.003 0.070 1
1 1201 . 13 1 1 A 97 97 GLU N N 619 118.988 118.229 0.759 1
1 1202 . 13 1 1 A 98 98 ALA H H 620 8.311 8.598 -0.287 1
1 1203 . 13 1 1 A 98 98 ALA HA H 620 4.211 4.597 -0.386 1
1 1207 . 13 1 1 A 98 98 ALA CA C 620 54.717 55.224 -0.507 1
1 1208 . 13 1 1 A 98 98 ALA CB C 620 18.635 18.088 0.547 1
1 1209 . 13 1 1 A 98 98 ALA N N 620 121.102 122.742 -1.640 1
1 1210 . 13 1 1 A 99 99 ALA H H 621 8.570 8.123 0.447 1
1 1211 . 13 1 1 A 99 99 ALA HA H 621 3.831 3.934 -0.103 1
1 1215 . 13 1 1 A 99 99 ALA CA C 621 55.004 55.070 -0.066 1
1 1216 . 13 1 1 A 99 99 ALA CB C 621 18.548 17.833 0.715 1
1 1217 . 13 1 1 A 99 99 ALA N N 621 121.431 119.756 1.675 1
1 1218 . 13 1 1 A 100 100 ARG H H 622 7.646 8.352 -0.706 1
1 1219 . 13 1 1 A 100 100 ARG HA H 622 3.636 4.047 -0.411 1
1 1226 . 13 1 1 A 100 100 ARG CA C 622 59.556 59.695 -0.139 1
1 1227 . 13 1 1 A 100 100 ARG CB C 622 29.420 29.970 -0.550 1
1 1230 . 13 1 1 A 100 100 ARG N N 622 114.812 117.207 -2.395 1
1 1231 . 13 1 1 A 101 101 CYS H H 623 7.503 8.404 -0.901 1
1 1232 . 13 1 1 A 101 101 CYS HA H 623 4.081 4.155 -0.074 1
1 1235 . 13 1 1 A 101 101 CYS CA C 623 62.364 62.429 -0.065 1
1 1236 . 13 1 1 A 101 101 CYS CB C 623 26.301 27.264 -0.963 1
1 1237 . 13 1 1 A 101 101 CYS N N 623 118.667 118.931 -0.264 1
1 1238 . 13 1 1 A 102 102 MET H H 624 8.332 8.330 0.002 1
1 1239 . 13 1 1 A 102 102 MET HA H 624 4.165 4.261 -0.096 1
1 1247 . 13 1 1 A 102 102 MET CA C 624 55.808 57.923 -2.115 1
1 1248 . 13 1 1 A 102 102 MET CB C 624 30.500 31.851 -1.351 1
1 1251 . 13 1 1 A 102 102 MET N N 624 119.480 119.679 -0.199 1
1 1252 . 13 1 1 A 103 103 ARG H H 625 7.505 7.505 0.000 1
1 1253 . 13 1 1 A 103 103 ARG HA H 625 4.022 4.249 -0.227 1
1 1260 . 13 1 1 A 103 103 ARG CA C 625 58.658 59.054 -0.396 1
1 1261 . 13 1 1 A 103 103 ARG CB C 625 30.413 29.945 0.468 1
1 1264 . 13 1 1 A 103 103 ARG N N 625 120.614 118.430 2.184 1
1 1265 . 13 1 1 A 104 104 SER H H 626 7.635 7.912 -0.277 1
1 1266 . 13 1 1 A 104 104 SER HA H 626 4.278 4.345 -0.067 1
1 1269 . 13 1 1 A 104 104 SER CA C 626 58.925 60.240 -1.315 1
1 1270 . 13 1 1 A 104 104 SER CB C 626 63.785 63.014 0.771 1
1 1271 . 13 1 1 A 104 104 SER N N 626 111.144 115.063 -3.919 1
1 1272 . 13 1 1 A 105 105 LEU H H 627 7.602 7.491 0.111 1
1 1273 . 13 1 1 A 105 105 LEU HA H 627 4.387 4.614 -0.227 1
1 1283 . 13 1 1 A 105 105 LEU CA C 627 55.025 55.289 -0.264 1
1 1284 . 13 1 1 A 105 105 LEU CB C 627 42.360 42.535 -0.175 1
1 1288 . 13 1 1 A 105 105 LEU N N 627 125.064 122.078 2.986 1
1 1289 . 13 1 1 A 106 106 LYS H H 628 9.724 9.106 0.618 1
1 1290 . 13 1 1 A 106 106 LYS HA H 628 4.244 4.568 -0.324 1
1 1299 . 13 1 1 A 106 106 LYS CA C 628 54.781 55.680 -0.899 1
1 1300 . 13 1 1 A 106 106 LYS CB C 628 33.456 32.841 0.615 1
1 1304 . 13 1 1 A 106 106 LYS N N 628 128.616 126.190 2.426 1
1 1305 . 13 1 1 A 107 107 ALA H H 629 6.593 7.534 -0.941 1
1 1306 . 13 1 1 A 107 107 ALA HA H 629 4.420 4.643 -0.223 1
1 1310 . 13 1 1 A 107 107 ALA CA C 629 50.003 50.066 -0.063 1
1 1311 . 13 1 1 A 107 107 ALA CB C 629 17.219 20.922 -3.703 1
1 1312 . 13 1 1 A 107 107 ALA N N 629 124.084 123.001 1.083 1
1 1313 . 13 1 1 A 108 108 PRO HA H 630 4.302 4.829 -0.527 1
1 1320 . 13 1 1 A 108 108 PRO CA C 630 62.816 62.538 0.278 1
1 1321 . 13 1 1 A 108 108 PRO CB C 630 31.743 32.207 -0.464 1
1 1324 . 13 1 1 A 109 109 ALA H H 631 7.898 8.292 -0.394 1
1 1325 . 13 1 1 A 109 109 ALA HA H 631 5.092 4.910 0.182 1
1 1329 . 13 1 1 A 109 109 ALA CA C 631 50.966 51.101 -0.135 1
1 1330 . 13 1 1 A 109 109 ALA CB C 631 22.217 23.212 -0.995 1
1 1331 . 13 1 1 A 109 109 ALA N N 631 122.466 121.615 0.851 1
1 1332 . 13 1 1 A 110 110 VAL H H 632 8.071 8.776 -0.705 1
1 1333 . 13 1 1 A 110 110 VAL HA H 632 4.167 4.441 -0.274 1
1 1341 . 13 1 1 A 110 110 VAL CA C 632 61.685 62.315 -0.630 1
1 1342 . 13 1 1 A 110 110 VAL CB C 632 32.856 31.899 0.957 1
1 1345 . 13 1 1 A 110 110 VAL N N 632 125.531 120.910 4.621 1
1 1346 . 13 1 1 A 111 111 VAL H H 633 8.182 8.651 -0.469 1
1 1347 . 13 1 1 A 111 111 VAL HA H 633 4.731 4.858 -0.127 1
1 1355 . 13 1 1 A 111 111 VAL CA C 633 59.473 60.991 -1.518 1
1 1356 . 13 1 1 A 111 111 VAL CB C 633 32.919 33.912 -0.993 1
1 1359 . 13 1 1 A 111 111 VAL N N 633 128.148 128.102 0.046 1
1 1360 . 13 1 1 A 112 112 SER H H 634 8.591 8.462 0.129 1
1 1361 . 13 1 1 A 112 112 SER HA H 634 4.920 5.361 -0.441 1
1 1364 . 13 1 1 A 112 112 SER CA C 634 53.905 56.200 -2.295 1
1 1365 . 13 1 1 A 112 112 SER CB C 634 64.651 66.329 -1.678 1
1 1366 . 13 1 1 A 112 112 SER N N 634 119.276 120.446 -1.170 1
1 1367 . 13 1 1 A 113 113 VAL H H 635 8.503 8.328 0.175 1
1 1368 . 13 1 1 A 113 113 VAL HA H 635 4.522 4.424 0.098 1
1 1376 . 13 1 1 A 113 113 VAL CA C 635 59.398 58.958 0.440 1
1 1377 . 13 1 1 A 113 113 VAL CB C 635 32.548 35.490 -2.942 1
1 1380 . 13 1 1 A 113 113 VAL N N 635 118.886 119.195 -0.309 1
1 1381 . 13 1 1 A 114 114 SER H H 636 8.263 8.634 -0.371 1
1 1382 . 13 1 1 A 114 114 SER HA H 636 3.940 4.346 -0.406 1
1 1385 . 13 1 1 A 114 114 SER CA C 636 61.597 61.316 0.281 1
1 1386 . 13 1 1 A 114 114 SER CB C 636 63.321 63.501 -0.180 1
1 1387 . 13 1 1 A 114 114 SER N N 636 112.710 118.326 -5.616 1
1 1388 . 13 1 1 A 115 115 SER H H 637 7.269 7.743 -0.474 1
1 1389 . 13 1 1 A 115 115 SER HA H 637 4.956 4.963 -0.007 1
1 1392 . 13 1 1 A 115 115 SER CA C 637 55.674 56.133 -0.459 1
1 1393 . 13 1 1 A 115 115 SER CB C 637 64.074 65.765 -1.691 1
1 1394 . 13 1 1 A 115 115 SER N N 637 114.537 113.331 1.206 1
1 1395 . 13 1 1 A 116 116 PRO HA H 638 4.186 4.397 -0.211 1
1 1402 . 13 1 1 A 116 116 PRO CA C 638 65.021 64.703 0.318 1
1 1403 . 13 1 1 A 116 116 PRO CB C 638 31.908 32.039 -0.131 1
1 1406 . 13 1 1 A 117 117 ASP H H 639 8.161 8.440 -0.279 1
1 1407 . 13 1 1 A 117 117 ASP HA H 639 4.359 4.396 -0.037 1
1 1410 . 13 1 1 A 117 117 ASP CA C 639 55.928 57.046 -1.118 1
1 1411 . 13 1 1 A 117 117 ASP CB C 639 40.088 40.452 -0.364 1
1 1412 . 13 1 1 A 117 117 ASP N N 639 116.310 117.247 -0.937 1
1 1413 . 13 1 1 A 118 118 ALA H H 640 7.596 7.802 -0.206 1
1 1414 . 13 1 1 A 118 118 ALA HA H 640 4.225 4.120 0.105 1
1 1418 . 13 1 1 A 118 118 ALA CA C 640 52.964 54.435 -1.471 1
1 1419 . 13 1 1 A 118 118 ALA CB C 640 18.334 18.445 -0.111 1
1 1420 . 13 1 1 A 118 118 ALA N N 640 121.066 122.359 -1.293 1
1 1421 . 13 1 1 A 119 119 VAL H H 641 7.280 7.497 -0.217 1
1 1422 . 13 1 1 A 119 119 VAL HA H 641 3.221 3.525 -0.304 1
1 1430 . 13 1 1 A 119 119 VAL CA C 641 66.608 67.109 -0.501 1
1 1431 . 13 1 1 A 119 119 VAL CB C 641 31.436 31.523 -0.087 1
1 1434 . 13 1 1 A 119 119 VAL N N 641 120.886 119.876 1.010 1
1 1435 . 13 1 1 A 120 120 THR H H 642 7.475 8.109 -0.634 1
1 1436 . 13 1 1 A 120 120 THR HA H 642 3.840 3.911 -0.071 1
1 1441 . 13 1 1 A 120 120 THR CA C 642 65.297 66.035 -0.738 1
1 1442 . 13 1 1 A 120 120 THR CB C 642 68.042 68.795 -0.753 1
1 1444 . 13 1 1 A 120 120 THR N N 642 112.821 116.147 -3.326 1
1 1445 . 13 1 1 A 121 121 THR H H 643 7.328 8.014 -0.686 1
1 1446 . 13 1 1 A 121 121 THR HA H 643 3.477 3.679 -0.202 1
1 1451 . 13 1 1 A 121 121 THR CA C 643 65.341 66.454 -1.113 1
1 1452 . 13 1 1 A 121 121 THR CB C 643 68.196 68.471 -0.275 1
1 1454 . 13 1 1 A 121 121 THR N N 643 119.194 117.361 1.833 1
1 1455 . 13 1 1 A 122 122 TYR H H 644 8.766 8.404 0.362 1
1 1456 . 13 1 1 A 122 122 TYR HA H 644 3.764 4.240 -0.476 1
1 1463 . 13 1 1 A 122 122 TYR CA C 644 62.340 61.925 0.415 1
1 1464 . 13 1 1 A 122 122 TYR CB C 644 39.106 38.709 0.397 1
1 1467 . 13 1 1 A 122 122 TYR N N 644 122.838 121.005 1.833 1
1 1468 . 13 1 1 A 123 123 ASN H H 645 8.290 8.693 -0.403 1
1 1469 . 13 1 1 A 123 123 ASN HA H 645 4.299 4.454 -0.155 1
1 1474 . 13 1 1 A 123 123 ASN CA C 645 55.018 56.101 -1.083 1
1 1475 . 13 1 1 A 123 123 ASN CB C 645 36.967 37.934 -0.967 1
1 1476 . 13 1 1 A 123 123 ASN N N 645 116.356 118.211 -1.855 1
1 1478 . 13 1 1 A 124 124 GLY H H 646 7.768 8.185 -0.417 1
1 1479 . 13 1 1 A 124 124 GLY HA2 H 646 3.639 3.526 0.113 1
1 1480 . 13 1 1 A 124 124 GLY HA3 H 646 3.707 3.648 0.059 1
1 1481 . 13 1 1 A 124 124 GLY CA C 646 46.521 47.103 -0.582 1
1 1482 . 13 1 1 A 124 124 GLY N N 646 108.260 108.568 -0.308 1
1 1483 . 13 1 1 A 125 125 TYR H H 647 7.386 7.580 -0.194 1
1 1484 . 13 1 1 A 125 125 TYR HA H 647 4.608 4.560 0.048 1
1 1491 . 13 1 1 A 125 125 TYR CA C 647 57.204 59.692 -2.488 1
1 1492 . 13 1 1 A 125 125 TYR CB C 647 37.557 37.570 -0.013 1
1 1495 . 13 1 1 A 125 125 TYR N N 647 120.587 121.260 -0.673 1
1 1496 . 13 1 1 A 126 126 LEU H H 648 7.802 8.040 -0.238 1
1 1497 . 13 1 1 A 126 126 LEU HA H 648 3.801 3.765 0.036 1
1 1507 . 13 1 1 A 126 126 LEU CA C 648 56.663 58.214 -1.551 1
1 1508 . 13 1 1 A 126 126 LEU CB C 648 42.298 41.996 0.302 1
1 1512 . 13 1 1 A 126 126 LEU N N 648 119.234 120.350 -1.116 1
1 1513 . 13 1 1 A 127 127 THR H H 649 7.473 7.899 -0.426 1
1 1514 . 13 1 1 A 127 127 THR HA H 649 4.238 4.180 0.058 1
1 1519 . 13 1 1 A 127 127 THR CA C 649 61.868 64.189 -2.321 1
1 1520 . 13 1 1 A 127 127 THR CB C 649 69.451 69.061 0.390 1
1 1522 . 13 1 1 A 127 127 THR N N 649 108.633 109.900 -1.267 1
1 1523 . 13 1 1 A 128 128 SER H H 650 7.696 8.241 -0.545 1
1 1524 . 13 1 1 A 128 128 SER HA H 650 4.439 4.828 -0.389 1
1 1527 . 13 1 1 A 128 128 SER CA C 650 58.451 57.503 0.948 1
1 1528 . 13 1 1 A 128 128 SER CB C 650 63.763 64.234 -0.471 1
1 1529 . 13 1 1 A 128 128 SER N N 650 117.667 117.229 0.438 1
1 1 . 14 1 1 A 2 2 SER HA H -3 4.607 4.456 0.151 1
1 4 . 14 1 1 A 2 2 SER C C -3 174.489 173.967 0.522 1
1 5 . 14 1 1 A 2 2 SER CA C -3 56.994 58.972 -1.978 1
1 6 . 14 1 1 A 2 2 SER CB C -3 64.641 64.145 0.496 1
1 7 . 14 1 1 A 2 2 SER N N -3 115.970 121.357 -5.387 1
1 8 . 14 1 1 A 3 3 HIS H H -2 8.138 8.968 -0.830 1
1 9 . 14 1 1 A 3 3 HIS HA H -2 4.558 5.254 -0.696 1
1 13 . 14 1 1 A 3 3 HIS C C -2 176.502 174.937 1.565 1
1 14 . 14 1 1 A 3 3 HIS CA C -2 56.164 54.521 1.643 1
1 15 . 14 1 1 A 3 3 HIS CB C -2 30.643 33.354 -2.711 1
1 17 . 14 1 1 A 3 3 HIS N N -2 122.640 121.154 1.486 1
1 39 . 14 1 1 A 6 6 THR H H 528 7.755 8.636 -0.881 1
1 40 . 14 1 1 A 6 6 THR HA H 528 5.155 5.031 0.124 1
1 45 . 14 1 1 A 6 6 THR C C 528 174.544 174.377 0.167 1
1 46 . 14 1 1 A 6 6 THR CA C 528 60.657 62.952 -2.295 1
1 47 . 14 1 1 A 6 6 THR CB C 528 68.218 70.114 -1.896 1
1 49 . 14 1 1 A 6 6 THR N N 528 118.293 116.053 2.240 1
1 50 . 14 1 1 A 7 7 VAL H H 529 8.966 8.952 0.014 1
1 51 . 14 1 1 A 7 7 VAL HA H 529 4.240 4.888 -0.648 1
1 59 . 14 1 1 A 7 7 VAL C C 529 174.012 174.796 -0.784 1
1 60 . 14 1 1 A 7 7 VAL CA C 529 58.309 58.899 -0.590 1
1 61 . 14 1 1 A 7 7 VAL CB C 529 35.661 35.493 0.168 1
1 64 . 14 1 1 A 7 7 VAL N N 529 121.381 119.772 1.609 1
1 65 . 14 1 1 A 8 8 SER H H 530 8.193 8.682 -0.489 1
1 66 . 14 1 1 A 8 8 SER HA H 530 4.825 4.771 0.054 1
1 69 . 14 1 1 A 8 8 SER C C 530 172.908 174.573 -1.665 1
1 70 . 14 1 1 A 8 8 SER CA C 530 55.790 56.599 -0.809 1
1 71 . 14 1 1 A 8 8 SER CB C 530 62.800 63.120 -0.320 1
1 72 . 14 1 1 A 8 8 SER N N 530 113.044 115.975 -2.931 1
1 73 . 14 1 1 A 9 9 TRP H H 531 7.595 7.665 -0.070 1
1 74 . 14 1 1 A 9 9 TRP HA H 531 5.353 4.811 0.542 1
1 83 . 14 1 1 A 9 9 TRP C C 531 177.031 176.049 0.982 1
1 84 . 14 1 1 A 9 9 TRP CA C 531 51.902 57.291 -5.389 1
1 85 . 14 1 1 A 9 9 TRP CB C 531 32.848 30.260 2.588 1
1 91 . 14 1 1 A 9 9 TRP N N 531 124.627 123.522 1.105 1
1 93 . 14 1 1 A 10 10 ASN H H 532 9.312 8.588 0.724 1
1 94 . 14 1 1 A 10 10 ASN HA H 532 4.601 5.170 -0.569 1
1 99 . 14 1 1 A 10 10 ASN C C 532 175.214 176.211 -0.997 1
1 100 . 14 1 1 A 10 10 ASN CA C 532 51.428 51.091 0.337 1
1 101 . 14 1 1 A 10 10 ASN CB C 532 38.140 40.263 -2.123 1
1 102 . 14 1 1 A 10 10 ASN N N 532 121.842 118.620 3.222 1
1 104 . 14 1 1 A 11 11 LEU H H 533 8.503 8.734 -0.231 1
1 105 . 14 1 1 A 11 11 LEU HA H 533 4.086 4.145 -0.059 1
1 115 . 14 1 1 A 11 11 LEU C C 533 178.309 178.630 -0.321 1
1 116 . 14 1 1 A 11 11 LEU CA C 533 58.491 58.242 0.249 1
1 117 . 14 1 1 A 11 11 LEU CB C 533 41.525 41.442 0.083 1
1 121 . 14 1 1 A 11 11 LEU N N 533 119.723 120.421 -0.698 1
1 122 . 14 1 1 A 12 12 ARG H H 534 8.057 8.100 -0.043 1
1 123 . 14 1 1 A 12 12 ARG HA H 534 3.840 4.093 -0.253 1
1 130 . 14 1 1 A 12 12 ARG C C 534 179.597 179.388 0.209 1
1 131 . 14 1 1 A 12 12 ARG CA C 534 59.873 59.620 0.253 1
1 132 . 14 1 1 A 12 12 ARG CB C 534 29.076 29.958 -0.882 1
1 135 . 14 1 1 A 12 12 ARG N N 534 117.711 119.812 -2.101 1
1 136 . 14 1 1 A 13 13 GLU H H 535 8.342 8.217 0.125 1
1 137 . 14 1 1 A 13 13 GLU HA H 535 3.724 4.074 -0.350 1
1 142 . 14 1 1 A 13 13 GLU C C 535 179.948 179.141 0.807 1
1 143 . 14 1 1 A 13 13 GLU CA C 535 58.753 59.068 -0.315 1
1 144 . 14 1 1 A 13 13 GLU CB C 535 29.402 29.538 -0.136 1
1 146 . 14 1 1 A 13 13 GLU N N 535 121.501 120.075 1.426 1
1 147 . 14 1 1 A 14 14 MET H H 536 8.684 8.434 0.250 1
1 148 . 14 1 1 A 14 14 MET HA H 536 3.945 4.311 -0.366 1
1 156 . 14 1 1 A 14 14 MET C C 536 177.364 179.071 -1.707 1
1 157 . 14 1 1 A 14 14 MET CA C 536 60.550 59.091 1.459 1
1 158 . 14 1 1 A 14 14 MET CB C 536 34.412 32.619 1.793 1
1 161 . 14 1 1 A 14 14 MET N N 536 120.565 120.007 0.558 1
1 162 . 14 1 1 A 15 15 LEU H H 537 8.731 8.602 0.129 1
1 163 . 14 1 1 A 15 15 LEU HA H 537 3.970 4.074 -0.104 1
1 173 . 14 1 1 A 15 15 LEU C C 537 178.544 178.980 -0.436 1
1 174 . 14 1 1 A 15 15 LEU CA C 537 57.723 58.114 -0.391 1
1 175 . 14 1 1 A 15 15 LEU CB C 537 41.396 41.744 -0.348 1
1 179 . 14 1 1 A 15 15 LEU N N 537 118.710 119.927 -1.217 1
1 180 . 14 1 1 A 16 16 ALA H H 538 7.816 8.202 -0.386 1
1 181 . 14 1 1 A 16 16 ALA HA H 538 4.026 4.139 -0.113 1
1 185 . 14 1 1 A 16 16 ALA C C 538 180.374 179.280 1.094 1
1 186 . 14 1 1 A 16 16 ALA CA C 538 54.734 55.067 -0.333 1
1 187 . 14 1 1 A 16 16 ALA CB C 538 17.670 18.333 -0.663 1
1 188 . 14 1 1 A 16 16 ALA N N 538 120.155 120.863 -0.708 1
1 189 . 14 1 1 A 17 17 HIS H H 539 7.715 8.519 -0.804 1
1 190 . 14 1 1 A 17 17 HIS HA H 539 4.180 4.216 -0.036 1
1 194 . 14 1 1 A 17 17 HIS C C 539 179.167 177.355 1.812 1
1 195 . 14 1 1 A 17 17 HIS CA C 539 59.392 59.671 -0.279 1
1 196 . 14 1 1 A 17 17 HIS CB C 539 29.094 29.596 -0.502 1
1 198 . 14 1 1 A 17 17 HIS N N 539 117.446 117.798 -0.352 1
1 199 . 14 1 1 A 18 18 ALA H H 540 8.995 8.753 0.242 1
1 200 . 14 1 1 A 18 18 ALA HA H 540 3.656 4.053 -0.397 1
1 204 . 14 1 1 A 18 18 ALA C C 540 180.803 179.974 0.829 1
1 205 . 14 1 1 A 18 18 ALA CA C 540 55.762 54.892 0.870 1
1 206 . 14 1 1 A 18 18 ALA CB C 540 18.380 18.123 0.257 1
1 207 . 14 1 1 A 18 18 ALA N N 540 124.222 121.111 3.111 1
1 208 . 14 1 1 A 19 19 GLU H H 541 8.840 7.884 0.956 1
1 209 . 14 1 1 A 19 19 GLU HA H 541 3.695 3.918 -0.223 1
1 214 . 14 1 1 A 19 19 GLU C C 541 178.479 178.254 0.225 1
1 215 . 14 1 1 A 19 19 GLU CA C 541 59.695 59.744 -0.049 1
1 216 . 14 1 1 A 19 19 GLU CB C 541 29.740 29.341 0.399 1
1 218 . 14 1 1 A 19 19 GLU N N 541 121.086 118.571 2.515 1
1 219 . 14 1 1 A 20 20 GLU H H 542 7.649 8.365 -0.716 1
1 220 . 14 1 1 A 20 20 GLU HA H 542 3.980 4.086 -0.106 1
1 225 . 14 1 1 A 20 20 GLU C C 542 178.212 178.732 -0.520 1
1 226 . 14 1 1 A 20 20 GLU CA C 542 58.593 59.272 -0.679 1
1 227 . 14 1 1 A 20 20 GLU CB C 542 30.293 29.308 0.985 1
1 229 . 14 1 1 A 20 20 GLU N N 542 117.027 119.307 -2.280 1
1 230 . 14 1 1 A 21 21 THR H H 543 7.588 7.864 -0.276 1
1 231 . 14 1 1 A 21 21 THR HA H 543 4.105 4.211 -0.106 1
1 236 . 14 1 1 A 21 21 THR C C 543 175.320 174.693 0.627 1
1 237 . 14 1 1 A 21 21 THR CA C 543 62.110 62.198 -0.088 1
1 238 . 14 1 1 A 21 21 THR CB C 543 70.747 69.143 1.604 1
1 240 . 14 1 1 A 21 21 THR N N 543 105.058 111.009 -5.951 1
1 241 . 14 1 1 A 22 22 ARG H H 544 7.678 7.776 -0.098 1
1 242 . 14 1 1 A 22 22 ARG HA H 544 3.925 4.017 -0.092 1
1 249 . 14 1 1 A 22 22 ARG C C 544 175.207 175.243 -0.036 1
1 250 . 14 1 1 A 22 22 ARG CA C 544 55.996 57.525 -1.529 1
1 251 . 14 1 1 A 22 22 ARG CB C 544 24.959 27.354 -2.395 1
1 254 . 14 1 1 A 22 22 ARG N N 544 116.694 116.927 -0.233 1
1 255 . 14 1 1 A 23 23 LYS H H 545 6.931 7.313 -0.382 1
1 256 . 14 1 1 A 23 23 LYS HA H 545 4.169 4.252 -0.083 1
1 265 . 14 1 1 A 23 23 LYS C C 545 174.855 176.249 -1.394 1
1 266 . 14 1 1 A 23 23 LYS CA C 545 56.339 56.679 -0.340 1
1 267 . 14 1 1 A 23 23 LYS CB C 545 36.104 33.761 2.343 1
1 271 . 14 1 1 A 23 23 LYS N N 545 117.744 118.946 -1.202 1
1 272 . 14 1 1 A 24 24 LEU H H 546 7.898 8.252 -0.354 1
1 273 . 14 1 1 A 24 24 LEU HA H 546 4.487 4.545 -0.058 1
1 283 . 14 1 1 A 24 24 LEU C C 546 175.730 175.206 0.524 1
1 284 . 14 1 1 A 24 24 LEU CA C 546 54.171 55.574 -1.403 1
1 285 . 14 1 1 A 24 24 LEU CB C 546 43.228 42.550 0.678 1
1 289 . 14 1 1 A 24 24 LEU N N 546 122.692 123.363 -0.671 1
1 290 . 14 1 1 A 25 25 MET H H 547 8.767 8.565 0.202 1
1 291 . 14 1 1 A 25 25 MET HA H 547 5.728 4.995 0.733 1
1 299 . 14 1 1 A 25 25 MET CA C 547 51.900 52.463 -0.563 1
1 300 . 14 1 1 A 25 25 MET CB C 547 34.876 35.423 -0.547 1
1 303 . 14 1 1 A 25 25 MET N N 547 126.346 125.616 0.730 1
1 304 . 14 1 1 A 26 26 PRO HA H 548 5.994 5.154 0.840 1
1 311 . 14 1 1 A 26 26 PRO C C 548 176.241 176.096 0.145 1
1 312 . 14 1 1 A 26 26 PRO CA C 548 61.285 62.839 -1.554 1
1 313 . 14 1 1 A 26 26 PRO CB C 548 32.260 33.395 -1.135 1
1 316 . 14 1 1 A 27 27 ILE H H 549 9.054 8.920 0.134 1
1 317 . 14 1 1 A 27 27 ILE HA H 549 4.284 4.696 -0.412 1
1 327 . 14 1 1 A 27 27 ILE C C 549 173.407 174.720 -1.313 1
1 328 . 14 1 1 A 27 27 ILE CA C 549 57.503 59.758 -2.255 1
1 329 . 14 1 1 A 27 27 ILE CB C 549 41.581 41.977 -0.396 1
1 333 . 14 1 1 A 27 27 ILE N N 549 126.281 121.430 4.851 1
1 334 . 14 1 1 A 28 28 CYS H H 550 8.459 8.559 -0.100 1
1 335 . 14 1 1 A 28 28 CYS HA H 550 3.704 3.827 -0.123 1
1 339 . 14 1 1 A 28 28 CYS C C 550 174.180 175.899 -1.719 1
1 340 . 14 1 1 A 28 28 CYS CA C 550 56.873 58.304 -1.431 1
1 341 . 14 1 1 A 28 28 CYS CB C 550 27.537 28.334 -0.797 1
1 342 . 14 1 1 A 28 28 CYS N N 550 125.844 125.913 -0.069 1
1 343 . 14 1 1 A 29 29 MET H H 551 8.782 8.942 -0.160 1
1 344 . 14 1 1 A 29 29 MET HA H 551 4.637 4.076 0.561 1
1 352 . 14 1 1 A 29 29 MET C C 551 174.613 177.737 -3.124 1
1 353 . 14 1 1 A 29 29 MET CA C 551 56.871 57.207 -0.336 1
1 354 . 14 1 1 A 29 29 MET CB C 551 34.394 31.106 3.288 1
1 357 . 14 1 1 A 29 29 MET N N 551 127.467 126.455 1.012 1
1 358 . 14 1 1 A 30 30 ASP H H 552 7.308 8.087 -0.779 1
1 359 . 14 1 1 A 30 30 ASP HA H 552 4.562 4.300 0.262 1
1 362 . 14 1 1 A 30 30 ASP C C 552 175.386 176.820 -1.434 1
1 363 . 14 1 1 A 30 30 ASP CA C 552 54.371 56.703 -2.332 1
1 364 . 14 1 1 A 30 30 ASP CB C 552 41.751 40.663 1.088 1
1 365 . 14 1 1 A 30 30 ASP N N 552 117.209 120.710 -3.501 1
1 366 . 14 1 1 A 31 31 VAL H H 553 7.257 7.573 -0.316 1
1 367 . 14 1 1 A 31 31 VAL HA H 553 4.057 4.245 -0.188 1
1 375 . 14 1 1 A 31 31 VAL C C 553 175.729 176.934 -1.205 1
1 376 . 14 1 1 A 31 31 VAL CA C 553 61.834 62.003 -0.169 1
1 377 . 14 1 1 A 31 31 VAL CB C 553 30.034 29.543 0.491 1
1 380 . 14 1 1 A 31 31 VAL N N 553 120.645 117.385 3.260 1
1 381 . 14 1 1 A 32 32 ARG H H 554 8.412 8.533 -0.121 1
1 382 . 14 1 1 A 32 32 ARG HA H 554 3.794 3.971 -0.177 1
1 389 . 14 1 1 A 32 32 ARG C C 554 178.819 177.954 0.865 1
1 390 . 14 1 1 A 32 32 ARG CA C 554 59.725 58.748 0.977 1
1 391 . 14 1 1 A 32 32 ARG CB C 554 29.537 29.734 -0.197 1
1 394 . 14 1 1 A 32 32 ARG N N 554 130.554 124.702 5.852 1
1 395 . 14 1 1 A 33 33 ALA H H 555 9.094 7.911 1.183 1
1 396 . 14 1 1 A 33 33 ALA HA H 555 4.081 4.089 -0.008 1
1 400 . 14 1 1 A 33 33 ALA C C 555 180.716 180.325 0.391 1
1 401 . 14 1 1 A 33 33 ALA CA C 555 55.002 55.022 -0.020 1
1 402 . 14 1 1 A 33 33 ALA CB C 555 18.462 18.297 0.165 1
1 403 . 14 1 1 A 33 33 ALA N N 555 119.862 121.400 -1.538 1
1 404 . 14 1 1 A 34 34 ILE H H 556 6.620 7.839 -1.219 1
1 405 . 14 1 1 A 34 34 ILE HA H 556 3.745 3.843 -0.098 1
1 415 . 14 1 1 A 34 34 ILE C C 556 177.540 177.814 -0.274 1
1 416 . 14 1 1 A 34 34 ILE CA C 556 64.101 64.567 -0.466 1
1 417 . 14 1 1 A 34 34 ILE CB C 556 38.397 37.417 0.980 1
1 421 . 14 1 1 A 34 34 ILE N N 556 116.216 119.037 -2.821 1
1 422 . 14 1 1 A 35 35 MET H H 557 7.619 8.214 -0.595 1
1 423 . 14 1 1 A 35 35 MET HA H 557 4.249 4.079 0.170 1
1 431 . 14 1 1 A 35 35 MET C C 557 178.737 178.485 0.252 1
1 432 . 14 1 1 A 35 35 MET CA C 557 56.113 58.621 -2.508 1
1 433 . 14 1 1 A 35 35 MET CB C 557 29.490 32.427 -2.937 1
1 436 . 14 1 1 A 35 35 MET N N 557 118.017 118.410 -0.393 1
1 437 . 14 1 1 A 36 36 ALA H H 558 8.410 7.649 0.761 1
1 438 . 14 1 1 A 36 36 ALA HA H 558 4.084 4.046 0.038 1
1 442 . 14 1 1 A 36 36 ALA C C 558 180.632 179.889 0.743 1
1 443 . 14 1 1 A 36 36 ALA CA C 558 55.024 55.048 -0.024 1
1 444 . 14 1 1 A 36 36 ALA CB C 558 17.698 18.492 -0.794 1
1 445 . 14 1 1 A 36 36 ALA N N 558 121.592 121.515 0.077 1
1 446 . 14 1 1 A 37 37 THR H H 559 7.294 7.903 -0.609 1
1 447 . 14 1 1 A 37 37 THR HA H 559 3.858 4.041 -0.183 1
1 452 . 14 1 1 A 37 37 THR C C 559 176.419 176.714 -0.295 1
1 453 . 14 1 1 A 37 37 THR CA C 559 66.590 65.970 0.620 1
1 454 . 14 1 1 A 37 37 THR CB C 559 68.001 68.538 -0.537 1
1 456 . 14 1 1 A 37 37 THR N N 559 115.835 114.393 1.442 1
1 457 . 14 1 1 A 38 38 ILE H H 560 8.109 7.680 0.429 1
1 458 . 14 1 1 A 38 38 ILE HA H 560 3.698 4.133 -0.435 1
1 468 . 14 1 1 A 38 38 ILE C C 560 176.934 178.272 -1.338 1
1 469 . 14 1 1 A 38 38 ILE CA C 560 65.952 63.962 1.990 1
1 470 . 14 1 1 A 38 38 ILE CB C 560 38.252 38.172 0.080 1
1 474 . 14 1 1 A 38 38 ILE N N 560 121.886 120.897 0.989 1
1 475 . 14 1 1 A 39 39 GLN H H 561 8.425 8.711 -0.286 1
1 476 . 14 1 1 A 39 39 GLN HA H 561 3.809 4.160 -0.351 1
1 483 . 14 1 1 A 39 39 GLN C C 561 177.126 178.683 -1.557 1
1 484 . 14 1 1 A 39 39 GLN CA C 561 58.751 59.231 -0.480 1
1 485 . 14 1 1 A 39 39 GLN CB C 561 29.255 28.170 1.085 1
1 487 . 14 1 1 A 39 39 GLN N N 561 116.211 118.604 -2.393 1
1 489 . 14 1 1 A 40 40 ARG H H 562 7.334 8.543 -1.209 1
1 490 . 14 1 1 A 40 40 ARG HA H 562 4.092 4.088 0.004 1
1 497 . 14 1 1 A 40 40 ARG C C 562 177.186 178.527 -1.341 1
1 498 . 14 1 1 A 40 40 ARG CA C 562 57.837 59.137 -1.300 1
1 499 . 14 1 1 A 40 40 ARG CB C 562 30.668 30.219 0.449 1
1 502 . 14 1 1 A 40 40 ARG N N 562 116.464 118.376 -1.912 1
1 503 . 14 1 1 A 41 41 LYS H H 563 7.802 7.476 0.326 1
1 504 . 14 1 1 A 41 41 LYS HA H 563 3.926 4.123 -0.197 1
1 513 . 14 1 1 A 41 41 LYS C C 563 176.735 176.870 -0.135 1
1 514 . 14 1 1 A 41 41 LYS CA C 563 57.866 58.237 -0.371 1
1 515 . 14 1 1 A 41 41 LYS CB C 563 33.314 33.039 0.275 1
1 519 . 14 1 1 A 41 41 LYS N N 563 118.658 118.397 0.261 1
1 520 . 14 1 1 A 42 42 TYR H H 564 8.208 8.366 -0.158 1
1 521 . 14 1 1 A 42 42 TYR HA H 564 4.786 4.958 -0.172 1
1 528 . 14 1 1 A 42 42 TYR C C 564 174.346 175.919 -1.573 1
1 529 . 14 1 1 A 42 42 TYR CA C 564 55.497 57.257 -1.760 1
1 530 . 14 1 1 A 42 42 TYR CB C 564 36.075 37.203 -1.128 1
1 533 . 14 1 1 A 42 42 TYR N N 564 121.157 117.814 3.343 1
1 534 . 14 1 1 A 43 43 LYS H H 565 7.212 8.541 -1.329 1
1 535 . 14 1 1 A 43 43 LYS HA H 565 4.081 4.593 -0.512 1
1 544 . 14 1 1 A 43 43 LYS C C 565 179.082 178.395 0.687 1
1 545 . 14 1 1 A 43 43 LYS CA C 565 58.075 56.964 1.111 1
1 546 . 14 1 1 A 43 43 LYS CB C 565 32.157 33.581 -1.424 1
1 550 . 14 1 1 A 43 43 LYS N N 565 119.412 126.607 -7.195 1
1 551 . 14 1 1 A 44 44 GLY H H 566 9.179 8.083 1.096 1
1 552 . 14 1 1 A 44 44 GLY HA2 H 566 3.607 3.580 0.027 1
1 553 . 14 1 1 A 44 44 GLY HA3 H 566 4.252 3.620 0.632 1
1 554 . 14 1 1 A 44 44 GLY C C 566 173.990 174.436 -0.446 1
1 555 . 14 1 1 A 44 44 GLY CA C 566 44.860 47.383 -2.523 1
1 556 . 14 1 1 A 44 44 GLY N N 566 114.958 107.390 7.568 1
1 557 . 14 1 1 A 45 45 ILE H H 567 7.604 6.602 1.002 1
1 558 . 14 1 1 A 45 45 ILE HA H 567 2.533 3.691 -1.158 1
1 568 . 14 1 1 A 45 45 ILE C C 567 172.893 174.626 -1.733 1
1 569 . 14 1 1 A 45 45 ILE CA C 567 61.754 61.598 0.156 1
1 570 . 14 1 1 A 45 45 ILE CB C 567 38.302 38.380 -0.078 1
1 574 . 14 1 1 A 45 45 ILE N N 567 122.496 121.328 1.168 1
1 575 . 14 1 1 A 46 46 LYS H H 568 7.733 8.962 -1.229 1
1 576 . 14 1 1 A 46 46 LYS HA H 568 4.307 4.873 -0.566 1
1 585 . 14 1 1 A 46 46 LYS C C 568 174.772 174.956 -0.184 1
1 586 . 14 1 1 A 46 46 LYS CA C 568 54.069 54.455 -0.386 1
1 587 . 14 1 1 A 46 46 LYS CB C 568 31.741 35.805 -4.064 1
1 591 . 14 1 1 A 46 46 LYS N N 568 128.712 124.795 3.917 1
1 592 . 14 1 1 A 47 47 ILE H H 569 8.081 8.380 -0.299 1
1 593 . 14 1 1 A 47 47 ILE HA H 569 3.166 4.200 -1.034 1
1 603 . 14 1 1 A 47 47 ILE CA C 569 61.564 60.949 0.615 1
1 604 . 14 1 1 A 47 47 ILE CB C 569 36.718 37.656 -0.938 1
1 608 . 14 1 1 A 47 47 ILE N N 569 124.424 123.835 0.589 1
1 609 . 14 1 1 A 48 48 GLN H H 570 6.700 9.075 -2.375 1
1 610 . 14 1 1 A 48 48 GLN HA H 570 4.205 5.011 -0.806 1
1 617 . 14 1 1 A 48 48 GLN CA C 570 53.129 54.498 -1.369 1
1 618 . 14 1 1 A 48 48 GLN CB C 570 31.211 32.805 -1.594 1
1 620 . 14 1 1 A 48 48 GLN N N 570 122.748 123.086 -0.338 1
1 622 . 14 1 1 A 49 49 GLU H H 571 8.218 8.620 -0.402 1
1 623 . 14 1 1 A 49 49 GLU HA H 571 3.727 4.606 -0.879 1
1 628 . 14 1 1 A 49 49 GLU CA C 571 57.976 56.521 1.455 1
1 629 . 14 1 1 A 49 49 GLU CB C 571 30.954 28.206 2.748 1
1 631 . 14 1 1 A 49 49 GLU N N 571 116.531 123.392 -6.861 1
1 632 . 14 1 1 A 50 50 GLY H H 572 8.967 7.910 1.057 1
1 633 . 14 1 1 A 50 50 GLY HA2 H 572 2.810 4.315 -1.505 1
1 634 . 14 1 1 A 50 50 GLY HA3 H 572 4.198 4.419 -0.221 1
1 635 . 14 1 1 A 50 50 GLY CA C 572 43.607 45.785 -2.178 1
1 636 . 14 1 1 A 50 50 GLY N N 572 111.469 110.565 0.904 1
1 637 . 14 1 1 A 51 51 ILE H H 573 8.410 8.751 -0.341 1
1 638 . 14 1 1 A 51 51 ILE HA H 573 4.916 4.654 0.262 1
1 648 . 14 1 1 A 51 51 ILE CA C 573 61.137 61.742 -0.605 1
1 649 . 14 1 1 A 51 51 ILE CB C 573 38.165 37.740 0.425 1
1 653 . 14 1 1 A 51 51 ILE N N 573 120.591 122.302 -1.711 1
1 654 . 14 1 1 A 52 52 VAL H H 574 8.900 8.716 0.184 1
1 655 . 14 1 1 A 52 52 VAL HA H 574 4.073 5.099 -1.026 1
1 663 . 14 1 1 A 52 52 VAL CA C 574 62.516 59.684 2.832 1
1 664 . 14 1 1 A 52 52 VAL CB C 574 35.957 35.498 0.459 1
1 667 . 14 1 1 A 52 52 VAL N N 574 131.435 126.547 4.888 1
1 668 . 14 1 1 A 53 53 ASP H H 575 8.731 9.000 -0.269 1
1 669 . 14 1 1 A 53 53 ASP HA H 575 4.953 5.124 -0.171 1
1 672 . 14 1 1 A 53 53 ASP CA C 575 52.137 53.360 -1.223 1
1 673 . 14 1 1 A 53 53 ASP CB C 575 40.659 41.176 -0.517 1
1 674 . 14 1 1 A 53 53 ASP N N 575 126.463 127.710 -1.247 1
1 675 . 14 1 1 A 54 54 TYR H H 576 8.639 9.053 -0.414 1
1 676 . 14 1 1 A 54 54 TYR HA H 576 4.407 4.928 -0.521 1
1 683 . 14 1 1 A 54 54 TYR CA C 576 57.833 57.724 0.109 1
1 684 . 14 1 1 A 54 54 TYR CB C 576 38.634 40.962 -2.328 1
1 687 . 14 1 1 A 54 54 TYR N N 576 131.097 126.180 4.917 1
1 688 . 14 1 1 A 55 55 GLY H H 577 8.388 9.019 -0.631 1
1 689 . 14 1 1 A 55 55 GLY HA2 H 577 3.056 3.864 -0.808 1
1 690 . 14 1 1 A 55 55 GLY HA3 H 577 4.307 3.915 0.392 1
1 691 . 14 1 1 A 55 55 GLY CA C 577 46.347 46.150 0.197 1
1 692 . 14 1 1 A 55 55 GLY N N 577 115.719 117.199 -1.480 1
1 693 . 14 1 1 A 56 56 VAL H H 578 7.143 7.782 -0.639 1
1 694 . 14 1 1 A 56 56 VAL HA H 578 3.410 4.251 -0.841 1
1 702 . 14 1 1 A 56 56 VAL CA C 578 60.335 59.468 0.867 1
1 703 . 14 1 1 A 56 56 VAL CB C 578 35.027 33.644 1.383 1
1 706 . 14 1 1 A 56 56 VAL N N 578 124.853 121.757 3.096 1
1 707 . 14 1 1 A 57 57 ARG H H 579 8.091 8.156 -0.065 1
1 708 . 14 1 1 A 57 57 ARG HA H 579 4.292 4.723 -0.431 1
1 715 . 14 1 1 A 57 57 ARG CA C 579 55.039 55.490 -0.451 1
1 716 . 14 1 1 A 57 57 ARG CB C 579 29.224 30.872 -1.648 1
1 719 . 14 1 1 A 57 57 ARG N N 579 124.754 126.638 -1.884 1
1 720 . 14 1 1 A 58 58 PHE H H 580 8.499 9.194 -0.695 1
1 721 . 14 1 1 A 58 58 PHE HA H 580 4.647 5.305 -0.658 1
1 729 . 14 1 1 A 58 58 PHE CA C 580 57.563 56.290 1.273 1
1 730 . 14 1 1 A 58 58 PHE CB C 580 42.026 43.013 -0.987 1
1 734 . 14 1 1 A 58 58 PHE N N 580 124.105 122.387 1.718 1
1 735 . 14 1 1 A 59 59 PHE H H 581 7.683 8.598 -0.915 1
1 736 . 14 1 1 A 59 59 PHE HA H 581 4.689 4.942 -0.253 1
1 743 . 14 1 1 A 59 59 PHE CA C 581 56.662 56.809 -0.147 1
1 744 . 14 1 1 A 59 59 PHE CB C 581 41.024 40.345 0.679 1
1 747 . 14 1 1 A 59 59 PHE N N 581 119.707 122.317 -2.610 1
1 748 . 14 1 1 A 60 60 PHE H H 582 8.898 8.214 0.684 1
1 749 . 14 1 1 A 60 60 PHE HA H 582 5.563 5.037 0.526 1
1 757 . 14 1 1 A 60 60 PHE CA C 582 57.615 58.314 -0.699 1
1 758 . 14 1 1 A 60 60 PHE CB C 582 39.539 40.045 -0.506 1
1 762 . 14 1 1 A 60 60 PHE N N 582 127.157 126.410 0.747 1
1 763 . 14 1 1 A 61 61 TYR H H 583 8.441 8.913 -0.472 1
1 764 . 14 1 1 A 61 61 TYR HA H 583 5.301 5.261 0.040 1
1 771 . 14 1 1 A 61 61 TYR CA C 583 54.556 55.388 -0.832 1
1 772 . 14 1 1 A 61 61 TYR CB C 583 41.444 41.125 0.319 1
1 775 . 14 1 1 A 61 61 TYR N N 583 119.072 120.267 -1.195 1
1 776 . 14 1 1 A 62 62 THR H H 584 9.444 8.572 0.872 1
1 777 . 14 1 1 A 62 62 THR HA H 584 4.680 4.855 -0.175 1
1 782 . 14 1 1 A 62 62 THR CA C 584 59.784 59.831 -0.047 1
1 783 . 14 1 1 A 62 62 THR CB C 584 71.274 71.783 -0.509 1
1 785 . 14 1 1 A 62 62 THR N N 584 113.469 112.443 1.026 1
1 786 . 14 1 1 A 63 63 SER H H 585 9.092 8.950 0.142 1
1 787 . 14 1 1 A 63 63 SER HA H 585 4.685 3.830 0.855 1
1 790 . 14 1 1 A 63 63 SER CA C 585 59.665 60.879 -1.214 1
1 791 . 14 1 1 A 63 63 SER CB C 585 62.835 62.703 0.132 1
1 792 . 14 1 1 A 63 63 SER N N 585 114.155 119.158 -5.003 1
1 793 . 14 1 1 A 64 64 LYS H H 586 7.484 7.788 -0.304 1
1 794 . 14 1 1 A 64 64 LYS HA H 586 4.074 4.241 -0.167 1
1 803 . 14 1 1 A 64 64 LYS CA C 586 55.960 58.855 -2.895 1
1 804 . 14 1 1 A 64 64 LYS CB C 586 32.662 32.548 0.114 1
1 808 . 14 1 1 A 64 64 LYS N N 586 118.230 119.164 -0.934 1
1 809 . 14 1 1 A 65 65 GLU H H 587 7.194 7.405 -0.211 1
1 810 . 14 1 1 A 65 65 GLU HA H 587 4.584 4.609 -0.025 1
1 815 . 14 1 1 A 65 65 GLU CA C 587 53.443 54.897 -1.454 1
1 816 . 14 1 1 A 65 65 GLU CB C 587 30.381 29.076 1.305 1
1 818 . 14 1 1 A 65 65 GLU N N 587 124.837 119.261 5.576 1
1 819 . 14 1 1 A 66 66 PRO HA H 588 4.506 4.570 -0.064 1
1 826 . 14 1 1 A 66 66 PRO CA C 588 62.620 63.156 -0.536 1
1 827 . 14 1 1 A 66 66 PRO CB C 588 32.368 32.263 0.105 1
1 830 . 14 1 1 A 67 67 VAL H H 589 8.545 8.263 0.282 1
1 831 . 14 1 1 A 67 67 VAL HA H 589 3.136 3.184 -0.048 1
1 839 . 14 1 1 A 67 67 VAL CA C 589 66.588 66.499 0.089 1
1 840 . 14 1 1 A 67 67 VAL CB C 589 30.979 31.259 -0.280 1
1 843 . 14 1 1 A 67 67 VAL N N 589 123.156 123.177 -0.021 1
1 844 . 14 1 1 A 68 68 ALA H H 590 8.700 8.380 0.320 1
1 845 . 14 1 1 A 68 68 ALA HA H 590 3.953 3.973 -0.020 1
1 849 . 14 1 1 A 68 68 ALA CA C 590 54.867 55.625 -0.758 1
1 850 . 14 1 1 A 68 68 ALA CB C 590 18.134 18.630 -0.496 1
1 851 . 14 1 1 A 68 68 ALA N N 590 118.895 122.461 -3.566 1
1 852 . 14 1 1 A 69 69 SER H H 591 6.961 7.431 -0.470 1
1 853 . 14 1 1 A 69 69 SER HA H 591 4.195 4.295 -0.100 1
1 856 . 14 1 1 A 69 69 SER CA C 591 60.029 61.456 -1.427 1
1 857 . 14 1 1 A 69 69 SER CB C 591 62.045 62.883 -0.838 1
1 858 . 14 1 1 A 69 69 SER N N 591 111.445 112.646 -1.201 1
1 859 . 14 1 1 A 70 70 ILE H H 592 7.386 7.905 -0.519 1
1 860 . 14 1 1 A 70 70 ILE HA H 592 3.361 3.719 -0.358 1
1 870 . 14 1 1 A 70 70 ILE CA C 592 65.332 64.117 1.215 1
1 871 . 14 1 1 A 70 70 ILE CB C 592 38.427 37.171 1.256 1
1 875 . 14 1 1 A 70 70 ILE N N 592 122.407 121.694 0.713 1
1 876 . 14 1 1 A 71 71 ILE H H 593 8.332 8.217 0.115 1
1 877 . 14 1 1 A 71 71 ILE HA H 593 3.256 3.498 -0.242 1
1 887 . 14 1 1 A 71 71 ILE CA C 593 65.023 65.080 -0.057 1
1 888 . 14 1 1 A 71 71 ILE CB C 593 36.662 37.832 -1.170 1
1 892 . 14 1 1 A 71 71 ILE N N 593 117.779 122.488 -4.709 1
1 893 . 14 1 1 A 72 72 THR H H 594 7.834 7.807 0.027 1
1 894 . 14 1 1 A 72 72 THR HA H 594 3.845 3.868 -0.023 1
1 899 . 14 1 1 A 72 72 THR CA C 594 67.376 66.444 0.932 1
1 900 . 14 1 1 A 72 72 THR CB C 594 68.291 68.452 -0.161 1
1 902 . 14 1 1 A 72 72 THR N N 594 117.154 114.801 2.353 1
1 903 . 14 1 1 A 73 73 LYS H H 595 7.803 7.909 -0.106 1
1 904 . 14 1 1 A 73 73 LYS HA H 595 3.936 4.034 -0.098 1
1 913 . 14 1 1 A 73 73 LYS CA C 595 59.853 59.674 0.179 1
1 914 . 14 1 1 A 73 73 LYS CB C 595 32.531 32.634 -0.103 1
1 918 . 14 1 1 A 73 73 LYS N N 595 122.657 120.195 2.462 1
1 919 . 14 1 1 A 74 74 LEU H H 596 8.088 8.297 -0.209 1
1 920 . 14 1 1 A 74 74 LEU HA H 596 3.681 3.951 -0.270 1
1 930 . 14 1 1 A 74 74 LEU CA C 596 57.217 57.888 -0.671 1
1 931 . 14 1 1 A 74 74 LEU CB C 596 41.122 40.700 0.422 1
1 935 . 14 1 1 A 74 74 LEU N N 596 119.593 119.705 -0.112 1
1 936 . 14 1 1 A 75 75 ASN H H 597 8.949 8.338 0.611 1
1 937 . 14 1 1 A 75 75 ASN HA H 597 4.471 4.374 0.097 1
1 942 . 14 1 1 A 75 75 ASN CA C 597 54.735 56.506 -1.771 1
1 943 . 14 1 1 A 75 75 ASN CB C 597 37.074 38.399 -1.325 1
1 944 . 14 1 1 A 75 75 ASN N N 597 121.103 118.860 2.243 1
1 946 . 14 1 1 A 76 76 SER H H 598 7.927 8.549 -0.622 1
1 947 . 14 1 1 A 76 76 SER HA H 598 4.137 4.144 -0.007 1
1 950 . 14 1 1 A 76 76 SER CA C 598 60.952 61.443 -0.491 1
1 951 . 14 1 1 A 76 76 SER CB C 598 62.516 62.340 0.176 1
1 952 . 14 1 1 A 76 76 SER N N 598 116.716 114.952 1.764 1
1 953 . 14 1 1 A 77 77 LEU H H 599 7.543 7.360 0.183 1
1 954 . 14 1 1 A 77 77 LEU HA H 599 3.974 3.937 0.037 1
1 964 . 14 1 1 A 77 77 LEU CA C 599 57.200 57.757 -0.557 1
1 965 . 14 1 1 A 77 77 LEU CB C 599 41.749 41.690 0.059 1
1 969 . 14 1 1 A 77 77 LEU N N 599 121.292 123.099 -1.807 1
1 970 . 14 1 1 A 78 78 ASN H H 600 7.755 7.767 -0.012 1
1 971 . 14 1 1 A 78 78 ASN HA H 600 4.114 4.290 -0.176 1
1 976 . 14 1 1 A 78 78 ASN CA C 600 53.603 54.502 -0.899 1
1 977 . 14 1 1 A 78 78 ASN CB C 600 37.688 37.548 0.140 1
1 978 . 14 1 1 A 78 78 ASN N N 600 113.272 117.743 -4.471 1
1 980 . 14 1 1 A 79 79 GLU H H 601 8.389 7.999 0.390 1
1 981 . 14 1 1 A 79 79 GLU HA H 601 4.675 4.550 0.125 1
1 986 . 14 1 1 A 79 79 GLU CA C 601 53.418 53.901 -0.483 1
1 987 . 14 1 1 A 79 79 GLU CB C 601 30.704 29.511 1.193 1
1 989 . 14 1 1 A 79 79 GLU N N 601 118.840 119.151 -0.311 1
1 990 . 14 1 1 A 80 80 PRO HA H 602 4.771 4.935 -0.164 1
1 997 . 14 1 1 A 80 80 PRO CA C 602 62.189 62.536 -0.347 1
1 998 . 14 1 1 A 80 80 PRO CB C 602 32.196 31.815 0.381 1
1 1001 . 14 1 1 A 81 81 LEU H H 603 8.539 8.945 -0.406 1
1 1002 . 14 1 1 A 81 81 LEU HA H 603 5.766 5.161 0.605 1
1 1012 . 14 1 1 A 81 81 LEU CA C 603 53.432 53.321 0.111 1
1 1013 . 14 1 1 A 81 81 LEU CB C 603 48.114 44.062 4.052 1
1 1017 . 14 1 1 A 81 81 LEU N N 603 118.455 124.362 -5.907 1
1 1018 . 14 1 1 A 82 82 VAL H H 604 8.322 8.119 0.203 1
1 1019 . 14 1 1 A 82 82 VAL HA H 604 5.110 4.872 0.238 1
1 1027 . 14 1 1 A 82 82 VAL CA C 604 59.609 60.479 -0.870 1
1 1028 . 14 1 1 A 82 82 VAL CB C 604 34.100 34.589 -0.489 1
1 1031 . 14 1 1 A 82 82 VAL N N 604 121.259 120.523 0.736 1
1 1032 . 14 1 1 A 83 83 THR H H 605 8.570 8.907 -0.337 1
1 1033 . 14 1 1 A 83 83 THR HA H 605 5.107 4.781 0.326 1
1 1038 . 14 1 1 A 83 83 THR CA C 605 59.606 60.247 -0.641 1
1 1039 . 14 1 1 A 83 83 THR CB C 605 71.321 70.321 1.000 1
1 1041 . 14 1 1 A 83 83 THR N N 605 117.620 121.165 -3.545 1
1 1042 . 14 1 1 A 84 84 MET H H 606 8.288 8.578 -0.290 1
1 1043 . 14 1 1 A 84 84 MET HA H 606 5.310 4.740 0.570 1
1 1051 . 14 1 1 A 84 84 MET CA C 606 55.491 54.852 0.639 1
1 1052 . 14 1 1 A 84 84 MET CB C 606 31.549 32.918 -1.369 1
1 1055 . 14 1 1 A 84 84 MET N N 606 125.405 122.254 3.151 1
1 1056 . 14 1 1 A 85 85 PRO HA H 607 4.048 4.606 -0.558 1
1 1063 . 14 1 1 A 85 85 PRO CA C 607 63.608 62.931 0.677 1
1 1064 . 14 1 1 A 85 85 PRO CB C 607 31.291 31.686 -0.395 1
1 1067 . 14 1 1 A 86 86 ILE H H 608 8.326 8.553 -0.227 1
1 1068 . 14 1 1 A 86 86 ILE HA H 608 3.423 3.970 -0.547 1
1 1078 . 14 1 1 A 86 86 ILE CA C 608 63.457 64.622 -1.165 1
1 1079 . 14 1 1 A 86 86 ILE CB C 608 35.800 37.988 -2.188 1
1 1083 . 14 1 1 A 86 86 ILE N N 608 133.106 122.560 10.546 1
1 1084 . 14 1 1 A 87 87 GLY H H 609 8.549 8.020 0.529 1
1 1085 . 14 1 1 A 87 87 GLY HA2 H 609 3.448 3.500 -0.052 1
1 1086 . 14 1 1 A 87 87 GLY HA3 H 609 4.101 3.669 0.432 1
1 1087 . 14 1 1 A 87 87 GLY CA C 609 44.556 46.949 -2.393 1
1 1088 . 14 1 1 A 87 87 GLY N N 609 111.653 109.337 2.316 1
1 1089 . 14 1 1 A 88 88 TYR H H 610 7.224 7.985 -0.761 1
1 1090 . 14 1 1 A 88 88 TYR HA H 610 4.437 4.947 -0.510 1
1 1097 . 14 1 1 A 88 88 TYR CA C 610 57.670 56.647 1.023 1
1 1098 . 14 1 1 A 88 88 TYR CB C 610 38.604 40.563 -1.959 1
1 1101 . 14 1 1 A 88 88 TYR N N 610 121.537 122.542 -1.005 1
1 1102 . 14 1 1 A 89 89 VAL H H 611 8.953 7.876 1.077 1
1 1103 . 14 1 1 A 89 89 VAL HA H 611 3.065 3.598 -0.533 1
1 1111 . 14 1 1 A 89 89 VAL CA C 611 70.009 66.002 4.007 1
1 1112 . 14 1 1 A 89 89 VAL CB C 611 30.422 31.057 -0.635 1
1 1115 . 14 1 1 A 89 89 VAL N N 611 128.074 119.823 8.251 1
1 1116 . 14 1 1 A 90 90 THR H H 612 9.348 8.142 1.206 1
1 1117 . 14 1 1 A 90 90 THR HA H 612 3.810 4.029 -0.219 1
1 1122 . 14 1 1 A 90 90 THR CA C 612 64.727 65.705 -0.978 1
1 1123 . 14 1 1 A 90 90 THR CB C 612 68.005 67.874 0.131 1
1 1125 . 14 1 1 A 90 90 THR N N 612 117.972 114.779 3.193 1
1 1126 . 14 1 1 A 91 91 HIS H H 613 7.651 8.059 -0.408 1
1 1127 . 14 1 1 A 91 91 HIS HA H 613 4.685 4.548 0.137 1
1 1131 . 14 1 1 A 91 91 HIS CA C 613 55.419 56.133 -0.714 1
1 1132 . 14 1 1 A 91 91 HIS CB C 613 29.092 29.917 -0.825 1
1 1134 . 14 1 1 A 91 91 HIS N N 613 119.034 116.989 2.045 1
1 1135 . 14 1 1 A 92 92 GLY H H 614 7.655 8.040 -0.385 1
1 1136 . 14 1 1 A 92 92 GLY HA2 H 614 3.665 3.908 -0.243 1
1 1137 . 14 1 1 A 92 92 GLY HA3 H 614 4.095 3.956 0.139 1
1 1138 . 14 1 1 A 92 92 GLY CA C 614 45.035 46.765 -1.730 1
1 1139 . 14 1 1 A 92 92 GLY N N 614 106.031 109.366 -3.335 1
1 1140 . 14 1 1 A 93 93 PHE H H 615 6.716 8.019 -1.303 1
1 1141 . 14 1 1 A 93 93 PHE HA H 615 5.244 4.700 0.544 1
1 1149 . 14 1 1 A 93 93 PHE CA C 615 53.904 57.784 -3.880 1
1 1150 . 14 1 1 A 93 93 PHE CB C 615 38.587 41.527 -2.940 1
1 1154 . 14 1 1 A 93 93 PHE N N 615 116.220 118.166 -1.946 1
1 1155 . 14 1 1 A 94 94 ASN H H 616 9.141 8.609 0.532 1
1 1156 . 14 1 1 A 94 94 ASN HA H 616 4.956 5.265 -0.309 1
1 1161 . 14 1 1 A 94 94 ASN CA C 616 51.278 51.046 0.232 1
1 1162 . 14 1 1 A 94 94 ASN CB C 616 37.692 39.901 -2.209 1
1 1163 . 14 1 1 A 94 94 ASN N N 616 122.153 119.172 2.981 1
1 1165 . 14 1 1 A 95 95 LEU H H 617 8.684 9.082 -0.398 1
1 1166 . 14 1 1 A 95 95 LEU HA H 617 3.831 4.198 -0.367 1
1 1176 . 14 1 1 A 95 95 LEU CA C 617 58.457 57.886 0.571 1
1 1177 . 14 1 1 A 95 95 LEU CB C 617 41.985 41.803 0.182 1
1 1181 . 14 1 1 A 95 95 LEU N N 617 119.153 120.866 -1.713 1
1 1182 . 14 1 1 A 96 96 GLU H H 618 7.747 7.959 -0.212 1
1 1183 . 14 1 1 A 96 96 GLU HA H 618 2.864 3.803 -0.939 1
1 1188 . 14 1 1 A 96 96 GLU CA C 618 59.402 59.540 -0.138 1
1 1189 . 14 1 1 A 96 96 GLU CB C 618 28.323 28.880 -0.557 1
1 1191 . 14 1 1 A 96 96 GLU N N 618 120.199 119.237 0.962 1
1 1192 . 14 1 1 A 97 97 GLU H H 619 8.503 8.419 0.084 1
1 1193 . 14 1 1 A 97 97 GLU HA H 619 3.497 3.993 -0.496 1
1 1198 . 14 1 1 A 97 97 GLU CA C 619 58.251 59.069 -0.818 1
1 1199 . 14 1 1 A 97 97 GLU CB C 619 29.073 29.118 -0.045 1
1 1201 . 14 1 1 A 97 97 GLU N N 619 118.988 117.812 1.176 1
1 1202 . 14 1 1 A 98 98 ALA H H 620 8.311 8.493 -0.182 1
1 1203 . 14 1 1 A 98 98 ALA HA H 620 4.211 4.524 -0.313 1
1 1207 . 14 1 1 A 98 98 ALA CA C 620 54.717 55.262 -0.545 1
1 1208 . 14 1 1 A 98 98 ALA CB C 620 18.635 18.430 0.205 1
1 1209 . 14 1 1 A 98 98 ALA N N 620 121.102 123.057 -1.955 1
1 1210 . 14 1 1 A 99 99 ALA H H 621 8.570 8.181 0.389 1
1 1211 . 14 1 1 A 99 99 ALA HA H 621 3.831 3.845 -0.014 1
1 1215 . 14 1 1 A 99 99 ALA CA C 621 55.004 55.266 -0.262 1
1 1216 . 14 1 1 A 99 99 ALA CB C 621 18.548 18.023 0.525 1
1 1217 . 14 1 1 A 99 99 ALA N N 621 121.431 119.948 1.483 1
1 1218 . 14 1 1 A 100 100 ARG H H 622 7.646 8.437 -0.791 1
1 1219 . 14 1 1 A 100 100 ARG HA H 622 3.636 4.091 -0.455 1
1 1226 . 14 1 1 A 100 100 ARG CA C 622 59.556 59.686 -0.130 1
1 1227 . 14 1 1 A 100 100 ARG CB C 622 29.420 30.103 -0.683 1
1 1230 . 14 1 1 A 100 100 ARG N N 622 114.812 117.472 -2.660 1
1 1231 . 14 1 1 A 101 101 CYS H H 623 7.503 8.361 -0.858 1
1 1232 . 14 1 1 A 101 101 CYS HA H 623 4.081 4.244 -0.163 1
1 1235 . 14 1 1 A 101 101 CYS CA C 623 62.364 62.582 -0.218 1
1 1236 . 14 1 1 A 101 101 CYS CB C 623 26.301 27.245 -0.944 1
1 1237 . 14 1 1 A 101 101 CYS N N 623 118.667 119.790 -1.123 1
1 1238 . 14 1 1 A 102 102 MET H H 624 8.332 8.608 -0.276 1
1 1239 . 14 1 1 A 102 102 MET HA H 624 4.165 4.366 -0.201 1
1 1247 . 14 1 1 A 102 102 MET CA C 624 55.808 57.038 -1.230 1
1 1248 . 14 1 1 A 102 102 MET CB C 624 30.500 31.495 -0.995 1
1 1251 . 14 1 1 A 102 102 MET N N 624 119.480 119.738 -0.258 1
1 1252 . 14 1 1 A 103 103 ARG H H 625 7.505 7.487 0.018 1
1 1253 . 14 1 1 A 103 103 ARG HA H 625 4.022 4.213 -0.191 1
1 1260 . 14 1 1 A 103 103 ARG CA C 625 58.658 59.525 -0.867 1
1 1261 . 14 1 1 A 103 103 ARG CB C 625 30.413 30.056 0.357 1
1 1264 . 14 1 1 A 103 103 ARG N N 625 120.614 119.747 0.867 1
1 1265 . 14 1 1 A 104 104 SER H H 626 7.635 7.994 -0.359 1
1 1266 . 14 1 1 A 104 104 SER HA H 626 4.278 4.280 -0.002 1
1 1269 . 14 1 1 A 104 104 SER CA C 626 58.925 60.968 -2.043 1
1 1270 . 14 1 1 A 104 104 SER CB C 626 63.785 63.210 0.575 1
1 1271 . 14 1 1 A 104 104 SER N N 626 111.144 114.669 -3.525 1
1 1272 . 14 1 1 A 105 105 LEU H H 627 7.602 7.461 0.141 1
1 1273 . 14 1 1 A 105 105 LEU HA H 627 4.387 4.654 -0.267 1
1 1283 . 14 1 1 A 105 105 LEU CA C 627 55.025 55.581 -0.556 1
1 1284 . 14 1 1 A 105 105 LEU CB C 627 42.360 42.681 -0.321 1
1 1288 . 14 1 1 A 105 105 LEU N N 627 125.064 121.146 3.918 1
1 1289 . 14 1 1 A 106 106 LYS H H 628 9.724 8.574 1.150 1
1 1290 . 14 1 1 A 106 106 LYS HA H 628 4.244 4.614 -0.370 1
1 1299 . 14 1 1 A 106 106 LYS CA C 628 54.781 55.798 -1.017 1
1 1300 . 14 1 1 A 106 106 LYS CB C 628 33.456 33.720 -0.264 1
1 1304 . 14 1 1 A 106 106 LYS N N 628 128.616 123.906 4.710 1
1 1305 . 14 1 1 A 107 107 ALA H H 629 6.593 7.386 -0.793 1
1 1306 . 14 1 1 A 107 107 ALA HA H 629 4.420 4.414 0.006 1
1 1310 . 14 1 1 A 107 107 ALA CA C 629 50.003 50.972 -0.969 1
1 1311 . 14 1 1 A 107 107 ALA CB C 629 17.219 18.246 -1.027 1
1 1312 . 14 1 1 A 107 107 ALA N N 629 124.084 123.708 0.376 1
1 1313 . 14 1 1 A 108 108 PRO HA H 630 4.302 4.628 -0.326 1
1 1320 . 14 1 1 A 108 108 PRO CA C 630 62.816 62.992 -0.176 1
1 1321 . 14 1 1 A 108 108 PRO CB C 630 31.743 32.088 -0.345 1
1 1324 . 14 1 1 A 109 109 ALA H H 631 7.898 8.390 -0.492 1
1 1325 . 14 1 1 A 109 109 ALA HA H 631 5.092 4.982 0.110 1
1 1329 . 14 1 1 A 109 109 ALA CA C 631 50.966 51.340 -0.374 1
1 1330 . 14 1 1 A 109 109 ALA CB C 631 22.217 22.165 0.052 1
1 1331 . 14 1 1 A 109 109 ALA N N 631 122.466 123.405 -0.939 1
1 1332 . 14 1 1 A 110 110 VAL H H 632 8.071 8.876 -0.805 1
1 1333 . 14 1 1 A 110 110 VAL HA H 632 4.167 4.304 -0.137 1
1 1341 . 14 1 1 A 110 110 VAL CA C 632 61.685 63.033 -1.348 1
1 1342 . 14 1 1 A 110 110 VAL CB C 632 32.856 31.907 0.949 1
1 1345 . 14 1 1 A 110 110 VAL N N 632 125.531 123.307 2.224 1
1 1346 . 14 1 1 A 111 111 VAL H H 633 8.182 8.491 -0.309 1
1 1347 . 14 1 1 A 111 111 VAL HA H 633 4.731 5.087 -0.356 1
1 1355 . 14 1 1 A 111 111 VAL CA C 633 59.473 60.570 -1.097 1
1 1356 . 14 1 1 A 111 111 VAL CB C 633 32.919 34.218 -1.299 1
1 1359 . 14 1 1 A 111 111 VAL N N 633 128.148 128.101 0.047 1
1 1360 . 14 1 1 A 112 112 SER H H 634 8.591 8.513 0.078 1
1 1361 . 14 1 1 A 112 112 SER HA H 634 4.920 5.082 -0.162 1
1 1364 . 14 1 1 A 112 112 SER CA C 634 53.905 56.854 -2.949 1
1 1365 . 14 1 1 A 112 112 SER CB C 634 64.651 65.970 -1.319 1
1 1366 . 14 1 1 A 112 112 SER N N 634 119.276 119.161 0.115 1
1 1367 . 14 1 1 A 113 113 VAL H H 635 8.503 8.173 0.330 1
1 1368 . 14 1 1 A 113 113 VAL HA H 635 4.522 4.613 -0.091 1
1 1376 . 14 1 1 A 113 113 VAL CA C 635 59.398 58.936 0.462 1
1 1377 . 14 1 1 A 113 113 VAL CB C 635 32.548 34.479 -1.931 1
1 1380 . 14 1 1 A 113 113 VAL N N 635 118.886 119.705 -0.819 1
1 1381 . 14 1 1 A 114 114 SER H H 636 8.263 8.769 -0.506 1
1 1382 . 14 1 1 A 114 114 SER HA H 636 3.940 4.411 -0.471 1
1 1385 . 14 1 1 A 114 114 SER CA C 636 61.597 60.661 0.936 1
1 1386 . 14 1 1 A 114 114 SER CB C 636 63.321 63.265 0.056 1
1 1387 . 14 1 1 A 114 114 SER N N 636 112.710 116.860 -4.150 1
1 1388 . 14 1 1 A 115 115 SER H H 637 7.269 8.060 -0.791 1
1 1389 . 14 1 1 A 115 115 SER HA H 637 4.956 4.961 -0.005 1
1 1392 . 14 1 1 A 115 115 SER CA C 637 55.674 55.686 -0.012 1
1 1393 . 14 1 1 A 115 115 SER CB C 637 64.074 65.431 -1.357 1
1 1394 . 14 1 1 A 115 115 SER N N 637 114.537 113.929 0.608 1
1 1395 . 14 1 1 A 116 116 PRO HA H 638 4.186 4.392 -0.206 1
1 1402 . 14 1 1 A 116 116 PRO CA C 638 65.021 64.794 0.227 1
1 1403 . 14 1 1 A 116 116 PRO CB C 638 31.908 32.097 -0.189 1
1 1406 . 14 1 1 A 117 117 ASP H H 639 8.161 8.331 -0.170 1
1 1407 . 14 1 1 A 117 117 ASP HA H 639 4.359 4.397 -0.038 1
1 1410 . 14 1 1 A 117 117 ASP CA C 639 55.928 56.911 -0.983 1
1 1411 . 14 1 1 A 117 117 ASP CB C 639 40.088 40.727 -0.639 1
1 1412 . 14 1 1 A 117 117 ASP N N 639 116.310 117.584 -1.274 1
1 1413 . 14 1 1 A 118 118 ALA H H 640 7.596 7.805 -0.209 1
1 1414 . 14 1 1 A 118 118 ALA HA H 640 4.225 4.239 -0.014 1
1 1418 . 14 1 1 A 118 118 ALA CA C 640 52.964 54.233 -1.269 1
1 1419 . 14 1 1 A 118 118 ALA CB C 640 18.334 18.543 -0.209 1
1 1420 . 14 1 1 A 118 118 ALA N N 640 121.066 121.461 -0.395 1
1 1421 . 14 1 1 A 119 119 VAL H H 641 7.280 7.752 -0.472 1
1 1422 . 14 1 1 A 119 119 VAL HA H 641 3.221 3.519 -0.298 1
1 1430 . 14 1 1 A 119 119 VAL CA C 641 66.608 67.012 -0.404 1
1 1431 . 14 1 1 A 119 119 VAL CB C 641 31.436 31.729 -0.293 1
1 1434 . 14 1 1 A 119 119 VAL N N 641 120.886 119.838 1.048 1
1 1435 . 14 1 1 A 120 120 THR H H 642 7.475 7.771 -0.296 1
1 1436 . 14 1 1 A 120 120 THR HA H 642 3.840 3.912 -0.072 1
1 1441 . 14 1 1 A 120 120 THR CA C 642 65.297 65.668 -0.371 1
1 1442 . 14 1 1 A 120 120 THR CB C 642 68.042 68.242 -0.200 1
1 1444 . 14 1 1 A 120 120 THR N N 642 112.821 115.203 -2.382 1
1 1445 . 14 1 1 A 121 121 THR H H 643 7.328 7.567 -0.239 1
1 1446 . 14 1 1 A 121 121 THR HA H 643 3.477 3.658 -0.181 1
1 1451 . 14 1 1 A 121 121 THR CA C 643 65.341 66.345 -1.004 1
1 1452 . 14 1 1 A 121 121 THR CB C 643 68.196 68.438 -0.242 1
1 1454 . 14 1 1 A 121 121 THR N N 643 119.194 117.555 1.639 1
1 1455 . 14 1 1 A 122 122 TYR H H 644 8.766 8.410 0.356 1
1 1456 . 14 1 1 A 122 122 TYR HA H 644 3.764 3.762 0.002 1
1 1463 . 14 1 1 A 122 122 TYR CA C 644 62.340 62.032 0.308 1
1 1464 . 14 1 1 A 122 122 TYR CB C 644 39.106 38.726 0.380 1
1 1467 . 14 1 1 A 122 122 TYR N N 644 122.838 120.544 2.294 1
1 1468 . 14 1 1 A 123 123 ASN H H 645 8.290 8.643 -0.353 1
1 1469 . 14 1 1 A 123 123 ASN HA H 645 4.299 4.228 0.071 1
1 1474 . 14 1 1 A 123 123 ASN CA C 645 55.018 55.965 -0.947 1
1 1475 . 14 1 1 A 123 123 ASN CB C 645 36.967 37.754 -0.787 1
1 1476 . 14 1 1 A 123 123 ASN N N 645 116.356 117.781 -1.425 1
1 1478 . 14 1 1 A 124 124 GLY H H 646 7.768 8.279 -0.511 1
1 1479 . 14 1 1 A 124 124 GLY HA2 H 646 3.639 3.551 0.088 1
1 1480 . 14 1 1 A 124 124 GLY HA3 H 646 3.707 3.626 0.081 1
1 1481 . 14 1 1 A 124 124 GLY CA C 646 46.521 47.115 -0.594 1
1 1482 . 14 1 1 A 124 124 GLY N N 646 108.260 108.800 -0.540 1
1 1483 . 14 1 1 A 125 125 TYR H H 647 7.386 7.440 -0.054 1
1 1484 . 14 1 1 A 125 125 TYR HA H 647 4.608 4.649 -0.041 1
1 1491 . 14 1 1 A 125 125 TYR CA C 647 57.204 59.625 -2.421 1
1 1492 . 14 1 1 A 125 125 TYR CB C 647 37.557 37.757 -0.200 1
1 1495 . 14 1 1 A 125 125 TYR N N 647 120.587 121.721 -1.134 1
1 1496 . 14 1 1 A 126 126 LEU H H 648 7.802 7.836 -0.034 1
1 1497 . 14 1 1 A 126 126 LEU HA H 648 3.801 3.761 0.040 1
1 1507 . 14 1 1 A 126 126 LEU CA C 648 56.663 57.985 -1.322 1
1 1508 . 14 1 1 A 126 126 LEU CB C 648 42.298 41.474 0.824 1
1 1512 . 14 1 1 A 126 126 LEU N N 648 119.234 120.419 -1.185 1
1 1513 . 14 1 1 A 127 127 THR H H 649 7.473 7.790 -0.317 1
1 1514 . 14 1 1 A 127 127 THR HA H 649 4.238 4.022 0.216 1
1 1519 . 14 1 1 A 127 127 THR CA C 649 61.868 65.333 -3.465 1
1 1520 . 14 1 1 A 127 127 THR CB C 649 69.451 68.660 0.791 1
1 1522 . 14 1 1 A 127 127 THR N N 649 108.633 111.541 -2.908 1
1 1523 . 14 1 1 A 128 128 SER H H 650 7.696 8.153 -0.457 1
1 1524 . 14 1 1 A 128 128 SER HA H 650 4.439 4.094 0.345 1
1 1527 . 14 1 1 A 128 128 SER CA C 650 58.451 59.429 -0.978 1
1 1528 . 14 1 1 A 128 128 SER CB C 650 63.763 61.529 2.234 1
1 1529 . 14 1 1 A 128 128 SER N N 650 117.667 113.406 4.261 1
1 1 . 15 1 1 A 2 2 SER HA H -3 4.607 4.144 0.463 1
1 4 . 15 1 1 A 2 2 SER C C -3 174.489 174.370 0.119 1
1 5 . 15 1 1 A 2 2 SER CA C -3 56.994 58.912 -1.918 1
1 6 . 15 1 1 A 2 2 SER CB C -3 64.641 61.801 2.840 1
1 7 . 15 1 1 A 2 2 SER N N -3 115.970 118.191 -2.221 1
1 8 . 15 1 1 A 3 3 HIS H H -2 8.138 8.549 -0.411 1
1 9 . 15 1 1 A 3 3 HIS HA H -2 4.558 4.673 -0.115 1
1 13 . 15 1 1 A 3 3 HIS C C -2 176.502 175.301 1.201 1
1 14 . 15 1 1 A 3 3 HIS CA C -2 56.164 56.000 0.164 1
1 15 . 15 1 1 A 3 3 HIS CB C -2 30.643 31.831 -1.188 1
1 17 . 15 1 1 A 3 3 HIS N N -2 122.640 122.615 0.025 1
1 39 . 15 1 1 A 6 6 THR H H 528 7.755 8.698 -0.943 1
1 40 . 15 1 1 A 6 6 THR HA H 528 5.155 4.473 0.682 1
1 45 . 15 1 1 A 6 6 THR C C 528 174.544 174.191 0.353 1
1 46 . 15 1 1 A 6 6 THR CA C 528 60.657 62.784 -2.127 1
1 47 . 15 1 1 A 6 6 THR CB C 528 68.218 69.526 -1.308 1
1 49 . 15 1 1 A 6 6 THR N N 528 118.293 115.849 2.444 1
1 50 . 15 1 1 A 7 7 VAL H H 529 8.966 8.600 0.366 1
1 51 . 15 1 1 A 7 7 VAL HA H 529 4.240 4.721 -0.481 1
1 59 . 15 1 1 A 7 7 VAL C C 529 174.012 175.080 -1.068 1
1 60 . 15 1 1 A 7 7 VAL CA C 529 58.309 58.691 -0.382 1
1 61 . 15 1 1 A 7 7 VAL CB C 529 35.661 35.570 0.091 1
1 64 . 15 1 1 A 7 7 VAL N N 529 121.381 118.858 2.523 1
1 65 . 15 1 1 A 8 8 SER H H 530 8.193 8.341 -0.148 1
1 66 . 15 1 1 A 8 8 SER HA H 530 4.825 4.796 0.029 1
1 69 . 15 1 1 A 8 8 SER C C 530 172.908 174.820 -1.912 1
1 70 . 15 1 1 A 8 8 SER CA C 530 55.790 57.189 -1.399 1
1 71 . 15 1 1 A 8 8 SER CB C 530 62.800 63.632 -0.832 1
1 72 . 15 1 1 A 8 8 SER N N 530 113.044 115.342 -2.298 1
1 73 . 15 1 1 A 9 9 TRP H H 531 7.595 7.569 0.026 1
1 74 . 15 1 1 A 9 9 TRP HA H 531 5.353 4.674 0.679 1
1 83 . 15 1 1 A 9 9 TRP C C 531 177.031 176.702 0.329 1
1 84 . 15 1 1 A 9 9 TRP CA C 531 51.902 57.754 -5.852 1
1 85 . 15 1 1 A 9 9 TRP CB C 531 32.848 30.108 2.740 1
1 91 . 15 1 1 A 9 9 TRP N N 531 124.627 124.554 0.073 1
1 93 . 15 1 1 A 10 10 ASN H H 532 9.312 8.917 0.395 1
1 94 . 15 1 1 A 10 10 ASN HA H 532 4.601 4.798 -0.197 1
1 99 . 15 1 1 A 10 10 ASN C C 532 175.214 176.979 -1.765 1
1 100 . 15 1 1 A 10 10 ASN CA C 532 51.428 53.559 -2.131 1
1 101 . 15 1 1 A 10 10 ASN CB C 532 38.140 39.593 -1.453 1
1 102 . 15 1 1 A 10 10 ASN N N 532 121.842 120.611 1.231 1
1 104 . 15 1 1 A 11 11 LEU H H 533 8.503 8.777 -0.274 1
1 105 . 15 1 1 A 11 11 LEU HA H 533 4.086 4.130 -0.044 1
1 115 . 15 1 1 A 11 11 LEU C C 533 178.309 178.694 -0.385 1
1 116 . 15 1 1 A 11 11 LEU CA C 533 58.491 58.189 0.302 1
1 117 . 15 1 1 A 11 11 LEU CB C 533 41.525 41.301 0.224 1
1 121 . 15 1 1 A 11 11 LEU N N 533 119.723 126.350 -6.627 1
1 122 . 15 1 1 A 12 12 ARG H H 534 8.057 8.357 -0.300 1
1 123 . 15 1 1 A 12 12 ARG HA H 534 3.840 4.064 -0.224 1
1 130 . 15 1 1 A 12 12 ARG C C 534 179.597 179.315 0.282 1
1 131 . 15 1 1 A 12 12 ARG CA C 534 59.873 59.055 0.818 1
1 132 . 15 1 1 A 12 12 ARG CB C 534 29.076 30.310 -1.234 1
1 135 . 15 1 1 A 12 12 ARG N N 534 117.711 120.387 -2.676 1
1 136 . 15 1 1 A 13 13 GLU H H 535 8.342 8.412 -0.070 1
1 137 . 15 1 1 A 13 13 GLU HA H 535 3.724 4.043 -0.319 1
1 142 . 15 1 1 A 13 13 GLU C C 535 179.948 179.599 0.349 1
1 143 . 15 1 1 A 13 13 GLU CA C 535 58.753 59.191 -0.438 1
1 144 . 15 1 1 A 13 13 GLU CB C 535 29.402 29.534 -0.132 1
1 146 . 15 1 1 A 13 13 GLU N N 535 121.501 120.011 1.490 1
1 147 . 15 1 1 A 14 14 MET H H 536 8.684 8.453 0.231 1
1 148 . 15 1 1 A 14 14 MET HA H 536 3.945 4.404 -0.459 1
1 156 . 15 1 1 A 14 14 MET C C 536 177.364 178.725 -1.361 1
1 157 . 15 1 1 A 14 14 MET CA C 536 60.550 58.920 1.630 1
1 158 . 15 1 1 A 14 14 MET CB C 536 34.412 32.842 1.570 1
1 161 . 15 1 1 A 14 14 MET N N 536 120.565 119.759 0.806 1
1 162 . 15 1 1 A 15 15 LEU H H 537 8.731 8.501 0.230 1
1 163 . 15 1 1 A 15 15 LEU HA H 537 3.970 4.173 -0.203 1
1 173 . 15 1 1 A 15 15 LEU C C 537 178.544 178.352 0.192 1
1 174 . 15 1 1 A 15 15 LEU CA C 537 57.723 58.666 -0.943 1
1 175 . 15 1 1 A 15 15 LEU CB C 537 41.396 42.211 -0.815 1
1 179 . 15 1 1 A 15 15 LEU N N 537 118.710 121.387 -2.677 1
1 180 . 15 1 1 A 16 16 ALA H H 538 7.816 8.385 -0.569 1
1 181 . 15 1 1 A 16 16 ALA HA H 538 4.026 4.149 -0.123 1
1 185 . 15 1 1 A 16 16 ALA C C 538 180.374 179.523 0.851 1
1 186 . 15 1 1 A 16 16 ALA CA C 538 54.734 55.093 -0.359 1
1 187 . 15 1 1 A 16 16 ALA CB C 538 17.670 18.136 -0.466 1
1 188 . 15 1 1 A 16 16 ALA N N 538 120.155 120.923 -0.768 1
1 189 . 15 1 1 A 17 17 HIS H H 539 7.715 8.364 -0.649 1
1 190 . 15 1 1 A 17 17 HIS HA H 539 4.180 4.168 0.012 1
1 194 . 15 1 1 A 17 17 HIS C C 539 179.167 176.958 2.209 1
1 195 . 15 1 1 A 17 17 HIS CA C 539 59.392 59.708 -0.316 1
1 196 . 15 1 1 A 17 17 HIS CB C 539 29.094 29.676 -0.582 1
1 198 . 15 1 1 A 17 17 HIS N N 539 117.446 117.908 -0.462 1
1 199 . 15 1 1 A 18 18 ALA H H 540 8.995 8.366 0.629 1
1 200 . 15 1 1 A 18 18 ALA HA H 540 3.656 3.967 -0.311 1
1 204 . 15 1 1 A 18 18 ALA C C 540 180.803 179.559 1.244 1
1 205 . 15 1 1 A 18 18 ALA CA C 540 55.762 55.238 0.524 1
1 206 . 15 1 1 A 18 18 ALA CB C 540 18.380 18.038 0.342 1
1 207 . 15 1 1 A 18 18 ALA N N 540 124.222 121.076 3.146 1
1 208 . 15 1 1 A 19 19 GLU H H 541 8.840 7.847 0.993 1
1 209 . 15 1 1 A 19 19 GLU HA H 541 3.695 3.999 -0.304 1
1 214 . 15 1 1 A 19 19 GLU C C 541 178.479 178.681 -0.202 1
1 215 . 15 1 1 A 19 19 GLU CA C 541 59.695 59.463 0.232 1
1 216 . 15 1 1 A 19 19 GLU CB C 541 29.740 29.419 0.321 1
1 218 . 15 1 1 A 19 19 GLU N N 541 121.086 118.677 2.409 1
1 219 . 15 1 1 A 20 20 GLU H H 542 7.649 8.228 -0.579 1
1 220 . 15 1 1 A 20 20 GLU HA H 542 3.980 4.081 -0.101 1
1 225 . 15 1 1 A 20 20 GLU C C 542 178.212 176.234 1.978 1
1 226 . 15 1 1 A 20 20 GLU CA C 542 58.593 58.084 0.509 1
1 227 . 15 1 1 A 20 20 GLU CB C 542 30.293 29.514 0.779 1
1 229 . 15 1 1 A 20 20 GLU N N 542 117.027 119.501 -2.474 1
1 230 . 15 1 1 A 21 21 THR H H 543 7.588 7.537 0.051 1
1 231 . 15 1 1 A 21 21 THR HA H 543 4.105 4.702 -0.597 1
1 236 . 15 1 1 A 21 21 THR C C 543 175.320 173.619 1.701 1
1 237 . 15 1 1 A 21 21 THR CA C 543 62.110 60.600 1.510 1
1 238 . 15 1 1 A 21 21 THR CB C 543 70.747 70.077 0.670 1
1 240 . 15 1 1 A 21 21 THR N N 543 105.058 109.576 -4.518 1
1 241 . 15 1 1 A 22 22 ARG H H 544 7.678 8.422 -0.744 1
1 242 . 15 1 1 A 22 22 ARG HA H 544 3.925 4.450 -0.525 1
1 249 . 15 1 1 A 22 22 ARG C C 544 175.207 175.261 -0.054 1
1 250 . 15 1 1 A 22 22 ARG CA C 544 55.996 55.206 0.790 1
1 251 . 15 1 1 A 22 22 ARG CB C 544 24.959 31.136 -6.177 1
1 254 . 15 1 1 A 22 22 ARG N N 544 116.694 118.687 -1.993 1
1 255 . 15 1 1 A 23 23 LYS H H 545 6.931 7.512 -0.581 1
1 256 . 15 1 1 A 23 23 LYS HA H 545 4.169 4.354 -0.185 1
1 265 . 15 1 1 A 23 23 LYS C C 545 174.855 176.095 -1.240 1
1 266 . 15 1 1 A 23 23 LYS CA C 545 56.339 55.507 0.832 1
1 267 . 15 1 1 A 23 23 LYS CB C 545 36.104 33.552 2.552 1
1 271 . 15 1 1 A 23 23 LYS N N 545 117.744 120.410 -2.666 1
1 272 . 15 1 1 A 24 24 LEU H H 546 7.898 8.413 -0.515 1
1 273 . 15 1 1 A 24 24 LEU HA H 546 4.487 4.597 -0.110 1
1 283 . 15 1 1 A 24 24 LEU C C 546 175.730 175.406 0.324 1
1 284 . 15 1 1 A 24 24 LEU CA C 546 54.171 56.480 -2.309 1
1 285 . 15 1 1 A 24 24 LEU CB C 546 43.228 42.103 1.125 1
1 289 . 15 1 1 A 24 24 LEU N N 546 122.692 127.816 -5.124 1
1 290 . 15 1 1 A 25 25 MET H H 547 8.767 8.935 -0.168 1
1 291 . 15 1 1 A 25 25 MET HA H 547 5.728 5.197 0.531 1
1 299 . 15 1 1 A 25 25 MET CA C 547 51.900 52.494 -0.594 1
1 300 . 15 1 1 A 25 25 MET CB C 547 34.876 33.763 1.113 1
1 303 . 15 1 1 A 25 25 MET N N 547 126.346 126.721 -0.375 1
1 304 . 15 1 1 A 26 26 PRO HA H 548 5.994 5.081 0.913 1
1 311 . 15 1 1 A 26 26 PRO C C 548 176.241 176.258 -0.017 1
1 312 . 15 1 1 A 26 26 PRO CA C 548 61.285 63.028 -1.743 1
1 313 . 15 1 1 A 26 26 PRO CB C 548 32.260 32.783 -0.523 1
1 316 . 15 1 1 A 27 27 ILE H H 549 9.054 8.903 0.151 1
1 317 . 15 1 1 A 27 27 ILE HA H 549 4.284 4.693 -0.409 1
1 327 . 15 1 1 A 27 27 ILE C C 549 173.407 174.971 -1.564 1
1 328 . 15 1 1 A 27 27 ILE CA C 549 57.503 59.498 -1.995 1
1 329 . 15 1 1 A 27 27 ILE CB C 549 41.581 41.876 -0.295 1
1 333 . 15 1 1 A 27 27 ILE N N 549 126.281 121.449 4.832 1
1 334 . 15 1 1 A 28 28 CYS H H 550 8.459 8.549 -0.090 1
1 335 . 15 1 1 A 28 28 CYS HA H 550 3.704 3.473 0.231 1
1 339 . 15 1 1 A 28 28 CYS C C 550 174.180 175.657 -1.477 1
1 340 . 15 1 1 A 28 28 CYS CA C 550 56.873 59.396 -2.523 1
1 341 . 15 1 1 A 28 28 CYS CB C 550 27.537 28.357 -0.820 1
1 342 . 15 1 1 A 28 28 CYS N N 550 125.844 126.991 -1.147 1
1 343 . 15 1 1 A 29 29 MET H H 551 8.782 8.607 0.175 1
1 344 . 15 1 1 A 29 29 MET HA H 551 4.637 4.018 0.619 1
1 352 . 15 1 1 A 29 29 MET C C 551 174.613 177.685 -3.072 1
1 353 . 15 1 1 A 29 29 MET CA C 551 56.871 57.589 -0.718 1
1 354 . 15 1 1 A 29 29 MET CB C 551 34.394 31.282 3.112 1
1 357 . 15 1 1 A 29 29 MET N N 551 127.467 126.481 0.986 1
1 358 . 15 1 1 A 30 30 ASP H H 552 7.308 8.242 -0.934 1
1 359 . 15 1 1 A 30 30 ASP HA H 552 4.562 4.313 0.249 1
1 362 . 15 1 1 A 30 30 ASP C C 552 175.386 176.529 -1.143 1
1 363 . 15 1 1 A 30 30 ASP CA C 552 54.371 57.342 -2.971 1
1 364 . 15 1 1 A 30 30 ASP CB C 552 41.751 41.537 0.214 1
1 365 . 15 1 1 A 30 30 ASP N N 552 117.209 120.777 -3.568 1
1 366 . 15 1 1 A 31 31 VAL H H 553 7.257 7.513 -0.256 1
1 367 . 15 1 1 A 31 31 VAL HA H 553 4.057 4.188 -0.131 1
1 375 . 15 1 1 A 31 31 VAL C C 553 175.729 175.620 0.109 1
1 376 . 15 1 1 A 31 31 VAL CA C 553 61.834 62.319 -0.485 1
1 377 . 15 1 1 A 31 31 VAL CB C 553 30.034 30.432 -0.398 1
1 380 . 15 1 1 A 31 31 VAL N N 553 120.645 117.408 3.237 1
1 381 . 15 1 1 A 32 32 ARG H H 554 8.412 8.203 0.209 1
1 382 . 15 1 1 A 32 32 ARG HA H 554 3.794 4.057 -0.263 1
1 389 . 15 1 1 A 32 32 ARG C C 554 178.819 178.493 0.326 1
1 390 . 15 1 1 A 32 32 ARG CA C 554 59.725 59.180 0.545 1
1 391 . 15 1 1 A 32 32 ARG CB C 554 29.537 29.733 -0.196 1
1 394 . 15 1 1 A 32 32 ARG N N 554 130.554 127.408 3.146 1
1 395 . 15 1 1 A 33 33 ALA H H 555 9.094 7.869 1.225 1
1 396 . 15 1 1 A 33 33 ALA HA H 555 4.081 4.152 -0.071 1
1 400 . 15 1 1 A 33 33 ALA C C 555 180.716 178.918 1.798 1
1 401 . 15 1 1 A 33 33 ALA CA C 555 55.002 54.188 0.814 1
1 402 . 15 1 1 A 33 33 ALA CB C 555 18.462 18.416 0.046 1
1 403 . 15 1 1 A 33 33 ALA N N 555 119.862 121.663 -1.801 1
1 404 . 15 1 1 A 34 34 ILE H H 556 6.620 7.617 -0.997 1
1 405 . 15 1 1 A 34 34 ILE HA H 556 3.745 3.895 -0.150 1
1 415 . 15 1 1 A 34 34 ILE C C 556 177.540 177.906 -0.366 1
1 416 . 15 1 1 A 34 34 ILE CA C 556 64.101 64.373 -0.272 1
1 417 . 15 1 1 A 34 34 ILE CB C 556 38.397 38.005 0.392 1
1 421 . 15 1 1 A 34 34 ILE N N 556 116.216 117.193 -0.977 1
1 422 . 15 1 1 A 35 35 MET H H 557 7.619 8.355 -0.736 1
1 423 . 15 1 1 A 35 35 MET HA H 557 4.249 4.074 0.175 1
1 431 . 15 1 1 A 35 35 MET C C 557 178.737 178.733 0.004 1
1 432 . 15 1 1 A 35 35 MET CA C 557 56.113 58.677 -2.564 1
1 433 . 15 1 1 A 35 35 MET CB C 557 29.490 32.015 -2.525 1
1 436 . 15 1 1 A 35 35 MET N N 557 118.017 118.570 -0.553 1
1 437 . 15 1 1 A 36 36 ALA H H 558 8.410 8.330 0.080 1
1 438 . 15 1 1 A 36 36 ALA HA H 558 4.084 4.029 0.055 1
1 442 . 15 1 1 A 36 36 ALA C C 558 180.632 179.942 0.690 1
1 443 . 15 1 1 A 36 36 ALA CA C 558 55.024 55.150 -0.126 1
1 444 . 15 1 1 A 36 36 ALA CB C 558 17.698 18.679 -0.981 1
1 445 . 15 1 1 A 36 36 ALA N N 558 121.592 121.513 0.079 1
1 446 . 15 1 1 A 37 37 THR H H 559 7.294 8.179 -0.885 1
1 447 . 15 1 1 A 37 37 THR HA H 559 3.858 3.894 -0.036 1
1 452 . 15 1 1 A 37 37 THR C C 559 176.419 176.641 -0.222 1
1 453 . 15 1 1 A 37 37 THR CA C 559 66.590 67.423 -0.833 1
1 454 . 15 1 1 A 37 37 THR CB C 559 68.001 68.872 -0.871 1
1 456 . 15 1 1 A 37 37 THR N N 559 115.835 113.713 2.122 1
1 457 . 15 1 1 A 38 38 ILE H H 560 8.109 8.101 0.008 1
1 458 . 15 1 1 A 38 38 ILE HA H 560 3.698 3.697 0.001 1
1 468 . 15 1 1 A 38 38 ILE C C 560 176.934 178.269 -1.335 1
1 469 . 15 1 1 A 38 38 ILE CA C 560 65.952 65.629 0.323 1
1 470 . 15 1 1 A 38 38 ILE CB C 560 38.252 37.826 0.426 1
1 474 . 15 1 1 A 38 38 ILE N N 560 121.886 121.618 0.268 1
1 475 . 15 1 1 A 39 39 GLN H H 561 8.425 8.856 -0.431 1
1 476 . 15 1 1 A 39 39 GLN HA H 561 3.809 4.318 -0.509 1
1 483 . 15 1 1 A 39 39 GLN C C 561 177.126 178.574 -1.448 1
1 484 . 15 1 1 A 39 39 GLN CA C 561 58.751 59.113 -0.362 1
1 485 . 15 1 1 A 39 39 GLN CB C 561 29.255 28.429 0.826 1
1 487 . 15 1 1 A 39 39 GLN N N 561 116.211 118.513 -2.302 1
1 489 . 15 1 1 A 40 40 ARG H H 562 7.334 7.893 -0.559 1
1 490 . 15 1 1 A 40 40 ARG HA H 562 4.092 4.042 0.050 1
1 497 . 15 1 1 A 40 40 ARG C C 562 177.186 178.579 -1.393 1
1 498 . 15 1 1 A 40 40 ARG CA C 562 57.837 59.214 -1.377 1
1 499 . 15 1 1 A 40 40 ARG CB C 562 30.668 30.000 0.668 1
1 502 . 15 1 1 A 40 40 ARG N N 562 116.464 121.250 -4.786 1
1 503 . 15 1 1 A 41 41 LYS H H 563 7.802 7.790 0.012 1
1 504 . 15 1 1 A 41 41 LYS HA H 563 3.926 4.042 -0.116 1
1 513 . 15 1 1 A 41 41 LYS C C 563 176.735 176.506 0.229 1
1 514 . 15 1 1 A 41 41 LYS CA C 563 57.866 58.508 -0.642 1
1 515 . 15 1 1 A 41 41 LYS CB C 563 33.314 33.144 0.170 1
1 519 . 15 1 1 A 41 41 LYS N N 563 118.658 118.943 -0.285 1
1 520 . 15 1 1 A 42 42 TYR H H 564 8.208 8.677 -0.469 1
1 521 . 15 1 1 A 42 42 TYR HA H 564 4.786 5.356 -0.570 1
1 528 . 15 1 1 A 42 42 TYR C C 564 174.346 176.154 -1.808 1
1 529 . 15 1 1 A 42 42 TYR CA C 564 55.497 56.109 -0.612 1
1 530 . 15 1 1 A 42 42 TYR CB C 564 36.075 38.486 -2.411 1
1 533 . 15 1 1 A 42 42 TYR N N 564 121.157 117.294 3.863 1
1 534 . 15 1 1 A 43 43 LYS H H 565 7.212 8.324 -1.112 1
1 535 . 15 1 1 A 43 43 LYS HA H 565 4.081 4.153 -0.072 1
1 544 . 15 1 1 A 43 43 LYS C C 565 179.082 178.740 0.342 1
1 545 . 15 1 1 A 43 43 LYS CA C 565 58.075 59.393 -1.318 1
1 546 . 15 1 1 A 43 43 LYS CB C 565 32.157 32.187 -0.030 1
1 550 . 15 1 1 A 43 43 LYS N N 565 119.412 124.014 -4.602 1
1 551 . 15 1 1 A 44 44 GLY H H 566 9.179 8.188 0.991 1
1 552 . 15 1 1 A 44 44 GLY HA2 H 566 3.607 3.732 -0.125 1
1 553 . 15 1 1 A 44 44 GLY HA3 H 566 4.252 3.809 0.443 1
1 554 . 15 1 1 A 44 44 GLY C C 566 173.990 174.552 -0.562 1
1 555 . 15 1 1 A 44 44 GLY CA C 566 44.860 47.401 -2.541 1
1 556 . 15 1 1 A 44 44 GLY N N 566 114.958 106.819 8.139 1
1 557 . 15 1 1 A 45 45 ILE H H 567 7.604 6.908 0.696 1
1 558 . 15 1 1 A 45 45 ILE HA H 567 2.533 3.832 -1.299 1
1 568 . 15 1 1 A 45 45 ILE C C 567 172.893 174.876 -1.983 1
1 569 . 15 1 1 A 45 45 ILE CA C 567 61.754 61.155 0.599 1
1 570 . 15 1 1 A 45 45 ILE CB C 567 38.302 38.403 -0.101 1
1 574 . 15 1 1 A 45 45 ILE N N 567 122.496 121.508 0.988 1
1 575 . 15 1 1 A 46 46 LYS H H 568 7.733 8.446 -0.713 1
1 576 . 15 1 1 A 46 46 LYS HA H 568 4.307 4.825 -0.518 1
1 585 . 15 1 1 A 46 46 LYS C C 568 174.772 175.308 -0.536 1
1 586 . 15 1 1 A 46 46 LYS CA C 568 54.069 54.022 0.047 1
1 587 . 15 1 1 A 46 46 LYS CB C 568 31.741 35.418 -3.677 1
1 591 . 15 1 1 A 46 46 LYS N N 568 128.712 127.143 1.569 1
1 592 . 15 1 1 A 47 47 ILE H H 569 8.081 8.182 -0.101 1
1 593 . 15 1 1 A 47 47 ILE HA H 569 3.166 3.841 -0.675 1
1 603 . 15 1 1 A 47 47 ILE CA C 569 61.564 60.358 1.206 1
1 604 . 15 1 1 A 47 47 ILE CB C 569 36.718 36.958 -0.240 1
1 608 . 15 1 1 A 47 47 ILE N N 569 124.424 122.259 2.165 1
1 609 . 15 1 1 A 48 48 GLN H H 570 6.700 8.575 -1.875 1
1 610 . 15 1 1 A 48 48 GLN HA H 570 4.205 4.900 -0.695 1
1 617 . 15 1 1 A 48 48 GLN CA C 570 53.129 53.874 -0.745 1
1 618 . 15 1 1 A 48 48 GLN CB C 570 31.211 32.425 -1.214 1
1 620 . 15 1 1 A 48 48 GLN N N 570 122.748 124.222 -1.474 1
1 622 . 15 1 1 A 49 49 GLU H H 571 8.218 8.523 -0.305 1
1 623 . 15 1 1 A 49 49 GLU HA H 571 3.727 4.582 -0.855 1
1 628 . 15 1 1 A 49 49 GLU CA C 571 57.976 56.537 1.439 1
1 629 . 15 1 1 A 49 49 GLU CB C 571 30.954 28.725 2.229 1
1 631 . 15 1 1 A 49 49 GLU N N 571 116.531 123.095 -6.564 1
1 632 . 15 1 1 A 50 50 GLY H H 572 8.967 7.762 1.205 1
1 633 . 15 1 1 A 50 50 GLY HA2 H 572 2.810 4.084 -1.274 1
1 634 . 15 1 1 A 50 50 GLY HA3 H 572 4.198 4.216 -0.018 1
1 635 . 15 1 1 A 50 50 GLY CA C 572 43.607 45.480 -1.873 1
1 636 . 15 1 1 A 50 50 GLY N N 572 111.469 110.987 0.482 1
1 637 . 15 1 1 A 51 51 ILE H H 573 8.410 8.768 -0.358 1
1 638 . 15 1 1 A 51 51 ILE HA H 573 4.916 4.437 0.479 1
1 648 . 15 1 1 A 51 51 ILE CA C 573 61.137 62.632 -1.495 1
1 649 . 15 1 1 A 51 51 ILE CB C 573 38.165 38.286 -0.121 1
1 653 . 15 1 1 A 51 51 ILE N N 573 120.591 122.509 -1.918 1
1 654 . 15 1 1 A 52 52 VAL H H 574 8.900 8.907 -0.007 1
1 655 . 15 1 1 A 52 52 VAL HA H 574 4.073 4.676 -0.603 1
1 663 . 15 1 1 A 52 52 VAL CA C 574 62.516 61.303 1.213 1
1 664 . 15 1 1 A 52 52 VAL CB C 574 35.957 35.116 0.841 1
1 667 . 15 1 1 A 52 52 VAL N N 574 131.435 127.859 3.576 1
1 668 . 15 1 1 A 53 53 ASP H H 575 8.731 9.116 -0.385 1
1 669 . 15 1 1 A 53 53 ASP HA H 575 4.953 4.857 0.096 1
1 672 . 15 1 1 A 53 53 ASP CA C 575 52.137 53.321 -1.184 1
1 673 . 15 1 1 A 53 53 ASP CB C 575 40.659 41.050 -0.391 1
1 674 . 15 1 1 A 53 53 ASP N N 575 126.463 128.364 -1.901 1
1 675 . 15 1 1 A 54 54 TYR H H 576 8.639 8.821 -0.182 1
1 676 . 15 1 1 A 54 54 TYR HA H 576 4.407 4.887 -0.480 1
1 683 . 15 1 1 A 54 54 TYR CA C 576 57.833 57.705 0.128 1
1 684 . 15 1 1 A 54 54 TYR CB C 576 38.634 40.363 -1.729 1
1 687 . 15 1 1 A 54 54 TYR N N 576 131.097 126.982 4.115 1
1 688 . 15 1 1 A 55 55 GLY H H 577 8.388 8.972 -0.584 1
1 689 . 15 1 1 A 55 55 GLY HA2 H 577 3.056 3.863 -0.807 1
1 690 . 15 1 1 A 55 55 GLY HA3 H 577 4.307 4.043 0.264 1
1 691 . 15 1 1 A 55 55 GLY CA C 577 46.347 46.508 -0.161 1
1 692 . 15 1 1 A 55 55 GLY N N 577 115.719 116.457 -0.738 1
1 693 . 15 1 1 A 56 56 VAL H H 578 7.143 7.198 -0.055 1
1 694 . 15 1 1 A 56 56 VAL HA H 578 3.410 4.165 -0.755 1
1 702 . 15 1 1 A 56 56 VAL CA C 578 60.335 59.821 0.514 1
1 703 . 15 1 1 A 56 56 VAL CB C 578 35.027 32.757 2.270 1
1 706 . 15 1 1 A 56 56 VAL N N 578 124.853 121.585 3.268 1
1 707 . 15 1 1 A 57 57 ARG H H 579 8.091 8.191 -0.100 1
1 708 . 15 1 1 A 57 57 ARG HA H 579 4.292 4.651 -0.359 1
1 715 . 15 1 1 A 57 57 ARG CA C 579 55.039 55.624 -0.585 1
1 716 . 15 1 1 A 57 57 ARG CB C 579 29.224 30.461 -1.237 1
1 719 . 15 1 1 A 57 57 ARG N N 579 124.754 126.320 -1.566 1
1 720 . 15 1 1 A 58 58 PHE H H 580 8.499 9.389 -0.890 1
1 721 . 15 1 1 A 58 58 PHE HA H 580 4.647 5.006 -0.359 1
1 729 . 15 1 1 A 58 58 PHE CA C 580 57.563 57.285 0.278 1
1 730 . 15 1 1 A 58 58 PHE CB C 580 42.026 40.732 1.294 1
1 734 . 15 1 1 A 58 58 PHE N N 580 124.105 125.217 -1.112 1
1 735 . 15 1 1 A 59 59 PHE H H 581 7.683 8.308 -0.625 1
1 736 . 15 1 1 A 59 59 PHE HA H 581 4.689 5.226 -0.537 1
1 743 . 15 1 1 A 59 59 PHE CA C 581 56.662 56.908 -0.246 1
1 744 . 15 1 1 A 59 59 PHE CB C 581 41.024 41.367 -0.343 1
1 747 . 15 1 1 A 59 59 PHE N N 581 119.707 122.467 -2.760 1
1 748 . 15 1 1 A 60 60 PHE H H 582 8.898 8.446 0.452 1
1 749 . 15 1 1 A 60 60 PHE HA H 582 5.563 5.149 0.414 1
1 757 . 15 1 1 A 60 60 PHE CA C 582 57.615 56.666 0.949 1
1 758 . 15 1 1 A 60 60 PHE CB C 582 39.539 39.975 -0.436 1
1 762 . 15 1 1 A 60 60 PHE N N 582 127.157 126.490 0.667 1
1 763 . 15 1 1 A 61 61 TYR H H 583 8.441 9.030 -0.589 1
1 764 . 15 1 1 A 61 61 TYR HA H 583 5.301 5.359 -0.058 1
1 771 . 15 1 1 A 61 61 TYR CA C 583 54.556 55.499 -0.943 1
1 772 . 15 1 1 A 61 61 TYR CB C 583 41.444 41.295 0.149 1
1 775 . 15 1 1 A 61 61 TYR N N 583 119.072 119.956 -0.884 1
1 776 . 15 1 1 A 62 62 THR H H 584 9.444 8.677 0.767 1
1 777 . 15 1 1 A 62 62 THR HA H 584 4.680 5.023 -0.343 1
1 782 . 15 1 1 A 62 62 THR CA C 584 59.784 60.306 -0.522 1
1 783 . 15 1 1 A 62 62 THR CB C 584 71.274 70.900 0.374 1
1 785 . 15 1 1 A 62 62 THR N N 584 113.469 112.471 0.998 1
1 786 . 15 1 1 A 63 63 SER H H 585 9.092 9.068 0.024 1
1 787 . 15 1 1 A 63 63 SER HA H 585 4.685 4.115 0.570 1
1 790 . 15 1 1 A 63 63 SER CA C 585 59.665 60.969 -1.304 1
1 791 . 15 1 1 A 63 63 SER CB C 585 62.835 63.014 -0.179 1
1 792 . 15 1 1 A 63 63 SER N N 585 114.155 119.627 -5.472 1
1 793 . 15 1 1 A 64 64 LYS H H 586 7.484 7.597 -0.113 1
1 794 . 15 1 1 A 64 64 LYS HA H 586 4.074 4.344 -0.270 1
1 803 . 15 1 1 A 64 64 LYS CA C 586 55.960 57.087 -1.127 1
1 804 . 15 1 1 A 64 64 LYS CB C 586 32.662 32.829 -0.167 1
1 808 . 15 1 1 A 64 64 LYS N N 586 118.230 119.501 -1.271 1
1 809 . 15 1 1 A 65 65 GLU H H 587 7.194 7.618 -0.424 1
1 810 . 15 1 1 A 65 65 GLU HA H 587 4.584 4.605 -0.021 1
1 815 . 15 1 1 A 65 65 GLU CA C 587 53.443 54.881 -1.438 1
1 816 . 15 1 1 A 65 65 GLU CB C 587 30.381 29.893 0.488 1
1 818 . 15 1 1 A 65 65 GLU N N 587 124.837 120.606 4.231 1
1 819 . 15 1 1 A 66 66 PRO HA H 588 4.506 4.540 -0.034 1
1 826 . 15 1 1 A 66 66 PRO CA C 588 62.620 63.323 -0.703 1
1 827 . 15 1 1 A 66 66 PRO CB C 588 32.368 32.300 0.068 1
1 830 . 15 1 1 A 67 67 VAL H H 589 8.545 8.348 0.197 1
1 831 . 15 1 1 A 67 67 VAL HA H 589 3.136 3.221 -0.085 1
1 839 . 15 1 1 A 67 67 VAL CA C 589 66.588 66.401 0.187 1
1 840 . 15 1 1 A 67 67 VAL CB C 589 30.979 31.264 -0.285 1
1 843 . 15 1 1 A 67 67 VAL N N 589 123.156 123.509 -0.353 1
1 844 . 15 1 1 A 68 68 ALA H H 590 8.700 8.492 0.208 1
1 845 . 15 1 1 A 68 68 ALA HA H 590 3.953 3.982 -0.029 1
1 849 . 15 1 1 A 68 68 ALA CA C 590 54.867 55.520 -0.653 1
1 850 . 15 1 1 A 68 68 ALA CB C 590 18.134 18.607 -0.473 1
1 851 . 15 1 1 A 68 68 ALA N N 590 118.895 122.919 -4.024 1
1 852 . 15 1 1 A 69 69 SER H H 591 6.961 8.050 -1.089 1
1 853 . 15 1 1 A 69 69 SER HA H 591 4.195 4.162 0.033 1
1 856 . 15 1 1 A 69 69 SER CA C 591 60.029 61.552 -1.523 1
1 857 . 15 1 1 A 69 69 SER CB C 591 62.045 63.120 -1.075 1
1 858 . 15 1 1 A 69 69 SER N N 591 111.445 112.306 -0.861 1
1 859 . 15 1 1 A 70 70 ILE H H 592 7.386 7.957 -0.571 1
1 860 . 15 1 1 A 70 70 ILE HA H 592 3.361 3.598 -0.237 1
1 870 . 15 1 1 A 70 70 ILE CA C 592 65.332 64.490 0.842 1
1 871 . 15 1 1 A 70 70 ILE CB C 592 38.427 37.672 0.755 1
1 875 . 15 1 1 A 70 70 ILE N N 592 122.407 120.544 1.863 1
1 876 . 15 1 1 A 71 71 ILE H H 593 8.332 8.279 0.053 1
1 877 . 15 1 1 A 71 71 ILE HA H 593 3.256 3.426 -0.170 1
1 887 . 15 1 1 A 71 71 ILE CA C 593 65.023 64.988 0.035 1
1 888 . 15 1 1 A 71 71 ILE CB C 593 36.662 37.246 -0.584 1
1 892 . 15 1 1 A 71 71 ILE N N 593 117.779 121.643 -3.864 1
1 893 . 15 1 1 A 72 72 THR H H 594 7.834 8.154 -0.320 1
1 894 . 15 1 1 A 72 72 THR HA H 594 3.845 3.978 -0.133 1
1 899 . 15 1 1 A 72 72 THR CA C 594 67.376 66.385 0.991 1
1 900 . 15 1 1 A 72 72 THR CB C 594 68.291 68.756 -0.465 1
1 902 . 15 1 1 A 72 72 THR N N 594 117.154 116.406 0.748 1
1 903 . 15 1 1 A 73 73 LYS H H 595 7.803 7.726 0.077 1
1 904 . 15 1 1 A 73 73 LYS HA H 595 3.936 3.930 0.006 1
1 913 . 15 1 1 A 73 73 LYS CA C 595 59.853 59.185 0.668 1
1 914 . 15 1 1 A 73 73 LYS CB C 595 32.531 32.299 0.232 1
1 918 . 15 1 1 A 73 73 LYS N N 595 122.657 120.337 2.320 1
1 919 . 15 1 1 A 74 74 LEU H H 596 8.088 7.586 0.502 1
1 920 . 15 1 1 A 74 74 LEU HA H 596 3.681 3.813 -0.132 1
1 930 . 15 1 1 A 74 74 LEU CA C 596 57.217 57.963 -0.746 1
1 931 . 15 1 1 A 74 74 LEU CB C 596 41.122 41.347 -0.225 1
1 935 . 15 1 1 A 74 74 LEU N N 596 119.593 120.144 -0.551 1
1 936 . 15 1 1 A 75 75 ASN H H 597 8.949 8.480 0.469 1
1 937 . 15 1 1 A 75 75 ASN HA H 597 4.471 4.392 0.079 1
1 942 . 15 1 1 A 75 75 ASN CA C 597 54.735 56.217 -1.482 1
1 943 . 15 1 1 A 75 75 ASN CB C 597 37.074 37.497 -0.423 1
1 944 . 15 1 1 A 75 75 ASN N N 597 121.103 118.717 2.386 1
1 946 . 15 1 1 A 76 76 SER H H 598 7.927 7.953 -0.026 1
1 947 . 15 1 1 A 76 76 SER HA H 598 4.137 4.138 -0.001 1
1 950 . 15 1 1 A 76 76 SER CA C 598 60.952 61.382 -0.430 1
1 951 . 15 1 1 A 76 76 SER CB C 598 62.516 62.517 -0.001 1
1 952 . 15 1 1 A 76 76 SER N N 598 116.716 114.450 2.266 1
1 953 . 15 1 1 A 77 77 LEU H H 599 7.543 7.309 0.234 1
1 954 . 15 1 1 A 77 77 LEU HA H 599 3.974 3.982 -0.008 1
1 964 . 15 1 1 A 77 77 LEU CA C 599 57.200 57.524 -0.324 1
1 965 . 15 1 1 A 77 77 LEU CB C 599 41.749 41.945 -0.196 1
1 969 . 15 1 1 A 77 77 LEU N N 599 121.292 122.288 -0.996 1
1 970 . 15 1 1 A 78 78 ASN H H 600 7.755 8.226 -0.471 1
1 971 . 15 1 1 A 78 78 ASN HA H 600 4.114 4.298 -0.184 1
1 976 . 15 1 1 A 78 78 ASN CA C 600 53.603 54.652 -1.049 1
1 977 . 15 1 1 A 78 78 ASN CB C 600 37.688 38.276 -0.588 1
1 978 . 15 1 1 A 78 78 ASN N N 600 113.272 117.540 -4.268 1
1 980 . 15 1 1 A 79 79 GLU H H 601 8.389 7.767 0.622 1
1 981 . 15 1 1 A 79 79 GLU HA H 601 4.675 4.442 0.233 1
1 986 . 15 1 1 A 79 79 GLU CA C 601 53.418 54.842 -1.424 1
1 987 . 15 1 1 A 79 79 GLU CB C 601 30.704 29.331 1.373 1
1 989 . 15 1 1 A 79 79 GLU N N 601 118.840 120.553 -1.713 1
1 990 . 15 1 1 A 80 80 PRO HA H 602 4.771 4.911 -0.140 1
1 997 . 15 1 1 A 80 80 PRO CA C 602 62.189 62.519 -0.330 1
1 998 . 15 1 1 A 80 80 PRO CB C 602 32.196 31.375 0.821 1
1 1001 . 15 1 1 A 81 81 LEU H H 603 8.539 8.261 0.278 1
1 1002 . 15 1 1 A 81 81 LEU HA H 603 5.766 4.724 1.042 1
1 1012 . 15 1 1 A 81 81 LEU CA C 603 53.432 54.690 -1.258 1
1 1013 . 15 1 1 A 81 81 LEU CB C 603 48.114 42.535 5.579 1
1 1017 . 15 1 1 A 81 81 LEU N N 603 118.455 123.926 -5.471 1
1 1018 . 15 1 1 A 82 82 VAL H H 604 8.322 8.111 0.211 1
1 1019 . 15 1 1 A 82 82 VAL HA H 604 5.110 4.826 0.284 1
1 1027 . 15 1 1 A 82 82 VAL CA C 604 59.609 60.422 -0.813 1
1 1028 . 15 1 1 A 82 82 VAL CB C 604 34.100 34.622 -0.522 1
1 1031 . 15 1 1 A 82 82 VAL N N 604 121.259 120.414 0.845 1
1 1032 . 15 1 1 A 83 83 THR H H 605 8.570 8.722 -0.152 1
1 1033 . 15 1 1 A 83 83 THR HA H 605 5.107 4.738 0.369 1
1 1038 . 15 1 1 A 83 83 THR CA C 605 59.606 61.212 -1.606 1
1 1039 . 15 1 1 A 83 83 THR CB C 605 71.321 70.575 0.746 1
1 1041 . 15 1 1 A 83 83 THR N N 605 117.620 121.358 -3.738 1
1 1042 . 15 1 1 A 84 84 MET H H 606 8.288 8.698 -0.410 1
1 1043 . 15 1 1 A 84 84 MET HA H 606 5.310 4.622 0.688 1
1 1051 . 15 1 1 A 84 84 MET CA C 606 55.491 54.931 0.560 1
1 1052 . 15 1 1 A 84 84 MET CB C 606 31.549 32.447 -0.898 1
1 1055 . 15 1 1 A 84 84 MET N N 606 125.405 124.516 0.889 1
1 1056 . 15 1 1 A 85 85 PRO HA H 607 4.048 4.595 -0.547 1
1 1063 . 15 1 1 A 85 85 PRO CA C 607 63.608 63.125 0.483 1
1 1064 . 15 1 1 A 85 85 PRO CB C 607 31.291 31.785 -0.494 1
1 1067 . 15 1 1 A 86 86 ILE H H 608 8.326 8.525 -0.199 1
1 1068 . 15 1 1 A 86 86 ILE HA H 608 3.423 3.853 -0.430 1
1 1078 . 15 1 1 A 86 86 ILE CA C 608 63.457 64.541 -1.084 1
1 1079 . 15 1 1 A 86 86 ILE CB C 608 35.800 38.179 -2.379 1
1 1083 . 15 1 1 A 86 86 ILE N N 608 133.106 122.516 10.590 1
1 1084 . 15 1 1 A 87 87 GLY H H 609 8.549 8.050 0.499 1
1 1085 . 15 1 1 A 87 87 GLY HA2 H 609 3.448 3.456 -0.008 1
1 1086 . 15 1 1 A 87 87 GLY HA3 H 609 4.101 3.554 0.547 1
1 1087 . 15 1 1 A 87 87 GLY CA C 609 44.556 46.794 -2.238 1
1 1088 . 15 1 1 A 87 87 GLY N N 609 111.653 108.563 3.090 1
1 1089 . 15 1 1 A 88 88 TYR H H 610 7.224 8.437 -1.213 1
1 1090 . 15 1 1 A 88 88 TYR HA H 610 4.437 4.930 -0.493 1
1 1097 . 15 1 1 A 88 88 TYR CA C 610 57.670 56.518 1.152 1
1 1098 . 15 1 1 A 88 88 TYR CB C 610 38.604 40.693 -2.089 1
1 1101 . 15 1 1 A 88 88 TYR N N 610 121.537 124.282 -2.745 1
1 1102 . 15 1 1 A 89 89 VAL H H 611 8.953 8.160 0.793 1
1 1103 . 15 1 1 A 89 89 VAL HA H 611 3.065 3.616 -0.551 1
1 1111 . 15 1 1 A 89 89 VAL CA C 611 70.009 66.030 3.979 1
1 1112 . 15 1 1 A 89 89 VAL CB C 611 30.422 31.053 -0.631 1
1 1115 . 15 1 1 A 89 89 VAL N N 611 128.074 119.985 8.089 1
1 1116 . 15 1 1 A 90 90 THR H H 612 9.348 8.272 1.076 1
1 1117 . 15 1 1 A 90 90 THR HA H 612 3.810 4.023 -0.213 1
1 1122 . 15 1 1 A 90 90 THR CA C 612 64.727 65.805 -1.078 1
1 1123 . 15 1 1 A 90 90 THR CB C 612 68.005 67.951 0.054 1
1 1125 . 15 1 1 A 90 90 THR N N 612 117.972 114.388 3.584 1
1 1126 . 15 1 1 A 91 91 HIS H H 613 7.651 7.691 -0.040 1
1 1127 . 15 1 1 A 91 91 HIS HA H 613 4.685 4.494 0.191 1
1 1131 . 15 1 1 A 91 91 HIS CA C 613 55.419 56.279 -0.860 1
1 1132 . 15 1 1 A 91 91 HIS CB C 613 29.092 29.854 -0.762 1
1 1134 . 15 1 1 A 91 91 HIS N N 613 119.034 118.440 0.594 1
1 1135 . 15 1 1 A 92 92 GLY H H 614 7.655 8.065 -0.410 1
1 1136 . 15 1 1 A 92 92 GLY HA2 H 614 3.665 3.893 -0.228 1
1 1137 . 15 1 1 A 92 92 GLY HA3 H 614 4.095 3.937 0.158 1
1 1138 . 15 1 1 A 92 92 GLY CA C 614 45.035 47.040 -2.005 1
1 1139 . 15 1 1 A 92 92 GLY N N 614 106.031 109.348 -3.317 1
1 1140 . 15 1 1 A 93 93 PHE H H 615 6.716 7.612 -0.896 1
1 1141 . 15 1 1 A 93 93 PHE HA H 615 5.244 4.950 0.294 1
1 1149 . 15 1 1 A 93 93 PHE CA C 615 53.904 57.065 -3.161 1
1 1150 . 15 1 1 A 93 93 PHE CB C 615 38.587 42.541 -3.954 1
1 1154 . 15 1 1 A 93 93 PHE N N 615 116.220 117.721 -1.501 1
1 1155 . 15 1 1 A 94 94 ASN H H 616 9.141 8.842 0.299 1
1 1156 . 15 1 1 A 94 94 ASN HA H 616 4.956 5.156 -0.200 1
1 1161 . 15 1 1 A 94 94 ASN CA C 616 51.278 51.936 -0.658 1
1 1162 . 15 1 1 A 94 94 ASN CB C 616 37.692 40.259 -2.567 1
1 1163 . 15 1 1 A 94 94 ASN N N 616 122.153 119.279 2.874 1
1 1165 . 15 1 1 A 95 95 LEU H H 617 8.684 8.924 -0.240 1
1 1166 . 15 1 1 A 95 95 LEU HA H 617 3.831 4.040 -0.209 1
1 1176 . 15 1 1 A 95 95 LEU CA C 617 58.457 58.861 -0.404 1
1 1177 . 15 1 1 A 95 95 LEU CB C 617 41.985 41.726 0.259 1
1 1181 . 15 1 1 A 95 95 LEU N N 617 119.153 126.467 -7.314 1
1 1182 . 15 1 1 A 96 96 GLU H H 618 7.747 7.865 -0.118 1
1 1183 . 15 1 1 A 96 96 GLU HA H 618 2.864 2.514 0.350 1
1 1188 . 15 1 1 A 96 96 GLU CA C 618 59.402 59.220 0.182 1
1 1189 . 15 1 1 A 96 96 GLU CB C 618 28.323 28.820 -0.497 1
1 1191 . 15 1 1 A 96 96 GLU N N 618 120.199 118.656 1.543 1
1 1192 . 15 1 1 A 97 97 GLU H H 619 8.503 7.961 0.542 1
1 1193 . 15 1 1 A 97 97 GLU HA H 619 3.497 3.888 -0.391 1
1 1198 . 15 1 1 A 97 97 GLU CA C 619 58.251 58.712 -0.461 1
1 1199 . 15 1 1 A 97 97 GLU CB C 619 29.073 29.487 -0.414 1
1 1201 . 15 1 1 A 97 97 GLU N N 619 118.988 118.271 0.717 1
1 1202 . 15 1 1 A 98 98 ALA H H 620 8.311 8.439 -0.128 1
1 1203 . 15 1 1 A 98 98 ALA HA H 620 4.211 4.289 -0.078 1
1 1207 . 15 1 1 A 98 98 ALA CA C 620 54.717 55.087 -0.370 1
1 1208 . 15 1 1 A 98 98 ALA CB C 620 18.635 18.280 0.355 1
1 1209 . 15 1 1 A 98 98 ALA N N 620 121.102 122.754 -1.652 1
1 1210 . 15 1 1 A 99 99 ALA H H 621 8.570 8.071 0.499 1
1 1211 . 15 1 1 A 99 99 ALA HA H 621 3.831 3.698 0.133 1
1 1215 . 15 1 1 A 99 99 ALA CA C 621 55.004 55.086 -0.082 1
1 1216 . 15 1 1 A 99 99 ALA CB C 621 18.548 17.751 0.797 1
1 1217 . 15 1 1 A 99 99 ALA N N 621 121.431 119.516 1.915 1
1 1218 . 15 1 1 A 100 100 ARG H H 622 7.646 8.020 -0.374 1
1 1219 . 15 1 1 A 100 100 ARG HA H 622 3.636 4.032 -0.396 1
1 1226 . 15 1 1 A 100 100 ARG CA C 622 59.556 58.794 0.762 1
1 1227 . 15 1 1 A 100 100 ARG CB C 622 29.420 30.056 -0.636 1
1 1230 . 15 1 1 A 100 100 ARG N N 622 114.812 116.555 -1.743 1
1 1231 . 15 1 1 A 101 101 CYS H H 623 7.503 8.256 -0.753 1
1 1232 . 15 1 1 A 101 101 CYS HA H 623 4.081 4.184 -0.103 1
1 1235 . 15 1 1 A 101 101 CYS CA C 623 62.364 62.411 -0.047 1
1 1236 . 15 1 1 A 101 101 CYS CB C 623 26.301 27.373 -1.072 1
1 1237 . 15 1 1 A 101 101 CYS N N 623 118.667 118.718 -0.051 1
1 1238 . 15 1 1 A 102 102 MET H H 624 8.332 8.475 -0.143 1
1 1239 . 15 1 1 A 102 102 MET HA H 624 4.165 4.178 -0.013 1
1 1247 . 15 1 1 A 102 102 MET CA C 624 55.808 58.081 -2.273 1
1 1248 . 15 1 1 A 102 102 MET CB C 624 30.500 31.514 -1.014 1
1 1251 . 15 1 1 A 102 102 MET N N 624 119.480 119.191 0.289 1
1 1252 . 15 1 1 A 103 103 ARG H H 625 7.505 7.402 0.103 1
1 1253 . 15 1 1 A 103 103 ARG HA H 625 4.022 4.252 -0.230 1
1 1260 . 15 1 1 A 103 103 ARG CA C 625 58.658 58.918 -0.260 1
1 1261 . 15 1 1 A 103 103 ARG CB C 625 30.413 30.030 0.383 1
1 1264 . 15 1 1 A 103 103 ARG N N 625 120.614 118.649 1.965 1
1 1265 . 15 1 1 A 104 104 SER H H 626 7.635 7.961 -0.326 1
1 1266 . 15 1 1 A 104 104 SER HA H 626 4.278 4.466 -0.188 1
1 1269 . 15 1 1 A 104 104 SER CA C 626 58.925 59.116 -0.191 1
1 1270 . 15 1 1 A 104 104 SER CB C 626 63.785 63.912 -0.127 1
1 1271 . 15 1 1 A 104 104 SER N N 626 111.144 113.173 -2.029 1
1 1272 . 15 1 1 A 105 105 LEU H H 627 7.602 7.551 0.051 1
1 1273 . 15 1 1 A 105 105 LEU HA H 627 4.387 4.560 -0.173 1
1 1283 . 15 1 1 A 105 105 LEU CA C 627 55.025 55.481 -0.456 1
1 1284 . 15 1 1 A 105 105 LEU CB C 627 42.360 42.591 -0.231 1
1 1288 . 15 1 1 A 105 105 LEU N N 627 125.064 122.921 2.143 1
1 1289 . 15 1 1 A 106 106 LYS H H 628 9.724 8.311 1.413 1
1 1290 . 15 1 1 A 106 106 LYS HA H 628 4.244 4.596 -0.352 1
1 1299 . 15 1 1 A 106 106 LYS CA C 628 54.781 55.869 -1.088 1
1 1300 . 15 1 1 A 106 106 LYS CB C 628 33.456 32.849 0.607 1
1 1304 . 15 1 1 A 106 106 LYS N N 628 128.616 124.299 4.317 1
1 1305 . 15 1 1 A 107 107 ALA H H 629 6.593 7.622 -1.029 1
1 1306 . 15 1 1 A 107 107 ALA HA H 629 4.420 4.742 -0.322 1
1 1310 . 15 1 1 A 107 107 ALA CA C 629 50.003 49.739 0.264 1
1 1311 . 15 1 1 A 107 107 ALA CB C 629 17.219 20.874 -3.655 1
1 1312 . 15 1 1 A 107 107 ALA N N 629 124.084 122.858 1.226 1
1 1313 . 15 1 1 A 108 108 PRO HA H 630 4.302 4.586 -0.284 1
1 1320 . 15 1 1 A 108 108 PRO CA C 630 62.816 62.613 0.203 1
1 1321 . 15 1 1 A 108 108 PRO CB C 630 31.743 32.420 -0.677 1
1 1324 . 15 1 1 A 109 109 ALA H H 631 7.898 8.402 -0.504 1
1 1325 . 15 1 1 A 109 109 ALA HA H 631 5.092 5.016 0.076 1
1 1329 . 15 1 1 A 109 109 ALA CA C 631 50.966 50.515 0.451 1
1 1330 . 15 1 1 A 109 109 ALA CB C 631 22.217 23.542 -1.325 1
1 1331 . 15 1 1 A 109 109 ALA N N 631 122.466 122.403 0.063 1
1 1332 . 15 1 1 A 110 110 VAL H H 632 8.071 8.730 -0.659 1
1 1333 . 15 1 1 A 110 110 VAL HA H 632 4.167 4.582 -0.415 1
1 1341 . 15 1 1 A 110 110 VAL CA C 632 61.685 61.306 0.379 1
1 1342 . 15 1 1 A 110 110 VAL CB C 632 32.856 31.809 1.047 1
1 1345 . 15 1 1 A 110 110 VAL N N 632 125.531 119.853 5.678 1
1 1346 . 15 1 1 A 111 111 VAL H H 633 8.182 8.383 -0.201 1
1 1347 . 15 1 1 A 111 111 VAL HA H 633 4.731 4.319 0.412 1
1 1355 . 15 1 1 A 111 111 VAL CA C 633 59.473 62.840 -3.367 1
1 1356 . 15 1 1 A 111 111 VAL CB C 633 32.919 32.033 0.886 1
1 1359 . 15 1 1 A 111 111 VAL N N 633 128.148 127.900 0.248 1
1 1360 . 15 1 1 A 112 112 SER H H 634 8.591 8.567 0.024 1
1 1361 . 15 1 1 A 112 112 SER HA H 634 4.920 5.254 -0.334 1
1 1364 . 15 1 1 A 112 112 SER CA C 634 53.905 56.447 -2.542 1
1 1365 . 15 1 1 A 112 112 SER CB C 634 64.651 65.366 -0.715 1
1 1366 . 15 1 1 A 112 112 SER N N 634 119.276 122.292 -3.016 1
1 1367 . 15 1 1 A 113 113 VAL H H 635 8.503 8.232 0.271 1
1 1368 . 15 1 1 A 113 113 VAL HA H 635 4.522 4.725 -0.203 1
1 1376 . 15 1 1 A 113 113 VAL CA C 635 59.398 59.277 0.121 1
1 1377 . 15 1 1 A 113 113 VAL CB C 635 32.548 34.593 -2.045 1
1 1380 . 15 1 1 A 113 113 VAL N N 635 118.886 119.966 -1.080 1
1 1381 . 15 1 1 A 114 114 SER H H 636 8.263 8.797 -0.534 1
1 1382 . 15 1 1 A 114 114 SER HA H 636 3.940 4.474 -0.534 1
1 1385 . 15 1 1 A 114 114 SER CA C 636 61.597 60.337 1.260 1
1 1386 . 15 1 1 A 114 114 SER CB C 636 63.321 64.308 -0.987 1
1 1387 . 15 1 1 A 114 114 SER N N 636 112.710 117.311 -4.601 1
1 1388 . 15 1 1 A 115 115 SER H H 637 7.269 8.133 -0.864 1
1 1389 . 15 1 1 A 115 115 SER HA H 637 4.956 4.934 0.022 1
1 1392 . 15 1 1 A 115 115 SER CA C 637 55.674 55.856 -0.182 1
1 1393 . 15 1 1 A 115 115 SER CB C 637 64.074 66.285 -2.211 1
1 1394 . 15 1 1 A 115 115 SER N N 637 114.537 114.502 0.035 1
1 1395 . 15 1 1 A 116 116 PRO HA H 638 4.186 4.342 -0.156 1
1 1402 . 15 1 1 A 116 116 PRO CA C 638 65.021 65.032 -0.011 1
1 1403 . 15 1 1 A 116 116 PRO CB C 638 31.908 32.044 -0.136 1
1 1406 . 15 1 1 A 117 117 ASP H H 639 8.161 8.426 -0.265 1
1 1407 . 15 1 1 A 117 117 ASP HA H 639 4.359 4.380 -0.021 1
1 1410 . 15 1 1 A 117 117 ASP CA C 639 55.928 56.992 -1.064 1
1 1411 . 15 1 1 A 117 117 ASP CB C 639 40.088 41.839 -1.751 1
1 1412 . 15 1 1 A 117 117 ASP N N 639 116.310 117.375 -1.065 1
1 1413 . 15 1 1 A 118 118 ALA H H 640 7.596 7.685 -0.089 1
1 1414 . 15 1 1 A 118 118 ALA HA H 640 4.225 4.164 0.061 1
1 1418 . 15 1 1 A 118 118 ALA CA C 640 52.964 54.625 -1.661 1
1 1419 . 15 1 1 A 118 118 ALA CB C 640 18.334 18.526 -0.192 1
1 1420 . 15 1 1 A 118 118 ALA N N 640 121.066 121.281 -0.215 1
1 1421 . 15 1 1 A 119 119 VAL H H 641 7.280 7.710 -0.430 1
1 1422 . 15 1 1 A 119 119 VAL HA H 641 3.221 3.519 -0.298 1
1 1430 . 15 1 1 A 119 119 VAL CA C 641 66.608 66.919 -0.311 1
1 1431 . 15 1 1 A 119 119 VAL CB C 641 31.436 31.561 -0.125 1
1 1434 . 15 1 1 A 119 119 VAL N N 641 120.886 119.791 1.095 1
1 1435 . 15 1 1 A 120 120 THR H H 642 7.475 8.181 -0.706 1
1 1436 . 15 1 1 A 120 120 THR HA H 642 3.840 3.909 -0.069 1
1 1441 . 15 1 1 A 120 120 THR CA C 642 65.297 65.850 -0.553 1
1 1442 . 15 1 1 A 120 120 THR CB C 642 68.042 68.764 -0.722 1
1 1444 . 15 1 1 A 120 120 THR N N 642 112.821 115.591 -2.770 1
1 1445 . 15 1 1 A 121 121 THR H H 643 7.328 7.660 -0.332 1
1 1446 . 15 1 1 A 121 121 THR HA H 643 3.477 3.777 -0.300 1
1 1451 . 15 1 1 A 121 121 THR CA C 643 65.341 66.578 -1.237 1
1 1452 . 15 1 1 A 121 121 THR CB C 643 68.196 68.680 -0.484 1
1 1454 . 15 1 1 A 121 121 THR N N 643 119.194 116.563 2.631 1
1 1455 . 15 1 1 A 122 122 TYR H H 644 8.766 8.686 0.080 1
1 1456 . 15 1 1 A 122 122 TYR HA H 644 3.764 4.327 -0.563 1
1 1463 . 15 1 1 A 122 122 TYR CA C 644 62.340 61.855 0.485 1
1 1464 . 15 1 1 A 122 122 TYR CB C 644 39.106 38.539 0.567 1
1 1467 . 15 1 1 A 122 122 TYR N N 644 122.838 121.133 1.705 1
1 1468 . 15 1 1 A 123 123 ASN H H 645 8.290 8.797 -0.507 1
1 1469 . 15 1 1 A 123 123 ASN HA H 645 4.299 4.431 -0.132 1
1 1474 . 15 1 1 A 123 123 ASN CA C 645 55.018 56.149 -1.131 1
1 1475 . 15 1 1 A 123 123 ASN CB C 645 36.967 37.824 -0.857 1
1 1476 . 15 1 1 A 123 123 ASN N N 645 116.356 117.224 -0.868 1
1 1478 . 15 1 1 A 124 124 GLY H H 646 7.768 8.465 -0.697 1
1 1479 . 15 1 1 A 124 124 GLY HA2 H 646 3.639 3.441 0.198 1
1 1480 . 15 1 1 A 124 124 GLY HA3 H 646 3.707 3.567 0.140 1
1 1481 . 15 1 1 A 124 124 GLY CA C 646 46.521 47.145 -0.624 1
1 1482 . 15 1 1 A 124 124 GLY N N 646 108.260 108.748 -0.488 1
1 1483 . 15 1 1 A 125 125 TYR H H 647 7.386 7.435 -0.049 1
1 1484 . 15 1 1 A 125 125 TYR HA H 647 4.608 4.588 0.020 1
1 1491 . 15 1 1 A 125 125 TYR CA C 647 57.204 59.796 -2.592 1
1 1492 . 15 1 1 A 125 125 TYR CB C 647 37.557 37.726 -0.169 1
1 1495 . 15 1 1 A 125 125 TYR N N 647 120.587 121.428 -0.841 1
1 1496 . 15 1 1 A 126 126 LEU H H 648 7.802 7.610 0.192 1
1 1497 . 15 1 1 A 126 126 LEU HA H 648 3.801 4.138 -0.337 1
1 1507 . 15 1 1 A 126 126 LEU CA C 648 56.663 56.541 0.122 1
1 1508 . 15 1 1 A 126 126 LEU CB C 648 42.298 42.197 0.101 1
1 1512 . 15 1 1 A 126 126 LEU N N 648 119.234 120.479 -1.245 1
1 1513 . 15 1 1 A 127 127 THR H H 649 7.473 7.864 -0.391 1
1 1514 . 15 1 1 A 127 127 THR HA H 649 4.238 3.983 0.255 1
1 1519 . 15 1 1 A 127 127 THR CA C 649 61.868 63.299 -1.431 1
1 1520 . 15 1 1 A 127 127 THR CB C 649 69.451 68.444 1.007 1
1 1522 . 15 1 1 A 127 127 THR N N 649 108.633 113.360 -4.727 1
1 1523 . 15 1 1 A 128 128 SER H H 650 7.696 8.386 -0.690 1
1 1524 . 15 1 1 A 128 128 SER HA H 650 4.439 4.610 -0.171 1
1 1527 . 15 1 1 A 128 128 SER CA C 650 58.451 58.102 0.349 1
1 1528 . 15 1 1 A 128 128 SER CB C 650 63.763 63.354 0.409 1
1 1529 . 15 1 1 A 128 128 SER N N 650 117.667 117.019 0.648 1
1 1 . 16 1 1 A 2 2 SER HA H -3 4.607 4.692 -0.085 1
1 4 . 16 1 1 A 2 2 SER C C -3 174.489 175.202 -0.713 1
1 5 . 16 1 1 A 2 2 SER CA C -3 56.994 59.162 -2.168 1
1 6 . 16 1 1 A 2 2 SER CB C -3 64.641 63.934 0.707 1
1 7 . 16 1 1 A 2 2 SER N N -3 115.970 116.581 -0.611 1
1 8 . 16 1 1 A 3 3 HIS H H -2 8.138 8.792 -0.654 1
1 9 . 16 1 1 A 3 3 HIS HA H -2 4.558 4.836 -0.278 1
1 13 . 16 1 1 A 3 3 HIS C C -2 176.502 174.879 1.623 1
1 14 . 16 1 1 A 3 3 HIS CA C -2 56.164 56.900 -0.736 1
1 15 . 16 1 1 A 3 3 HIS CB C -2 30.643 30.651 -0.008 1
1 17 . 16 1 1 A 3 3 HIS N N -2 122.640 122.528 0.112 1
1 39 . 16 1 1 A 6 6 THR H H 528 7.755 8.707 -0.952 1
1 40 . 16 1 1 A 6 6 THR HA H 528 5.155 4.224 0.931 1
1 45 . 16 1 1 A 6 6 THR C C 528 174.544 174.317 0.227 1
1 46 . 16 1 1 A 6 6 THR CA C 528 60.657 63.628 -2.971 1
1 47 . 16 1 1 A 6 6 THR CB C 528 68.218 68.974 -0.756 1
1 49 . 16 1 1 A 6 6 THR N N 528 118.293 116.029 2.264 1
1 50 . 16 1 1 A 7 7 VAL H H 529 8.966 9.097 -0.131 1
1 51 . 16 1 1 A 7 7 VAL HA H 529 4.240 4.873 -0.633 1
1 59 . 16 1 1 A 7 7 VAL C C 529 174.012 174.454 -0.442 1
1 60 . 16 1 1 A 7 7 VAL CA C 529 58.309 59.245 -0.936 1
1 61 . 16 1 1 A 7 7 VAL CB C 529 35.661 34.591 1.070 1
1 64 . 16 1 1 A 7 7 VAL N N 529 121.381 122.116 -0.735 1
1 65 . 16 1 1 A 8 8 SER H H 530 8.193 8.823 -0.630 1
1 66 . 16 1 1 A 8 8 SER HA H 530 4.825 5.113 -0.288 1
1 69 . 16 1 1 A 8 8 SER C C 530 172.908 173.107 -0.199 1
1 70 . 16 1 1 A 8 8 SER CA C 530 55.790 56.492 -0.702 1
1 71 . 16 1 1 A 8 8 SER CB C 530 62.800 63.243 -0.443 1
1 72 . 16 1 1 A 8 8 SER N N 530 113.044 114.152 -1.108 1
1 73 . 16 1 1 A 9 9 TRP H H 531 7.595 8.908 -1.313 1
1 74 . 16 1 1 A 9 9 TRP HA H 531 5.353 5.181 0.172 1
1 83 . 16 1 1 A 9 9 TRP C C 531 177.031 175.434 1.597 1
1 84 . 16 1 1 A 9 9 TRP CA C 531 51.902 55.824 -3.922 1
1 85 . 16 1 1 A 9 9 TRP CB C 531 32.848 33.411 -0.563 1
1 91 . 16 1 1 A 9 9 TRP N N 531 124.627 126.158 -1.531 1
1 93 . 16 1 1 A 10 10 ASN H H 532 9.312 8.682 0.630 1
1 94 . 16 1 1 A 10 10 ASN HA H 532 4.601 5.139 -0.538 1
1 99 . 16 1 1 A 10 10 ASN C C 532 175.214 176.602 -1.388 1
1 100 . 16 1 1 A 10 10 ASN CA C 532 51.428 51.240 0.188 1
1 101 . 16 1 1 A 10 10 ASN CB C 532 38.140 40.042 -1.902 1
1 102 . 16 1 1 A 10 10 ASN N N 532 121.842 119.569 2.273 1
1 104 . 16 1 1 A 11 11 LEU H H 533 8.503 9.035 -0.532 1
1 105 . 16 1 1 A 11 11 LEU HA H 533 4.086 4.014 0.072 1
1 115 . 16 1 1 A 11 11 LEU C C 533 178.309 178.780 -0.471 1
1 116 . 16 1 1 A 11 11 LEU CA C 533 58.491 58.170 0.321 1
1 117 . 16 1 1 A 11 11 LEU CB C 533 41.525 41.337 0.188 1
1 121 . 16 1 1 A 11 11 LEU N N 533 119.723 121.066 -1.343 1
1 122 . 16 1 1 A 12 12 ARG H H 534 8.057 8.364 -0.307 1
1 123 . 16 1 1 A 12 12 ARG HA H 534 3.840 4.120 -0.280 1
1 130 . 16 1 1 A 12 12 ARG C C 534 179.597 178.764 0.833 1
1 131 . 16 1 1 A 12 12 ARG CA C 534 59.873 58.962 0.911 1
1 132 . 16 1 1 A 12 12 ARG CB C 534 29.076 30.062 -0.986 1
1 135 . 16 1 1 A 12 12 ARG N N 534 117.711 118.297 -0.586 1
1 136 . 16 1 1 A 13 13 GLU H H 535 8.342 8.219 0.123 1
1 137 . 16 1 1 A 13 13 GLU HA H 535 3.724 3.984 -0.260 1
1 142 . 16 1 1 A 13 13 GLU C C 535 179.948 179.289 0.659 1
1 143 . 16 1 1 A 13 13 GLU CA C 535 58.753 59.338 -0.585 1
1 144 . 16 1 1 A 13 13 GLU CB C 535 29.402 29.150 0.252 1
1 146 . 16 1 1 A 13 13 GLU N N 535 121.501 119.678 1.823 1
1 147 . 16 1 1 A 14 14 MET H H 536 8.684 8.633 0.051 1
1 148 . 16 1 1 A 14 14 MET HA H 536 3.945 4.452 -0.507 1
1 156 . 16 1 1 A 14 14 MET C C 536 177.364 178.564 -1.200 1
1 157 . 16 1 1 A 14 14 MET CA C 536 60.550 58.812 1.738 1
1 158 . 16 1 1 A 14 14 MET CB C 536 34.412 33.273 1.139 1
1 161 . 16 1 1 A 14 14 MET N N 536 120.565 120.064 0.501 1
1 162 . 16 1 1 A 15 15 LEU H H 537 8.731 8.159 0.572 1
1 163 . 16 1 1 A 15 15 LEU HA H 537 3.970 4.165 -0.195 1
1 173 . 16 1 1 A 15 15 LEU C C 537 178.544 178.356 0.188 1
1 174 . 16 1 1 A 15 15 LEU CA C 537 57.723 58.175 -0.452 1
1 175 . 16 1 1 A 15 15 LEU CB C 537 41.396 41.988 -0.592 1
1 179 . 16 1 1 A 15 15 LEU N N 537 118.710 120.909 -2.199 1
1 180 . 16 1 1 A 16 16 ALA H H 538 7.816 8.845 -1.029 1
1 181 . 16 1 1 A 16 16 ALA HA H 538 4.026 4.130 -0.104 1
1 185 . 16 1 1 A 16 16 ALA C C 538 180.374 179.537 0.837 1
1 186 . 16 1 1 A 16 16 ALA CA C 538 54.734 54.941 -0.207 1
1 187 . 16 1 1 A 16 16 ALA CB C 538 17.670 18.041 -0.371 1
1 188 . 16 1 1 A 16 16 ALA N N 538 120.155 121.018 -0.863 1
1 189 . 16 1 1 A 17 17 HIS H H 539 7.715 8.357 -0.642 1
1 190 . 16 1 1 A 17 17 HIS HA H 539 4.180 4.199 -0.019 1
1 194 . 16 1 1 A 17 17 HIS C C 539 179.167 176.624 2.543 1
1 195 . 16 1 1 A 17 17 HIS CA C 539 59.392 59.759 -0.367 1
1 196 . 16 1 1 A 17 17 HIS CB C 539 29.094 29.751 -0.657 1
1 198 . 16 1 1 A 17 17 HIS N N 539 117.446 117.921 -0.475 1
1 199 . 16 1 1 A 18 18 ALA H H 540 8.995 8.207 0.788 1
1 200 . 16 1 1 A 18 18 ALA HA H 540 3.656 3.906 -0.250 1
1 204 . 16 1 1 A 18 18 ALA C C 540 180.803 179.946 0.857 1
1 205 . 16 1 1 A 18 18 ALA CA C 540 55.762 55.208 0.554 1
1 206 . 16 1 1 A 18 18 ALA CB C 540 18.380 18.336 0.044 1
1 207 . 16 1 1 A 18 18 ALA N N 540 124.222 120.806 3.416 1
1 208 . 16 1 1 A 19 19 GLU H H 541 8.840 8.328 0.512 1
1 209 . 16 1 1 A 19 19 GLU HA H 541 3.695 3.944 -0.249 1
1 214 . 16 1 1 A 19 19 GLU C C 541 178.479 178.535 -0.056 1
1 215 . 16 1 1 A 19 19 GLU CA C 541 59.695 59.701 -0.006 1
1 216 . 16 1 1 A 19 19 GLU CB C 541 29.740 29.448 0.292 1
1 218 . 16 1 1 A 19 19 GLU N N 541 121.086 117.762 3.324 1
1 219 . 16 1 1 A 20 20 GLU H H 542 7.649 8.245 -0.596 1
1 220 . 16 1 1 A 20 20 GLU HA H 542 3.980 4.110 -0.130 1
1 225 . 16 1 1 A 20 20 GLU C C 542 178.212 178.374 -0.162 1
1 226 . 16 1 1 A 20 20 GLU CA C 542 58.593 59.344 -0.751 1
1 227 . 16 1 1 A 20 20 GLU CB C 542 30.293 29.372 0.921 1
1 229 . 16 1 1 A 20 20 GLU N N 542 117.027 119.584 -2.557 1
1 230 . 16 1 1 A 21 21 THR H H 543 7.588 7.878 -0.290 1
1 231 . 16 1 1 A 21 21 THR HA H 543 4.105 4.285 -0.180 1
1 236 . 16 1 1 A 21 21 THR C C 543 175.320 174.327 0.993 1
1 237 . 16 1 1 A 21 21 THR CA C 543 62.110 61.461 0.649 1
1 238 . 16 1 1 A 21 21 THR CB C 543 70.747 68.266 2.481 1
1 240 . 16 1 1 A 21 21 THR N N 543 105.058 108.457 -3.399 1
1 241 . 16 1 1 A 22 22 ARG H H 544 7.678 7.901 -0.223 1
1 242 . 16 1 1 A 22 22 ARG HA H 544 3.925 4.229 -0.304 1
1 249 . 16 1 1 A 22 22 ARG C C 544 175.207 175.006 0.201 1
1 250 . 16 1 1 A 22 22 ARG CA C 544 55.996 56.929 -0.933 1
1 251 . 16 1 1 A 22 22 ARG CB C 544 24.959 27.894 -2.935 1
1 254 . 16 1 1 A 22 22 ARG N N 544 116.694 119.612 -2.918 1
1 255 . 16 1 1 A 23 23 LYS H H 545 6.931 7.673 -0.742 1
1 256 . 16 1 1 A 23 23 LYS HA H 545 4.169 4.349 -0.180 1
1 265 . 16 1 1 A 23 23 LYS C C 545 174.855 175.420 -0.565 1
1 266 . 16 1 1 A 23 23 LYS CA C 545 56.339 55.648 0.691 1
1 267 . 16 1 1 A 23 23 LYS CB C 545 36.104 33.932 2.172 1
1 271 . 16 1 1 A 23 23 LYS N N 545 117.744 119.186 -1.442 1
1 272 . 16 1 1 A 24 24 LEU H H 546 7.898 7.996 -0.098 1
1 273 . 16 1 1 A 24 24 LEU HA H 546 4.487 4.920 -0.433 1
1 283 . 16 1 1 A 24 24 LEU C C 546 175.730 175.295 0.435 1
1 284 . 16 1 1 A 24 24 LEU CA C 546 54.171 53.941 0.230 1
1 285 . 16 1 1 A 24 24 LEU CB C 546 43.228 44.225 -0.997 1
1 289 . 16 1 1 A 24 24 LEU N N 546 122.692 122.919 -0.227 1
1 290 . 16 1 1 A 25 25 MET H H 547 8.767 8.697 0.070 1
1 291 . 16 1 1 A 25 25 MET HA H 547 5.728 4.966 0.762 1
1 299 . 16 1 1 A 25 25 MET CA C 547 51.900 52.350 -0.450 1
1 300 . 16 1 1 A 25 25 MET CB C 547 34.876 34.952 -0.076 1
1 303 . 16 1 1 A 25 25 MET N N 547 126.346 125.292 1.054 1
1 304 . 16 1 1 A 26 26 PRO HA H 548 5.994 5.168 0.826 1
1 311 . 16 1 1 A 26 26 PRO C C 548 176.241 176.442 -0.201 1
1 312 . 16 1 1 A 26 26 PRO CA C 548 61.285 62.923 -1.638 1
1 313 . 16 1 1 A 26 26 PRO CB C 548 32.260 32.569 -0.309 1
1 316 . 16 1 1 A 27 27 ILE H H 549 9.054 8.872 0.182 1
1 317 . 16 1 1 A 27 27 ILE HA H 549 4.284 4.658 -0.374 1
1 327 . 16 1 1 A 27 27 ILE C C 549 173.407 175.047 -1.640 1
1 328 . 16 1 1 A 27 27 ILE CA C 549 57.503 59.763 -2.260 1
1 329 . 16 1 1 A 27 27 ILE CB C 549 41.581 41.982 -0.401 1
1 333 . 16 1 1 A 27 27 ILE N N 549 126.281 121.827 4.454 1
1 334 . 16 1 1 A 28 28 CYS H H 550 8.459 8.679 -0.220 1
1 335 . 16 1 1 A 28 28 CYS HA H 550 3.704 3.653 0.051 1
1 339 . 16 1 1 A 28 28 CYS C C 550 174.180 175.988 -1.808 1
1 340 . 16 1 1 A 28 28 CYS CA C 550 56.873 58.684 -1.811 1
1 341 . 16 1 1 A 28 28 CYS CB C 550 27.537 28.301 -0.764 1
1 342 . 16 1 1 A 28 28 CYS N N 550 125.844 126.545 -0.701 1
1 343 . 16 1 1 A 29 29 MET H H 551 8.782 9.025 -0.243 1
1 344 . 16 1 1 A 29 29 MET HA H 551 4.637 4.124 0.513 1
1 352 . 16 1 1 A 29 29 MET C C 551 174.613 177.736 -3.123 1
1 353 . 16 1 1 A 29 29 MET CA C 551 56.871 57.058 -0.187 1
1 354 . 16 1 1 A 29 29 MET CB C 551 34.394 30.983 3.411 1
1 357 . 16 1 1 A 29 29 MET N N 551 127.467 127.023 0.444 1
1 358 . 16 1 1 A 30 30 ASP H H 552 7.308 8.119 -0.811 1
1 359 . 16 1 1 A 30 30 ASP HA H 552 4.562 4.324 0.238 1
1 362 . 16 1 1 A 30 30 ASP C C 552 175.386 176.907 -1.521 1
1 363 . 16 1 1 A 30 30 ASP CA C 552 54.371 57.543 -3.172 1
1 364 . 16 1 1 A 30 30 ASP CB C 552 41.751 41.499 0.252 1
1 365 . 16 1 1 A 30 30 ASP N N 552 117.209 121.199 -3.990 1
1 366 . 16 1 1 A 31 31 VAL H H 553 7.257 7.517 -0.260 1
1 367 . 16 1 1 A 31 31 VAL HA H 553 4.057 4.239 -0.182 1
1 375 . 16 1 1 A 31 31 VAL C C 553 175.729 175.813 -0.084 1
1 376 . 16 1 1 A 31 31 VAL CA C 553 61.834 62.460 -0.626 1
1 377 . 16 1 1 A 31 31 VAL CB C 553 30.034 29.938 0.096 1
1 380 . 16 1 1 A 31 31 VAL N N 553 120.645 117.316 3.329 1
1 381 . 16 1 1 A 32 32 ARG H H 554 8.412 8.421 -0.009 1
1 382 . 16 1 1 A 32 32 ARG HA H 554 3.794 4.040 -0.246 1
1 389 . 16 1 1 A 32 32 ARG C C 554 178.819 178.679 0.140 1
1 390 . 16 1 1 A 32 32 ARG CA C 554 59.725 59.413 0.312 1
1 391 . 16 1 1 A 32 32 ARG CB C 554 29.537 29.732 -0.195 1
1 394 . 16 1 1 A 32 32 ARG N N 554 130.554 127.899 2.655 1
1 395 . 16 1 1 A 33 33 ALA H H 555 9.094 8.051 1.043 1
1 396 . 16 1 1 A 33 33 ALA HA H 555 4.081 4.086 -0.005 1
1 400 . 16 1 1 A 33 33 ALA C C 555 180.716 179.982 0.734 1
1 401 . 16 1 1 A 33 33 ALA CA C 555 55.002 55.216 -0.214 1
1 402 . 16 1 1 A 33 33 ALA CB C 555 18.462 18.598 -0.136 1
1 403 . 16 1 1 A 33 33 ALA N N 555 119.862 121.376 -1.514 1
1 404 . 16 1 1 A 34 34 ILE H H 556 6.620 7.699 -1.079 1
1 405 . 16 1 1 A 34 34 ILE HA H 556 3.745 3.670 0.075 1
1 415 . 16 1 1 A 34 34 ILE C C 556 177.540 178.021 -0.481 1
1 416 . 16 1 1 A 34 34 ILE CA C 556 64.101 65.227 -1.126 1
1 417 . 16 1 1 A 34 34 ILE CB C 556 38.397 38.071 0.326 1
1 421 . 16 1 1 A 34 34 ILE N N 556 116.216 118.048 -1.832 1
1 422 . 16 1 1 A 35 35 MET H H 557 7.619 8.267 -0.648 1
1 423 . 16 1 1 A 35 35 MET HA H 557 4.249 4.154 0.095 1
1 431 . 16 1 1 A 35 35 MET C C 557 178.737 178.276 0.461 1
1 432 . 16 1 1 A 35 35 MET CA C 557 56.113 58.759 -2.646 1
1 433 . 16 1 1 A 35 35 MET CB C 557 29.490 31.866 -2.376 1
1 436 . 16 1 1 A 35 35 MET N N 557 118.017 118.298 -0.281 1
1 437 . 16 1 1 A 36 36 ALA H H 558 8.410 8.196 0.214 1
1 438 . 16 1 1 A 36 36 ALA HA H 558 4.084 4.093 -0.009 1
1 442 . 16 1 1 A 36 36 ALA C C 558 180.632 179.687 0.945 1
1 443 . 16 1 1 A 36 36 ALA CA C 558 55.024 55.064 -0.040 1
1 444 . 16 1 1 A 36 36 ALA CB C 558 17.698 18.334 -0.636 1
1 445 . 16 1 1 A 36 36 ALA N N 558 121.592 121.004 0.588 1
1 446 . 16 1 1 A 37 37 THR H H 559 7.294 7.951 -0.657 1
1 447 . 16 1 1 A 37 37 THR HA H 559 3.858 3.909 -0.051 1
1 452 . 16 1 1 A 37 37 THR C C 559 176.419 176.756 -0.337 1
1 453 . 16 1 1 A 37 37 THR CA C 559 66.590 67.429 -0.839 1
1 454 . 16 1 1 A 37 37 THR CB C 559 68.001 68.793 -0.792 1
1 456 . 16 1 1 A 37 37 THR N N 559 115.835 114.397 1.438 1
1 457 . 16 1 1 A 38 38 ILE H H 560 8.109 8.188 -0.079 1
1 458 . 16 1 1 A 38 38 ILE HA H 560 3.698 3.758 -0.060 1
1 468 . 16 1 1 A 38 38 ILE C C 560 176.934 178.105 -1.171 1
1 469 . 16 1 1 A 38 38 ILE CA C 560 65.952 65.563 0.389 1
1 470 . 16 1 1 A 38 38 ILE CB C 560 38.252 37.594 0.658 1
1 474 . 16 1 1 A 38 38 ILE N N 560 121.886 121.628 0.258 1
1 475 . 16 1 1 A 39 39 GLN H H 561 8.425 8.549 -0.124 1
1 476 . 16 1 1 A 39 39 GLN HA H 561 3.809 4.178 -0.369 1
1 483 . 16 1 1 A 39 39 GLN C C 561 177.126 178.995 -1.869 1
1 484 . 16 1 1 A 39 39 GLN CA C 561 58.751 59.097 -0.346 1
1 485 . 16 1 1 A 39 39 GLN CB C 561 29.255 28.107 1.148 1
1 487 . 16 1 1 A 39 39 GLN N N 561 116.211 118.008 -1.797 1
1 489 . 16 1 1 A 40 40 ARG H H 562 7.334 8.166 -0.832 1
1 490 . 16 1 1 A 40 40 ARG HA H 562 4.092 4.155 -0.063 1
1 497 . 16 1 1 A 40 40 ARG C C 562 177.186 178.002 -0.816 1
1 498 . 16 1 1 A 40 40 ARG CA C 562 57.837 59.435 -1.598 1
1 499 . 16 1 1 A 40 40 ARG CB C 562 30.668 29.926 0.742 1
1 502 . 16 1 1 A 40 40 ARG N N 562 116.464 120.447 -3.983 1
1 503 . 16 1 1 A 41 41 LYS H H 563 7.802 7.818 -0.016 1
1 504 . 16 1 1 A 41 41 LYS HA H 563 3.926 4.186 -0.260 1
1 513 . 16 1 1 A 41 41 LYS C C 563 176.735 176.124 0.611 1
1 514 . 16 1 1 A 41 41 LYS CA C 563 57.866 57.809 0.057 1
1 515 . 16 1 1 A 41 41 LYS CB C 563 33.314 33.032 0.282 1
1 519 . 16 1 1 A 41 41 LYS N N 563 118.658 117.680 0.978 1
1 520 . 16 1 1 A 42 42 TYR H H 564 8.208 8.326 -0.118 1
1 521 . 16 1 1 A 42 42 TYR HA H 564 4.786 5.281 -0.495 1
1 528 . 16 1 1 A 42 42 TYR C C 564 174.346 175.538 -1.192 1
1 529 . 16 1 1 A 42 42 TYR CA C 564 55.497 56.038 -0.541 1
1 530 . 16 1 1 A 42 42 TYR CB C 564 36.075 38.495 -2.420 1
1 533 . 16 1 1 A 42 42 TYR N N 564 121.157 117.937 3.220 1
1 534 . 16 1 1 A 43 43 LYS H H 565 7.212 8.632 -1.420 1
1 535 . 16 1 1 A 43 43 LYS HA H 565 4.081 4.536 -0.455 1
1 544 . 16 1 1 A 43 43 LYS C C 565 179.082 178.272 0.810 1
1 545 . 16 1 1 A 43 43 LYS CA C 565 58.075 57.334 0.741 1
1 546 . 16 1 1 A 43 43 LYS CB C 565 32.157 33.136 -0.979 1
1 550 . 16 1 1 A 43 43 LYS N N 565 119.412 124.986 -5.574 1
1 551 . 16 1 1 A 44 44 GLY H H 566 9.179 8.275 0.904 1
1 552 . 16 1 1 A 44 44 GLY HA2 H 566 3.607 3.527 0.080 1
1 553 . 16 1 1 A 44 44 GLY HA3 H 566 4.252 3.562 0.690 1
1 554 . 16 1 1 A 44 44 GLY C C 566 173.990 174.421 -0.431 1
1 555 . 16 1 1 A 44 44 GLY CA C 566 44.860 47.432 -2.572 1
1 556 . 16 1 1 A 44 44 GLY N N 566 114.958 107.488 7.470 1
1 557 . 16 1 1 A 45 45 ILE H H 567 7.604 6.745 0.859 1
1 558 . 16 1 1 A 45 45 ILE HA H 567 2.533 3.723 -1.190 1
1 568 . 16 1 1 A 45 45 ILE C C 567 172.893 174.988 -2.095 1
1 569 . 16 1 1 A 45 45 ILE CA C 567 61.754 61.524 0.230 1
1 570 . 16 1 1 A 45 45 ILE CB C 567 38.302 38.626 -0.324 1
1 574 . 16 1 1 A 45 45 ILE N N 567 122.496 121.080 1.416 1
1 575 . 16 1 1 A 46 46 LYS H H 568 7.733 8.532 -0.799 1
1 576 . 16 1 1 A 46 46 LYS HA H 568 4.307 4.604 -0.297 1
1 585 . 16 1 1 A 46 46 LYS C C 568 174.772 176.338 -1.566 1
1 586 . 16 1 1 A 46 46 LYS CA C 568 54.069 54.714 -0.645 1
1 587 . 16 1 1 A 46 46 LYS CB C 568 31.741 34.944 -3.203 1
1 591 . 16 1 1 A 46 46 LYS N N 568 128.712 127.498 1.214 1
1 592 . 16 1 1 A 47 47 ILE H H 569 8.081 8.461 -0.380 1
1 593 . 16 1 1 A 47 47 ILE HA H 569 3.166 3.820 -0.654 1
1 603 . 16 1 1 A 47 47 ILE CA C 569 61.564 61.869 -0.305 1
1 604 . 16 1 1 A 47 47 ILE CB C 569 36.718 37.785 -1.067 1
1 608 . 16 1 1 A 47 47 ILE N N 569 124.424 123.858 0.566 1
1 609 . 16 1 1 A 48 48 GLN H H 570 6.700 8.760 -2.060 1
1 610 . 16 1 1 A 48 48 GLN HA H 570 4.205 4.958 -0.753 1
1 617 . 16 1 1 A 48 48 GLN CA C 570 53.129 54.324 -1.195 1
1 618 . 16 1 1 A 48 48 GLN CB C 570 31.211 32.693 -1.482 1
1 620 . 16 1 1 A 48 48 GLN N N 570 122.748 122.871 -0.123 1
1 622 . 16 1 1 A 49 49 GLU H H 571 8.218 8.598 -0.380 1
1 623 . 16 1 1 A 49 49 GLU HA H 571 3.727 4.751 -1.024 1
1 628 . 16 1 1 A 49 49 GLU CA C 571 57.976 56.866 1.110 1
1 629 . 16 1 1 A 49 49 GLU CB C 571 30.954 29.941 1.013 1
1 631 . 16 1 1 A 49 49 GLU N N 571 116.531 122.292 -5.761 1
1 632 . 16 1 1 A 50 50 GLY H H 572 8.967 8.142 0.825 1
1 633 . 16 1 1 A 50 50 GLY HA2 H 572 2.810 4.281 -1.471 1
1 634 . 16 1 1 A 50 50 GLY HA3 H 572 4.198 4.295 -0.097 1
1 635 . 16 1 1 A 50 50 GLY CA C 572 43.607 44.827 -1.220 1
1 636 . 16 1 1 A 50 50 GLY N N 572 111.469 110.714 0.755 1
1 637 . 16 1 1 A 51 51 ILE H H 573 8.410 8.752 -0.342 1
1 638 . 16 1 1 A 51 51 ILE HA H 573 4.916 4.696 0.220 1
1 648 . 16 1 1 A 51 51 ILE CA C 573 61.137 62.365 -1.228 1
1 649 . 16 1 1 A 51 51 ILE CB C 573 38.165 38.298 -0.133 1
1 653 . 16 1 1 A 51 51 ILE N N 573 120.591 121.984 -1.393 1
1 654 . 16 1 1 A 52 52 VAL H H 574 8.900 8.933 -0.033 1
1 655 . 16 1 1 A 52 52 VAL HA H 574 4.073 4.733 -0.660 1
1 663 . 16 1 1 A 52 52 VAL CA C 574 62.516 61.488 1.028 1
1 664 . 16 1 1 A 52 52 VAL CB C 574 35.957 34.798 1.159 1
1 667 . 16 1 1 A 52 52 VAL N N 574 131.435 127.000 4.435 1
1 668 . 16 1 1 A 53 53 ASP H H 575 8.731 9.190 -0.459 1
1 669 . 16 1 1 A 53 53 ASP HA H 575 4.953 4.921 0.032 1
1 672 . 16 1 1 A 53 53 ASP CA C 575 52.137 53.360 -1.223 1
1 673 . 16 1 1 A 53 53 ASP CB C 575 40.659 41.323 -0.664 1
1 674 . 16 1 1 A 53 53 ASP N N 575 126.463 128.535 -2.072 1
1 675 . 16 1 1 A 54 54 TYR H H 576 8.639 8.918 -0.279 1
1 676 . 16 1 1 A 54 54 TYR HA H 576 4.407 4.925 -0.518 1
1 683 . 16 1 1 A 54 54 TYR CA C 576 57.833 57.760 0.073 1
1 684 . 16 1 1 A 54 54 TYR CB C 576 38.634 40.393 -1.759 1
1 687 . 16 1 1 A 54 54 TYR N N 576 131.097 127.269 3.828 1
1 688 . 16 1 1 A 55 55 GLY H H 577 8.388 9.025 -0.637 1
1 689 . 16 1 1 A 55 55 GLY HA2 H 577 3.056 3.871 -0.815 1
1 690 . 16 1 1 A 55 55 GLY HA3 H 577 4.307 3.992 0.315 1
1 691 . 16 1 1 A 55 55 GLY CA C 577 46.347 46.893 -0.546 1
1 692 . 16 1 1 A 55 55 GLY N N 577 115.719 116.530 -0.811 1
1 693 . 16 1 1 A 56 56 VAL H H 578 7.143 7.882 -0.739 1
1 694 . 16 1 1 A 56 56 VAL HA H 578 3.410 4.051 -0.641 1
1 702 . 16 1 1 A 56 56 VAL CA C 578 60.335 61.415 -1.080 1
1 703 . 16 1 1 A 56 56 VAL CB C 578 35.027 32.304 2.723 1
1 706 . 16 1 1 A 56 56 VAL N N 578 124.853 120.189 4.664 1
1 707 . 16 1 1 A 57 57 ARG H H 579 8.091 7.877 0.214 1
1 708 . 16 1 1 A 57 57 ARG HA H 579 4.292 4.799 -0.507 1
1 715 . 16 1 1 A 57 57 ARG CA C 579 55.039 55.456 -0.417 1
1 716 . 16 1 1 A 57 57 ARG CB C 579 29.224 30.751 -1.527 1
1 719 . 16 1 1 A 57 57 ARG N N 579 124.754 126.105 -1.351 1
1 720 . 16 1 1 A 58 58 PHE H H 580 8.499 9.448 -0.949 1
1 721 . 16 1 1 A 58 58 PHE HA H 580 4.647 5.265 -0.618 1
1 729 . 16 1 1 A 58 58 PHE CA C 580 57.563 56.303 1.260 1
1 730 . 16 1 1 A 58 58 PHE CB C 580 42.026 42.535 -0.509 1
1 734 . 16 1 1 A 58 58 PHE N N 580 124.105 122.036 2.069 1
1 735 . 16 1 1 A 59 59 PHE H H 581 7.683 8.746 -1.063 1
1 736 . 16 1 1 A 59 59 PHE HA H 581 4.689 5.180 -0.491 1
1 743 . 16 1 1 A 59 59 PHE CA C 581 56.662 56.325 0.337 1
1 744 . 16 1 1 A 59 59 PHE CB C 581 41.024 40.044 0.980 1
1 747 . 16 1 1 A 59 59 PHE N N 581 119.707 122.583 -2.876 1
1 748 . 16 1 1 A 60 60 PHE H H 582 8.898 8.407 0.491 1
1 749 . 16 1 1 A 60 60 PHE HA H 582 5.563 5.171 0.392 1
1 757 . 16 1 1 A 60 60 PHE CA C 582 57.615 57.789 -0.174 1
1 758 . 16 1 1 A 60 60 PHE CB C 582 39.539 40.622 -1.083 1
1 762 . 16 1 1 A 60 60 PHE N N 582 127.157 126.347 0.810 1
1 763 . 16 1 1 A 61 61 TYR H H 583 8.441 8.473 -0.032 1
1 764 . 16 1 1 A 61 61 TYR HA H 583 5.301 5.075 0.226 1
1 771 . 16 1 1 A 61 61 TYR CA C 583 54.556 55.954 -1.398 1
1 772 . 16 1 1 A 61 61 TYR CB C 583 41.444 40.325 1.119 1
1 775 . 16 1 1 A 61 61 TYR N N 583 119.072 118.211 0.861 1
1 776 . 16 1 1 A 62 62 THR H H 584 9.444 8.591 0.853 1
1 777 . 16 1 1 A 62 62 THR HA H 584 4.680 4.676 0.004 1
1 782 . 16 1 1 A 62 62 THR CA C 584 59.784 60.257 -0.473 1
1 783 . 16 1 1 A 62 62 THR CB C 584 71.274 71.542 -0.268 1
1 785 . 16 1 1 A 62 62 THR N N 584 113.469 114.203 -0.734 1
1 786 . 16 1 1 A 63 63 SER H H 585 9.092 8.985 0.107 1
1 787 . 16 1 1 A 63 63 SER HA H 585 4.685 4.478 0.207 1
1 790 . 16 1 1 A 63 63 SER CA C 585 59.665 60.771 -1.106 1
1 791 . 16 1 1 A 63 63 SER CB C 585 62.835 63.471 -0.636 1
1 792 . 16 1 1 A 63 63 SER N N 585 114.155 116.395 -2.240 1
1 793 . 16 1 1 A 64 64 LYS H H 586 7.484 7.859 -0.375 1
1 794 . 16 1 1 A 64 64 LYS HA H 586 4.074 4.201 -0.127 1
1 803 . 16 1 1 A 64 64 LYS CA C 586 55.960 59.422 -3.462 1
1 804 . 16 1 1 A 64 64 LYS CB C 586 32.662 32.509 0.153 1
1 808 . 16 1 1 A 64 64 LYS N N 586 118.230 119.575 -1.345 1
1 809 . 16 1 1 A 65 65 GLU H H 587 7.194 7.529 -0.335 1
1 810 . 16 1 1 A 65 65 GLU HA H 587 4.584 4.620 -0.036 1
1 815 . 16 1 1 A 65 65 GLU CA C 587 53.443 55.263 -1.820 1
1 816 . 16 1 1 A 65 65 GLU CB C 587 30.381 28.947 1.434 1
1 818 . 16 1 1 A 65 65 GLU N N 587 124.837 118.733 6.104 1
1 819 . 16 1 1 A 66 66 PRO HA H 588 4.506 4.747 -0.241 1
1 826 . 16 1 1 A 66 66 PRO CA C 588 62.620 62.782 -0.162 1
1 827 . 16 1 1 A 66 66 PRO CB C 588 32.368 31.907 0.461 1
1 830 . 16 1 1 A 67 67 VAL H H 589 8.545 8.355 0.190 1
1 831 . 16 1 1 A 67 67 VAL HA H 589 3.136 3.330 -0.194 1
1 839 . 16 1 1 A 67 67 VAL CA C 589 66.588 66.531 0.057 1
1 840 . 16 1 1 A 67 67 VAL CB C 589 30.979 31.480 -0.501 1
1 843 . 16 1 1 A 67 67 VAL N N 589 123.156 123.589 -0.433 1
1 844 . 16 1 1 A 68 68 ALA H H 590 8.700 8.505 0.195 1
1 845 . 16 1 1 A 68 68 ALA HA H 590 3.953 4.023 -0.070 1
1 849 . 16 1 1 A 68 68 ALA CA C 590 54.867 55.531 -0.664 1
1 850 . 16 1 1 A 68 68 ALA CB C 590 18.134 18.016 0.118 1
1 851 . 16 1 1 A 68 68 ALA N N 590 118.895 122.678 -3.783 1
1 852 . 16 1 1 A 69 69 SER H H 591 6.961 7.893 -0.932 1
1 853 . 16 1 1 A 69 69 SER HA H 591 4.195 4.223 -0.028 1
1 856 . 16 1 1 A 69 69 SER CA C 591 60.029 61.557 -1.528 1
1 857 . 16 1 1 A 69 69 SER CB C 591 62.045 63.023 -0.978 1
1 858 . 16 1 1 A 69 69 SER N N 591 111.445 113.032 -1.587 1
1 859 . 16 1 1 A 70 70 ILE H H 592 7.386 7.878 -0.492 1
1 860 . 16 1 1 A 70 70 ILE HA H 592 3.361 3.656 -0.295 1
1 870 . 16 1 1 A 70 70 ILE CA C 592 65.332 64.864 0.468 1
1 871 . 16 1 1 A 70 70 ILE CB C 592 38.427 37.462 0.965 1
1 875 . 16 1 1 A 70 70 ILE N N 592 122.407 120.910 1.497 1
1 876 . 16 1 1 A 71 71 ILE H H 593 8.332 8.247 0.085 1
1 877 . 16 1 1 A 71 71 ILE HA H 593 3.256 3.522 -0.266 1
1 887 . 16 1 1 A 71 71 ILE CA C 593 65.023 64.998 0.025 1
1 888 . 16 1 1 A 71 71 ILE CB C 593 36.662 37.584 -0.922 1
1 892 . 16 1 1 A 71 71 ILE N N 593 117.779 121.341 -3.562 1
1 893 . 16 1 1 A 72 72 THR H H 594 7.834 8.285 -0.451 1
1 894 . 16 1 1 A 72 72 THR HA H 594 3.845 3.789 0.056 1
1 899 . 16 1 1 A 72 72 THR CA C 594 67.376 66.532 0.844 1
1 900 . 16 1 1 A 72 72 THR CB C 594 68.291 68.401 -0.110 1
1 902 . 16 1 1 A 72 72 THR N N 594 117.154 115.607 1.547 1
1 903 . 16 1 1 A 73 73 LYS H H 595 7.803 8.223 -0.420 1
1 904 . 16 1 1 A 73 73 LYS HA H 595 3.936 4.155 -0.219 1
1 913 . 16 1 1 A 73 73 LYS CA C 595 59.853 58.565 1.288 1
1 914 . 16 1 1 A 73 73 LYS CB C 595 32.531 32.106 0.425 1
1 918 . 16 1 1 A 73 73 LYS N N 595 122.657 119.882 2.775 1
1 919 . 16 1 1 A 74 74 LEU H H 596 8.088 7.790 0.298 1
1 920 . 16 1 1 A 74 74 LEU HA H 596 3.681 3.850 -0.169 1
1 930 . 16 1 1 A 74 74 LEU CA C 596 57.217 56.595 0.622 1
1 931 . 16 1 1 A 74 74 LEU CB C 596 41.122 42.478 -1.356 1
1 935 . 16 1 1 A 74 74 LEU N N 596 119.593 121.344 -1.751 1
1 936 . 16 1 1 A 75 75 ASN H H 597 8.949 8.689 0.260 1
1 937 . 16 1 1 A 75 75 ASN HA H 597 4.471 4.339 0.132 1
1 942 . 16 1 1 A 75 75 ASN CA C 597 54.735 56.648 -1.913 1
1 943 . 16 1 1 A 75 75 ASN CB C 597 37.074 38.132 -1.058 1
1 944 . 16 1 1 A 75 75 ASN N N 597 121.103 117.420 3.683 1
1 946 . 16 1 1 A 76 76 SER H H 598 7.927 8.028 -0.101 1
1 947 . 16 1 1 A 76 76 SER HA H 598 4.137 4.138 -0.001 1
1 950 . 16 1 1 A 76 76 SER CA C 598 60.952 61.453 -0.501 1
1 951 . 16 1 1 A 76 76 SER CB C 598 62.516 62.315 0.201 1
1 952 . 16 1 1 A 76 76 SER N N 598 116.716 114.528 2.188 1
1 953 . 16 1 1 A 77 77 LEU H H 599 7.543 7.632 -0.089 1
1 954 . 16 1 1 A 77 77 LEU HA H 599 3.974 4.028 -0.054 1
1 964 . 16 1 1 A 77 77 LEU CA C 599 57.200 56.902 0.298 1
1 965 . 16 1 1 A 77 77 LEU CB C 599 41.749 42.120 -0.371 1
1 969 . 16 1 1 A 77 77 LEU N N 599 121.292 122.738 -1.446 1
1 970 . 16 1 1 A 78 78 ASN H H 600 7.755 7.862 -0.107 1
1 971 . 16 1 1 A 78 78 ASN HA H 600 4.114 4.257 -0.143 1
1 976 . 16 1 1 A 78 78 ASN CA C 600 53.603 54.468 -0.865 1
1 977 . 16 1 1 A 78 78 ASN CB C 600 37.688 37.858 -0.170 1
1 978 . 16 1 1 A 78 78 ASN N N 600 113.272 117.683 -4.411 1
1 980 . 16 1 1 A 79 79 GLU H H 601 8.389 7.928 0.461 1
1 981 . 16 1 1 A 79 79 GLU HA H 601 4.675 4.406 0.269 1
1 986 . 16 1 1 A 79 79 GLU CA C 601 53.418 54.555 -1.137 1
1 987 . 16 1 1 A 79 79 GLU CB C 601 30.704 29.280 1.424 1
1 989 . 16 1 1 A 79 79 GLU N N 601 118.840 119.453 -0.613 1
1 990 . 16 1 1 A 80 80 PRO HA H 602 4.771 4.902 -0.131 1
1 997 . 16 1 1 A 80 80 PRO CA C 602 62.189 62.583 -0.394 1
1 998 . 16 1 1 A 80 80 PRO CB C 602 32.196 31.994 0.202 1
1 1001 . 16 1 1 A 81 81 LEU H H 603 8.539 8.881 -0.342 1
1 1002 . 16 1 1 A 81 81 LEU HA H 603 5.766 5.286 0.480 1
1 1012 . 16 1 1 A 81 81 LEU CA C 603 53.432 53.059 0.373 1
1 1013 . 16 1 1 A 81 81 LEU CB C 603 48.114 45.794 2.320 1
1 1017 . 16 1 1 A 81 81 LEU N N 603 118.455 122.243 -3.788 1
1 1018 . 16 1 1 A 82 82 VAL H H 604 8.322 8.521 -0.199 1
1 1019 . 16 1 1 A 82 82 VAL HA H 604 5.110 4.832 0.278 1
1 1027 . 16 1 1 A 82 82 VAL CA C 604 59.609 61.116 -1.507 1
1 1028 . 16 1 1 A 82 82 VAL CB C 604 34.100 33.036 1.064 1
1 1031 . 16 1 1 A 82 82 VAL N N 604 121.259 120.329 0.930 1
1 1032 . 16 1 1 A 83 83 THR H H 605 8.570 8.426 0.144 1
1 1033 . 16 1 1 A 83 83 THR HA H 605 5.107 4.720 0.387 1
1 1038 . 16 1 1 A 83 83 THR CA C 605 59.606 61.214 -1.608 1
1 1039 . 16 1 1 A 83 83 THR CB C 605 71.321 71.703 -0.382 1
1 1041 . 16 1 1 A 83 83 THR N N 605 117.620 122.842 -5.222 1
1 1042 . 16 1 1 A 84 84 MET H H 606 8.288 8.694 -0.406 1
1 1043 . 16 1 1 A 84 84 MET HA H 606 5.310 4.679 0.631 1
1 1051 . 16 1 1 A 84 84 MET CA C 606 55.491 55.158 0.333 1
1 1052 . 16 1 1 A 84 84 MET CB C 606 31.549 32.000 -0.451 1
1 1055 . 16 1 1 A 84 84 MET N N 606 125.405 123.095 2.310 1
1 1056 . 16 1 1 A 85 85 PRO HA H 607 4.048 4.493 -0.445 1
1 1063 . 16 1 1 A 85 85 PRO CA C 607 63.608 63.436 0.172 1
1 1064 . 16 1 1 A 85 85 PRO CB C 607 31.291 32.153 -0.862 1
1 1067 . 16 1 1 A 86 86 ILE H H 608 8.326 8.652 -0.326 1
1 1068 . 16 1 1 A 86 86 ILE HA H 608 3.423 4.152 -0.729 1
1 1078 . 16 1 1 A 86 86 ILE CA C 608 63.457 62.633 0.824 1
1 1079 . 16 1 1 A 86 86 ILE CB C 608 35.800 38.450 -2.650 1
1 1083 . 16 1 1 A 86 86 ILE N N 608 133.106 119.595 13.511 1
1 1084 . 16 1 1 A 87 87 GLY H H 609 8.549 7.950 0.599 1
1 1085 . 16 1 1 A 87 87 GLY HA2 H 609 3.448 3.682 -0.234 1
1 1086 . 16 1 1 A 87 87 GLY HA3 H 609 4.101 3.824 0.277 1
1 1087 . 16 1 1 A 87 87 GLY CA C 609 44.556 46.325 -1.769 1
1 1088 . 16 1 1 A 87 87 GLY N N 609 111.653 109.541 2.112 1
1 1089 . 16 1 1 A 88 88 TYR H H 610 7.224 8.679 -1.455 1
1 1090 . 16 1 1 A 88 88 TYR HA H 610 4.437 4.896 -0.459 1
1 1097 . 16 1 1 A 88 88 TYR CA C 610 57.670 56.842 0.828 1
1 1098 . 16 1 1 A 88 88 TYR CB C 610 38.604 39.988 -1.384 1
1 1101 . 16 1 1 A 88 88 TYR N N 610 121.537 123.722 -2.185 1
1 1102 . 16 1 1 A 89 89 VAL H H 611 8.953 7.997 0.956 1
1 1103 . 16 1 1 A 89 89 VAL HA H 611 3.065 3.599 -0.534 1
1 1111 . 16 1 1 A 89 89 VAL CA C 611 70.009 66.026 3.983 1
1 1112 . 16 1 1 A 89 89 VAL CB C 611 30.422 31.229 -0.807 1
1 1115 . 16 1 1 A 89 89 VAL N N 611 128.074 119.903 8.171 1
1 1116 . 16 1 1 A 90 90 THR H H 612 9.348 8.096 1.252 1
1 1117 . 16 1 1 A 90 90 THR HA H 612 3.810 4.119 -0.309 1
1 1122 . 16 1 1 A 90 90 THR CA C 612 64.727 65.298 -0.571 1
1 1123 . 16 1 1 A 90 90 THR CB C 612 68.005 68.830 -0.825 1
1 1125 . 16 1 1 A 90 90 THR N N 612 117.972 114.250 3.722 1
1 1126 . 16 1 1 A 91 91 HIS H H 613 7.651 8.157 -0.506 1
1 1127 . 16 1 1 A 91 91 HIS HA H 613 4.685 4.565 0.120 1
1 1131 . 16 1 1 A 91 91 HIS CA C 613 55.419 55.784 -0.365 1
1 1132 . 16 1 1 A 91 91 HIS CB C 613 29.092 29.655 -0.563 1
1 1134 . 16 1 1 A 91 91 HIS N N 613 119.034 117.576 1.458 1
1 1135 . 16 1 1 A 92 92 GLY H H 614 7.655 8.150 -0.495 1
1 1136 . 16 1 1 A 92 92 GLY HA2 H 614 3.665 3.861 -0.196 1
1 1137 . 16 1 1 A 92 92 GLY HA3 H 614 4.095 3.907 0.188 1
1 1138 . 16 1 1 A 92 92 GLY CA C 614 45.035 46.213 -1.178 1
1 1139 . 16 1 1 A 92 92 GLY N N 614 106.031 109.361 -3.330 1
1 1140 . 16 1 1 A 93 93 PHE H H 615 6.716 8.332 -1.616 1
1 1141 . 16 1 1 A 93 93 PHE HA H 615 5.244 4.582 0.662 1
1 1149 . 16 1 1 A 93 93 PHE CA C 615 53.904 58.179 -4.275 1
1 1150 . 16 1 1 A 93 93 PHE CB C 615 38.587 39.919 -1.332 1
1 1154 . 16 1 1 A 93 93 PHE N N 615 116.220 119.066 -2.846 1
1 1155 . 16 1 1 A 94 94 ASN H H 616 9.141 8.690 0.451 1
1 1156 . 16 1 1 A 94 94 ASN HA H 616 4.956 5.089 -0.133 1
1 1161 . 16 1 1 A 94 94 ASN CA C 616 51.278 52.464 -1.186 1
1 1162 . 16 1 1 A 94 94 ASN CB C 616 37.692 40.157 -2.465 1
1 1163 . 16 1 1 A 94 94 ASN N N 616 122.153 121.018 1.135 1
1 1165 . 16 1 1 A 95 95 LEU H H 617 8.684 8.966 -0.282 1
1 1166 . 16 1 1 A 95 95 LEU HA H 617 3.831 4.124 -0.293 1
1 1176 . 16 1 1 A 95 95 LEU CA C 617 58.457 58.411 0.046 1
1 1177 . 16 1 1 A 95 95 LEU CB C 617 41.985 41.396 0.589 1
1 1181 . 16 1 1 A 95 95 LEU N N 617 119.153 126.199 -7.046 1
1 1182 . 16 1 1 A 96 96 GLU H H 618 7.747 7.994 -0.247 1
1 1183 . 16 1 1 A 96 96 GLU HA H 618 2.864 3.317 -0.453 1
1 1188 . 16 1 1 A 96 96 GLU CA C 618 59.402 59.704 -0.302 1
1 1189 . 16 1 1 A 96 96 GLU CB C 618 28.323 28.579 -0.256 1
1 1191 . 16 1 1 A 96 96 GLU N N 618 120.199 119.126 1.073 1
1 1192 . 16 1 1 A 97 97 GLU H H 619 8.503 7.932 0.571 1
1 1193 . 16 1 1 A 97 97 GLU HA H 619 3.497 3.874 -0.377 1
1 1198 . 16 1 1 A 97 97 GLU CA C 619 58.251 58.848 -0.597 1
1 1199 . 16 1 1 A 97 97 GLU CB C 619 29.073 29.652 -0.579 1
1 1201 . 16 1 1 A 97 97 GLU N N 619 118.988 119.370 -0.382 1
1 1202 . 16 1 1 A 98 98 ALA H H 620 8.311 8.595 -0.284 1
1 1203 . 16 1 1 A 98 98 ALA HA H 620 4.211 4.386 -0.175 1
1 1207 . 16 1 1 A 98 98 ALA CA C 620 54.717 55.182 -0.465 1
1 1208 . 16 1 1 A 98 98 ALA CB C 620 18.635 18.121 0.514 1
1 1209 . 16 1 1 A 98 98 ALA N N 620 121.102 123.701 -2.599 1
1 1210 . 16 1 1 A 99 99 ALA H H 621 8.570 7.988 0.582 1
1 1211 . 16 1 1 A 99 99 ALA HA H 621 3.831 3.497 0.334 1
1 1215 . 16 1 1 A 99 99 ALA CA C 621 55.004 54.937 0.067 1
1 1216 . 16 1 1 A 99 99 ALA CB C 621 18.548 17.700 0.848 1
1 1217 . 16 1 1 A 99 99 ALA N N 621 121.431 119.559 1.872 1
1 1218 . 16 1 1 A 100 100 ARG H H 622 7.646 8.214 -0.568 1
1 1219 . 16 1 1 A 100 100 ARG HA H 622 3.636 3.971 -0.335 1
1 1226 . 16 1 1 A 100 100 ARG CA C 622 59.556 58.806 0.750 1
1 1227 . 16 1 1 A 100 100 ARG CB C 622 29.420 30.182 -0.762 1
1 1230 . 16 1 1 A 100 100 ARG N N 622 114.812 117.423 -2.611 1
1 1231 . 16 1 1 A 101 101 CYS H H 623 7.503 8.037 -0.534 1
1 1232 . 16 1 1 A 101 101 CYS HA H 623 4.081 4.183 -0.102 1
1 1235 . 16 1 1 A 101 101 CYS CA C 623 62.364 62.338 0.026 1
1 1236 . 16 1 1 A 101 101 CYS CB C 623 26.301 27.178 -0.877 1
1 1237 . 16 1 1 A 101 101 CYS N N 623 118.667 118.537 0.130 1
1 1238 . 16 1 1 A 102 102 MET H H 624 8.332 8.588 -0.256 1
1 1239 . 16 1 1 A 102 102 MET HA H 624 4.165 4.257 -0.092 1
1 1247 . 16 1 1 A 102 102 MET CA C 624 55.808 58.009 -2.201 1
1 1248 . 16 1 1 A 102 102 MET CB C 624 30.500 33.518 -3.018 1
1 1251 . 16 1 1 A 102 102 MET N N 624 119.480 119.331 0.149 1
1 1252 . 16 1 1 A 103 103 ARG H H 625 7.505 8.516 -1.011 1
1 1253 . 16 1 1 A 103 103 ARG HA H 625 4.022 4.147 -0.125 1
1 1260 . 16 1 1 A 103 103 ARG CA C 625 58.658 58.690 -0.032 1
1 1261 . 16 1 1 A 103 103 ARG CB C 625 30.413 29.695 0.718 1
1 1264 . 16 1 1 A 103 103 ARG N N 625 120.614 117.893 2.721 1
1 1265 . 16 1 1 A 104 104 SER H H 626 7.635 7.789 -0.154 1
1 1266 . 16 1 1 A 104 104 SER HA H 626 4.278 4.472 -0.194 1
1 1269 . 16 1 1 A 104 104 SER CA C 626 58.925 59.379 -0.454 1
1 1270 . 16 1 1 A 104 104 SER CB C 626 63.785 63.905 -0.120 1
1 1271 . 16 1 1 A 104 104 SER N N 626 111.144 113.352 -2.208 1
1 1272 . 16 1 1 A 105 105 LEU H H 627 7.602 7.507 0.095 1
1 1273 . 16 1 1 A 105 105 LEU HA H 627 4.387 4.535 -0.148 1
1 1283 . 16 1 1 A 105 105 LEU CA C 627 55.025 55.465 -0.440 1
1 1284 . 16 1 1 A 105 105 LEU CB C 627 42.360 42.705 -0.345 1
1 1288 . 16 1 1 A 105 105 LEU N N 627 125.064 122.568 2.496 1
1 1289 . 16 1 1 A 106 106 LYS H H 628 9.724 8.886 0.838 1
1 1290 . 16 1 1 A 106 106 LYS HA H 628 4.244 4.350 -0.106 1
1 1299 . 16 1 1 A 106 106 LYS CA C 628 54.781 56.152 -1.371 1
1 1300 . 16 1 1 A 106 106 LYS CB C 628 33.456 32.929 0.527 1
1 1304 . 16 1 1 A 106 106 LYS N N 628 128.616 125.461 3.155 1
1 1305 . 16 1 1 A 107 107 ALA H H 629 6.593 7.455 -0.862 1
1 1306 . 16 1 1 A 107 107 ALA HA H 629 4.420 4.731 -0.311 1
1 1310 . 16 1 1 A 107 107 ALA CA C 629 50.003 50.007 -0.004 1
1 1311 . 16 1 1 A 107 107 ALA CB C 629 17.219 21.744 -4.525 1
1 1312 . 16 1 1 A 107 107 ALA N N 629 124.084 120.875 3.209 1
1 1313 . 16 1 1 A 108 108 PRO HA H 630 4.302 4.777 -0.475 1
1 1320 . 16 1 1 A 108 108 PRO CA C 630 62.816 62.416 0.400 1
1 1321 . 16 1 1 A 108 108 PRO CB C 630 31.743 31.881 -0.138 1
1 1324 . 16 1 1 A 109 109 ALA H H 631 7.898 8.242 -0.344 1
1 1325 . 16 1 1 A 109 109 ALA HA H 631 5.092 4.809 0.283 1
1 1329 . 16 1 1 A 109 109 ALA CA C 631 50.966 50.912 0.054 1
1 1330 . 16 1 1 A 109 109 ALA CB C 631 22.217 21.712 0.505 1
1 1331 . 16 1 1 A 109 109 ALA N N 631 122.466 124.861 -2.395 1
1 1332 . 16 1 1 A 110 110 VAL H H 632 8.071 8.520 -0.449 1
1 1333 . 16 1 1 A 110 110 VAL HA H 632 4.167 4.706 -0.539 1
1 1341 . 16 1 1 A 110 110 VAL CA C 632 61.685 61.547 0.138 1
1 1342 . 16 1 1 A 110 110 VAL CB C 632 32.856 33.792 -0.936 1
1 1345 . 16 1 1 A 110 110 VAL N N 632 125.531 118.518 7.013 1
1 1346 . 16 1 1 A 111 111 VAL H H 633 8.182 8.809 -0.627 1
1 1347 . 16 1 1 A 111 111 VAL HA H 633 4.731 4.858 -0.127 1
1 1355 . 16 1 1 A 111 111 VAL CA C 633 59.473 60.121 -0.648 1
1 1356 . 16 1 1 A 111 111 VAL CB C 633 32.919 34.047 -1.128 1
1 1359 . 16 1 1 A 111 111 VAL N N 633 128.148 128.101 0.047 1
1 1360 . 16 1 1 A 112 112 SER H H 634 8.591 8.791 -0.200 1
1 1361 . 16 1 1 A 112 112 SER HA H 634 4.920 5.021 -0.101 1
1 1364 . 16 1 1 A 112 112 SER CA C 634 53.905 58.017 -4.112 1
1 1365 . 16 1 1 A 112 112 SER CB C 634 64.651 63.795 0.856 1
1 1366 . 16 1 1 A 112 112 SER N N 634 119.276 126.051 -6.775 1
1 1367 . 16 1 1 A 113 113 VAL H H 635 8.503 8.208 0.295 1
1 1368 . 16 1 1 A 113 113 VAL HA H 635 4.522 4.549 -0.027 1
1 1376 . 16 1 1 A 113 113 VAL CA C 635 59.398 58.897 0.501 1
1 1377 . 16 1 1 A 113 113 VAL CB C 635 32.548 34.199 -1.651 1
1 1380 . 16 1 1 A 113 113 VAL N N 635 118.886 120.317 -1.431 1
1 1381 . 16 1 1 A 114 114 SER H H 636 8.263 8.549 -0.286 1
1 1382 . 16 1 1 A 114 114 SER HA H 636 3.940 4.260 -0.320 1
1 1385 . 16 1 1 A 114 114 SER CA C 636 61.597 61.679 -0.082 1
1 1386 . 16 1 1 A 114 114 SER CB C 636 63.321 63.211 0.110 1
1 1387 . 16 1 1 A 114 114 SER N N 636 112.710 117.498 -4.788 1
1 1388 . 16 1 1 A 115 115 SER H H 637 7.269 8.009 -0.740 1
1 1389 . 16 1 1 A 115 115 SER HA H 637 4.956 4.928 0.028 1
1 1392 . 16 1 1 A 115 115 SER CA C 637 55.674 55.836 -0.162 1
1 1393 . 16 1 1 A 115 115 SER CB C 637 64.074 65.798 -1.724 1
1 1394 . 16 1 1 A 115 115 SER N N 637 114.537 113.732 0.805 1
1 1395 . 16 1 1 A 116 116 PRO HA H 638 4.186 4.261 -0.075 1
1 1402 . 16 1 1 A 116 116 PRO CA C 638 65.021 64.908 0.113 1
1 1403 . 16 1 1 A 116 116 PRO CB C 638 31.908 32.001 -0.093 1
1 1406 . 16 1 1 A 117 117 ASP H H 639 8.161 8.417 -0.256 1
1 1407 . 16 1 1 A 117 117 ASP HA H 639 4.359 4.417 -0.058 1
1 1410 . 16 1 1 A 117 117 ASP CA C 639 55.928 57.124 -1.196 1
1 1411 . 16 1 1 A 117 117 ASP CB C 639 40.088 40.563 -0.475 1
1 1412 . 16 1 1 A 117 117 ASP N N 639 116.310 117.466 -1.156 1
1 1413 . 16 1 1 A 118 118 ALA H H 640 7.596 7.879 -0.283 1
1 1414 . 16 1 1 A 118 118 ALA HA H 640 4.225 4.100 0.125 1
1 1418 . 16 1 1 A 118 118 ALA CA C 640 52.964 54.535 -1.571 1
1 1419 . 16 1 1 A 118 118 ALA CB C 640 18.334 18.643 -0.309 1
1 1420 . 16 1 1 A 118 118 ALA N N 640 121.066 122.520 -1.454 1
1 1421 . 16 1 1 A 119 119 VAL H H 641 7.280 7.425 -0.145 1
1 1422 . 16 1 1 A 119 119 VAL HA H 641 3.221 3.451 -0.230 1
1 1430 . 16 1 1 A 119 119 VAL CA C 641 66.608 67.112 -0.504 1
1 1431 . 16 1 1 A 119 119 VAL CB C 641 31.436 31.761 -0.325 1
1 1434 . 16 1 1 A 119 119 VAL N N 641 120.886 119.826 1.060 1
1 1435 . 16 1 1 A 120 120 THR H H 642 7.475 8.099 -0.624 1
1 1436 . 16 1 1 A 120 120 THR HA H 642 3.840 3.915 -0.075 1
1 1441 . 16 1 1 A 120 120 THR CA C 642 65.297 66.416 -1.119 1
1 1442 . 16 1 1 A 120 120 THR CB C 642 68.042 68.215 -0.173 1
1 1444 . 16 1 1 A 120 120 THR N N 642 112.821 115.897 -3.076 1
1 1445 . 16 1 1 A 121 121 THR H H 643 7.328 8.035 -0.707 1
1 1446 . 16 1 1 A 121 121 THR HA H 643 3.477 3.748 -0.271 1
1 1451 . 16 1 1 A 121 121 THR CA C 643 65.341 66.499 -1.158 1
1 1452 . 16 1 1 A 121 121 THR CB C 643 68.196 68.532 -0.336 1
1 1454 . 16 1 1 A 121 121 THR N N 643 119.194 116.951 2.243 1
1 1455 . 16 1 1 A 122 122 TYR H H 644 8.766 8.336 0.430 1
1 1456 . 16 1 1 A 122 122 TYR HA H 644 3.764 4.139 -0.375 1
1 1463 . 16 1 1 A 122 122 TYR CA C 644 62.340 61.871 0.469 1
1 1464 . 16 1 1 A 122 122 TYR CB C 644 39.106 38.614 0.492 1
1 1467 . 16 1 1 A 122 122 TYR N N 644 122.838 120.786 2.052 1
1 1468 . 16 1 1 A 123 123 ASN H H 645 8.290 8.645 -0.355 1
1 1469 . 16 1 1 A 123 123 ASN HA H 645 4.299 4.506 -0.207 1
1 1474 . 16 1 1 A 123 123 ASN CA C 645 55.018 56.107 -1.089 1
1 1475 . 16 1 1 A 123 123 ASN CB C 645 36.967 37.907 -0.940 1
1 1476 . 16 1 1 A 123 123 ASN N N 645 116.356 117.584 -1.228 1
1 1478 . 16 1 1 A 124 124 GLY H H 646 7.768 8.359 -0.591 1
1 1479 . 16 1 1 A 124 124 GLY HA2 H 646 3.639 3.501 0.138 1
1 1480 . 16 1 1 A 124 124 GLY HA3 H 646 3.707 3.659 0.048 1
1 1481 . 16 1 1 A 124 124 GLY CA C 646 46.521 47.080 -0.559 1
1 1482 . 16 1 1 A 124 124 GLY N N 646 108.260 108.499 -0.239 1
1 1483 . 16 1 1 A 125 125 TYR H H 647 7.386 7.233 0.153 1
1 1484 . 16 1 1 A 125 125 TYR HA H 647 4.608 4.688 -0.080 1
1 1491 . 16 1 1 A 125 125 TYR CA C 647 57.204 59.905 -2.701 1
1 1492 . 16 1 1 A 125 125 TYR CB C 647 37.557 37.329 0.228 1
1 1495 . 16 1 1 A 125 125 TYR N N 647 120.587 121.447 -0.860 1
1 1496 . 16 1 1 A 126 126 LEU H H 648 7.802 7.594 0.208 1
1 1497 . 16 1 1 A 126 126 LEU HA H 648 3.801 4.062 -0.261 1
1 1507 . 16 1 1 A 126 126 LEU CA C 648 56.663 57.328 -0.665 1
1 1508 . 16 1 1 A 126 126 LEU CB C 648 42.298 41.870 0.428 1
1 1512 . 16 1 1 A 126 126 LEU N N 648 119.234 119.354 -0.120 1
1 1513 . 16 1 1 A 127 127 THR H H 649 7.473 7.769 -0.296 1
1 1514 . 16 1 1 A 127 127 THR HA H 649 4.238 4.567 -0.329 1
1 1519 . 16 1 1 A 127 127 THR CA C 649 61.868 61.335 0.533 1
1 1520 . 16 1 1 A 127 127 THR CB C 649 69.451 69.478 -0.027 1
1 1522 . 16 1 1 A 127 127 THR N N 649 108.633 111.769 -3.136 1
1 1523 . 16 1 1 A 128 128 SER H H 650 7.696 7.608 0.088 1
1 1524 . 16 1 1 A 128 128 SER HA H 650 4.439 4.828 -0.389 1
1 1527 . 16 1 1 A 128 128 SER CA C 650 58.451 56.966 1.485 1
1 1528 . 16 1 1 A 128 128 SER CB C 650 63.763 63.690 0.073 1
1 1529 . 16 1 1 A 128 128 SER N N 650 117.667 114.856 2.811 1
1 1 . 17 1 1 A 2 2 SER HA H -3 4.607 4.793 -0.186 1
1 4 . 17 1 1 A 2 2 SER C C -3 174.489 173.496 0.993 1
1 5 . 17 1 1 A 2 2 SER CA C -3 56.994 56.048 0.946 1
1 6 . 17 1 1 A 2 2 SER CB C -3 64.641 66.275 -1.634 1
1 7 . 17 1 1 A 2 2 SER N N -3 115.970 119.160 -3.190 1
1 8 . 17 1 1 A 3 3 HIS H H -2 8.138 8.936 -0.798 1
1 9 . 17 1 1 A 3 3 HIS HA H -2 4.558 4.219 0.339 1
1 13 . 17 1 1 A 3 3 HIS C C -2 176.502 174.280 2.222 1
1 14 . 17 1 1 A 3 3 HIS CA C -2 56.164 56.667 -0.503 1
1 15 . 17 1 1 A 3 3 HIS CB C -2 30.643 28.190 2.453 1
1 17 . 17 1 1 A 3 3 HIS N N -2 122.640 123.661 -1.021 1
1 39 . 17 1 1 A 6 6 THR H H 528 7.755 8.686 -0.931 1
1 40 . 17 1 1 A 6 6 THR HA H 528 5.155 4.002 1.153 1
1 45 . 17 1 1 A 6 6 THR C C 528 174.544 174.232 0.312 1
1 46 . 17 1 1 A 6 6 THR CA C 528 60.657 63.467 -2.810 1
1 47 . 17 1 1 A 6 6 THR CB C 528 68.218 69.481 -1.263 1
1 49 . 17 1 1 A 6 6 THR N N 528 118.293 115.640 2.653 1
1 50 . 17 1 1 A 7 7 VAL H H 529 8.966 9.274 -0.308 1
1 51 . 17 1 1 A 7 7 VAL HA H 529 4.240 4.979 -0.739 1
1 59 . 17 1 1 A 7 7 VAL C C 529 174.012 174.281 -0.269 1
1 60 . 17 1 1 A 7 7 VAL CA C 529 58.309 58.765 -0.456 1
1 61 . 17 1 1 A 7 7 VAL CB C 529 35.661 35.638 0.023 1
1 64 . 17 1 1 A 7 7 VAL N N 529 121.381 121.068 0.313 1
1 65 . 17 1 1 A 8 8 SER H H 530 8.193 8.897 -0.704 1
1 66 . 17 1 1 A 8 8 SER HA H 530 4.825 5.244 -0.419 1
1 69 . 17 1 1 A 8 8 SER C C 530 172.908 173.005 -0.097 1
1 70 . 17 1 1 A 8 8 SER CA C 530 55.790 56.510 -0.720 1
1 71 . 17 1 1 A 8 8 SER CB C 530 62.800 63.439 -0.639 1
1 72 . 17 1 1 A 8 8 SER N N 530 113.044 115.396 -2.352 1
1 73 . 17 1 1 A 9 9 TRP H H 531 7.595 9.122 -1.527 1
1 74 . 17 1 1 A 9 9 TRP HA H 531 5.353 5.143 0.210 1
1 83 . 17 1 1 A 9 9 TRP C C 531 177.031 175.045 1.986 1
1 84 . 17 1 1 A 9 9 TRP CA C 531 51.902 56.250 -4.348 1
1 85 . 17 1 1 A 9 9 TRP CB C 531 32.848 32.941 -0.093 1
1 91 . 17 1 1 A 9 9 TRP N N 531 124.627 126.416 -1.789 1
1 93 . 17 1 1 A 10 10 ASN H H 532 9.312 8.608 0.704 1
1 94 . 17 1 1 A 10 10 ASN HA H 532 4.601 5.232 -0.631 1
1 99 . 17 1 1 A 10 10 ASN C C 532 175.214 175.866 -0.652 1
1 100 . 17 1 1 A 10 10 ASN CA C 532 51.428 51.382 0.046 1
1 101 . 17 1 1 A 10 10 ASN CB C 532 38.140 41.208 -3.068 1
1 102 . 17 1 1 A 10 10 ASN N N 532 121.842 117.330 4.512 1
1 104 . 17 1 1 A 11 11 LEU H H 533 8.503 8.949 -0.446 1
1 105 . 17 1 1 A 11 11 LEU HA H 533 4.086 4.112 -0.026 1
1 115 . 17 1 1 A 11 11 LEU C C 533 178.309 178.442 -0.133 1
1 116 . 17 1 1 A 11 11 LEU CA C 533 58.491 58.487 0.004 1
1 117 . 17 1 1 A 11 11 LEU CB C 533 41.525 41.954 -0.429 1
1 121 . 17 1 1 A 11 11 LEU N N 533 119.723 120.853 -1.130 1
1 122 . 17 1 1 A 12 12 ARG H H 534 8.057 8.436 -0.379 1
1 123 . 17 1 1 A 12 12 ARG HA H 534 3.840 4.052 -0.212 1
1 130 . 17 1 1 A 12 12 ARG C C 534 179.597 179.335 0.262 1
1 131 . 17 1 1 A 12 12 ARG CA C 534 59.873 59.084 0.789 1
1 132 . 17 1 1 A 12 12 ARG CB C 534 29.076 30.123 -1.047 1
1 135 . 17 1 1 A 12 12 ARG N N 534 117.711 118.629 -0.918 1
1 136 . 17 1 1 A 13 13 GLU H H 535 8.342 8.291 0.051 1
1 137 . 17 1 1 A 13 13 GLU HA H 535 3.724 4.048 -0.324 1
1 142 . 17 1 1 A 13 13 GLU C C 535 179.948 179.177 0.771 1
1 143 . 17 1 1 A 13 13 GLU CA C 535 58.753 59.039 -0.286 1
1 144 . 17 1 1 A 13 13 GLU CB C 535 29.402 29.275 0.127 1
1 146 . 17 1 1 A 13 13 GLU N N 535 121.501 119.993 1.508 1
1 147 . 17 1 1 A 14 14 MET H H 536 8.684 8.563 0.121 1
1 148 . 17 1 1 A 14 14 MET HA H 536 3.945 4.447 -0.502 1
1 156 . 17 1 1 A 14 14 MET C C 536 177.364 178.684 -1.320 1
1 157 . 17 1 1 A 14 14 MET CA C 536 60.550 58.799 1.751 1
1 158 . 17 1 1 A 14 14 MET CB C 536 34.412 33.076 1.336 1
1 161 . 17 1 1 A 14 14 MET N N 536 120.565 119.934 0.631 1
1 162 . 17 1 1 A 15 15 LEU H H 537 8.731 8.493 0.238 1
1 163 . 17 1 1 A 15 15 LEU HA H 537 3.970 4.185 -0.215 1
1 173 . 17 1 1 A 15 15 LEU C C 537 178.544 178.465 0.079 1
1 174 . 17 1 1 A 15 15 LEU CA C 537 57.723 58.241 -0.518 1
1 175 . 17 1 1 A 15 15 LEU CB C 537 41.396 41.829 -0.433 1
1 179 . 17 1 1 A 15 15 LEU N N 537 118.710 121.024 -2.314 1
1 180 . 17 1 1 A 16 16 ALA H H 538 7.816 8.621 -0.805 1
1 181 . 17 1 1 A 16 16 ALA HA H 538 4.026 4.138 -0.112 1
1 185 . 17 1 1 A 16 16 ALA C C 538 180.374 179.924 0.450 1
1 186 . 17 1 1 A 16 16 ALA CA C 538 54.734 55.056 -0.322 1
1 187 . 17 1 1 A 16 16 ALA CB C 538 17.670 17.977 -0.307 1
1 188 . 17 1 1 A 16 16 ALA N N 538 120.155 121.152 -0.997 1
1 189 . 17 1 1 A 17 17 HIS H H 539 7.715 8.162 -0.447 1
1 190 . 17 1 1 A 17 17 HIS HA H 539 4.180 4.284 -0.104 1
1 194 . 17 1 1 A 17 17 HIS C C 539 179.167 176.635 2.532 1
1 195 . 17 1 1 A 17 17 HIS CA C 539 59.392 59.578 -0.186 1
1 196 . 17 1 1 A 17 17 HIS CB C 539 29.094 29.890 -0.796 1
1 198 . 17 1 1 A 17 17 HIS N N 539 117.446 117.946 -0.500 1
1 199 . 17 1 1 A 18 18 ALA H H 540 8.995 8.472 0.523 1
1 200 . 17 1 1 A 18 18 ALA HA H 540 3.656 3.865 -0.209 1
1 204 . 17 1 1 A 18 18 ALA C C 540 180.803 179.709 1.094 1
1 205 . 17 1 1 A 18 18 ALA CA C 540 55.762 55.269 0.493 1
1 206 . 17 1 1 A 18 18 ALA CB C 540 18.380 18.268 0.112 1
1 207 . 17 1 1 A 18 18 ALA N N 540 124.222 120.898 3.324 1
1 208 . 17 1 1 A 19 19 GLU H H 541 8.840 8.407 0.433 1
1 209 . 17 1 1 A 19 19 GLU HA H 541 3.695 3.941 -0.246 1
1 214 . 17 1 1 A 19 19 GLU C C 541 178.479 178.454 0.025 1
1 215 . 17 1 1 A 19 19 GLU CA C 541 59.695 59.786 -0.091 1
1 216 . 17 1 1 A 19 19 GLU CB C 541 29.740 29.357 0.383 1
1 218 . 17 1 1 A 19 19 GLU N N 541 121.086 117.878 3.208 1
1 219 . 17 1 1 A 20 20 GLU H H 542 7.649 8.174 -0.525 1
1 220 . 17 1 1 A 20 20 GLU HA H 542 3.980 4.094 -0.114 1
1 225 . 17 1 1 A 20 20 GLU C C 542 178.212 178.210 0.002 1
1 226 . 17 1 1 A 20 20 GLU CA C 542 58.593 59.395 -0.802 1
1 227 . 17 1 1 A 20 20 GLU CB C 542 30.293 29.362 0.931 1
1 229 . 17 1 1 A 20 20 GLU N N 542 117.027 119.039 -2.012 1
1 230 . 17 1 1 A 21 21 THR H H 543 7.588 7.671 -0.083 1
1 231 . 17 1 1 A 21 21 THR HA H 543 4.105 4.310 -0.205 1
1 236 . 17 1 1 A 21 21 THR C C 543 175.320 174.353 0.967 1
1 237 . 17 1 1 A 21 21 THR CA C 543 62.110 61.642 0.468 1
1 238 . 17 1 1 A 21 21 THR CB C 543 70.747 69.527 1.220 1
1 240 . 17 1 1 A 21 21 THR N N 543 105.058 107.211 -2.153 1
1 241 . 17 1 1 A 22 22 ARG H H 544 7.678 7.582 0.096 1
1 242 . 17 1 1 A 22 22 ARG HA H 544 3.925 3.781 0.144 1
1 249 . 17 1 1 A 22 22 ARG C C 544 175.207 174.539 0.668 1
1 250 . 17 1 1 A 22 22 ARG CA C 544 55.996 57.194 -1.198 1
1 251 . 17 1 1 A 22 22 ARG CB C 544 24.959 27.023 -2.064 1
1 254 . 17 1 1 A 22 22 ARG N N 544 116.694 117.258 -0.564 1
1 255 . 17 1 1 A 23 23 LYS H H 545 6.931 7.383 -0.452 1
1 256 . 17 1 1 A 23 23 LYS HA H 545 4.169 4.668 -0.499 1
1 265 . 17 1 1 A 23 23 LYS C C 545 174.855 175.295 -0.440 1
1 266 . 17 1 1 A 23 23 LYS CA C 545 56.339 54.326 2.013 1
1 267 . 17 1 1 A 23 23 LYS CB C 545 36.104 34.249 1.855 1
1 271 . 17 1 1 A 23 23 LYS N N 545 117.744 117.858 -0.114 1
1 272 . 17 1 1 A 24 24 LEU H H 546 7.898 8.327 -0.429 1
1 273 . 17 1 1 A 24 24 LEU HA H 546 4.487 4.517 -0.030 1
1 283 . 17 1 1 A 24 24 LEU C C 546 175.730 175.249 0.481 1
1 284 . 17 1 1 A 24 24 LEU CA C 546 54.171 55.594 -1.423 1
1 285 . 17 1 1 A 24 24 LEU CB C 546 43.228 42.725 0.503 1
1 289 . 17 1 1 A 24 24 LEU N N 546 122.692 123.832 -1.140 1
1 290 . 17 1 1 A 25 25 MET H H 547 8.767 8.674 0.093 1
1 291 . 17 1 1 A 25 25 MET HA H 547 5.728 5.048 0.680 1
1 299 . 17 1 1 A 25 25 MET CA C 547 51.900 52.395 -0.495 1
1 300 . 17 1 1 A 25 25 MET CB C 547 34.876 34.213 0.663 1
1 303 . 17 1 1 A 25 25 MET N N 547 126.346 125.745 0.601 1
1 304 . 17 1 1 A 26 26 PRO HA H 548 5.994 5.361 0.633 1
1 311 . 17 1 1 A 26 26 PRO C C 548 176.241 176.448 -0.207 1
1 312 . 17 1 1 A 26 26 PRO CA C 548 61.285 62.743 -1.458 1
1 313 . 17 1 1 A 26 26 PRO CB C 548 32.260 32.258 0.002 1
1 316 . 17 1 1 A 27 27 ILE H H 549 9.054 8.903 0.151 1
1 317 . 17 1 1 A 27 27 ILE HA H 549 4.284 4.800 -0.516 1
1 327 . 17 1 1 A 27 27 ILE C C 549 173.407 174.999 -1.592 1
1 328 . 17 1 1 A 27 27 ILE CA C 549 57.503 59.629 -2.126 1
1 329 . 17 1 1 A 27 27 ILE CB C 549 41.581 42.460 -0.879 1
1 333 . 17 1 1 A 27 27 ILE N N 549 126.281 122.581 3.700 1
1 334 . 17 1 1 A 28 28 CYS H H 550 8.459 8.521 -0.062 1
1 335 . 17 1 1 A 28 28 CYS HA H 550 3.704 3.744 -0.040 1
1 339 . 17 1 1 A 28 28 CYS C C 550 174.180 175.876 -1.696 1
1 340 . 17 1 1 A 28 28 CYS CA C 550 56.873 58.913 -2.040 1
1 341 . 17 1 1 A 28 28 CYS CB C 550 27.537 28.402 -0.865 1
1 342 . 17 1 1 A 28 28 CYS N N 550 125.844 126.526 -0.682 1
1 343 . 17 1 1 A 29 29 MET H H 551 8.782 8.740 0.042 1
1 344 . 17 1 1 A 29 29 MET HA H 551 4.637 4.002 0.635 1
1 352 . 17 1 1 A 29 29 MET C C 551 174.613 177.099 -2.486 1
1 353 . 17 1 1 A 29 29 MET CA C 551 56.871 57.054 -0.183 1
1 354 . 17 1 1 A 29 29 MET CB C 551 34.394 31.196 3.198 1
1 357 . 17 1 1 A 29 29 MET N N 551 127.467 126.808 0.659 1
1 358 . 17 1 1 A 30 30 ASP H H 552 7.308 7.975 -0.667 1
1 359 . 17 1 1 A 30 30 ASP HA H 552 4.562 4.400 0.162 1
1 362 . 17 1 1 A 30 30 ASP C C 552 175.386 176.118 -0.732 1
1 363 . 17 1 1 A 30 30 ASP CA C 552 54.371 55.336 -0.965 1
1 364 . 17 1 1 A 30 30 ASP CB C 552 41.751 40.337 1.414 1
1 365 . 17 1 1 A 30 30 ASP N N 552 117.209 119.826 -2.617 1
1 366 . 17 1 1 A 31 31 VAL H H 553 7.257 7.585 -0.328 1
1 367 . 17 1 1 A 31 31 VAL HA H 553 4.057 4.212 -0.155 1
1 375 . 17 1 1 A 31 31 VAL C C 553 175.729 175.954 -0.225 1
1 376 . 17 1 1 A 31 31 VAL CA C 553 61.834 61.531 0.303 1
1 377 . 17 1 1 A 31 31 VAL CB C 553 30.034 31.945 -1.911 1
1 380 . 17 1 1 A 31 31 VAL N N 553 120.645 119.305 1.340 1
1 381 . 17 1 1 A 32 32 ARG H H 554 8.412 8.563 -0.151 1
1 382 . 17 1 1 A 32 32 ARG HA H 554 3.794 3.996 -0.202 1
1 389 . 17 1 1 A 32 32 ARG C C 554 178.819 178.084 0.735 1
1 390 . 17 1 1 A 32 32 ARG CA C 554 59.725 59.801 -0.076 1
1 391 . 17 1 1 A 32 32 ARG CB C 554 29.537 29.893 -0.356 1
1 394 . 17 1 1 A 32 32 ARG N N 554 130.554 127.888 2.666 1
1 395 . 17 1 1 A 33 33 ALA H H 555 9.094 7.882 1.212 1
1 396 . 17 1 1 A 33 33 ALA HA H 555 4.081 4.098 -0.017 1
1 400 . 17 1 1 A 33 33 ALA C C 555 180.716 179.100 1.616 1
1 401 . 17 1 1 A 33 33 ALA CA C 555 55.002 54.533 0.469 1
1 402 . 17 1 1 A 33 33 ALA CB C 555 18.462 18.432 0.030 1
1 403 . 17 1 1 A 33 33 ALA N N 555 119.862 120.946 -1.084 1
1 404 . 17 1 1 A 34 34 ILE H H 556 6.620 7.456 -0.836 1
1 405 . 17 1 1 A 34 34 ILE HA H 556 3.745 3.947 -0.202 1
1 415 . 17 1 1 A 34 34 ILE C C 556 177.540 178.000 -0.460 1
1 416 . 17 1 1 A 34 34 ILE CA C 556 64.101 64.199 -0.098 1
1 417 . 17 1 1 A 34 34 ILE CB C 556 38.397 38.037 0.360 1
1 421 . 17 1 1 A 34 34 ILE N N 556 116.216 117.445 -1.229 1
1 422 . 17 1 1 A 35 35 MET H H 557 7.619 8.180 -0.561 1
1 423 . 17 1 1 A 35 35 MET HA H 557 4.249 4.014 0.235 1
1 431 . 17 1 1 A 35 35 MET C C 557 178.737 178.668 0.069 1
1 432 . 17 1 1 A 35 35 MET CA C 557 56.113 58.706 -2.593 1
1 433 . 17 1 1 A 35 35 MET CB C 557 29.490 31.817 -2.327 1
1 436 . 17 1 1 A 35 35 MET N N 557 118.017 118.367 -0.350 1
1 437 . 17 1 1 A 36 36 ALA H H 558 8.410 8.207 0.203 1
1 438 . 17 1 1 A 36 36 ALA HA H 558 4.084 4.014 0.070 1
1 442 . 17 1 1 A 36 36 ALA C C 558 180.632 179.917 0.715 1
1 443 . 17 1 1 A 36 36 ALA CA C 558 55.024 55.160 -0.136 1
1 444 . 17 1 1 A 36 36 ALA CB C 558 17.698 18.657 -0.959 1
1 445 . 17 1 1 A 36 36 ALA N N 558 121.592 121.142 0.450 1
1 446 . 17 1 1 A 37 37 THR H H 559 7.294 8.163 -0.869 1
1 447 . 17 1 1 A 37 37 THR HA H 559 3.858 3.893 -0.035 1
1 452 . 17 1 1 A 37 37 THR C C 559 176.419 176.723 -0.304 1
1 453 . 17 1 1 A 37 37 THR CA C 559 66.590 67.427 -0.837 1
1 454 . 17 1 1 A 37 37 THR CB C 559 68.001 68.798 -0.797 1
1 456 . 17 1 1 A 37 37 THR N N 559 115.835 113.787 2.048 1
1 457 . 17 1 1 A 38 38 ILE H H 560 8.109 7.992 0.117 1
1 458 . 17 1 1 A 38 38 ILE HA H 560 3.698 3.739 -0.041 1
1 468 . 17 1 1 A 38 38 ILE C C 560 176.934 178.088 -1.154 1
1 469 . 17 1 1 A 38 38 ILE CA C 560 65.952 65.430 0.522 1
1 470 . 17 1 1 A 38 38 ILE CB C 560 38.252 37.418 0.834 1
1 474 . 17 1 1 A 38 38 ILE N N 560 121.886 121.388 0.498 1
1 475 . 17 1 1 A 39 39 GLN H H 561 8.425 8.622 -0.197 1
1 476 . 17 1 1 A 39 39 GLN HA H 561 3.809 4.176 -0.367 1
1 483 . 17 1 1 A 39 39 GLN C C 561 177.126 178.822 -1.696 1
1 484 . 17 1 1 A 39 39 GLN CA C 561 58.751 59.174 -0.423 1
1 485 . 17 1 1 A 39 39 GLN CB C 561 29.255 28.115 1.140 1
1 487 . 17 1 1 A 39 39 GLN N N 561 116.211 118.107 -1.896 1
1 489 . 17 1 1 A 40 40 ARG H H 562 7.334 8.251 -0.917 1
1 490 . 17 1 1 A 40 40 ARG HA H 562 4.092 4.010 0.082 1
1 497 . 17 1 1 A 40 40 ARG C C 562 177.186 178.780 -1.594 1
1 498 . 17 1 1 A 40 40 ARG CA C 562 57.837 59.426 -1.589 1
1 499 . 17 1 1 A 40 40 ARG CB C 562 30.668 30.017 0.651 1
1 502 . 17 1 1 A 40 40 ARG N N 562 116.464 120.664 -4.200 1
1 503 . 17 1 1 A 41 41 LYS H H 563 7.802 7.310 0.492 1
1 504 . 17 1 1 A 41 41 LYS HA H 563 3.926 3.955 -0.029 1
1 513 . 17 1 1 A 41 41 LYS C C 563 176.735 176.257 0.478 1
1 514 . 17 1 1 A 41 41 LYS CA C 563 57.866 58.466 -0.600 1
1 515 . 17 1 1 A 41 41 LYS CB C 563 33.314 32.746 0.568 1
1 519 . 17 1 1 A 41 41 LYS N N 563 118.658 118.944 -0.286 1
1 520 . 17 1 1 A 42 42 TYR H H 564 8.208 8.455 -0.247 1
1 521 . 17 1 1 A 42 42 TYR HA H 564 4.786 5.311 -0.525 1
1 528 . 17 1 1 A 42 42 TYR C C 564 174.346 175.798 -1.452 1
1 529 . 17 1 1 A 42 42 TYR CA C 564 55.497 56.354 -0.857 1
1 530 . 17 1 1 A 42 42 TYR CB C 564 36.075 38.337 -2.262 1
1 533 . 17 1 1 A 42 42 TYR N N 564 121.157 117.652 3.505 1
1 534 . 17 1 1 A 43 43 LYS H H 565 7.212 8.452 -1.240 1
1 535 . 17 1 1 A 43 43 LYS HA H 565 4.081 4.244 -0.163 1
1 544 . 17 1 1 A 43 43 LYS C C 565 179.082 178.851 0.231 1
1 545 . 17 1 1 A 43 43 LYS CA C 565 58.075 59.121 -1.046 1
1 546 . 17 1 1 A 43 43 LYS CB C 565 32.157 32.745 -0.588 1
1 550 . 17 1 1 A 43 43 LYS N N 565 119.412 124.668 -5.256 1
1 551 . 17 1 1 A 44 44 GLY H H 566 9.179 8.207 0.972 1
1 552 . 17 1 1 A 44 44 GLY HA2 H 566 3.607 3.842 -0.235 1
1 553 . 17 1 1 A 44 44 GLY HA3 H 566 4.252 3.868 0.384 1
1 554 . 17 1 1 A 44 44 GLY C C 566 173.990 174.093 -0.103 1
1 555 . 17 1 1 A 44 44 GLY CA C 566 44.860 45.816 -0.956 1
1 556 . 17 1 1 A 44 44 GLY N N 566 114.958 106.950 8.008 1
1 557 . 17 1 1 A 45 45 ILE H H 567 7.604 7.184 0.420 1
1 558 . 17 1 1 A 45 45 ILE HA H 567 2.533 3.675 -1.142 1
1 568 . 17 1 1 A 45 45 ILE C C 567 172.893 175.096 -2.203 1
1 569 . 17 1 1 A 45 45 ILE CA C 567 61.754 61.404 0.350 1
1 570 . 17 1 1 A 45 45 ILE CB C 567 38.302 38.667 -0.365 1
1 574 . 17 1 1 A 45 45 ILE N N 567 122.496 121.793 0.703 1
1 575 . 17 1 1 A 46 46 LYS H H 568 7.733 8.520 -0.787 1
1 576 . 17 1 1 A 46 46 LYS HA H 568 4.307 4.882 -0.575 1
1 585 . 17 1 1 A 46 46 LYS C C 568 174.772 175.377 -0.605 1
1 586 . 17 1 1 A 46 46 LYS CA C 568 54.069 54.806 -0.737 1
1 587 . 17 1 1 A 46 46 LYS CB C 568 31.741 34.565 -2.824 1
1 591 . 17 1 1 A 46 46 LYS N N 568 128.712 126.225 2.487 1
1 592 . 17 1 1 A 47 47 ILE H H 569 8.081 8.881 -0.800 1
1 593 . 17 1 1 A 47 47 ILE HA H 569 3.166 4.426 -1.260 1
1 603 . 17 1 1 A 47 47 ILE CA C 569 61.564 60.983 0.581 1
1 604 . 17 1 1 A 47 47 ILE CB C 569 36.718 36.289 0.429 1
1 608 . 17 1 1 A 47 47 ILE N N 569 124.424 126.159 -1.735 1
1 609 . 17 1 1 A 48 48 GLN H H 570 6.700 8.007 -1.307 1
1 610 . 17 1 1 A 48 48 GLN HA H 570 4.205 4.691 -0.486 1
1 617 . 17 1 1 A 48 48 GLN CA C 570 53.129 54.397 -1.268 1
1 618 . 17 1 1 A 48 48 GLN CB C 570 31.211 29.915 1.296 1
1 620 . 17 1 1 A 48 48 GLN N N 570 122.748 126.617 -3.869 1
1 622 . 17 1 1 A 49 49 GLU H H 571 8.218 8.573 -0.355 1
1 623 . 17 1 1 A 49 49 GLU HA H 571 3.727 4.847 -1.120 1
1 628 . 17 1 1 A 49 49 GLU CA C 571 57.976 56.443 1.533 1
1 629 . 17 1 1 A 49 49 GLU CB C 571 30.954 29.910 1.044 1
1 631 . 17 1 1 A 49 49 GLU N N 571 116.531 121.298 -4.767 1
1 632 . 17 1 1 A 50 50 GLY H H 572 8.967 8.197 0.770 1
1 633 . 17 1 1 A 50 50 GLY HA2 H 572 2.810 4.234 -1.424 1
1 634 . 17 1 1 A 50 50 GLY HA3 H 572 4.198 4.257 -0.059 1
1 635 . 17 1 1 A 50 50 GLY CA C 572 43.607 44.392 -0.785 1
1 636 . 17 1 1 A 50 50 GLY N N 572 111.469 111.270 0.199 1
1 637 . 17 1 1 A 51 51 ILE H H 573 8.410 8.632 -0.222 1
1 638 . 17 1 1 A 51 51 ILE HA H 573 4.916 4.545 0.371 1
1 648 . 17 1 1 A 51 51 ILE CA C 573 61.137 61.708 -0.571 1
1 649 . 17 1 1 A 51 51 ILE CB C 573 38.165 37.777 0.388 1
1 653 . 17 1 1 A 51 51 ILE N N 573 120.591 122.317 -1.726 1
1 654 . 17 1 1 A 52 52 VAL H H 574 8.900 8.696 0.204 1
1 655 . 17 1 1 A 52 52 VAL HA H 574 4.073 4.960 -0.887 1
1 663 . 17 1 1 A 52 52 VAL CA C 574 62.516 59.777 2.739 1
1 664 . 17 1 1 A 52 52 VAL CB C 574 35.957 35.868 0.089 1
1 667 . 17 1 1 A 52 52 VAL N N 574 131.435 125.253 6.182 1
1 668 . 17 1 1 A 53 53 ASP H H 575 8.731 8.861 -0.130 1
1 669 . 17 1 1 A 53 53 ASP HA H 575 4.953 5.133 -0.180 1
1 672 . 17 1 1 A 53 53 ASP CA C 575 52.137 53.707 -1.570 1
1 673 . 17 1 1 A 53 53 ASP CB C 575 40.659 41.874 -1.215 1
1 674 . 17 1 1 A 53 53 ASP N N 575 126.463 127.268 -0.805 1
1 675 . 17 1 1 A 54 54 TYR H H 576 8.639 9.040 -0.401 1
1 676 . 17 1 1 A 54 54 TYR HA H 576 4.407 4.904 -0.497 1
1 683 . 17 1 1 A 54 54 TYR CA C 576 57.833 57.899 -0.066 1
1 684 . 17 1 1 A 54 54 TYR CB C 576 38.634 40.772 -2.138 1
1 687 . 17 1 1 A 54 54 TYR N N 576 131.097 126.675 4.422 1
1 688 . 17 1 1 A 55 55 GLY H H 577 8.388 9.014 -0.626 1
1 689 . 17 1 1 A 55 55 GLY HA2 H 577 3.056 3.938 -0.882 1
1 690 . 17 1 1 A 55 55 GLY HA3 H 577 4.307 4.102 0.205 1
1 691 . 17 1 1 A 55 55 GLY CA C 577 46.347 45.793 0.554 1
1 692 . 17 1 1 A 55 55 GLY N N 577 115.719 116.567 -0.848 1
1 693 . 17 1 1 A 56 56 VAL H H 578 7.143 8.048 -0.905 1
1 694 . 17 1 1 A 56 56 VAL HA H 578 3.410 4.492 -1.082 1
1 702 . 17 1 1 A 56 56 VAL CA C 578 60.335 59.916 0.419 1
1 703 . 17 1 1 A 56 56 VAL CB C 578 35.027 35.192 -0.165 1
1 706 . 17 1 1 A 56 56 VAL N N 578 124.853 120.389 4.464 1
1 707 . 17 1 1 A 57 57 ARG H H 579 8.091 8.038 0.053 1
1 708 . 17 1 1 A 57 57 ARG HA H 579 4.292 4.691 -0.399 1
1 715 . 17 1 1 A 57 57 ARG CA C 579 55.039 55.457 -0.418 1
1 716 . 17 1 1 A 57 57 ARG CB C 579 29.224 30.856 -1.632 1
1 719 . 17 1 1 A 57 57 ARG N N 579 124.754 125.072 -0.318 1
1 720 . 17 1 1 A 58 58 PHE H H 580 8.499 9.061 -0.562 1
1 721 . 17 1 1 A 58 58 PHE HA H 580 4.647 5.263 -0.616 1
1 729 . 17 1 1 A 58 58 PHE CA C 580 57.563 56.539 1.024 1
1 730 . 17 1 1 A 58 58 PHE CB C 580 42.026 41.607 0.419 1
1 734 . 17 1 1 A 58 58 PHE N N 580 124.105 122.914 1.191 1
1 735 . 17 1 1 A 59 59 PHE H H 581 7.683 8.861 -1.178 1
1 736 . 17 1 1 A 59 59 PHE HA H 581 4.689 4.991 -0.302 1
1 743 . 17 1 1 A 59 59 PHE CA C 581 56.662 56.220 0.442 1
1 744 . 17 1 1 A 59 59 PHE CB C 581 41.024 40.482 0.542 1
1 747 . 17 1 1 A 59 59 PHE N N 581 119.707 122.706 -2.999 1
1 748 . 17 1 1 A 60 60 PHE H H 582 8.898 8.458 0.440 1
1 749 . 17 1 1 A 60 60 PHE HA H 582 5.563 5.126 0.437 1
1 757 . 17 1 1 A 60 60 PHE CA C 582 57.615 58.438 -0.823 1
1 758 . 17 1 1 A 60 60 PHE CB C 582 39.539 40.508 -0.969 1
1 762 . 17 1 1 A 60 60 PHE N N 582 127.157 126.563 0.594 1
1 763 . 17 1 1 A 61 61 TYR H H 583 8.441 8.817 -0.376 1
1 764 . 17 1 1 A 61 61 TYR HA H 583 5.301 5.422 -0.121 1
1 771 . 17 1 1 A 61 61 TYR CA C 583 54.556 55.713 -1.157 1
1 772 . 17 1 1 A 61 61 TYR CB C 583 41.444 41.396 0.048 1
1 775 . 17 1 1 A 61 61 TYR N N 583 119.072 118.964 0.108 1
1 776 . 17 1 1 A 62 62 THR H H 584 9.444 8.649 0.795 1
1 777 . 17 1 1 A 62 62 THR HA H 584 4.680 5.056 -0.376 1
1 782 . 17 1 1 A 62 62 THR CA C 584 59.784 60.414 -0.630 1
1 783 . 17 1 1 A 62 62 THR CB C 584 71.274 70.754 0.520 1
1 785 . 17 1 1 A 62 62 THR N N 584 113.469 112.365 1.104 1
1 786 . 17 1 1 A 63 63 SER H H 585 9.092 9.111 -0.019 1
1 787 . 17 1 1 A 63 63 SER HA H 585 4.685 4.264 0.421 1
1 790 . 17 1 1 A 63 63 SER CA C 585 59.665 60.852 -1.187 1
1 791 . 17 1 1 A 63 63 SER CB C 585 62.835 62.714 0.121 1
1 792 . 17 1 1 A 63 63 SER N N 585 114.155 120.604 -6.449 1
1 793 . 17 1 1 A 64 64 LYS H H 586 7.484 7.834 -0.350 1
1 794 . 17 1 1 A 64 64 LYS HA H 586 4.074 4.162 -0.088 1
1 803 . 17 1 1 A 64 64 LYS CA C 586 55.960 59.571 -3.611 1
1 804 . 17 1 1 A 64 64 LYS CB C 586 32.662 32.080 0.582 1
1 808 . 17 1 1 A 64 64 LYS N N 586 118.230 119.243 -1.013 1
1 809 . 17 1 1 A 65 65 GLU H H 587 7.194 7.787 -0.593 1
1 810 . 17 1 1 A 65 65 GLU HA H 587 4.584 4.544 0.040 1
1 815 . 17 1 1 A 65 65 GLU CA C 587 53.443 55.260 -1.817 1
1 816 . 17 1 1 A 65 65 GLU CB C 587 30.381 29.036 1.345 1
1 818 . 17 1 1 A 65 65 GLU N N 587 124.837 118.776 6.061 1
1 819 . 17 1 1 A 66 66 PRO HA H 588 4.506 4.538 -0.032 1
1 826 . 17 1 1 A 66 66 PRO CA C 588 62.620 63.269 -0.649 1
1 827 . 17 1 1 A 66 66 PRO CB C 588 32.368 32.108 0.260 1
1 830 . 17 1 1 A 67 67 VAL H H 589 8.545 8.262 0.283 1
1 831 . 17 1 1 A 67 67 VAL HA H 589 3.136 3.185 -0.049 1
1 839 . 17 1 1 A 67 67 VAL CA C 589 66.588 66.785 -0.197 1
1 840 . 17 1 1 A 67 67 VAL CB C 589 30.979 31.369 -0.390 1
1 843 . 17 1 1 A 67 67 VAL N N 589 123.156 123.391 -0.235 1
1 844 . 17 1 1 A 68 68 ALA H H 590 8.700 8.428 0.272 1
1 845 . 17 1 1 A 68 68 ALA HA H 590 3.953 3.938 0.015 1
1 849 . 17 1 1 A 68 68 ALA CA C 590 54.867 55.562 -0.695 1
1 850 . 17 1 1 A 68 68 ALA CB C 590 18.134 18.465 -0.331 1
1 851 . 17 1 1 A 68 68 ALA N N 590 118.895 122.446 -3.551 1
1 852 . 17 1 1 A 69 69 SER H H 591 6.961 8.019 -1.058 1
1 853 . 17 1 1 A 69 69 SER HA H 591 4.195 4.197 -0.002 1
1 856 . 17 1 1 A 69 69 SER CA C 591 60.029 61.435 -1.406 1
1 857 . 17 1 1 A 69 69 SER CB C 591 62.045 62.888 -0.843 1
1 858 . 17 1 1 A 69 69 SER N N 591 111.445 112.478 -1.033 1
1 859 . 17 1 1 A 70 70 ILE H H 592 7.386 7.852 -0.466 1
1 860 . 17 1 1 A 70 70 ILE HA H 592 3.361 3.584 -0.223 1
1 870 . 17 1 1 A 70 70 ILE CA C 592 65.332 64.512 0.820 1
1 871 . 17 1 1 A 70 70 ILE CB C 592 38.427 37.643 0.784 1
1 875 . 17 1 1 A 70 70 ILE N N 592 122.407 121.556 0.851 1
1 876 . 17 1 1 A 71 71 ILE H H 593 8.332 8.229 0.103 1
1 877 . 17 1 1 A 71 71 ILE HA H 593 3.256 3.485 -0.229 1
1 887 . 17 1 1 A 71 71 ILE CA C 593 65.023 65.094 -0.071 1
1 888 . 17 1 1 A 71 71 ILE CB C 593 36.662 37.474 -0.812 1
1 892 . 17 1 1 A 71 71 ILE N N 593 117.779 121.404 -3.625 1
1 893 . 17 1 1 A 72 72 THR H H 594 7.834 8.184 -0.350 1
1 894 . 17 1 1 A 72 72 THR HA H 594 3.845 3.963 -0.118 1
1 899 . 17 1 1 A 72 72 THR CA C 594 67.376 66.643 0.733 1
1 900 . 17 1 1 A 72 72 THR CB C 594 68.291 68.826 -0.535 1
1 902 . 17 1 1 A 72 72 THR N N 594 117.154 116.358 0.796 1
1 903 . 17 1 1 A 73 73 LYS H H 595 7.803 7.778 0.025 1
1 904 . 17 1 1 A 73 73 LYS HA H 595 3.936 4.091 -0.155 1
1 913 . 17 1 1 A 73 73 LYS CA C 595 59.853 59.528 0.325 1
1 914 . 17 1 1 A 73 73 LYS CB C 595 32.531 32.559 -0.028 1
1 918 . 17 1 1 A 73 73 LYS N N 595 122.657 120.700 1.957 1
1 919 . 17 1 1 A 74 74 LEU H H 596 8.088 7.856 0.232 1
1 920 . 17 1 1 A 74 74 LEU HA H 596 3.681 3.958 -0.277 1
1 930 . 17 1 1 A 74 74 LEU CA C 596 57.217 58.100 -0.883 1
1 931 . 17 1 1 A 74 74 LEU CB C 596 41.122 41.511 -0.389 1
1 935 . 17 1 1 A 74 74 LEU N N 596 119.593 120.119 -0.526 1
1 936 . 17 1 1 A 75 75 ASN H H 597 8.949 8.754 0.195 1
1 937 . 17 1 1 A 75 75 ASN HA H 597 4.471 4.380 0.091 1
1 942 . 17 1 1 A 75 75 ASN CA C 597 54.735 56.643 -1.908 1
1 943 . 17 1 1 A 75 75 ASN CB C 597 37.074 38.157 -1.083 1
1 944 . 17 1 1 A 75 75 ASN N N 597 121.103 118.531 2.572 1
1 946 . 17 1 1 A 76 76 SER H H 598 7.927 8.198 -0.271 1
1 947 . 17 1 1 A 76 76 SER HA H 598 4.137 4.147 -0.010 1
1 950 . 17 1 1 A 76 76 SER CA C 598 60.952 61.530 -0.578 1
1 951 . 17 1 1 A 76 76 SER CB C 598 62.516 62.275 0.241 1
1 952 . 17 1 1 A 76 76 SER N N 598 116.716 114.681 2.035 1
1 953 . 17 1 1 A 77 77 LEU H H 599 7.543 7.482 0.061 1
1 954 . 17 1 1 A 77 77 LEU HA H 599 3.974 4.067 -0.093 1
1 964 . 17 1 1 A 77 77 LEU CA C 599 57.200 56.651 0.549 1
1 965 . 17 1 1 A 77 77 LEU CB C 599 41.749 42.288 -0.539 1
1 969 . 17 1 1 A 77 77 LEU N N 599 121.292 122.081 -0.789 1
1 970 . 17 1 1 A 78 78 ASN H H 600 7.755 8.534 -0.779 1
1 971 . 17 1 1 A 78 78 ASN HA H 600 4.114 4.306 -0.192 1
1 976 . 17 1 1 A 78 78 ASN CA C 600 53.603 54.632 -1.029 1
1 977 . 17 1 1 A 78 78 ASN CB C 600 37.688 38.201 -0.513 1
1 978 . 17 1 1 A 78 78 ASN N N 600 113.272 117.699 -4.427 1
1 980 . 17 1 1 A 79 79 GLU H H 601 8.389 7.877 0.512 1
1 981 . 17 1 1 A 79 79 GLU HA H 601 4.675 4.439 0.236 1
1 986 . 17 1 1 A 79 79 GLU CA C 601 53.418 54.808 -1.390 1
1 987 . 17 1 1 A 79 79 GLU CB C 601 30.704 29.074 1.630 1
1 989 . 17 1 1 A 79 79 GLU N N 601 118.840 120.343 -1.503 1
1 990 . 17 1 1 A 80 80 PRO HA H 602 4.771 4.865 -0.094 1
1 997 . 17 1 1 A 80 80 PRO CA C 602 62.189 62.709 -0.520 1
1 998 . 17 1 1 A 80 80 PRO CB C 602 32.196 31.803 0.393 1
1 1001 . 17 1 1 A 81 81 LEU H H 603 8.539 8.550 -0.011 1
1 1002 . 17 1 1 A 81 81 LEU HA H 603 5.766 5.013 0.753 1
1 1012 . 17 1 1 A 81 81 LEU CA C 603 53.432 53.335 0.097 1
1 1013 . 17 1 1 A 81 81 LEU CB C 603 48.114 43.935 4.179 1
1 1017 . 17 1 1 A 81 81 LEU N N 603 118.455 124.121 -5.666 1
1 1018 . 17 1 1 A 82 82 VAL H H 604 8.322 8.086 0.236 1
1 1019 . 17 1 1 A 82 82 VAL HA H 604 5.110 4.850 0.260 1
1 1027 . 17 1 1 A 82 82 VAL CA C 604 59.609 60.983 -1.374 1
1 1028 . 17 1 1 A 82 82 VAL CB C 604 34.100 32.516 1.584 1
1 1031 . 17 1 1 A 82 82 VAL N N 604 121.259 120.360 0.899 1
1 1032 . 17 1 1 A 83 83 THR H H 605 8.570 8.545 0.025 1
1 1033 . 17 1 1 A 83 83 THR HA H 605 5.107 4.834 0.273 1
1 1038 . 17 1 1 A 83 83 THR CA C 605 59.606 60.506 -0.900 1
1 1039 . 17 1 1 A 83 83 THR CB C 605 71.321 71.598 -0.277 1
1 1041 . 17 1 1 A 83 83 THR N N 605 117.620 122.226 -4.606 1
1 1042 . 17 1 1 A 84 84 MET H H 606 8.288 8.940 -0.652 1
1 1043 . 17 1 1 A 84 84 MET HA H 606 5.310 4.575 0.735 1
1 1051 . 17 1 1 A 84 84 MET CA C 606 55.491 54.208 1.283 1
1 1052 . 17 1 1 A 84 84 MET CB C 606 31.549 33.500 -1.951 1
1 1055 . 17 1 1 A 84 84 MET N N 606 125.405 124.580 0.825 1
1 1056 . 17 1 1 A 85 85 PRO HA H 607 4.048 4.654 -0.606 1
1 1063 . 17 1 1 A 85 85 PRO CA C 607 63.608 62.905 0.703 1
1 1064 . 17 1 1 A 85 85 PRO CB C 607 31.291 31.808 -0.517 1
1 1067 . 17 1 1 A 86 86 ILE H H 608 8.326 8.621 -0.295 1
1 1068 . 17 1 1 A 86 86 ILE HA H 608 3.423 4.017 -0.594 1
1 1078 . 17 1 1 A 86 86 ILE CA C 608 63.457 64.337 -0.880 1
1 1079 . 17 1 1 A 86 86 ILE CB C 608 35.800 38.009 -2.209 1
1 1083 . 17 1 1 A 86 86 ILE N N 608 133.106 121.709 11.397 1
1 1084 . 17 1 1 A 87 87 GLY H H 609 8.549 7.966 0.583 1
1 1085 . 17 1 1 A 87 87 GLY HA2 H 609 3.448 3.568 -0.120 1
1 1086 . 17 1 1 A 87 87 GLY HA3 H 609 4.101 3.592 0.509 1
1 1087 . 17 1 1 A 87 87 GLY CA C 609 44.556 46.594 -2.038 1
1 1088 . 17 1 1 A 87 87 GLY N N 609 111.653 109.472 2.181 1
1 1089 . 17 1 1 A 88 88 TYR H H 610 7.224 8.196 -0.972 1
1 1090 . 17 1 1 A 88 88 TYR HA H 610 4.437 4.945 -0.508 1
1 1097 . 17 1 1 A 88 88 TYR CA C 610 57.670 56.745 0.925 1
1 1098 . 17 1 1 A 88 88 TYR CB C 610 38.604 39.954 -1.350 1
1 1101 . 17 1 1 A 88 88 TYR N N 610 121.537 123.935 -2.398 1
1 1102 . 17 1 1 A 89 89 VAL H H 611 8.953 7.902 1.051 1
1 1103 . 17 1 1 A 89 89 VAL HA H 611 3.065 3.638 -0.573 1
1 1111 . 17 1 1 A 89 89 VAL CA C 611 70.009 65.848 4.161 1
1 1112 . 17 1 1 A 89 89 VAL CB C 611 30.422 31.148 -0.726 1
1 1115 . 17 1 1 A 89 89 VAL N N 611 128.074 119.853 8.221 1
1 1116 . 17 1 1 A 90 90 THR H H 612 9.348 8.020 1.328 1
1 1117 . 17 1 1 A 90 90 THR HA H 612 3.810 4.138 -0.328 1
1 1122 . 17 1 1 A 90 90 THR CA C 612 64.727 65.337 -0.610 1
1 1123 . 17 1 1 A 90 90 THR CB C 612 68.005 68.797 -0.792 1
1 1125 . 17 1 1 A 90 90 THR N N 612 117.972 114.124 3.848 1
1 1126 . 17 1 1 A 91 91 HIS H H 613 7.651 8.251 -0.600 1
1 1127 . 17 1 1 A 91 91 HIS HA H 613 4.685 4.605 0.080 1
1 1131 . 17 1 1 A 91 91 HIS CA C 613 55.419 55.853 -0.434 1
1 1132 . 17 1 1 A 91 91 HIS CB C 613 29.092 29.797 -0.705 1
1 1134 . 17 1 1 A 91 91 HIS N N 613 119.034 117.655 1.379 1
1 1135 . 17 1 1 A 92 92 GLY H H 614 7.655 8.294 -0.639 1
1 1136 . 17 1 1 A 92 92 GLY HA2 H 614 3.665 3.860 -0.195 1
1 1137 . 17 1 1 A 92 92 GLY HA3 H 614 4.095 3.917 0.178 1
1 1138 . 17 1 1 A 92 92 GLY CA C 614 45.035 46.228 -1.193 1
1 1139 . 17 1 1 A 92 92 GLY N N 614 106.031 109.447 -3.416 1
1 1140 . 17 1 1 A 93 93 PHE H H 615 6.716 8.483 -1.767 1
1 1141 . 17 1 1 A 93 93 PHE HA H 615 5.244 4.562 0.682 1
1 1149 . 17 1 1 A 93 93 PHE CA C 615 53.904 58.142 -4.238 1
1 1150 . 17 1 1 A 93 93 PHE CB C 615 38.587 39.864 -1.277 1
1 1154 . 17 1 1 A 93 93 PHE N N 615 116.220 119.251 -3.031 1
1 1155 . 17 1 1 A 94 94 ASN H H 616 9.141 8.902 0.239 1
1 1156 . 17 1 1 A 94 94 ASN HA H 616 4.956 5.137 -0.181 1
1 1161 . 17 1 1 A 94 94 ASN CA C 616 51.278 53.129 -1.851 1
1 1162 . 17 1 1 A 94 94 ASN CB C 616 37.692 39.375 -1.683 1
1 1163 . 17 1 1 A 94 94 ASN N N 616 122.153 120.345 1.808 1
1 1165 . 17 1 1 A 95 95 LEU H H 617 8.684 8.942 -0.258 1
1 1166 . 17 1 1 A 95 95 LEU HA H 617 3.831 4.122 -0.291 1
1 1176 . 17 1 1 A 95 95 LEU CA C 617 58.457 58.234 0.223 1
1 1177 . 17 1 1 A 95 95 LEU CB C 617 41.985 41.395 0.590 1
1 1181 . 17 1 1 A 95 95 LEU N N 617 119.153 126.515 -7.362 1
1 1182 . 17 1 1 A 96 96 GLU H H 618 7.747 8.246 -0.499 1
1 1183 . 17 1 1 A 96 96 GLU HA H 618 2.864 3.134 -0.270 1
1 1188 . 17 1 1 A 96 96 GLU CA C 618 59.402 59.028 0.374 1
1 1189 . 17 1 1 A 96 96 GLU CB C 618 28.323 29.030 -0.707 1
1 1191 . 17 1 1 A 96 96 GLU N N 618 120.199 118.939 1.260 1
1 1192 . 17 1 1 A 97 97 GLU H H 619 8.503 8.107 0.396 1
1 1193 . 17 1 1 A 97 97 GLU HA H 619 3.497 3.902 -0.405 1
1 1198 . 17 1 1 A 97 97 GLU CA C 619 58.251 59.279 -1.028 1
1 1199 . 17 1 1 A 97 97 GLU CB C 619 29.073 29.131 -0.058 1
1 1201 . 17 1 1 A 97 97 GLU N N 619 118.988 117.857 1.131 1
1 1202 . 17 1 1 A 98 98 ALA H H 620 8.311 8.653 -0.342 1
1 1203 . 17 1 1 A 98 98 ALA HA H 620 4.211 4.543 -0.332 1
1 1207 . 17 1 1 A 98 98 ALA CA C 620 54.717 55.381 -0.664 1
1 1208 . 17 1 1 A 98 98 ALA CB C 620 18.635 18.367 0.268 1
1 1209 . 17 1 1 A 98 98 ALA N N 620 121.102 123.723 -2.621 1
1 1210 . 17 1 1 A 99 99 ALA H H 621 8.570 7.760 0.810 1
1 1211 . 17 1 1 A 99 99 ALA HA H 621 3.831 3.579 0.252 1
1 1215 . 17 1 1 A 99 99 ALA CA C 621 55.004 54.928 0.076 1
1 1216 . 17 1 1 A 99 99 ALA CB C 621 18.548 17.662 0.886 1
1 1217 . 17 1 1 A 99 99 ALA N N 621 121.431 119.358 2.073 1
1 1218 . 17 1 1 A 100 100 ARG H H 622 7.646 8.572 -0.926 1
1 1219 . 17 1 1 A 100 100 ARG HA H 622 3.636 4.095 -0.459 1
1 1226 . 17 1 1 A 100 100 ARG CA C 622 59.556 58.714 0.842 1
1 1227 . 17 1 1 A 100 100 ARG CB C 622 29.420 29.965 -0.545 1
1 1230 . 17 1 1 A 100 100 ARG N N 622 114.812 117.397 -2.585 1
1 1231 . 17 1 1 A 101 101 CYS H H 623 7.503 8.137 -0.634 1
1 1232 . 17 1 1 A 101 101 CYS HA H 623 4.081 4.461 -0.380 1
1 1235 . 17 1 1 A 101 101 CYS CA C 623 62.364 62.245 0.119 1
1 1236 . 17 1 1 A 101 101 CYS CB C 623 26.301 27.679 -1.378 1
1 1237 . 17 1 1 A 101 101 CYS N N 623 118.667 119.023 -0.356 1
1 1238 . 17 1 1 A 102 102 MET H H 624 8.332 8.410 -0.078 1
1 1239 . 17 1 1 A 102 102 MET HA H 624 4.165 4.239 -0.074 1
1 1247 . 17 1 1 A 102 102 MET CA C 624 55.808 57.937 -2.129 1
1 1248 . 17 1 1 A 102 102 MET CB C 624 30.500 31.844 -1.344 1
1 1251 . 17 1 1 A 102 102 MET N N 624 119.480 119.287 0.193 1
1 1252 . 17 1 1 A 103 103 ARG H H 625 7.505 8.457 -0.952 1
1 1253 . 17 1 1 A 103 103 ARG HA H 625 4.022 4.192 -0.170 1
1 1260 . 17 1 1 A 103 103 ARG CA C 625 58.658 58.608 0.050 1
1 1261 . 17 1 1 A 103 103 ARG CB C 625 30.413 29.799 0.614 1
1 1264 . 17 1 1 A 103 103 ARG N N 625 120.614 119.548 1.066 1
1 1265 . 17 1 1 A 104 104 SER H H 626 7.635 7.677 -0.042 1
1 1266 . 17 1 1 A 104 104 SER HA H 626 4.278 4.487 -0.209 1
1 1269 . 17 1 1 A 104 104 SER CA C 626 58.925 58.618 0.307 1
1 1270 . 17 1 1 A 104 104 SER CB C 626 63.785 63.410 0.375 1
1 1271 . 17 1 1 A 104 104 SER N N 626 111.144 114.422 -3.278 1
1 1272 . 17 1 1 A 105 105 LEU H H 627 7.602 7.522 0.080 1
1 1273 . 17 1 1 A 105 105 LEU HA H 627 4.387 4.580 -0.193 1
1 1283 . 17 1 1 A 105 105 LEU CA C 627 55.025 55.716 -0.691 1
1 1284 . 17 1 1 A 105 105 LEU CB C 627 42.360 42.555 -0.195 1
1 1288 . 17 1 1 A 105 105 LEU N N 627 125.064 122.825 2.239 1
1 1289 . 17 1 1 A 106 106 LYS H H 628 9.724 8.621 1.103 1
1 1290 . 17 1 1 A 106 106 LYS HA H 628 4.244 4.529 -0.285 1
1 1299 . 17 1 1 A 106 106 LYS CA C 628 54.781 55.854 -1.073 1
1 1300 . 17 1 1 A 106 106 LYS CB C 628 33.456 33.561 -0.105 1
1 1304 . 17 1 1 A 106 106 LYS N N 628 128.616 123.832 4.784 1
1 1305 . 17 1 1 A 107 107 ALA H H 629 6.593 7.596 -1.003 1
1 1306 . 17 1 1 A 107 107 ALA HA H 629 4.420 4.312 0.108 1
1 1310 . 17 1 1 A 107 107 ALA CA C 629 50.003 50.878 -0.875 1
1 1311 . 17 1 1 A 107 107 ALA CB C 629 17.219 18.925 -1.706 1
1 1312 . 17 1 1 A 107 107 ALA N N 629 124.084 123.154 0.930 1
1 1313 . 17 1 1 A 108 108 PRO HA H 630 4.302 4.734 -0.432 1
1 1320 . 17 1 1 A 108 108 PRO CA C 630 62.816 62.585 0.231 1
1 1321 . 17 1 1 A 108 108 PRO CB C 630 31.743 33.042 -1.299 1
1 1324 . 17 1 1 A 109 109 ALA H H 631 7.898 8.280 -0.382 1
1 1325 . 17 1 1 A 109 109 ALA HA H 631 5.092 4.968 0.124 1
1 1329 . 17 1 1 A 109 109 ALA CA C 631 50.966 51.184 -0.218 1
1 1330 . 17 1 1 A 109 109 ALA CB C 631 22.217 23.374 -1.157 1
1 1331 . 17 1 1 A 109 109 ALA N N 631 122.466 119.113 3.353 1
1 1332 . 17 1 1 A 110 110 VAL H H 632 8.071 8.797 -0.726 1
1 1333 . 17 1 1 A 110 110 VAL HA H 632 4.167 4.609 -0.442 1
1 1341 . 17 1 1 A 110 110 VAL CA C 632 61.685 61.644 0.041 1
1 1342 . 17 1 1 A 110 110 VAL CB C 632 32.856 32.626 0.230 1
1 1345 . 17 1 1 A 110 110 VAL N N 632 125.531 119.194 6.337 1
1 1346 . 17 1 1 A 111 111 VAL H H 633 8.182 8.598 -0.416 1
1 1347 . 17 1 1 A 111 111 VAL HA H 633 4.731 4.927 -0.196 1
1 1355 . 17 1 1 A 111 111 VAL CA C 633 59.473 60.785 -1.312 1
1 1356 . 17 1 1 A 111 111 VAL CB C 633 32.919 33.474 -0.555 1
1 1359 . 17 1 1 A 111 111 VAL N N 633 128.148 129.137 -0.989 1
1 1360 . 17 1 1 A 112 112 SER H H 634 8.591 8.645 -0.054 1
1 1361 . 17 1 1 A 112 112 SER HA H 634 4.920 4.694 0.226 1
1 1364 . 17 1 1 A 112 112 SER CA C 634 53.905 57.070 -3.165 1
1 1365 . 17 1 1 A 112 112 SER CB C 634 64.651 62.693 1.958 1
1 1366 . 17 1 1 A 112 112 SER N N 634 119.276 125.939 -6.663 1
1 1367 . 17 1 1 A 113 113 VAL H H 635 8.503 8.265 0.238 1
1 1368 . 17 1 1 A 113 113 VAL HA H 635 4.522 4.258 0.264 1
1 1376 . 17 1 1 A 113 113 VAL CA C 635 59.398 61.074 -1.676 1
1 1377 . 17 1 1 A 113 113 VAL CB C 635 32.548 33.734 -1.186 1
1 1380 . 17 1 1 A 113 113 VAL N N 635 118.886 125.055 -6.169 1
1 1381 . 17 1 1 A 114 114 SER H H 636 8.263 8.464 -0.201 1
1 1382 . 17 1 1 A 114 114 SER HA H 636 3.940 4.286 -0.346 1
1 1385 . 17 1 1 A 114 114 SER CA C 636 61.597 60.944 0.653 1
1 1386 . 17 1 1 A 114 114 SER CB C 636 63.321 62.761 0.560 1
1 1387 . 17 1 1 A 114 114 SER N N 636 112.710 116.703 -3.993 1
1 1388 . 17 1 1 A 115 115 SER H H 637 7.269 8.003 -0.734 1
1 1389 . 17 1 1 A 115 115 SER HA H 637 4.956 4.905 0.051 1
1 1392 . 17 1 1 A 115 115 SER CA C 637 55.674 55.865 -0.191 1
1 1393 . 17 1 1 A 115 115 SER CB C 637 64.074 65.718 -1.644 1
1 1394 . 17 1 1 A 115 115 SER N N 637 114.537 114.519 0.018 1
1 1395 . 17 1 1 A 116 116 PRO HA H 638 4.186 4.408 -0.222 1
1 1402 . 17 1 1 A 116 116 PRO CA C 638 65.021 64.703 0.318 1
1 1403 . 17 1 1 A 116 116 PRO CB C 638 31.908 31.973 -0.065 1
1 1406 . 17 1 1 A 117 117 ASP H H 639 8.161 8.329 -0.168 1
1 1407 . 17 1 1 A 117 117 ASP HA H 639 4.359 4.369 -0.010 1
1 1410 . 17 1 1 A 117 117 ASP CA C 639 55.928 57.023 -1.095 1
1 1411 . 17 1 1 A 117 117 ASP CB C 639 40.088 40.165 -0.077 1
1 1412 . 17 1 1 A 117 117 ASP N N 639 116.310 117.250 -0.940 1
1 1413 . 17 1 1 A 118 118 ALA H H 640 7.596 7.934 -0.338 1
1 1414 . 17 1 1 A 118 118 ALA HA H 640 4.225 4.117 0.108 1
1 1418 . 17 1 1 A 118 118 ALA CA C 640 52.964 54.971 -2.007 1
1 1419 . 17 1 1 A 118 118 ALA CB C 640 18.334 18.523 -0.189 1
1 1420 . 17 1 1 A 118 118 ALA N N 640 121.066 123.084 -2.018 1
1 1421 . 17 1 1 A 119 119 VAL H H 641 7.280 7.664 -0.384 1
1 1422 . 17 1 1 A 119 119 VAL HA H 641 3.221 3.470 -0.249 1
1 1430 . 17 1 1 A 119 119 VAL CA C 641 66.608 67.138 -0.530 1
1 1431 . 17 1 1 A 119 119 VAL CB C 641 31.436 31.617 -0.181 1
1 1434 . 17 1 1 A 119 119 VAL N N 641 120.886 119.303 1.583 1
1 1435 . 17 1 1 A 120 120 THR H H 642 7.475 7.947 -0.472 1
1 1436 . 17 1 1 A 120 120 THR HA H 642 3.840 3.973 -0.133 1
1 1441 . 17 1 1 A 120 120 THR CA C 642 65.297 65.663 -0.366 1
1 1442 . 17 1 1 A 120 120 THR CB C 642 68.042 68.319 -0.277 1
1 1444 . 17 1 1 A 120 120 THR N N 642 112.821 115.516 -2.695 1
1 1445 . 17 1 1 A 121 121 THR H H 643 7.328 8.082 -0.754 1
1 1446 . 17 1 1 A 121 121 THR HA H 643 3.477 3.699 -0.222 1
1 1451 . 17 1 1 A 121 121 THR CA C 643 65.341 66.472 -1.131 1
1 1452 . 17 1 1 A 121 121 THR CB C 643 68.196 68.573 -0.377 1
1 1454 . 17 1 1 A 121 121 THR N N 643 119.194 117.746 1.448 1
1 1455 . 17 1 1 A 122 122 TYR H H 644 8.766 8.544 0.222 1
1 1456 . 17 1 1 A 122 122 TYR HA H 644 3.764 4.080 -0.316 1
1 1463 . 17 1 1 A 122 122 TYR CA C 644 62.340 62.074 0.266 1
1 1464 . 17 1 1 A 122 122 TYR CB C 644 39.106 38.624 0.482 1
1 1467 . 17 1 1 A 122 122 TYR N N 644 122.838 120.586 2.252 1
1 1468 . 17 1 1 A 123 123 ASN H H 645 8.290 8.528 -0.238 1
1 1469 . 17 1 1 A 123 123 ASN HA H 645 4.299 4.498 -0.199 1
1 1474 . 17 1 1 A 123 123 ASN CA C 645 55.018 55.982 -0.964 1
1 1475 . 17 1 1 A 123 123 ASN CB C 645 36.967 38.007 -1.040 1
1 1476 . 17 1 1 A 123 123 ASN N N 645 116.356 117.726 -1.370 1
1 1478 . 17 1 1 A 124 124 GLY H H 646 7.768 8.173 -0.405 1
1 1479 . 17 1 1 A 124 124 GLY HA2 H 646 3.639 3.445 0.194 1
1 1480 . 17 1 1 A 124 124 GLY HA3 H 646 3.707 3.571 0.136 1
1 1481 . 17 1 1 A 124 124 GLY CA C 646 46.521 47.148 -0.627 1
1 1482 . 17 1 1 A 124 124 GLY N N 646 108.260 108.536 -0.276 1
1 1483 . 17 1 1 A 125 125 TYR H H 647 7.386 7.246 0.140 1
1 1484 . 17 1 1 A 125 125 TYR HA H 647 4.608 4.602 0.006 1
1 1491 . 17 1 1 A 125 125 TYR CA C 647 57.204 59.828 -2.624 1
1 1492 . 17 1 1 A 125 125 TYR CB C 647 37.557 37.207 0.350 1
1 1495 . 17 1 1 A 125 125 TYR N N 647 120.587 121.640 -1.053 1
1 1496 . 17 1 1 A 126 126 LEU H H 648 7.802 7.426 0.376 1
1 1497 . 17 1 1 A 126 126 LEU HA H 648 3.801 4.008 -0.207 1
1 1507 . 17 1 1 A 126 126 LEU CA C 648 56.663 57.545 -0.882 1
1 1508 . 17 1 1 A 126 126 LEU CB C 648 42.298 42.000 0.298 1
1 1512 . 17 1 1 A 126 126 LEU N N 648 119.234 120.535 -1.301 1
1 1513 . 17 1 1 A 127 127 THR H H 649 7.473 7.788 -0.315 1
1 1514 . 17 1 1 A 127 127 THR HA H 649 4.238 3.956 0.282 1
1 1519 . 17 1 1 A 127 127 THR CA C 649 61.868 63.185 -1.317 1
1 1520 . 17 1 1 A 127 127 THR CB C 649 69.451 67.568 1.883 1
1 1522 . 17 1 1 A 127 127 THR N N 649 108.633 113.612 -4.979 1
1 1523 . 17 1 1 A 128 128 SER H H 650 7.696 8.625 -0.929 1
1 1524 . 17 1 1 A 128 128 SER HA H 650 4.439 4.241 0.198 1
1 1527 . 17 1 1 A 128 128 SER CA C 650 58.451 58.923 -0.472 1
1 1528 . 17 1 1 A 128 128 SER CB C 650 63.763 60.759 3.004 1
1 1529 . 17 1 1 A 128 128 SER N N 650 117.667 115.081 2.586 1
1 1 . 18 1 1 A 2 2 SER HA H -3 4.607 5.140 -0.533 1
1 4 . 18 1 1 A 2 2 SER C C -3 174.489 174.036 0.453 1
1 5 . 18 1 1 A 2 2 SER CA C -3 56.994 57.020 -0.026 1
1 6 . 18 1 1 A 2 2 SER CB C -3 64.641 66.680 -2.039 1
1 7 . 18 1 1 A 2 2 SER N N -3 115.970 116.415 -0.445 1
1 8 . 18 1 1 A 3 3 HIS H H -2 8.138 8.775 -0.637 1
1 9 . 18 1 1 A 3 3 HIS HA H -2 4.558 4.415 0.143 1
1 13 . 18 1 1 A 3 3 HIS C C -2 176.502 173.800 2.702 1
1 14 . 18 1 1 A 3 3 HIS CA C -2 56.164 58.068 -1.904 1
1 15 . 18 1 1 A 3 3 HIS CB C -2 30.643 28.453 2.190 1
1 17 . 18 1 1 A 3 3 HIS N N -2 122.640 117.697 4.943 1
1 39 . 18 1 1 A 6 6 THR H H 528 7.755 8.657 -0.902 1
1 40 . 18 1 1 A 6 6 THR HA H 528 5.155 4.550 0.605 1
1 45 . 18 1 1 A 6 6 THR C C 528 174.544 174.272 0.272 1
1 46 . 18 1 1 A 6 6 THR CA C 528 60.657 62.894 -2.237 1
1 47 . 18 1 1 A 6 6 THR CB C 528 68.218 69.620 -1.402 1
1 49 . 18 1 1 A 6 6 THR N N 528 118.293 116.228 2.065 1
1 50 . 18 1 1 A 7 7 VAL H H 529 8.966 8.708 0.258 1
1 51 . 18 1 1 A 7 7 VAL HA H 529 4.240 4.843 -0.603 1
1 59 . 18 1 1 A 7 7 VAL C C 529 174.012 174.440 -0.428 1
1 60 . 18 1 1 A 7 7 VAL CA C 529 58.309 58.882 -0.573 1
1 61 . 18 1 1 A 7 7 VAL CB C 529 35.661 35.743 -0.082 1
1 64 . 18 1 1 A 7 7 VAL N N 529 121.381 118.656 2.725 1
1 65 . 18 1 1 A 8 8 SER H H 530 8.193 8.822 -0.629 1
1 66 . 18 1 1 A 8 8 SER HA H 530 4.825 5.060 -0.235 1
1 69 . 18 1 1 A 8 8 SER C C 530 172.908 173.783 -0.875 1
1 70 . 18 1 1 A 8 8 SER CA C 530 55.790 56.288 -0.498 1
1 71 . 18 1 1 A 8 8 SER CB C 530 62.800 63.344 -0.544 1
1 72 . 18 1 1 A 8 8 SER N N 530 113.044 116.052 -3.008 1
1 73 . 18 1 1 A 9 9 TRP H H 531 7.595 8.746 -1.151 1
1 74 . 18 1 1 A 9 9 TRP HA H 531 5.353 4.960 0.393 1
1 83 . 18 1 1 A 9 9 TRP C C 531 177.031 176.625 0.406 1
1 84 . 18 1 1 A 9 9 TRP CA C 531 51.902 57.082 -5.180 1
1 85 . 18 1 1 A 9 9 TRP CB C 531 32.848 31.705 1.143 1
1 91 . 18 1 1 A 9 9 TRP N N 531 124.627 126.156 -1.529 1
1 93 . 18 1 1 A 10 10 ASN H H 532 9.312 8.996 0.316 1
1 94 . 18 1 1 A 10 10 ASN HA H 532 4.601 4.866 -0.265 1
1 99 . 18 1 1 A 10 10 ASN C C 532 175.214 176.993 -1.779 1
1 100 . 18 1 1 A 10 10 ASN CA C 532 51.428 53.304 -1.876 1
1 101 . 18 1 1 A 10 10 ASN CB C 532 38.140 39.398 -1.258 1
1 102 . 18 1 1 A 10 10 ASN N N 532 121.842 119.688 2.154 1
1 104 . 18 1 1 A 11 11 LEU H H 533 8.503 8.514 -0.011 1
1 105 . 18 1 1 A 11 11 LEU HA H 533 4.086 4.029 0.057 1
1 115 . 18 1 1 A 11 11 LEU C C 533 178.309 178.477 -0.168 1
1 116 . 18 1 1 A 11 11 LEU CA C 533 58.491 58.636 -0.145 1
1 117 . 18 1 1 A 11 11 LEU CB C 533 41.525 41.811 -0.286 1
1 121 . 18 1 1 A 11 11 LEU N N 533 119.723 126.575 -6.852 1
1 122 . 18 1 1 A 12 12 ARG H H 534 8.057 8.234 -0.177 1
1 123 . 18 1 1 A 12 12 ARG HA H 534 3.840 4.112 -0.272 1
1 130 . 18 1 1 A 12 12 ARG C C 534 179.597 179.219 0.378 1
1 131 . 18 1 1 A 12 12 ARG CA C 534 59.873 59.553 0.320 1
1 132 . 18 1 1 A 12 12 ARG CB C 534 29.076 29.627 -0.551 1
1 135 . 18 1 1 A 12 12 ARG N N 534 117.711 118.825 -1.114 1
1 136 . 18 1 1 A 13 13 GLU H H 535 8.342 7.800 0.542 1
1 137 . 18 1 1 A 13 13 GLU HA H 535 3.724 4.018 -0.294 1
1 142 . 18 1 1 A 13 13 GLU C C 535 179.948 179.059 0.889 1
1 143 . 18 1 1 A 13 13 GLU CA C 535 58.753 59.334 -0.581 1
1 144 . 18 1 1 A 13 13 GLU CB C 535 29.402 29.824 -0.422 1
1 146 . 18 1 1 A 13 13 GLU N N 535 121.501 120.354 1.147 1
1 147 . 18 1 1 A 14 14 MET H H 536 8.684 8.076 0.608 1
1 148 . 18 1 1 A 14 14 MET HA H 536 3.945 4.453 -0.508 1
1 156 . 18 1 1 A 14 14 MET C C 536 177.364 178.641 -1.277 1
1 157 . 18 1 1 A 14 14 MET CA C 536 60.550 57.603 2.947 1
1 158 . 18 1 1 A 14 14 MET CB C 536 34.412 32.350 2.062 1
1 161 . 18 1 1 A 14 14 MET N N 536 120.565 120.133 0.432 1
1 162 . 18 1 1 A 15 15 LEU H H 537 8.731 8.377 0.354 1
1 163 . 18 1 1 A 15 15 LEU HA H 537 3.970 4.088 -0.118 1
1 173 . 18 1 1 A 15 15 LEU C C 537 178.544 178.279 0.265 1
1 174 . 18 1 1 A 15 15 LEU CA C 537 57.723 58.621 -0.898 1
1 175 . 18 1 1 A 15 15 LEU CB C 537 41.396 42.167 -0.771 1
1 179 . 18 1 1 A 15 15 LEU N N 537 118.710 121.433 -2.723 1
1 180 . 18 1 1 A 16 16 ALA H H 538 7.816 8.206 -0.390 1
1 181 . 18 1 1 A 16 16 ALA HA H 538 4.026 4.091 -0.065 1
1 185 . 18 1 1 A 16 16 ALA C C 538 180.374 179.237 1.137 1
1 186 . 18 1 1 A 16 16 ALA CA C 538 54.734 55.182 -0.448 1
1 187 . 18 1 1 A 16 16 ALA CB C 538 17.670 18.342 -0.672 1
1 188 . 18 1 1 A 16 16 ALA N N 538 120.155 120.751 -0.596 1
1 189 . 18 1 1 A 17 17 HIS H H 539 7.715 8.394 -0.679 1
1 190 . 18 1 1 A 17 17 HIS HA H 539 4.180 4.146 0.034 1
1 194 . 18 1 1 A 17 17 HIS C C 539 179.167 176.449 2.718 1
1 195 . 18 1 1 A 17 17 HIS CA C 539 59.392 59.736 -0.344 1
1 196 . 18 1 1 A 17 17 HIS CB C 539 29.094 29.668 -0.574 1
1 198 . 18 1 1 A 17 17 HIS N N 539 117.446 117.797 -0.351 1
1 199 . 18 1 1 A 18 18 ALA H H 540 8.995 8.256 0.739 1
1 200 . 18 1 1 A 18 18 ALA HA H 540 3.656 3.839 -0.183 1
1 204 . 18 1 1 A 18 18 ALA C C 540 180.803 179.158 1.645 1
1 205 . 18 1 1 A 18 18 ALA CA C 540 55.762 55.315 0.447 1
1 206 . 18 1 1 A 18 18 ALA CB C 540 18.380 18.294 0.086 1
1 207 . 18 1 1 A 18 18 ALA N N 540 124.222 121.022 3.200 1
1 208 . 18 1 1 A 19 19 GLU H H 541 8.840 8.662 0.178 1
1 209 . 18 1 1 A 19 19 GLU HA H 541 3.695 3.918 -0.223 1
1 214 . 18 1 1 A 19 19 GLU C C 541 178.479 178.926 -0.447 1
1 215 . 18 1 1 A 19 19 GLU CA C 541 59.695 59.886 -0.191 1
1 216 . 18 1 1 A 19 19 GLU CB C 541 29.740 29.284 0.456 1
1 218 . 18 1 1 A 19 19 GLU N N 541 121.086 117.945 3.141 1
1 219 . 18 1 1 A 20 20 GLU H H 542 7.649 8.341 -0.692 1
1 220 . 18 1 1 A 20 20 GLU HA H 542 3.980 4.112 -0.132 1
1 225 . 18 1 1 A 20 20 GLU C C 542 178.212 178.291 -0.079 1
1 226 . 18 1 1 A 20 20 GLU CA C 542 58.593 59.041 -0.448 1
1 227 . 18 1 1 A 20 20 GLU CB C 542 30.293 29.331 0.962 1
1 229 . 18 1 1 A 20 20 GLU N N 542 117.027 118.981 -1.954 1
1 230 . 18 1 1 A 21 21 THR H H 543 7.588 7.462 0.126 1
1 231 . 18 1 1 A 21 21 THR HA H 543 4.105 4.266 -0.161 1
1 236 . 18 1 1 A 21 21 THR C C 543 175.320 174.518 0.802 1
1 237 . 18 1 1 A 21 21 THR CA C 543 62.110 61.942 0.168 1
1 238 . 18 1 1 A 21 21 THR CB C 543 70.747 69.339 1.408 1
1 240 . 18 1 1 A 21 21 THR N N 543 105.058 108.155 -3.097 1
1 241 . 18 1 1 A 22 22 ARG H H 544 7.678 7.819 -0.141 1
1 242 . 18 1 1 A 22 22 ARG HA H 544 3.925 3.819 0.106 1
1 249 . 18 1 1 A 22 22 ARG C C 544 175.207 175.014 0.193 1
1 250 . 18 1 1 A 22 22 ARG CA C 544 55.996 57.392 -1.396 1
1 251 . 18 1 1 A 22 22 ARG CB C 544 24.959 27.140 -2.181 1
1 254 . 18 1 1 A 22 22 ARG N N 544 116.694 117.221 -0.527 1
1 255 . 18 1 1 A 23 23 LYS H H 545 6.931 7.502 -0.571 1
1 256 . 18 1 1 A 23 23 LYS HA H 545 4.169 4.276 -0.107 1
1 265 . 18 1 1 A 23 23 LYS C C 545 174.855 176.137 -1.282 1
1 266 . 18 1 1 A 23 23 LYS CA C 545 56.339 56.356 -0.017 1
1 267 . 18 1 1 A 23 23 LYS CB C 545 36.104 33.323 2.781 1
1 271 . 18 1 1 A 23 23 LYS N N 545 117.744 118.402 -0.658 1
1 272 . 18 1 1 A 24 24 LEU H H 546 7.898 8.331 -0.433 1
1 273 . 18 1 1 A 24 24 LEU HA H 546 4.487 4.427 0.060 1
1 283 . 18 1 1 A 24 24 LEU C C 546 175.730 175.402 0.328 1
1 284 . 18 1 1 A 24 24 LEU CA C 546 54.171 55.442 -1.271 1
1 285 . 18 1 1 A 24 24 LEU CB C 546 43.228 42.859 0.369 1
1 289 . 18 1 1 A 24 24 LEU N N 546 122.692 124.134 -1.442 1
1 290 . 18 1 1 A 25 25 MET H H 547 8.767 8.876 -0.109 1
1 291 . 18 1 1 A 25 25 MET HA H 547 5.728 5.252 0.476 1
1 299 . 18 1 1 A 25 25 MET CA C 547 51.900 52.317 -0.417 1
1 300 . 18 1 1 A 25 25 MET CB C 547 34.876 34.520 0.356 1
1 303 . 18 1 1 A 25 25 MET N N 547 126.346 125.854 0.492 1
1 304 . 18 1 1 A 26 26 PRO HA H 548 5.994 5.316 0.678 1
1 311 . 18 1 1 A 26 26 PRO C C 548 176.241 176.452 -0.211 1
1 312 . 18 1 1 A 26 26 PRO CA C 548 61.285 62.958 -1.673 1
1 313 . 18 1 1 A 26 26 PRO CB C 548 32.260 32.669 -0.409 1
1 316 . 18 1 1 A 27 27 ILE H H 549 9.054 8.867 0.187 1
1 317 . 18 1 1 A 27 27 ILE HA H 549 4.284 4.737 -0.453 1
1 327 . 18 1 1 A 27 27 ILE C C 549 173.407 175.087 -1.680 1
1 328 . 18 1 1 A 27 27 ILE CA C 549 57.503 59.393 -1.890 1
1 329 . 18 1 1 A 27 27 ILE CB C 549 41.581 42.052 -0.471 1
1 333 . 18 1 1 A 27 27 ILE N N 549 126.281 121.832 4.449 1
1 334 . 18 1 1 A 28 28 CYS H H 550 8.459 8.604 -0.145 1
1 335 . 18 1 1 A 28 28 CYS HA H 550 3.704 3.754 -0.050 1
1 339 . 18 1 1 A 28 28 CYS C C 550 174.180 176.037 -1.857 1
1 340 . 18 1 1 A 28 28 CYS CA C 550 56.873 58.874 -2.001 1
1 341 . 18 1 1 A 28 28 CYS CB C 550 27.537 27.813 -0.276 1
1 342 . 18 1 1 A 28 28 CYS N N 550 125.844 127.363 -1.519 1
1 343 . 18 1 1 A 29 29 MET H H 551 8.782 8.808 -0.026 1
1 344 . 18 1 1 A 29 29 MET HA H 551 4.637 4.308 0.329 1
1 352 . 18 1 1 A 29 29 MET C C 551 174.613 177.521 -2.908 1
1 353 . 18 1 1 A 29 29 MET CA C 551 56.871 57.359 -0.488 1
1 354 . 18 1 1 A 29 29 MET CB C 551 34.394 32.259 2.135 1
1 357 . 18 1 1 A 29 29 MET N N 551 127.467 126.188 1.279 1
1 358 . 18 1 1 A 30 30 ASP H H 552 7.308 7.795 -0.487 1
1 359 . 18 1 1 A 30 30 ASP HA H 552 4.562 4.297 0.265 1
1 362 . 18 1 1 A 30 30 ASP C C 552 175.386 176.157 -0.771 1
1 363 . 18 1 1 A 30 30 ASP CA C 552 54.371 55.763 -1.392 1
1 364 . 18 1 1 A 30 30 ASP CB C 552 41.751 40.450 1.301 1
1 365 . 18 1 1 A 30 30 ASP N N 552 117.209 120.593 -3.384 1
1 366 . 18 1 1 A 31 31 VAL H H 553 7.257 7.497 -0.240 1
1 367 . 18 1 1 A 31 31 VAL HA H 553 4.057 4.237 -0.180 1
1 375 . 18 1 1 A 31 31 VAL C C 553 175.729 176.022 -0.293 1
1 376 . 18 1 1 A 31 31 VAL CA C 553 61.834 60.651 1.183 1
1 377 . 18 1 1 A 31 31 VAL CB C 553 30.034 32.944 -2.910 1
1 380 . 18 1 1 A 31 31 VAL N N 553 120.645 114.744 5.901 1
1 381 . 18 1 1 A 32 32 ARG H H 554 8.412 8.668 -0.256 1
1 382 . 18 1 1 A 32 32 ARG HA H 554 3.794 4.014 -0.220 1
1 389 . 18 1 1 A 32 32 ARG C C 554 178.819 178.463 0.356 1
1 390 . 18 1 1 A 32 32 ARG CA C 554 59.725 59.786 -0.061 1
1 391 . 18 1 1 A 32 32 ARG CB C 554 29.537 29.860 -0.323 1
1 394 . 18 1 1 A 32 32 ARG N N 554 130.554 126.993 3.561 1
1 395 . 18 1 1 A 33 33 ALA H H 555 9.094 8.025 1.069 1
1 396 . 18 1 1 A 33 33 ALA HA H 555 4.081 4.061 0.020 1
1 400 . 18 1 1 A 33 33 ALA C C 555 180.716 180.423 0.293 1
1 401 . 18 1 1 A 33 33 ALA CA C 555 55.002 55.203 -0.201 1
1 402 . 18 1 1 A 33 33 ALA CB C 555 18.462 18.568 -0.106 1
1 403 . 18 1 1 A 33 33 ALA N N 555 119.862 121.003 -1.141 1
1 404 . 18 1 1 A 34 34 ILE H H 556 6.620 7.871 -1.251 1
1 405 . 18 1 1 A 34 34 ILE HA H 556 3.745 3.790 -0.045 1
1 415 . 18 1 1 A 34 34 ILE C C 556 177.540 177.993 -0.453 1
1 416 . 18 1 1 A 34 34 ILE CA C 556 64.101 64.546 -0.445 1
1 417 . 18 1 1 A 34 34 ILE CB C 556 38.397 36.494 1.903 1
1 421 . 18 1 1 A 34 34 ILE N N 556 116.216 117.531 -1.315 1
1 422 . 18 1 1 A 35 35 MET H H 557 7.619 8.477 -0.858 1
1 423 . 18 1 1 A 35 35 MET HA H 557 4.249 4.155 0.094 1
1 431 . 18 1 1 A 35 35 MET C C 557 178.737 178.203 0.534 1
1 432 . 18 1 1 A 35 35 MET CA C 557 56.113 58.848 -2.735 1
1 433 . 18 1 1 A 35 35 MET CB C 557 29.490 31.867 -2.377 1
1 436 . 18 1 1 A 35 35 MET N N 557 118.017 119.100 -1.083 1
1 437 . 18 1 1 A 36 36 ALA H H 558 8.410 8.122 0.288 1
1 438 . 18 1 1 A 36 36 ALA HA H 558 4.084 4.075 0.009 1
1 442 . 18 1 1 A 36 36 ALA C C 558 180.632 179.692 0.940 1
1 443 . 18 1 1 A 36 36 ALA CA C 558 55.024 55.014 0.010 1
1 444 . 18 1 1 A 36 36 ALA CB C 558 17.698 18.297 -0.599 1
1 445 . 18 1 1 A 36 36 ALA N N 558 121.592 121.612 -0.020 1
1 446 . 18 1 1 A 37 37 THR H H 559 7.294 7.726 -0.432 1
1 447 . 18 1 1 A 37 37 THR HA H 559 3.858 3.910 -0.052 1
1 452 . 18 1 1 A 37 37 THR C C 559 176.419 176.895 -0.476 1
1 453 . 18 1 1 A 37 37 THR CA C 559 66.590 67.419 -0.829 1
1 454 . 18 1 1 A 37 37 THR CB C 559 68.001 68.916 -0.915 1
1 456 . 18 1 1 A 37 37 THR N N 559 115.835 113.947 1.888 1
1 457 . 18 1 1 A 38 38 ILE H H 560 8.109 8.178 -0.069 1
1 458 . 18 1 1 A 38 38 ILE HA H 560 3.698 3.757 -0.059 1
1 468 . 18 1 1 A 38 38 ILE C C 560 176.934 178.957 -2.023 1
1 469 . 18 1 1 A 38 38 ILE CA C 560 65.952 65.681 0.271 1
1 470 . 18 1 1 A 38 38 ILE CB C 560 38.252 38.001 0.251 1
1 474 . 18 1 1 A 38 38 ILE N N 560 121.886 121.352 0.534 1
1 475 . 18 1 1 A 39 39 GLN H H 561 8.425 8.374 0.051 1
1 476 . 18 1 1 A 39 39 GLN HA H 561 3.809 4.441 -0.632 1
1 483 . 18 1 1 A 39 39 GLN C C 561 177.126 178.954 -1.828 1
1 484 . 18 1 1 A 39 39 GLN CA C 561 58.751 57.878 0.873 1
1 485 . 18 1 1 A 39 39 GLN CB C 561 29.255 29.019 0.236 1
1 487 . 18 1 1 A 39 39 GLN N N 561 116.211 118.098 -1.887 1
1 489 . 18 1 1 A 40 40 ARG H H 562 7.334 8.188 -0.854 1
1 490 . 18 1 1 A 40 40 ARG HA H 562 4.092 4.106 -0.014 1
1 497 . 18 1 1 A 40 40 ARG C C 562 177.186 178.696 -1.510 1
1 498 . 18 1 1 A 40 40 ARG CA C 562 57.837 59.382 -1.545 1
1 499 . 18 1 1 A 40 40 ARG CB C 562 30.668 30.091 0.577 1
1 502 . 18 1 1 A 40 40 ARG N N 562 116.464 120.351 -3.887 1
1 503 . 18 1 1 A 41 41 LYS H H 563 7.802 7.639 0.163 1
1 504 . 18 1 1 A 41 41 LYS HA H 563 3.926 4.077 -0.151 1
1 513 . 18 1 1 A 41 41 LYS C C 563 176.735 176.985 -0.250 1
1 514 . 18 1 1 A 41 41 LYS CA C 563 57.866 58.857 -0.991 1
1 515 . 18 1 1 A 41 41 LYS CB C 563 33.314 32.898 0.416 1
1 519 . 18 1 1 A 41 41 LYS N N 563 118.658 119.483 -0.825 1
1 520 . 18 1 1 A 42 42 TYR H H 564 8.208 8.719 -0.511 1
1 521 . 18 1 1 A 42 42 TYR HA H 564 4.786 4.970 -0.184 1
1 528 . 18 1 1 A 42 42 TYR C C 564 174.346 175.728 -1.382 1
1 529 . 18 1 1 A 42 42 TYR CA C 564 55.497 56.843 -1.346 1
1 530 . 18 1 1 A 42 42 TYR CB C 564 36.075 36.681 -0.606 1
1 533 . 18 1 1 A 42 42 TYR N N 564 121.157 117.412 3.745 1
1 534 . 18 1 1 A 43 43 LYS H H 565 7.212 7.988 -0.776 1
1 535 . 18 1 1 A 43 43 LYS HA H 565 4.081 4.142 -0.061 1
1 544 . 18 1 1 A 43 43 LYS C C 565 179.082 178.909 0.173 1
1 545 . 18 1 1 A 43 43 LYS CA C 565 58.075 59.525 -1.450 1
1 546 . 18 1 1 A 43 43 LYS CB C 565 32.157 32.385 -0.228 1
1 550 . 18 1 1 A 43 43 LYS N N 565 119.412 124.691 -5.279 1
1 551 . 18 1 1 A 44 44 GLY H H 566 9.179 8.125 1.054 1
1 552 . 18 1 1 A 44 44 GLY HA2 H 566 3.607 3.839 -0.232 1
1 553 . 18 1 1 A 44 44 GLY HA3 H 566 4.252 3.907 0.345 1
1 554 . 18 1 1 A 44 44 GLY C C 566 173.990 174.511 -0.521 1
1 555 . 18 1 1 A 44 44 GLY CA C 566 44.860 46.828 -1.968 1
1 556 . 18 1 1 A 44 44 GLY N N 566 114.958 106.727 8.231 1
1 557 . 18 1 1 A 45 45 ILE H H 567 7.604 7.037 0.567 1
1 558 . 18 1 1 A 45 45 ILE HA H 567 2.533 3.682 -1.149 1
1 568 . 18 1 1 A 45 45 ILE C C 567 172.893 175.402 -2.509 1
1 569 . 18 1 1 A 45 45 ILE CA C 567 61.754 61.516 0.238 1
1 570 . 18 1 1 A 45 45 ILE CB C 567 38.302 38.400 -0.098 1
1 574 . 18 1 1 A 45 45 ILE N N 567 122.496 121.613 0.883 1
1 575 . 18 1 1 A 46 46 LYS H H 568 7.733 8.358 -0.625 1
1 576 . 18 1 1 A 46 46 LYS HA H 568 4.307 4.563 -0.256 1
1 585 . 18 1 1 A 46 46 LYS C C 568 174.772 176.070 -1.298 1
1 586 . 18 1 1 A 46 46 LYS CA C 568 54.069 55.393 -1.324 1
1 587 . 18 1 1 A 46 46 LYS CB C 568 31.741 33.566 -1.825 1
1 591 . 18 1 1 A 46 46 LYS N N 568 128.712 127.740 0.972 1
1 592 . 18 1 1 A 47 47 ILE H H 569 8.081 8.402 -0.321 1
1 593 . 18 1 1 A 47 47 ILE HA H 569 3.166 3.890 -0.724 1
1 603 . 18 1 1 A 47 47 ILE CA C 569 61.564 61.168 0.396 1
1 604 . 18 1 1 A 47 47 ILE CB C 569 36.718 37.636 -0.918 1
1 608 . 18 1 1 A 47 47 ILE N N 569 124.424 123.869 0.555 1
1 609 . 18 1 1 A 48 48 GLN H H 570 6.700 8.722 -2.022 1
1 610 . 18 1 1 A 48 48 GLN HA H 570 4.205 4.789 -0.584 1
1 617 . 18 1 1 A 48 48 GLN CA C 570 53.129 53.987 -0.858 1
1 618 . 18 1 1 A 48 48 GLN CB C 570 31.211 31.856 -0.645 1
1 620 . 18 1 1 A 48 48 GLN N N 570 122.748 126.254 -3.506 1
1 622 . 18 1 1 A 49 49 GLU H H 571 8.218 8.607 -0.389 1
1 623 . 18 1 1 A 49 49 GLU HA H 571 3.727 4.433 -0.706 1
1 628 . 18 1 1 A 49 49 GLU CA C 571 57.976 57.752 0.224 1
1 629 . 18 1 1 A 49 49 GLU CB C 571 30.954 28.957 1.997 1
1 631 . 18 1 1 A 49 49 GLU N N 571 116.531 122.724 -6.193 1
1 632 . 18 1 1 A 50 50 GLY H H 572 8.967 8.140 0.827 1
1 633 . 18 1 1 A 50 50 GLY HA2 H 572 2.810 4.204 -1.394 1
1 634 . 18 1 1 A 50 50 GLY HA3 H 572 4.198 4.263 -0.065 1
1 635 . 18 1 1 A 50 50 GLY CA C 572 43.607 44.477 -0.870 1
1 636 . 18 1 1 A 50 50 GLY N N 572 111.469 111.097 0.372 1
1 637 . 18 1 1 A 51 51 ILE H H 573 8.410 8.793 -0.383 1
1 638 . 18 1 1 A 51 51 ILE HA H 573 4.916 4.498 0.418 1
1 648 . 18 1 1 A 51 51 ILE CA C 573 61.137 62.607 -1.470 1
1 649 . 18 1 1 A 51 51 ILE CB C 573 38.165 37.959 0.206 1
1 653 . 18 1 1 A 51 51 ILE N N 573 120.591 122.365 -1.774 1
1 654 . 18 1 1 A 52 52 VAL H H 574 8.900 9.011 -0.111 1
1 655 . 18 1 1 A 52 52 VAL HA H 574 4.073 4.728 -0.655 1
1 663 . 18 1 1 A 52 52 VAL CA C 574 62.516 61.798 0.718 1
1 664 . 18 1 1 A 52 52 VAL CB C 574 35.957 34.437 1.520 1
1 667 . 18 1 1 A 52 52 VAL N N 574 131.435 128.597 2.838 1
1 668 . 18 1 1 A 53 53 ASP H H 575 8.731 9.195 -0.464 1
1 669 . 18 1 1 A 53 53 ASP HA H 575 4.953 4.786 0.167 1
1 672 . 18 1 1 A 53 53 ASP CA C 575 52.137 53.465 -1.328 1
1 673 . 18 1 1 A 53 53 ASP CB C 575 40.659 40.241 0.418 1
1 674 . 18 1 1 A 53 53 ASP N N 575 126.463 128.572 -2.109 1
1 675 . 18 1 1 A 54 54 TYR H H 576 8.639 8.721 -0.082 1
1 676 . 18 1 1 A 54 54 TYR HA H 576 4.407 4.833 -0.426 1
1 683 . 18 1 1 A 54 54 TYR CA C 576 57.833 57.609 0.224 1
1 684 . 18 1 1 A 54 54 TYR CB C 576 38.634 40.104 -1.470 1
1 687 . 18 1 1 A 54 54 TYR N N 576 131.097 127.104 3.993 1
1 688 . 18 1 1 A 55 55 GLY H H 577 8.388 8.926 -0.538 1
1 689 . 18 1 1 A 55 55 GLY HA2 H 577 3.056 3.895 -0.839 1
1 690 . 18 1 1 A 55 55 GLY HA3 H 577 4.307 4.051 0.256 1
1 691 . 18 1 1 A 55 55 GLY CA C 577 46.347 45.936 0.411 1
1 692 . 18 1 1 A 55 55 GLY N N 577 115.719 116.264 -0.545 1
1 693 . 18 1 1 A 56 56 VAL H H 578 7.143 7.612 -0.469 1
1 694 . 18 1 1 A 56 56 VAL HA H 578 3.410 4.023 -0.613 1
1 702 . 18 1 1 A 56 56 VAL CA C 578 60.335 61.188 -0.853 1
1 703 . 18 1 1 A 56 56 VAL CB C 578 35.027 32.240 2.787 1
1 706 . 18 1 1 A 56 56 VAL N N 578 124.853 119.713 5.140 1
1 707 . 18 1 1 A 57 57 ARG H H 579 8.091 8.187 -0.096 1
1 708 . 18 1 1 A 57 57 ARG HA H 579 4.292 4.486 -0.194 1
1 715 . 18 1 1 A 57 57 ARG CA C 579 55.039 55.565 -0.526 1
1 716 . 18 1 1 A 57 57 ARG CB C 579 29.224 30.712 -1.488 1
1 719 . 18 1 1 A 57 57 ARG N N 579 124.754 126.352 -1.598 1
1 720 . 18 1 1 A 58 58 PHE H H 580 8.499 9.222 -0.723 1
1 721 . 18 1 1 A 58 58 PHE HA H 580 4.647 5.073 -0.426 1
1 729 . 18 1 1 A 58 58 PHE CA C 580 57.563 56.598 0.965 1
1 730 . 18 1 1 A 58 58 PHE CB C 580 42.026 41.123 0.903 1
1 734 . 18 1 1 A 58 58 PHE N N 580 124.105 124.580 -0.475 1
1 735 . 18 1 1 A 59 59 PHE H H 581 7.683 8.761 -1.078 1
1 736 . 18 1 1 A 59 59 PHE HA H 581 4.689 5.257 -0.568 1
1 743 . 18 1 1 A 59 59 PHE CA C 581 56.662 56.102 0.560 1
1 744 . 18 1 1 A 59 59 PHE CB C 581 41.024 40.594 0.430 1
1 747 . 18 1 1 A 59 59 PHE N N 581 119.707 122.869 -3.162 1
1 748 . 18 1 1 A 60 60 PHE H H 582 8.898 8.523 0.375 1
1 749 . 18 1 1 A 60 60 PHE HA H 582 5.563 4.997 0.566 1
1 757 . 18 1 1 A 60 60 PHE CA C 582 57.615 57.935 -0.320 1
1 758 . 18 1 1 A 60 60 PHE CB C 582 39.539 40.313 -0.774 1
1 762 . 18 1 1 A 60 60 PHE N N 582 127.157 126.315 0.842 1
1 763 . 18 1 1 A 61 61 TYR H H 583 8.441 8.908 -0.467 1
1 764 . 18 1 1 A 61 61 TYR HA H 583 5.301 5.357 -0.056 1
1 771 . 18 1 1 A 61 61 TYR CA C 583 54.556 55.547 -0.991 1
1 772 . 18 1 1 A 61 61 TYR CB C 583 41.444 41.242 0.202 1
1 775 . 18 1 1 A 61 61 TYR N N 583 119.072 118.931 0.141 1
1 776 . 18 1 1 A 62 62 THR H H 584 9.444 8.600 0.844 1
1 777 . 18 1 1 A 62 62 THR HA H 584 4.680 5.016 -0.336 1
1 782 . 18 1 1 A 62 62 THR CA C 584 59.784 60.193 -0.409 1
1 783 . 18 1 1 A 62 62 THR CB C 584 71.274 70.487 0.787 1
1 785 . 18 1 1 A 62 62 THR N N 584 113.469 112.990 0.479 1
1 786 . 18 1 1 A 63 63 SER H H 585 9.092 9.007 0.085 1
1 787 . 18 1 1 A 63 63 SER HA H 585 4.685 4.147 0.538 1
1 790 . 18 1 1 A 63 63 SER CA C 585 59.665 60.846 -1.181 1
1 791 . 18 1 1 A 63 63 SER CB C 585 62.835 62.959 -0.124 1
1 792 . 18 1 1 A 63 63 SER N N 585 114.155 119.298 -5.143 1
1 793 . 18 1 1 A 64 64 LYS H H 586 7.484 7.625 -0.141 1
1 794 . 18 1 1 A 64 64 LYS HA H 586 4.074 4.276 -0.202 1
1 803 . 18 1 1 A 64 64 LYS CA C 586 55.960 57.363 -1.403 1
1 804 . 18 1 1 A 64 64 LYS CB C 586 32.662 32.603 0.059 1
1 808 . 18 1 1 A 64 64 LYS N N 586 118.230 119.200 -0.970 1
1 809 . 18 1 1 A 65 65 GLU H H 587 7.194 7.682 -0.488 1
1 810 . 18 1 1 A 65 65 GLU HA H 587 4.584 4.543 0.041 1
1 815 . 18 1 1 A 65 65 GLU CA C 587 53.443 54.570 -1.127 1
1 816 . 18 1 1 A 65 65 GLU CB C 587 30.381 30.760 -0.379 1
1 818 . 18 1 1 A 65 65 GLU N N 587 124.837 122.406 2.431 1
1 819 . 18 1 1 A 66 66 PRO HA H 588 4.506 4.535 -0.029 1
1 826 . 18 1 1 A 66 66 PRO CA C 588 62.620 63.187 -0.567 1
1 827 . 18 1 1 A 66 66 PRO CB C 588 32.368 32.542 -0.174 1
1 830 . 18 1 1 A 67 67 VAL H H 589 8.545 8.333 0.212 1
1 831 . 18 1 1 A 67 67 VAL HA H 589 3.136 3.328 -0.192 1
1 839 . 18 1 1 A 67 67 VAL CA C 589 66.588 66.072 0.516 1
1 840 . 18 1 1 A 67 67 VAL CB C 589 30.979 31.385 -0.406 1
1 843 . 18 1 1 A 67 67 VAL N N 589 123.156 123.120 0.036 1
1 844 . 18 1 1 A 68 68 ALA H H 590 8.700 8.407 0.293 1
1 845 . 18 1 1 A 68 68 ALA HA H 590 3.953 3.947 0.006 1
1 849 . 18 1 1 A 68 68 ALA CA C 590 54.867 55.595 -0.728 1
1 850 . 18 1 1 A 68 68 ALA CB C 590 18.134 18.517 -0.383 1
1 851 . 18 1 1 A 68 68 ALA N N 590 118.895 122.818 -3.923 1
1 852 . 18 1 1 A 69 69 SER H H 591 6.961 7.963 -1.002 1
1 853 . 18 1 1 A 69 69 SER HA H 591 4.195 4.211 -0.016 1
1 856 . 18 1 1 A 69 69 SER CA C 591 60.029 61.529 -1.500 1
1 857 . 18 1 1 A 69 69 SER CB C 591 62.045 62.995 -0.950 1
1 858 . 18 1 1 A 69 69 SER N N 591 111.445 112.521 -1.076 1
1 859 . 18 1 1 A 70 70 ILE H H 592 7.386 8.008 -0.622 1
1 860 . 18 1 1 A 70 70 ILE HA H 592 3.361 3.769 -0.408 1
1 870 . 18 1 1 A 70 70 ILE CA C 592 65.332 64.516 0.816 1
1 871 . 18 1 1 A 70 70 ILE CB C 592 38.427 37.579 0.848 1
1 875 . 18 1 1 A 70 70 ILE N N 592 122.407 121.387 1.020 1
1 876 . 18 1 1 A 71 71 ILE H H 593 8.332 8.249 0.083 1
1 877 . 18 1 1 A 71 71 ILE HA H 593 3.256 3.517 -0.261 1
1 887 . 18 1 1 A 71 71 ILE CA C 593 65.023 64.862 0.161 1
1 888 . 18 1 1 A 71 71 ILE CB C 593 36.662 37.467 -0.805 1
1 892 . 18 1 1 A 71 71 ILE N N 593 117.779 121.761 -3.982 1
1 893 . 18 1 1 A 72 72 THR H H 594 7.834 8.318 -0.484 1
1 894 . 18 1 1 A 72 72 THR HA H 594 3.845 3.873 -0.028 1
1 899 . 18 1 1 A 72 72 THR CA C 594 67.376 66.901 0.475 1
1 900 . 18 1 1 A 72 72 THR CB C 594 68.291 68.445 -0.154 1
1 902 . 18 1 1 A 72 72 THR N N 594 117.154 116.896 0.258 1
1 903 . 18 1 1 A 73 73 LYS H H 595 7.803 7.976 -0.173 1
1 904 . 18 1 1 A 73 73 LYS HA H 595 3.936 4.007 -0.071 1
1 913 . 18 1 1 A 73 73 LYS CA C 595 59.853 59.456 0.397 1
1 914 . 18 1 1 A 73 73 LYS CB C 595 32.531 32.459 0.072 1
1 918 . 18 1 1 A 73 73 LYS N N 595 122.657 120.417 2.240 1
1 919 . 18 1 1 A 74 74 LEU H H 596 8.088 7.926 0.162 1
1 920 . 18 1 1 A 74 74 LEU HA H 596 3.681 3.803 -0.122 1
1 930 . 18 1 1 A 74 74 LEU CA C 596 57.217 57.853 -0.636 1
1 931 . 18 1 1 A 74 74 LEU CB C 596 41.122 41.307 -0.185 1
1 935 . 18 1 1 A 74 74 LEU N N 596 119.593 120.097 -0.504 1
1 936 . 18 1 1 A 75 75 ASN H H 597 8.949 8.674 0.275 1
1 937 . 18 1 1 A 75 75 ASN HA H 597 4.471 4.340 0.131 1
1 942 . 18 1 1 A 75 75 ASN CA C 597 54.735 56.579 -1.844 1
1 943 . 18 1 1 A 75 75 ASN CB C 597 37.074 38.167 -1.093 1
1 944 . 18 1 1 A 75 75 ASN N N 597 121.103 118.365 2.738 1
1 946 . 18 1 1 A 76 76 SER H H 598 7.927 8.531 -0.604 1
1 947 . 18 1 1 A 76 76 SER HA H 598 4.137 4.141 -0.004 1
1 950 . 18 1 1 A 76 76 SER CA C 598 60.952 61.511 -0.559 1
1 951 . 18 1 1 A 76 76 SER CB C 598 62.516 62.232 0.284 1
1 952 . 18 1 1 A 76 76 SER N N 598 116.716 114.650 2.066 1
1 953 . 18 1 1 A 77 77 LEU H H 599 7.543 7.496 0.047 1
1 954 . 18 1 1 A 77 77 LEU HA H 599 3.974 4.033 -0.059 1
1 964 . 18 1 1 A 77 77 LEU CA C 599 57.200 57.026 0.174 1
1 965 . 18 1 1 A 77 77 LEU CB C 599 41.749 42.284 -0.535 1
1 969 . 18 1 1 A 77 77 LEU N N 599 121.292 122.182 -0.890 1
1 970 . 18 1 1 A 78 78 ASN H H 600 7.755 8.070 -0.315 1
1 971 . 18 1 1 A 78 78 ASN HA H 600 4.114 4.268 -0.154 1
1 976 . 18 1 1 A 78 78 ASN CA C 600 53.603 54.507 -0.904 1
1 977 . 18 1 1 A 78 78 ASN CB C 600 37.688 38.022 -0.334 1
1 978 . 18 1 1 A 78 78 ASN N N 600 113.272 117.703 -4.431 1
1 980 . 18 1 1 A 79 79 GLU H H 601 8.389 7.953 0.436 1
1 981 . 18 1 1 A 79 79 GLU HA H 601 4.675 4.374 0.301 1
1 986 . 18 1 1 A 79 79 GLU CA C 601 53.418 54.800 -1.382 1
1 987 . 18 1 1 A 79 79 GLU CB C 601 30.704 29.588 1.116 1
1 989 . 18 1 1 A 79 79 GLU N N 601 118.840 119.427 -0.587 1
1 990 . 18 1 1 A 80 80 PRO HA H 602 4.771 4.963 -0.192 1
1 997 . 18 1 1 A 80 80 PRO CA C 602 62.189 62.670 -0.481 1
1 998 . 18 1 1 A 80 80 PRO CB C 602 32.196 31.901 0.295 1
1 1001 . 18 1 1 A 81 81 LEU H H 603 8.539 8.517 0.022 1
1 1002 . 18 1 1 A 81 81 LEU HA H 603 5.766 5.179 0.587 1
1 1012 . 18 1 1 A 81 81 LEU CA C 603 53.432 53.248 0.184 1
1 1013 . 18 1 1 A 81 81 LEU CB C 603 48.114 44.377 3.737 1
1 1017 . 18 1 1 A 81 81 LEU N N 603 118.455 123.984 -5.529 1
1 1018 . 18 1 1 A 82 82 VAL H H 604 8.322 8.284 0.038 1
1 1019 . 18 1 1 A 82 82 VAL HA H 604 5.110 5.047 0.063 1
1 1027 . 18 1 1 A 82 82 VAL CA C 604 59.609 60.712 -1.103 1
1 1028 . 18 1 1 A 82 82 VAL CB C 604 34.100 35.253 -1.153 1
1 1031 . 18 1 1 A 82 82 VAL N N 604 121.259 117.887 3.372 1
1 1032 . 18 1 1 A 83 83 THR H H 605 8.570 8.604 -0.034 1
1 1033 . 18 1 1 A 83 83 THR HA H 605 5.107 4.761 0.346 1
1 1038 . 18 1 1 A 83 83 THR CA C 605 59.606 60.217 -0.611 1
1 1039 . 18 1 1 A 83 83 THR CB C 605 71.321 70.181 1.140 1
1 1041 . 18 1 1 A 83 83 THR N N 605 117.620 119.752 -2.132 1
1 1042 . 18 1 1 A 84 84 MET H H 606 8.288 8.633 -0.345 1
1 1043 . 18 1 1 A 84 84 MET HA H 606 5.310 4.805 0.505 1
1 1051 . 18 1 1 A 84 84 MET CA C 606 55.491 53.500 1.991 1
1 1052 . 18 1 1 A 84 84 MET CB C 606 31.549 33.672 -2.123 1
1 1055 . 18 1 1 A 84 84 MET N N 606 125.405 121.199 4.206 1
1 1056 . 18 1 1 A 85 85 PRO HA H 607 4.048 4.635 -0.587 1
1 1063 . 18 1 1 A 85 85 PRO CA C 607 63.608 63.092 0.516 1
1 1064 . 18 1 1 A 85 85 PRO CB C 607 31.291 31.771 -0.480 1
1 1067 . 18 1 1 A 86 86 ILE H H 608 8.326 8.581 -0.255 1
1 1068 . 18 1 1 A 86 86 ILE HA H 608 3.423 3.992 -0.569 1
1 1078 . 18 1 1 A 86 86 ILE CA C 608 63.457 64.474 -1.017 1
1 1079 . 18 1 1 A 86 86 ILE CB C 608 35.800 38.093 -2.293 1
1 1083 . 18 1 1 A 86 86 ILE N N 608 133.106 121.629 11.477 1
1 1084 . 18 1 1 A 87 87 GLY H H 609 8.549 8.027 0.522 1
1 1085 . 18 1 1 A 87 87 GLY HA2 H 609 3.448 3.576 -0.128 1
1 1086 . 18 1 1 A 87 87 GLY HA3 H 609 4.101 3.756 0.345 1
1 1087 . 18 1 1 A 87 87 GLY CA C 609 44.556 46.868 -2.312 1
1 1088 . 18 1 1 A 87 87 GLY N N 609 111.653 108.778 2.875 1
1 1089 . 18 1 1 A 88 88 TYR H H 610 7.224 8.406 -1.182 1
1 1090 . 18 1 1 A 88 88 TYR HA H 610 4.437 4.924 -0.487 1
1 1097 . 18 1 1 A 88 88 TYR CA C 610 57.670 56.703 0.967 1
1 1098 . 18 1 1 A 88 88 TYR CB C 610 38.604 40.525 -1.921 1
1 1101 . 18 1 1 A 88 88 TYR N N 610 121.537 124.011 -2.474 1
1 1102 . 18 1 1 A 89 89 VAL H H 611 8.953 8.110 0.843 1
1 1103 . 18 1 1 A 89 89 VAL HA H 611 3.065 3.612 -0.547 1
1 1111 . 18 1 1 A 89 89 VAL CA C 611 70.009 65.989 4.020 1
1 1112 . 18 1 1 A 89 89 VAL CB C 611 30.422 31.099 -0.677 1
1 1115 . 18 1 1 A 89 89 VAL N N 611 128.074 119.969 8.105 1
1 1116 . 18 1 1 A 90 90 THR H H 612 9.348 8.197 1.151 1
1 1117 . 18 1 1 A 90 90 THR HA H 612 3.810 4.080 -0.270 1
1 1122 . 18 1 1 A 90 90 THR CA C 612 64.727 65.650 -0.923 1
1 1123 . 18 1 1 A 90 90 THR CB C 612 68.005 68.180 -0.175 1
1 1125 . 18 1 1 A 90 90 THR N N 612 117.972 114.280 3.692 1
1 1126 . 18 1 1 A 91 91 HIS H H 613 7.651 8.039 -0.388 1
1 1127 . 18 1 1 A 91 91 HIS HA H 613 4.685 4.511 0.174 1
1 1131 . 18 1 1 A 91 91 HIS CA C 613 55.419 55.868 -0.449 1
1 1132 . 18 1 1 A 91 91 HIS CB C 613 29.092 29.527 -0.435 1
1 1134 . 18 1 1 A 91 91 HIS N N 613 119.034 117.760 1.274 1
1 1135 . 18 1 1 A 92 92 GLY H H 614 7.655 8.241 -0.586 1
1 1136 . 18 1 1 A 92 92 GLY HA2 H 614 3.665 3.845 -0.180 1
1 1137 . 18 1 1 A 92 92 GLY HA3 H 614 4.095 3.896 0.199 1
1 1138 . 18 1 1 A 92 92 GLY CA C 614 45.035 46.097 -1.062 1
1 1139 . 18 1 1 A 92 92 GLY N N 614 106.031 108.888 -2.857 1
1 1140 . 18 1 1 A 93 93 PHE H H 615 6.716 8.318 -1.602 1
1 1141 . 18 1 1 A 93 93 PHE HA H 615 5.244 4.505 0.739 1
1 1149 . 18 1 1 A 93 93 PHE CA C 615 53.904 58.269 -4.365 1
1 1150 . 18 1 1 A 93 93 PHE CB C 615 38.587 40.057 -1.470 1
1 1154 . 18 1 1 A 93 93 PHE N N 615 116.220 119.434 -3.214 1
1 1155 . 18 1 1 A 94 94 ASN H H 616 9.141 8.914 0.227 1
1 1156 . 18 1 1 A 94 94 ASN HA H 616 4.956 5.031 -0.075 1
1 1161 . 18 1 1 A 94 94 ASN CA C 616 51.278 52.803 -1.525 1
1 1162 . 18 1 1 A 94 94 ASN CB C 616 37.692 39.491 -1.799 1
1 1163 . 18 1 1 A 94 94 ASN N N 616 122.153 120.378 1.775 1
1 1165 . 18 1 1 A 95 95 LEU H H 617 8.684 8.896 -0.212 1
1 1166 . 18 1 1 A 95 95 LEU HA H 617 3.831 4.091 -0.260 1
1 1176 . 18 1 1 A 95 95 LEU CA C 617 58.457 58.867 -0.410 1
1 1177 . 18 1 1 A 95 95 LEU CB C 617 41.985 41.634 0.351 1
1 1181 . 18 1 1 A 95 95 LEU N N 617 119.153 125.658 -6.505 1
1 1182 . 18 1 1 A 96 96 GLU H H 618 7.747 7.885 -0.138 1
1 1183 . 18 1 1 A 96 96 GLU HA H 618 2.864 2.498 0.366 1
1 1188 . 18 1 1 A 96 96 GLU CA C 618 59.402 59.313 0.089 1
1 1189 . 18 1 1 A 96 96 GLU CB C 618 28.323 28.969 -0.646 1
1 1191 . 18 1 1 A 96 96 GLU N N 618 120.199 118.601 1.598 1
1 1192 . 18 1 1 A 97 97 GLU H H 619 8.503 8.070 0.433 1
1 1193 . 18 1 1 A 97 97 GLU HA H 619 3.497 3.758 -0.261 1
1 1198 . 18 1 1 A 97 97 GLU CA C 619 58.251 58.856 -0.605 1
1 1199 . 18 1 1 A 97 97 GLU CB C 619 29.073 29.379 -0.306 1
1 1201 . 18 1 1 A 97 97 GLU N N 619 118.988 117.585 1.403 1
1 1202 . 18 1 1 A 98 98 ALA H H 620 8.311 8.208 0.103 1
1 1203 . 18 1 1 A 98 98 ALA HA H 620 4.211 4.625 -0.414 1
1 1207 . 18 1 1 A 98 98 ALA CA C 620 54.717 55.259 -0.542 1
1 1208 . 18 1 1 A 98 98 ALA CB C 620 18.635 18.558 0.077 1
1 1209 . 18 1 1 A 98 98 ALA N N 620 121.102 123.308 -2.206 1
1 1210 . 18 1 1 A 99 99 ALA H H 621 8.570 8.089 0.481 1
1 1211 . 18 1 1 A 99 99 ALA HA H 621 3.831 3.650 0.181 1
1 1215 . 18 1 1 A 99 99 ALA CA C 621 55.004 54.949 0.055 1
1 1216 . 18 1 1 A 99 99 ALA CB C 621 18.548 17.951 0.597 1
1 1217 . 18 1 1 A 99 99 ALA N N 621 121.431 119.602 1.829 1
1 1218 . 18 1 1 A 100 100 ARG H H 622 7.646 8.406 -0.760 1
1 1219 . 18 1 1 A 100 100 ARG HA H 622 3.636 4.016 -0.380 1
1 1226 . 18 1 1 A 100 100 ARG CA C 622 59.556 59.760 -0.204 1
1 1227 . 18 1 1 A 100 100 ARG CB C 622 29.420 29.996 -0.576 1
1 1230 . 18 1 1 A 100 100 ARG N N 622 114.812 117.083 -2.271 1
1 1231 . 18 1 1 A 101 101 CYS H H 623 7.503 8.278 -0.775 1
1 1232 . 18 1 1 A 101 101 CYS HA H 623 4.081 4.229 -0.148 1
1 1235 . 18 1 1 A 101 101 CYS CA C 623 62.364 62.381 -0.017 1
1 1236 . 18 1 1 A 101 101 CYS CB C 623 26.301 27.448 -1.147 1
1 1237 . 18 1 1 A 101 101 CYS N N 623 118.667 119.183 -0.516 1
1 1238 . 18 1 1 A 102 102 MET H H 624 8.332 8.210 0.122 1
1 1239 . 18 1 1 A 102 102 MET HA H 624 4.165 4.375 -0.210 1
1 1247 . 18 1 1 A 102 102 MET CA C 624 55.808 57.160 -1.352 1
1 1248 . 18 1 1 A 102 102 MET CB C 624 30.500 31.469 -0.969 1
1 1251 . 18 1 1 A 102 102 MET N N 624 119.480 119.175 0.305 1
1 1252 . 18 1 1 A 103 103 ARG H H 625 7.505 7.857 -0.352 1
1 1253 . 18 1 1 A 103 103 ARG HA H 625 4.022 4.175 -0.153 1
1 1260 . 18 1 1 A 103 103 ARG CA C 625 58.658 58.910 -0.252 1
1 1261 . 18 1 1 A 103 103 ARG CB C 625 30.413 30.082 0.331 1
1 1264 . 18 1 1 A 103 103 ARG N N 625 120.614 119.437 1.177 1
1 1265 . 18 1 1 A 104 104 SER H H 626 7.635 7.762 -0.127 1
1 1266 . 18 1 1 A 104 104 SER HA H 626 4.278 4.374 -0.096 1
1 1269 . 18 1 1 A 104 104 SER CA C 626 58.925 59.865 -0.940 1
1 1270 . 18 1 1 A 104 104 SER CB C 626 63.785 63.467 0.318 1
1 1271 . 18 1 1 A 104 104 SER N N 626 111.144 114.592 -3.448 1
1 1272 . 18 1 1 A 105 105 LEU H H 627 7.602 7.596 0.006 1
1 1273 . 18 1 1 A 105 105 LEU HA H 627 4.387 4.537 -0.150 1
1 1283 . 18 1 1 A 105 105 LEU CA C 627 55.025 55.377 -0.352 1
1 1284 . 18 1 1 A 105 105 LEU CB C 627 42.360 42.695 -0.335 1
1 1288 . 18 1 1 A 105 105 LEU N N 627 125.064 121.995 3.069 1
1 1289 . 18 1 1 A 106 106 LYS H H 628 9.724 8.898 0.826 1
1 1290 . 18 1 1 A 106 106 LYS HA H 628 4.244 4.492 -0.248 1
1 1299 . 18 1 1 A 106 106 LYS CA C 628 54.781 56.089 -1.308 1
1 1300 . 18 1 1 A 106 106 LYS CB C 628 33.456 33.806 -0.350 1
1 1304 . 18 1 1 A 106 106 LYS N N 628 128.616 124.813 3.803 1
1 1305 . 18 1 1 A 107 107 ALA H H 629 6.593 7.462 -0.869 1
1 1306 . 18 1 1 A 107 107 ALA HA H 629 4.420 4.413 0.007 1
1 1310 . 18 1 1 A 107 107 ALA CA C 629 50.003 50.624 -0.621 1
1 1311 . 18 1 1 A 107 107 ALA CB C 629 17.219 19.813 -2.594 1
1 1312 . 18 1 1 A 107 107 ALA N N 629 124.084 122.648 1.436 1
1 1313 . 18 1 1 A 108 108 PRO HA H 630 4.302 4.872 -0.570 1
1 1320 . 18 1 1 A 108 108 PRO CA C 630 62.816 62.352 0.464 1
1 1321 . 18 1 1 A 108 108 PRO CB C 630 31.743 32.272 -0.529 1
1 1324 . 18 1 1 A 109 109 ALA H H 631 7.898 8.360 -0.462 1
1 1325 . 18 1 1 A 109 109 ALA HA H 631 5.092 5.112 -0.020 1
1 1329 . 18 1 1 A 109 109 ALA CA C 631 50.966 50.884 0.082 1
1 1330 . 18 1 1 A 109 109 ALA CB C 631 22.217 24.203 -1.986 1
1 1331 . 18 1 1 A 109 109 ALA N N 631 122.466 121.193 1.273 1
1 1332 . 18 1 1 A 110 110 VAL H H 632 8.071 8.574 -0.503 1
1 1333 . 18 1 1 A 110 110 VAL HA H 632 4.167 4.729 -0.562 1
1 1341 . 18 1 1 A 110 110 VAL CA C 632 61.685 60.918 0.767 1
1 1342 . 18 1 1 A 110 110 VAL CB C 632 32.856 34.030 -1.174 1
1 1345 . 18 1 1 A 110 110 VAL N N 632 125.531 118.601 6.930 1
1 1346 . 18 1 1 A 111 111 VAL H H 633 8.182 8.502 -0.320 1
1 1347 . 18 1 1 A 111 111 VAL HA H 633 4.731 4.480 0.251 1
1 1355 . 18 1 1 A 111 111 VAL CA C 633 59.473 61.427 -1.954 1
1 1356 . 18 1 1 A 111 111 VAL CB C 633 32.919 33.280 -0.361 1
1 1359 . 18 1 1 A 111 111 VAL N N 633 128.148 127.305 0.843 1
1 1360 . 18 1 1 A 112 112 SER H H 634 8.591 8.798 -0.207 1
1 1361 . 18 1 1 A 112 112 SER HA H 634 4.920 4.827 0.093 1
1 1364 . 18 1 1 A 112 112 SER CA C 634 53.905 56.988 -3.083 1
1 1365 . 18 1 1 A 112 112 SER CB C 634 64.651 63.456 1.195 1
1 1366 . 18 1 1 A 112 112 SER N N 634 119.276 123.278 -4.002 1
1 1367 . 18 1 1 A 113 113 VAL H H 635 8.503 8.436 0.067 1
1 1368 . 18 1 1 A 113 113 VAL HA H 635 4.522 4.448 0.074 1
1 1376 . 18 1 1 A 113 113 VAL CA C 635 59.398 60.308 -0.910 1
1 1377 . 18 1 1 A 113 113 VAL CB C 635 32.548 34.315 -1.767 1
1 1380 . 18 1 1 A 113 113 VAL N N 635 118.886 124.358 -5.472 1
1 1381 . 18 1 1 A 114 114 SER H H 636 8.263 8.762 -0.499 1
1 1382 . 18 1 1 A 114 114 SER HA H 636 3.940 4.443 -0.503 1
1 1385 . 18 1 1 A 114 114 SER CA C 636 61.597 60.752 0.845 1
1 1386 . 18 1 1 A 114 114 SER CB C 636 63.321 64.101 -0.780 1
1 1387 . 18 1 1 A 114 114 SER N N 636 112.710 117.203 -4.493 1
1 1388 . 18 1 1 A 115 115 SER H H 637 7.269 7.903 -0.634 1
1 1389 . 18 1 1 A 115 115 SER HA H 637 4.956 4.925 0.031 1
1 1392 . 18 1 1 A 115 115 SER CA C 637 55.674 56.069 -0.395 1
1 1393 . 18 1 1 A 115 115 SER CB C 637 64.074 66.174 -2.100 1
1 1394 . 18 1 1 A 115 115 SER N N 637 114.537 113.437 1.100 1
1 1395 . 18 1 1 A 116 116 PRO HA H 638 4.186 4.382 -0.196 1
1 1402 . 18 1 1 A 116 116 PRO CA C 638 65.021 64.746 0.275 1
1 1403 . 18 1 1 A 116 116 PRO CB C 638 31.908 31.987 -0.079 1
1 1406 . 18 1 1 A 117 117 ASP H H 639 8.161 8.320 -0.159 1
1 1407 . 18 1 1 A 117 117 ASP HA H 639 4.359 4.430 -0.071 1
1 1410 . 18 1 1 A 117 117 ASP CA C 639 55.928 57.176 -1.248 1
1 1411 . 18 1 1 A 117 117 ASP CB C 639 40.088 40.561 -0.473 1
1 1412 . 18 1 1 A 117 117 ASP N N 639 116.310 117.731 -1.421 1
1 1413 . 18 1 1 A 118 118 ALA H H 640 7.596 7.668 -0.072 1
1 1414 . 18 1 1 A 118 118 ALA HA H 640 4.225 4.166 0.059 1
1 1418 . 18 1 1 A 118 118 ALA CA C 640 52.964 55.258 -2.294 1
1 1419 . 18 1 1 A 118 118 ALA CB C 640 18.334 18.560 -0.226 1
1 1420 . 18 1 1 A 118 118 ALA N N 640 121.066 122.821 -1.755 1
1 1421 . 18 1 1 A 119 119 VAL H H 641 7.280 7.605 -0.325 1
1 1422 . 18 1 1 A 119 119 VAL HA H 641 3.221 3.546 -0.325 1
1 1430 . 18 1 1 A 119 119 VAL CA C 641 66.608 67.022 -0.414 1
1 1431 . 18 1 1 A 119 119 VAL CB C 641 31.436 31.544 -0.108 1
1 1434 . 18 1 1 A 119 119 VAL N N 641 120.886 119.353 1.533 1
1 1435 . 18 1 1 A 120 120 THR H H 642 7.475 7.630 -0.155 1
1 1436 . 18 1 1 A 120 120 THR HA H 642 3.840 3.920 -0.080 1
1 1441 . 18 1 1 A 120 120 THR CA C 642 65.297 65.977 -0.680 1
1 1442 . 18 1 1 A 120 120 THR CB C 642 68.042 68.683 -0.641 1
1 1444 . 18 1 1 A 120 120 THR N N 642 112.821 115.355 -2.534 1
1 1445 . 18 1 1 A 121 121 THR H H 643 7.328 7.901 -0.573 1
1 1446 . 18 1 1 A 121 121 THR HA H 643 3.477 3.720 -0.243 1
1 1451 . 18 1 1 A 121 121 THR CA C 643 65.341 66.506 -1.165 1
1 1452 . 18 1 1 A 121 121 THR CB C 643 68.196 68.489 -0.293 1
1 1454 . 18 1 1 A 121 121 THR N N 643 119.194 117.180 2.014 1
1 1455 . 18 1 1 A 122 122 TYR H H 644 8.766 8.633 0.133 1
1 1456 . 18 1 1 A 122 122 TYR HA H 644 3.764 4.342 -0.578 1
1 1463 . 18 1 1 A 122 122 TYR CA C 644 62.340 62.188 0.152 1
1 1464 . 18 1 1 A 122 122 TYR CB C 644 39.106 38.475 0.631 1
1 1467 . 18 1 1 A 122 122 TYR N N 644 122.838 122.059 0.779 1
1 1468 . 18 1 1 A 123 123 ASN H H 645 8.290 8.616 -0.326 1
1 1469 . 18 1 1 A 123 123 ASN HA H 645 4.299 4.432 -0.133 1
1 1474 . 18 1 1 A 123 123 ASN CA C 645 55.018 56.153 -1.135 1
1 1475 . 18 1 1 A 123 123 ASN CB C 645 36.967 37.815 -0.848 1
1 1476 . 18 1 1 A 123 123 ASN N N 645 116.356 117.630 -1.274 1
1 1478 . 18 1 1 A 124 124 GLY H H 646 7.768 7.976 -0.208 1
1 1479 . 18 1 1 A 124 124 GLY HA2 H 646 3.639 3.460 0.179 1
1 1480 . 18 1 1 A 124 124 GLY HA3 H 646 3.707 3.577 0.130 1
1 1481 . 18 1 1 A 124 124 GLY CA C 646 46.521 47.152 -0.631 1
1 1482 . 18 1 1 A 124 124 GLY N N 646 108.260 108.446 -0.186 1
1 1483 . 18 1 1 A 125 125 TYR H H 647 7.386 7.627 -0.241 1
1 1484 . 18 1 1 A 125 125 TYR HA H 647 4.608 4.578 0.030 1
1 1491 . 18 1 1 A 125 125 TYR CA C 647 57.204 59.634 -2.430 1
1 1492 . 18 1 1 A 125 125 TYR CB C 647 37.557 37.632 -0.075 1
1 1495 . 18 1 1 A 125 125 TYR N N 647 120.587 121.418 -0.831 1
1 1496 . 18 1 1 A 126 126 LEU H H 648 7.802 8.056 -0.254 1
1 1497 . 18 1 1 A 126 126 LEU HA H 648 3.801 4.136 -0.335 1
1 1507 . 18 1 1 A 126 126 LEU CA C 648 56.663 57.100 -0.437 1
1 1508 . 18 1 1 A 126 126 LEU CB C 648 42.298 41.638 0.660 1
1 1512 . 18 1 1 A 126 126 LEU N N 648 119.234 118.636 0.598 1
1 1513 . 18 1 1 A 127 127 THR H H 649 7.473 7.536 -0.063 1
1 1514 . 18 1 1 A 127 127 THR HA H 649 4.238 4.584 -0.346 1
1 1519 . 18 1 1 A 127 127 THR CA C 649 61.868 61.939 -0.071 1
1 1520 . 18 1 1 A 127 127 THR CB C 649 69.451 70.129 -0.678 1
1 1522 . 18 1 1 A 127 127 THR N N 649 108.633 113.143 -4.510 1
1 1523 . 18 1 1 A 128 128 SER H H 650 7.696 7.805 -0.109 1
1 1524 . 18 1 1 A 128 128 SER HA H 650 4.439 4.205 0.234 1
1 1527 . 18 1 1 A 128 128 SER CA C 650 58.451 58.779 -0.328 1
1 1528 . 18 1 1 A 128 128 SER CB C 650 63.763 61.266 2.497 1
1 1529 . 18 1 1 A 128 128 SER N N 650 117.667 115.900 1.767 1
1 1 . 19 1 1 A 2 2 SER HA H -3 4.607 4.690 -0.083 1
1 4 . 19 1 1 A 2 2 SER C C -3 174.489 174.429 0.060 1
1 5 . 19 1 1 A 2 2 SER CA C -3 56.994 58.584 -1.590 1
1 6 . 19 1 1 A 2 2 SER CB C -3 64.641 64.354 0.287 1
1 7 . 19 1 1 A 2 2 SER N N -3 115.970 112.582 3.388 1
1 8 . 19 1 1 A 3 3 HIS H H -2 8.138 7.673 0.465 1
1 9 . 19 1 1 A 3 3 HIS HA H -2 4.558 4.810 -0.252 1
1 13 . 19 1 1 A 3 3 HIS C C -2 176.502 173.312 3.190 1
1 14 . 19 1 1 A 3 3 HIS CA C -2 56.164 55.362 0.802 1
1 15 . 19 1 1 A 3 3 HIS CB C -2 30.643 32.857 -2.214 1
1 17 . 19 1 1 A 3 3 HIS N N -2 122.640 116.030 6.610 1
1 39 . 19 1 1 A 6 6 THR H H 528 7.755 8.549 -0.794 1
1 40 . 19 1 1 A 6 6 THR HA H 528 5.155 4.878 0.277 1
1 45 . 19 1 1 A 6 6 THR C C 528 174.544 174.451 0.093 1
1 46 . 19 1 1 A 6 6 THR CA C 528 60.657 62.898 -2.241 1
1 47 . 19 1 1 A 6 6 THR CB C 528 68.218 69.603 -1.385 1
1 49 . 19 1 1 A 6 6 THR N N 528 118.293 116.112 2.181 1
1 50 . 19 1 1 A 7 7 VAL H H 529 8.966 9.069 -0.103 1
1 51 . 19 1 1 A 7 7 VAL HA H 529 4.240 4.766 -0.526 1
1 59 . 19 1 1 A 7 7 VAL C C 529 174.012 175.007 -0.995 1
1 60 . 19 1 1 A 7 7 VAL CA C 529 58.309 58.839 -0.530 1
1 61 . 19 1 1 A 7 7 VAL CB C 529 35.661 35.168 0.493 1
1 64 . 19 1 1 A 7 7 VAL N N 529 121.381 120.591 0.790 1
1 65 . 19 1 1 A 8 8 SER H H 530 8.193 8.283 -0.090 1
1 66 . 19 1 1 A 8 8 SER HA H 530 4.825 4.793 0.032 1
1 69 . 19 1 1 A 8 8 SER C C 530 172.908 174.854 -1.946 1
1 70 . 19 1 1 A 8 8 SER CA C 530 55.790 57.187 -1.397 1
1 71 . 19 1 1 A 8 8 SER CB C 530 62.800 63.714 -0.914 1
1 72 . 19 1 1 A 8 8 SER N N 530 113.044 114.893 -1.849 1
1 73 . 19 1 1 A 9 9 TRP H H 531 7.595 7.494 0.101 1
1 74 . 19 1 1 A 9 9 TRP HA H 531 5.353 4.680 0.673 1
1 83 . 19 1 1 A 9 9 TRP C C 531 177.031 176.412 0.619 1
1 84 . 19 1 1 A 9 9 TRP CA C 531 51.902 57.862 -5.960 1
1 85 . 19 1 1 A 9 9 TRP CB C 531 32.848 30.305 2.543 1
1 91 . 19 1 1 A 9 9 TRP N N 531 124.627 124.529 0.098 1
1 93 . 19 1 1 A 10 10 ASN H H 532 9.312 8.799 0.513 1
1 94 . 19 1 1 A 10 10 ASN HA H 532 4.601 5.092 -0.491 1
1 99 . 19 1 1 A 10 10 ASN C C 532 175.214 175.474 -0.260 1
1 100 . 19 1 1 A 10 10 ASN CA C 532 51.428 52.320 -0.892 1
1 101 . 19 1 1 A 10 10 ASN CB C 532 38.140 39.705 -1.565 1
1 102 . 19 1 1 A 10 10 ASN N N 532 121.842 119.947 1.895 1
1 104 . 19 1 1 A 11 11 LEU H H 533 8.503 8.738 -0.235 1
1 105 . 19 1 1 A 11 11 LEU HA H 533 4.086 4.091 -0.005 1
1 115 . 19 1 1 A 11 11 LEU C C 533 178.309 178.706 -0.397 1
1 116 . 19 1 1 A 11 11 LEU CA C 533 58.491 58.734 -0.243 1
1 117 . 19 1 1 A 11 11 LEU CB C 533 41.525 41.173 0.352 1
1 121 . 19 1 1 A 11 11 LEU N N 533 119.723 121.521 -1.798 1
1 122 . 19 1 1 A 12 12 ARG H H 534 8.057 8.409 -0.352 1
1 123 . 19 1 1 A 12 12 ARG HA H 534 3.840 3.989 -0.149 1
1 130 . 19 1 1 A 12 12 ARG C C 534 179.597 179.386 0.211 1
1 131 . 19 1 1 A 12 12 ARG CA C 534 59.873 60.080 -0.207 1
1 132 . 19 1 1 A 12 12 ARG CB C 534 29.076 30.138 -1.062 1
1 135 . 19 1 1 A 12 12 ARG N N 534 117.711 118.862 -1.151 1
1 136 . 19 1 1 A 13 13 GLU H H 535 8.342 8.188 0.154 1
1 137 . 19 1 1 A 13 13 GLU HA H 535 3.724 4.069 -0.345 1
1 142 . 19 1 1 A 13 13 GLU C C 535 179.948 179.444 0.504 1
1 143 . 19 1 1 A 13 13 GLU CA C 535 58.753 59.059 -0.306 1
1 144 . 19 1 1 A 13 13 GLU CB C 535 29.402 29.273 0.129 1
1 146 . 19 1 1 A 13 13 GLU N N 535 121.501 119.911 1.590 1
1 147 . 19 1 1 A 14 14 MET H H 536 8.684 8.506 0.178 1
1 148 . 19 1 1 A 14 14 MET HA H 536 3.945 4.372 -0.427 1
1 156 . 19 1 1 A 14 14 MET C C 536 177.364 178.725 -1.361 1
1 157 . 19 1 1 A 14 14 MET CA C 536 60.550 58.921 1.629 1
1 158 . 19 1 1 A 14 14 MET CB C 536 34.412 33.111 1.301 1
1 161 . 19 1 1 A 14 14 MET N N 536 120.565 119.819 0.746 1
1 162 . 19 1 1 A 15 15 LEU H H 537 8.731 8.534 0.197 1
1 163 . 19 1 1 A 15 15 LEU HA H 537 3.970 4.162 -0.192 1
1 173 . 19 1 1 A 15 15 LEU C C 537 178.544 178.529 0.015 1
1 174 . 19 1 1 A 15 15 LEU CA C 537 57.723 58.543 -0.820 1
1 175 . 19 1 1 A 15 15 LEU CB C 537 41.396 42.037 -0.641 1
1 179 . 19 1 1 A 15 15 LEU N N 537 118.710 121.383 -2.673 1
1 180 . 19 1 1 A 16 16 ALA H H 538 7.816 8.403 -0.587 1
1 181 . 19 1 1 A 16 16 ALA HA H 538 4.026 4.120 -0.094 1
1 185 . 19 1 1 A 16 16 ALA C C 538 180.374 179.233 1.141 1
1 186 . 19 1 1 A 16 16 ALA CA C 538 54.734 55.254 -0.520 1
1 187 . 19 1 1 A 16 16 ALA CB C 538 17.670 18.331 -0.661 1
1 188 . 19 1 1 A 16 16 ALA N N 538 120.155 121.138 -0.983 1
1 189 . 19 1 1 A 17 17 HIS H H 539 7.715 8.452 -0.737 1
1 190 . 19 1 1 A 17 17 HIS HA H 539 4.180 4.153 0.027 1
1 194 . 19 1 1 A 17 17 HIS C C 539 179.167 176.969 2.198 1
1 195 . 19 1 1 A 17 17 HIS CA C 539 59.392 59.653 -0.261 1
1 196 . 19 1 1 A 17 17 HIS CB C 539 29.094 29.602 -0.508 1
1 198 . 19 1 1 A 17 17 HIS N N 539 117.446 117.851 -0.405 1
1 199 . 19 1 1 A 18 18 ALA H H 540 8.995 8.172 0.823 1
1 200 . 19 1 1 A 18 18 ALA HA H 540 3.656 3.993 -0.337 1
1 204 . 19 1 1 A 18 18 ALA C C 540 180.803 179.267 1.536 1
1 205 . 19 1 1 A 18 18 ALA CA C 540 55.762 55.385 0.377 1
1 206 . 19 1 1 A 18 18 ALA CB C 540 18.380 18.306 0.074 1
1 207 . 19 1 1 A 18 18 ALA N N 540 124.222 121.345 2.877 1
1 208 . 19 1 1 A 19 19 GLU H H 541 8.840 8.296 0.544 1
1 209 . 19 1 1 A 19 19 GLU HA H 541 3.695 3.914 -0.219 1
1 214 . 19 1 1 A 19 19 GLU C C 541 178.479 178.585 -0.106 1
1 215 . 19 1 1 A 19 19 GLU CA C 541 59.695 59.968 -0.273 1
1 216 . 19 1 1 A 19 19 GLU CB C 541 29.740 29.287 0.453 1
1 218 . 19 1 1 A 19 19 GLU N N 541 121.086 118.517 2.569 1
1 219 . 19 1 1 A 20 20 GLU H H 542 7.649 8.617 -0.968 1
1 220 . 19 1 1 A 20 20 GLU HA H 542 3.980 4.029 -0.049 1
1 225 . 19 1 1 A 20 20 GLU C C 542 178.212 178.748 -0.536 1
1 226 . 19 1 1 A 20 20 GLU CA C 542 58.593 59.309 -0.716 1
1 227 . 19 1 1 A 20 20 GLU CB C 542 30.293 29.459 0.834 1
1 229 . 19 1 1 A 20 20 GLU N N 542 117.027 118.990 -1.963 1
1 230 . 19 1 1 A 21 21 THR H H 543 7.588 7.574 0.014 1
1 231 . 19 1 1 A 21 21 THR HA H 543 4.105 4.160 -0.055 1
1 236 . 19 1 1 A 21 21 THR C C 543 175.320 174.760 0.560 1
1 237 . 19 1 1 A 21 21 THR CA C 543 62.110 63.407 -1.297 1
1 238 . 19 1 1 A 21 21 THR CB C 543 70.747 68.767 1.980 1
1 240 . 19 1 1 A 21 21 THR N N 543 105.058 114.102 -9.044 1
1 241 . 19 1 1 A 22 22 ARG H H 544 7.678 7.681 -0.003 1
1 242 . 19 1 1 A 22 22 ARG HA H 544 3.925 4.465 -0.540 1
1 249 . 19 1 1 A 22 22 ARG C C 544 175.207 176.127 -0.920 1
1 250 . 19 1 1 A 22 22 ARG CA C 544 55.996 55.777 0.219 1
1 251 . 19 1 1 A 22 22 ARG CB C 544 24.959 31.372 -6.413 1
1 254 . 19 1 1 A 22 22 ARG N N 544 116.694 119.598 -2.904 1
1 255 . 19 1 1 A 23 23 LYS H H 545 6.931 7.179 -0.248 1
1 256 . 19 1 1 A 23 23 LYS HA H 545 4.169 4.321 -0.152 1
1 265 . 19 1 1 A 23 23 LYS C C 545 174.855 176.157 -1.302 1
1 266 . 19 1 1 A 23 23 LYS CA C 545 56.339 56.444 -0.105 1
1 267 . 19 1 1 A 23 23 LYS CB C 545 36.104 33.890 2.214 1
1 271 . 19 1 1 A 23 23 LYS N N 545 117.744 120.782 -3.038 1
1 272 . 19 1 1 A 24 24 LEU H H 546 7.898 8.471 -0.573 1
1 273 . 19 1 1 A 24 24 LEU HA H 546 4.487 4.694 -0.207 1
1 283 . 19 1 1 A 24 24 LEU C C 546 175.730 175.230 0.500 1
1 284 . 19 1 1 A 24 24 LEU CA C 546 54.171 54.849 -0.678 1
1 285 . 19 1 1 A 24 24 LEU CB C 546 43.228 43.242 -0.014 1
1 289 . 19 1 1 A 24 24 LEU N N 546 122.692 123.282 -0.590 1
1 290 . 19 1 1 A 25 25 MET H H 547 8.767 8.855 -0.088 1
1 291 . 19 1 1 A 25 25 MET HA H 547 5.728 5.006 0.722 1
1 299 . 19 1 1 A 25 25 MET CA C 547 51.900 53.188 -1.288 1
1 300 . 19 1 1 A 25 25 MET CB C 547 34.876 34.713 0.163 1
1 303 . 19 1 1 A 25 25 MET N N 547 126.346 124.906 1.440 1
1 304 . 19 1 1 A 26 26 PRO HA H 548 5.994 5.276 0.718 1
1 311 . 19 1 1 A 26 26 PRO C C 548 176.241 176.232 0.009 1
1 312 . 19 1 1 A 26 26 PRO CA C 548 61.285 62.729 -1.444 1
1 313 . 19 1 1 A 26 26 PRO CB C 548 32.260 32.813 -0.553 1
1 316 . 19 1 1 A 27 27 ILE H H 549 9.054 8.778 0.276 1
1 317 . 19 1 1 A 27 27 ILE HA H 549 4.284 4.564 -0.280 1
1 327 . 19 1 1 A 27 27 ILE C C 549 173.407 174.917 -1.510 1
1 328 . 19 1 1 A 27 27 ILE CA C 549 57.503 59.772 -2.269 1
1 329 . 19 1 1 A 27 27 ILE CB C 549 41.581 41.487 0.094 1
1 333 . 19 1 1 A 27 27 ILE N N 549 126.281 121.512 4.769 1
1 334 . 19 1 1 A 28 28 CYS H H 550 8.459 8.503 -0.044 1
1 335 . 19 1 1 A 28 28 CYS HA H 550 3.704 3.412 0.292 1
1 339 . 19 1 1 A 28 28 CYS C C 550 174.180 175.788 -1.608 1
1 340 . 19 1 1 A 28 28 CYS CA C 550 56.873 58.411 -1.538 1
1 341 . 19 1 1 A 28 28 CYS CB C 550 27.537 28.008 -0.471 1
1 342 . 19 1 1 A 28 28 CYS N N 550 125.844 125.829 0.015 1
1 343 . 19 1 1 A 29 29 MET H H 551 8.782 8.778 0.004 1
1 344 . 19 1 1 A 29 29 MET HA H 551 4.637 4.101 0.536 1
1 352 . 19 1 1 A 29 29 MET C C 551 174.613 177.822 -3.209 1
1 353 . 19 1 1 A 29 29 MET CA C 551 56.871 57.215 -0.344 1
1 354 . 19 1 1 A 29 29 MET CB C 551 34.394 31.006 3.388 1
1 357 . 19 1 1 A 29 29 MET N N 551 127.467 127.068 0.399 1
1 358 . 19 1 1 A 30 30 ASP H H 552 7.308 8.169 -0.861 1
1 359 . 19 1 1 A 30 30 ASP HA H 552 4.562 4.325 0.237 1
1 362 . 19 1 1 A 30 30 ASP C C 552 175.386 176.790 -1.404 1
1 363 . 19 1 1 A 30 30 ASP CA C 552 54.371 57.325 -2.954 1
1 364 . 19 1 1 A 30 30 ASP CB C 552 41.751 41.217 0.534 1
1 365 . 19 1 1 A 30 30 ASP N N 552 117.209 121.053 -3.844 1
1 366 . 19 1 1 A 31 31 VAL H H 553 7.257 7.400 -0.143 1
1 367 . 19 1 1 A 31 31 VAL HA H 553 4.057 4.237 -0.180 1
1 375 . 19 1 1 A 31 31 VAL C C 553 175.729 175.877 -0.148 1
1 376 . 19 1 1 A 31 31 VAL CA C 553 61.834 62.111 -0.277 1
1 377 . 19 1 1 A 31 31 VAL CB C 553 30.034 29.607 0.427 1
1 380 . 19 1 1 A 31 31 VAL N N 553 120.645 117.566 3.079 1
1 381 . 19 1 1 A 32 32 ARG H H 554 8.412 8.276 0.136 1
1 382 . 19 1 1 A 32 32 ARG HA H 554 3.794 3.993 -0.199 1
1 389 . 19 1 1 A 32 32 ARG C C 554 178.819 178.729 0.090 1
1 390 . 19 1 1 A 32 32 ARG CA C 554 59.725 59.226 0.499 1
1 391 . 19 1 1 A 32 32 ARG CB C 554 29.537 29.761 -0.224 1
1 394 . 19 1 1 A 32 32 ARG N N 554 130.554 126.834 3.720 1
1 395 . 19 1 1 A 33 33 ALA H H 555 9.094 8.049 1.045 1
1 396 . 19 1 1 A 33 33 ALA HA H 555 4.081 4.081 0.000 1
1 400 . 19 1 1 A 33 33 ALA C C 555 180.716 180.003 0.713 1
1 401 . 19 1 1 A 33 33 ALA CA C 555 55.002 55.198 -0.196 1
1 402 . 19 1 1 A 33 33 ALA CB C 555 18.462 18.533 -0.071 1
1 403 . 19 1 1 A 33 33 ALA N N 555 119.862 121.442 -1.580 1
1 404 . 19 1 1 A 34 34 ILE H H 556 6.620 7.814 -1.194 1
1 405 . 19 1 1 A 34 34 ILE HA H 556 3.745 3.577 0.168 1
1 415 . 19 1 1 A 34 34 ILE C C 556 177.540 177.937 -0.397 1
1 416 . 19 1 1 A 34 34 ILE CA C 556 64.101 65.140 -1.039 1
1 417 . 19 1 1 A 34 34 ILE CB C 556 38.397 37.869 0.528 1
1 421 . 19 1 1 A 34 34 ILE N N 556 116.216 117.782 -1.566 1
1 422 . 19 1 1 A 35 35 MET H H 557 7.619 8.142 -0.523 1
1 423 . 19 1 1 A 35 35 MET HA H 557 4.249 4.108 0.141 1
1 431 . 19 1 1 A 35 35 MET C C 557 178.737 178.343 0.394 1
1 432 . 19 1 1 A 35 35 MET CA C 557 56.113 58.902 -2.789 1
1 433 . 19 1 1 A 35 35 MET CB C 557 29.490 32.110 -2.620 1
1 436 . 19 1 1 A 35 35 MET N N 557 118.017 118.481 -0.464 1
1 437 . 19 1 1 A 36 36 ALA H H 558 8.410 8.098 0.312 1
1 438 . 19 1 1 A 36 36 ALA HA H 558 4.084 4.073 0.011 1
1 442 . 19 1 1 A 36 36 ALA C C 558 180.632 179.992 0.640 1
1 443 . 19 1 1 A 36 36 ALA CA C 558 55.024 54.858 0.166 1
1 444 . 19 1 1 A 36 36 ALA CB C 558 17.698 18.103 -0.405 1
1 445 . 19 1 1 A 36 36 ALA N N 558 121.592 121.124 0.468 1
1 446 . 19 1 1 A 37 37 THR H H 559 7.294 7.621 -0.327 1
1 447 . 19 1 1 A 37 37 THR HA H 559 3.858 3.942 -0.084 1
1 452 . 19 1 1 A 37 37 THR C C 559 176.419 177.146 -0.727 1
1 453 . 19 1 1 A 37 37 THR CA C 559 66.590 67.152 -0.562 1
1 454 . 19 1 1 A 37 37 THR CB C 559 68.001 68.215 -0.214 1
1 456 . 19 1 1 A 37 37 THR N N 559 115.835 114.297 1.538 1
1 457 . 19 1 1 A 38 38 ILE H H 560 8.109 8.215 -0.106 1
1 458 . 19 1 1 A 38 38 ILE HA H 560 3.698 3.783 -0.085 1
1 468 . 19 1 1 A 38 38 ILE C C 560 176.934 178.330 -1.396 1
1 469 . 19 1 1 A 38 38 ILE CA C 560 65.952 65.622 0.330 1
1 470 . 19 1 1 A 38 38 ILE CB C 560 38.252 37.741 0.511 1
1 474 . 19 1 1 A 38 38 ILE N N 560 121.886 121.615 0.271 1
1 475 . 19 1 1 A 39 39 GLN H H 561 8.425 8.573 -0.148 1
1 476 . 19 1 1 A 39 39 GLN HA H 561 3.809 4.311 -0.502 1
1 483 . 19 1 1 A 39 39 GLN C C 561 177.126 178.839 -1.713 1
1 484 . 19 1 1 A 39 39 GLN CA C 561 58.751 59.088 -0.337 1
1 485 . 19 1 1 A 39 39 GLN CB C 561 29.255 28.492 0.763 1
1 487 . 19 1 1 A 39 39 GLN N N 561 116.211 117.992 -1.781 1
1 489 . 19 1 1 A 40 40 ARG H H 562 7.334 8.061 -0.727 1
1 490 . 19 1 1 A 40 40 ARG HA H 562 4.092 4.085 0.007 1
1 497 . 19 1 1 A 40 40 ARG C C 562 177.186 178.581 -1.395 1
1 498 . 19 1 1 A 40 40 ARG CA C 562 57.837 59.432 -1.595 1
1 499 . 19 1 1 A 40 40 ARG CB C 562 30.668 29.907 0.761 1
1 502 . 19 1 1 A 40 40 ARG N N 562 116.464 121.252 -4.788 1
1 503 . 19 1 1 A 41 41 LYS H H 563 7.802 7.654 0.148 1
1 504 . 19 1 1 A 41 41 LYS HA H 563 3.926 4.042 -0.116 1
1 513 . 19 1 1 A 41 41 LYS C C 563 176.735 176.286 0.449 1
1 514 . 19 1 1 A 41 41 LYS CA C 563 57.866 58.159 -0.293 1
1 515 . 19 1 1 A 41 41 LYS CB C 563 33.314 32.912 0.402 1
1 519 . 19 1 1 A 41 41 LYS N N 563 118.658 118.609 0.049 1
1 520 . 19 1 1 A 42 42 TYR H H 564 8.208 8.636 -0.428 1
1 521 . 19 1 1 A 42 42 TYR HA H 564 4.786 5.354 -0.568 1
1 528 . 19 1 1 A 42 42 TYR C C 564 174.346 175.983 -1.637 1
1 529 . 19 1 1 A 42 42 TYR CA C 564 55.497 56.178 -0.681 1
1 530 . 19 1 1 A 42 42 TYR CB C 564 36.075 38.555 -2.480 1
1 533 . 19 1 1 A 42 42 TYR N N 564 121.157 117.679 3.478 1
1 534 . 19 1 1 A 43 43 LYS H H 565 7.212 8.451 -1.239 1
1 535 . 19 1 1 A 43 43 LYS HA H 565 4.081 4.218 -0.137 1
1 544 . 19 1 1 A 43 43 LYS C C 565 179.082 178.949 0.133 1
1 545 . 19 1 1 A 43 43 LYS CA C 565 58.075 59.301 -1.226 1
1 546 . 19 1 1 A 43 43 LYS CB C 565 32.157 32.603 -0.446 1
1 550 . 19 1 1 A 43 43 LYS N N 565 119.412 124.849 -5.437 1
1 551 . 19 1 1 A 44 44 GLY H H 566 9.179 8.141 1.038 1
1 552 . 19 1 1 A 44 44 GLY HA2 H 566 3.607 3.789 -0.182 1
1 553 . 19 1 1 A 44 44 GLY HA3 H 566 4.252 3.791 0.461 1
1 554 . 19 1 1 A 44 44 GLY C C 566 173.990 174.421 -0.431 1
1 555 . 19 1 1 A 44 44 GLY CA C 566 44.860 46.506 -1.646 1
1 556 . 19 1 1 A 44 44 GLY N N 566 114.958 107.090 7.868 1
1 557 . 19 1 1 A 45 45 ILE H H 567 7.604 7.048 0.556 1
1 558 . 19 1 1 A 45 45 ILE HA H 567 2.533 3.659 -1.126 1
1 568 . 19 1 1 A 45 45 ILE C C 567 172.893 175.387 -2.494 1
1 569 . 19 1 1 A 45 45 ILE CA C 567 61.754 61.593 0.161 1
1 570 . 19 1 1 A 45 45 ILE CB C 567 38.302 38.629 -0.327 1
1 574 . 19 1 1 A 45 45 ILE N N 567 122.496 121.696 0.800 1
1 575 . 19 1 1 A 46 46 LYS H H 568 7.733 8.457 -0.724 1
1 576 . 19 1 1 A 46 46 LYS HA H 568 4.307 4.618 -0.311 1
1 585 . 19 1 1 A 46 46 LYS C C 568 174.772 175.682 -0.910 1
1 586 . 19 1 1 A 46 46 LYS CA C 568 54.069 55.227 -1.158 1
1 587 . 19 1 1 A 46 46 LYS CB C 568 31.741 33.364 -1.623 1
1 591 . 19 1 1 A 46 46 LYS N N 568 128.712 127.317 1.395 1
1 592 . 19 1 1 A 47 47 ILE H H 569 8.081 8.490 -0.409 1
1 593 . 19 1 1 A 47 47 ILE HA H 569 3.166 3.908 -0.742 1
1 603 . 19 1 1 A 47 47 ILE CA C 569 61.564 61.253 0.311 1
1 604 . 19 1 1 A 47 47 ILE CB C 569 36.718 37.513 -0.795 1
1 608 . 19 1 1 A 47 47 ILE N N 569 124.424 124.777 -0.353 1
1 609 . 19 1 1 A 48 48 GLN H H 570 6.700 8.661 -1.961 1
1 610 . 19 1 1 A 48 48 GLN HA H 570 4.205 4.921 -0.716 1
1 617 . 19 1 1 A 48 48 GLN CA C 570 53.129 53.605 -0.476 1
1 618 . 19 1 1 A 48 48 GLN CB C 570 31.211 32.341 -1.130 1
1 620 . 19 1 1 A 48 48 GLN N N 570 122.748 123.854 -1.106 1
1 622 . 19 1 1 A 49 49 GLU H H 571 8.218 8.453 -0.235 1
1 623 . 19 1 1 A 49 49 GLU HA H 571 3.727 4.631 -0.904 1
1 628 . 19 1 1 A 49 49 GLU CA C 571 57.976 56.326 1.650 1
1 629 . 19 1 1 A 49 49 GLU CB C 571 30.954 29.059 1.895 1
1 631 . 19 1 1 A 49 49 GLU N N 571 116.531 120.542 -4.011 1
1 632 . 19 1 1 A 50 50 GLY H H 572 8.967 7.684 1.283 1
1 633 . 19 1 1 A 50 50 GLY HA2 H 572 2.810 4.230 -1.420 1
1 634 . 19 1 1 A 50 50 GLY HA3 H 572 4.198 4.262 -0.064 1
1 635 . 19 1 1 A 50 50 GLY CA C 572 43.607 45.575 -1.968 1
1 636 . 19 1 1 A 50 50 GLY N N 572 111.469 110.790 0.679 1
1 637 . 19 1 1 A 51 51 ILE H H 573 8.410 8.860 -0.450 1
1 638 . 19 1 1 A 51 51 ILE HA H 573 4.916 4.672 0.244 1
1 648 . 19 1 1 A 51 51 ILE CA C 573 61.137 62.655 -1.518 1
1 649 . 19 1 1 A 51 51 ILE CB C 573 38.165 38.379 -0.214 1
1 653 . 19 1 1 A 51 51 ILE N N 573 120.591 122.271 -1.680 1
1 654 . 19 1 1 A 52 52 VAL H H 574 8.900 8.983 -0.083 1
1 655 . 19 1 1 A 52 52 VAL HA H 574 4.073 4.675 -0.602 1
1 663 . 19 1 1 A 52 52 VAL CA C 574 62.516 61.527 0.989 1
1 664 . 19 1 1 A 52 52 VAL CB C 574 35.957 34.110 1.847 1
1 667 . 19 1 1 A 52 52 VAL N N 574 131.435 128.736 2.699 1
1 668 . 19 1 1 A 53 53 ASP H H 575 8.731 9.063 -0.332 1
1 669 . 19 1 1 A 53 53 ASP HA H 575 4.953 4.865 0.088 1
1 672 . 19 1 1 A 53 53 ASP CA C 575 52.137 53.910 -1.773 1
1 673 . 19 1 1 A 53 53 ASP CB C 575 40.659 38.997 1.662 1
1 674 . 19 1 1 A 53 53 ASP N N 575 126.463 128.521 -2.058 1
1 675 . 19 1 1 A 54 54 TYR H H 576 8.639 8.621 0.018 1
1 676 . 19 1 1 A 54 54 TYR HA H 576 4.407 4.878 -0.471 1
1 683 . 19 1 1 A 54 54 TYR CA C 576 57.833 57.643 0.190 1
1 684 . 19 1 1 A 54 54 TYR CB C 576 38.634 40.611 -1.977 1
1 687 . 19 1 1 A 54 54 TYR N N 576 131.097 124.794 6.303 1
1 688 . 19 1 1 A 55 55 GLY H H 577 8.388 8.904 -0.516 1
1 689 . 19 1 1 A 55 55 GLY HA2 H 577 3.056 3.767 -0.711 1
1 690 . 19 1 1 A 55 55 GLY HA3 H 577 4.307 3.877 0.430 1
1 691 . 19 1 1 A 55 55 GLY CA C 577 46.347 47.083 -0.736 1
1 692 . 19 1 1 A 55 55 GLY N N 577 115.719 116.631 -0.912 1
1 693 . 19 1 1 A 56 56 VAL H H 578 7.143 7.137 0.006 1
1 694 . 19 1 1 A 56 56 VAL HA H 578 3.410 4.116 -0.706 1
1 702 . 19 1 1 A 56 56 VAL CA C 578 60.335 60.391 -0.056 1
1 703 . 19 1 1 A 56 56 VAL CB C 578 35.027 32.246 2.781 1
1 706 . 19 1 1 A 56 56 VAL N N 578 124.853 122.829 2.024 1
1 707 . 19 1 1 A 57 57 ARG H H 579 8.091 8.193 -0.102 1
1 708 . 19 1 1 A 57 57 ARG HA H 579 4.292 4.527 -0.235 1
1 715 . 19 1 1 A 57 57 ARG CA C 579 55.039 55.447 -0.408 1
1 716 . 19 1 1 A 57 57 ARG CB C 579 29.224 30.349 -1.125 1
1 719 . 19 1 1 A 57 57 ARG N N 579 124.754 126.467 -1.713 1
1 720 . 19 1 1 A 58 58 PHE H H 580 8.499 9.365 -0.866 1
1 721 . 19 1 1 A 58 58 PHE HA H 580 4.647 4.936 -0.289 1
1 729 . 19 1 1 A 58 58 PHE CA C 580 57.563 57.020 0.543 1
1 730 . 19 1 1 A 58 58 PHE CB C 580 42.026 40.647 1.379 1
1 734 . 19 1 1 A 58 58 PHE N N 580 124.105 125.455 -1.350 1
1 735 . 19 1 1 A 59 59 PHE H H 581 7.683 8.619 -0.936 1
1 736 . 19 1 1 A 59 59 PHE HA H 581 4.689 4.997 -0.308 1
1 743 . 19 1 1 A 59 59 PHE CA C 581 56.662 56.435 0.227 1
1 744 . 19 1 1 A 59 59 PHE CB C 581 41.024 40.115 0.909 1
1 747 . 19 1 1 A 59 59 PHE N N 581 119.707 122.591 -2.884 1
1 748 . 19 1 1 A 60 60 PHE H H 582 8.898 8.357 0.541 1
1 749 . 19 1 1 A 60 60 PHE HA H 582 5.563 5.092 0.471 1
1 757 . 19 1 1 A 60 60 PHE CA C 582 57.615 57.510 0.105 1
1 758 . 19 1 1 A 60 60 PHE CB C 582 39.539 40.529 -0.990 1
1 762 . 19 1 1 A 60 60 PHE N N 582 127.157 126.292 0.865 1
1 763 . 19 1 1 A 61 61 TYR H H 583 8.441 8.927 -0.486 1
1 764 . 19 1 1 A 61 61 TYR HA H 583 5.301 5.381 -0.080 1
1 771 . 19 1 1 A 61 61 TYR CA C 583 54.556 55.506 -0.950 1
1 772 . 19 1 1 A 61 61 TYR CB C 583 41.444 41.603 -0.159 1
1 775 . 19 1 1 A 61 61 TYR N N 583 119.072 118.396 0.676 1
1 776 . 19 1 1 A 62 62 THR H H 584 9.444 8.619 0.825 1
1 777 . 19 1 1 A 62 62 THR HA H 584 4.680 4.803 -0.123 1
1 782 . 19 1 1 A 62 62 THR CA C 584 59.784 59.858 -0.074 1
1 783 . 19 1 1 A 62 62 THR CB C 584 71.274 70.756 0.518 1
1 785 . 19 1 1 A 62 62 THR N N 584 113.469 114.590 -1.121 1
1 786 . 19 1 1 A 63 63 SER H H 585 9.092 9.054 0.038 1
1 787 . 19 1 1 A 63 63 SER HA H 585 4.685 3.885 0.800 1
1 790 . 19 1 1 A 63 63 SER CA C 585 59.665 60.923 -1.258 1
1 791 . 19 1 1 A 63 63 SER CB C 585 62.835 63.024 -0.189 1
1 792 . 19 1 1 A 63 63 SER N N 585 114.155 118.097 -3.942 1
1 793 . 19 1 1 A 64 64 LYS H H 586 7.484 7.839 -0.355 1
1 794 . 19 1 1 A 64 64 LYS HA H 586 4.074 4.256 -0.182 1
1 803 . 19 1 1 A 64 64 LYS CA C 586 55.960 59.249 -3.289 1
1 804 . 19 1 1 A 64 64 LYS CB C 586 32.662 32.232 0.430 1
1 808 . 19 1 1 A 64 64 LYS N N 586 118.230 119.419 -1.189 1
1 809 . 19 1 1 A 65 65 GLU H H 587 7.194 7.781 -0.587 1
1 810 . 19 1 1 A 65 65 GLU HA H 587 4.584 4.466 0.118 1
1 815 . 19 1 1 A 65 65 GLU CA C 587 53.443 54.662 -1.219 1
1 816 . 19 1 1 A 65 65 GLU CB C 587 30.381 30.677 -0.296 1
1 818 . 19 1 1 A 65 65 GLU N N 587 124.837 120.428 4.409 1
1 819 . 19 1 1 A 66 66 PRO HA H 588 4.506 4.548 -0.042 1
1 826 . 19 1 1 A 66 66 PRO CA C 588 62.620 63.271 -0.651 1
1 827 . 19 1 1 A 66 66 PRO CB C 588 32.368 32.407 -0.039 1
1 830 . 19 1 1 A 67 67 VAL H H 589 8.545 8.307 0.238 1
1 831 . 19 1 1 A 67 67 VAL HA H 589 3.136 3.164 -0.028 1
1 839 . 19 1 1 A 67 67 VAL CA C 589 66.588 66.407 0.181 1
1 840 . 19 1 1 A 67 67 VAL CB C 589 30.979 31.236 -0.257 1
1 843 . 19 1 1 A 67 67 VAL N N 589 123.156 123.197 -0.041 1
1 844 . 19 1 1 A 68 68 ALA H H 590 8.700 8.520 0.180 1
1 845 . 19 1 1 A 68 68 ALA HA H 590 3.953 3.970 -0.017 1
1 849 . 19 1 1 A 68 68 ALA CA C 590 54.867 55.537 -0.670 1
1 850 . 19 1 1 A 68 68 ALA CB C 590 18.134 18.518 -0.384 1
1 851 . 19 1 1 A 68 68 ALA N N 590 118.895 122.951 -4.056 1
1 852 . 19 1 1 A 69 69 SER H H 591 6.961 8.011 -1.050 1
1 853 . 19 1 1 A 69 69 SER HA H 591 4.195 4.191 0.004 1
1 856 . 19 1 1 A 69 69 SER CA C 591 60.029 61.538 -1.509 1
1 857 . 19 1 1 A 69 69 SER CB C 591 62.045 63.006 -0.961 1
1 858 . 19 1 1 A 69 69 SER N N 591 111.445 112.531 -1.086 1
1 859 . 19 1 1 A 70 70 ILE H H 592 7.386 8.043 -0.657 1
1 860 . 19 1 1 A 70 70 ILE HA H 592 3.361 3.764 -0.403 1
1 870 . 19 1 1 A 70 70 ILE CA C 592 65.332 63.886 1.446 1
1 871 . 19 1 1 A 70 70 ILE CB C 592 38.427 37.339 1.088 1
1 875 . 19 1 1 A 70 70 ILE N N 592 122.407 121.279 1.128 1
1 876 . 19 1 1 A 71 71 ILE H H 593 8.332 7.864 0.468 1
1 877 . 19 1 1 A 71 71 ILE HA H 593 3.256 3.565 -0.309 1
1 887 . 19 1 1 A 71 71 ILE CA C 593 65.023 64.845 0.178 1
1 888 . 19 1 1 A 71 71 ILE CB C 593 36.662 37.558 -0.896 1
1 892 . 19 1 1 A 71 71 ILE N N 593 117.779 122.289 -4.510 1
1 893 . 19 1 1 A 72 72 THR H H 594 7.834 8.189 -0.355 1
1 894 . 19 1 1 A 72 72 THR HA H 594 3.845 3.832 0.013 1
1 899 . 19 1 1 A 72 72 THR CA C 594 67.376 66.363 1.013 1
1 900 . 19 1 1 A 72 72 THR CB C 594 68.291 68.451 -0.160 1
1 902 . 19 1 1 A 72 72 THR N N 594 117.154 115.062 2.092 1
1 903 . 19 1 1 A 73 73 LYS H H 595 7.803 8.199 -0.396 1
1 904 . 19 1 1 A 73 73 LYS HA H 595 3.936 4.102 -0.166 1
1 913 . 19 1 1 A 73 73 LYS CA C 595 59.853 59.018 0.835 1
1 914 . 19 1 1 A 73 73 LYS CB C 595 32.531 32.398 0.133 1
1 918 . 19 1 1 A 73 73 LYS N N 595 122.657 120.299 2.358 1
1 919 . 19 1 1 A 74 74 LEU H H 596 8.088 7.805 0.283 1
1 920 . 19 1 1 A 74 74 LEU HA H 596 3.681 3.893 -0.212 1
1 930 . 19 1 1 A 74 74 LEU CA C 596 57.217 57.644 -0.427 1
1 931 . 19 1 1 A 74 74 LEU CB C 596 41.122 41.685 -0.563 1
1 935 . 19 1 1 A 74 74 LEU N N 596 119.593 121.360 -1.767 1
1 936 . 19 1 1 A 75 75 ASN H H 597 8.949 8.548 0.401 1
1 937 . 19 1 1 A 75 75 ASN HA H 597 4.471 4.432 0.039 1
1 942 . 19 1 1 A 75 75 ASN CA C 597 54.735 55.591 -0.856 1
1 943 . 19 1 1 A 75 75 ASN CB C 597 37.074 38.157 -1.083 1
1 944 . 19 1 1 A 75 75 ASN N N 597 121.103 117.449 3.654 1
1 946 . 19 1 1 A 76 76 SER H H 598 7.927 7.983 -0.056 1
1 947 . 19 1 1 A 76 76 SER HA H 598 4.137 4.185 -0.048 1
1 950 . 19 1 1 A 76 76 SER CA C 598 60.952 61.278 -0.326 1
1 951 . 19 1 1 A 76 76 SER CB C 598 62.516 62.600 -0.084 1
1 952 . 19 1 1 A 76 76 SER N N 598 116.716 114.190 2.526 1
1 953 . 19 1 1 A 77 77 LEU H H 599 7.543 7.184 0.359 1
1 954 . 19 1 1 A 77 77 LEU HA H 599 3.974 3.917 0.057 1
1 964 . 19 1 1 A 77 77 LEU CA C 599 57.200 57.962 -0.762 1
1 965 . 19 1 1 A 77 77 LEU CB C 599 41.749 41.908 -0.159 1
1 969 . 19 1 1 A 77 77 LEU N N 599 121.292 122.997 -1.705 1
1 970 . 19 1 1 A 78 78 ASN H H 600 7.755 7.929 -0.174 1
1 971 . 19 1 1 A 78 78 ASN HA H 600 4.114 4.274 -0.160 1
1 976 . 19 1 1 A 78 78 ASN CA C 600 53.603 54.642 -1.039 1
1 977 . 19 1 1 A 78 78 ASN CB C 600 37.688 38.404 -0.716 1
1 978 . 19 1 1 A 78 78 ASN N N 600 113.272 117.566 -4.294 1
1 980 . 19 1 1 A 79 79 GLU H H 601 8.389 7.920 0.469 1
1 981 . 19 1 1 A 79 79 GLU HA H 601 4.675 4.446 0.229 1
1 986 . 19 1 1 A 79 79 GLU CA C 601 53.418 54.629 -1.211 1
1 987 . 19 1 1 A 79 79 GLU CB C 601 30.704 29.046 1.658 1
1 989 . 19 1 1 A 79 79 GLU N N 601 118.840 119.722 -0.882 1
1 990 . 19 1 1 A 80 80 PRO HA H 602 4.771 4.636 0.135 1
1 997 . 19 1 1 A 80 80 PRO CA C 602 62.189 63.333 -1.144 1
1 998 . 19 1 1 A 80 80 PRO CB C 602 32.196 32.078 0.118 1
1 1001 . 19 1 1 A 81 81 LEU H H 603 8.539 8.738 -0.199 1
1 1002 . 19 1 1 A 81 81 LEU HA H 603 5.766 5.330 0.436 1
1 1012 . 19 1 1 A 81 81 LEU CA C 603 53.432 53.148 0.284 1
1 1013 . 19 1 1 A 81 81 LEU CB C 603 48.114 45.447 2.667 1
1 1017 . 19 1 1 A 81 81 LEU N N 603 118.455 121.606 -3.151 1
1 1018 . 19 1 1 A 82 82 VAL H H 604 8.322 8.575 -0.253 1
1 1019 . 19 1 1 A 82 82 VAL HA H 604 5.110 4.883 0.227 1
1 1027 . 19 1 1 A 82 82 VAL CA C 604 59.609 60.818 -1.209 1
1 1028 . 19 1 1 A 82 82 VAL CB C 604 34.100 33.691 0.409 1
1 1031 . 19 1 1 A 82 82 VAL N N 604 121.259 120.354 0.905 1
1 1032 . 19 1 1 A 83 83 THR H H 605 8.570 9.009 -0.439 1
1 1033 . 19 1 1 A 83 83 THR HA H 605 5.107 4.788 0.319 1
1 1038 . 19 1 1 A 83 83 THR CA C 605 59.606 60.535 -0.929 1
1 1039 . 19 1 1 A 83 83 THR CB C 605 71.321 70.764 0.557 1
1 1041 . 19 1 1 A 83 83 THR N N 605 117.620 122.284 -4.664 1
1 1042 . 19 1 1 A 84 84 MET H H 606 8.288 8.544 -0.256 1
1 1043 . 19 1 1 A 84 84 MET HA H 606 5.310 4.857 0.453 1
1 1051 . 19 1 1 A 84 84 MET CA C 606 55.491 54.997 0.494 1
1 1052 . 19 1 1 A 84 84 MET CB C 606 31.549 32.217 -0.668 1
1 1055 . 19 1 1 A 84 84 MET N N 606 125.405 122.551 2.854 1
1 1056 . 19 1 1 A 85 85 PRO HA H 607 4.048 4.467 -0.419 1
1 1063 . 19 1 1 A 85 85 PRO CA C 607 63.608 63.442 0.166 1
1 1064 . 19 1 1 A 85 85 PRO CB C 607 31.291 31.884 -0.593 1
1 1067 . 19 1 1 A 86 86 ILE H H 608 8.326 8.616 -0.290 1
1 1068 . 19 1 1 A 86 86 ILE HA H 608 3.423 4.089 -0.666 1
1 1078 . 19 1 1 A 86 86 ILE CA C 608 63.457 64.210 -0.753 1
1 1079 . 19 1 1 A 86 86 ILE CB C 608 35.800 38.760 -2.960 1
1 1083 . 19 1 1 A 86 86 ILE N N 608 133.106 120.281 12.825 1
1 1084 . 19 1 1 A 87 87 GLY H H 609 8.549 7.889 0.660 1
1 1085 . 19 1 1 A 87 87 GLY HA2 H 609 3.448 3.335 0.113 1
1 1086 . 19 1 1 A 87 87 GLY HA3 H 609 4.101 3.417 0.684 1
1 1087 . 19 1 1 A 87 87 GLY CA C 609 44.556 46.348 -1.792 1
1 1088 . 19 1 1 A 87 87 GLY N N 609 111.653 109.383 2.270 1
1 1089 . 19 1 1 A 88 88 TYR H H 610 7.224 8.265 -1.041 1
1 1090 . 19 1 1 A 88 88 TYR HA H 610 4.437 4.886 -0.449 1
1 1097 . 19 1 1 A 88 88 TYR CA C 610 57.670 56.643 1.027 1
1 1098 . 19 1 1 A 88 88 TYR CB C 610 38.604 40.496 -1.892 1
1 1101 . 19 1 1 A 88 88 TYR N N 610 121.537 124.226 -2.689 1
1 1102 . 19 1 1 A 89 89 VAL H H 611 8.953 8.346 0.607 1
1 1103 . 19 1 1 A 89 89 VAL HA H 611 3.065 3.559 -0.494 1
1 1111 . 19 1 1 A 89 89 VAL CA C 611 70.009 66.520 3.489 1
1 1112 . 19 1 1 A 89 89 VAL CB C 611 30.422 31.434 -1.012 1
1 1115 . 19 1 1 A 89 89 VAL N N 611 128.074 122.040 6.034 1
1 1116 . 19 1 1 A 90 90 THR H H 612 9.348 8.041 1.307 1
1 1117 . 19 1 1 A 90 90 THR HA H 612 3.810 4.138 -0.328 1
1 1122 . 19 1 1 A 90 90 THR CA C 612 64.727 65.621 -0.894 1
1 1123 . 19 1 1 A 90 90 THR CB C 612 68.005 68.328 -0.323 1
1 1125 . 19 1 1 A 90 90 THR N N 612 117.972 112.667 5.305 1
1 1126 . 19 1 1 A 91 91 HIS H H 613 7.651 8.076 -0.425 1
1 1127 . 19 1 1 A 91 91 HIS HA H 613 4.685 4.661 0.024 1
1 1131 . 19 1 1 A 91 91 HIS CA C 613 55.419 55.853 -0.434 1
1 1132 . 19 1 1 A 91 91 HIS CB C 613 29.092 29.941 -0.849 1
1 1134 . 19 1 1 A 91 91 HIS N N 613 119.034 117.002 2.032 1
1 1135 . 19 1 1 A 92 92 GLY H H 614 7.655 7.967 -0.312 1
1 1136 . 19 1 1 A 92 92 GLY HA2 H 614 3.665 3.893 -0.228 1
1 1137 . 19 1 1 A 92 92 GLY HA3 H 614 4.095 3.960 0.135 1
1 1138 . 19 1 1 A 92 92 GLY CA C 614 45.035 46.078 -1.043 1
1 1139 . 19 1 1 A 92 92 GLY N N 614 106.031 108.422 -2.391 1
1 1140 . 19 1 1 A 93 93 PHE H H 615 6.716 8.255 -1.539 1
1 1141 . 19 1 1 A 93 93 PHE HA H 615 5.244 4.566 0.678 1
1 1149 . 19 1 1 A 93 93 PHE CA C 615 53.904 58.035 -4.131 1
1 1150 . 19 1 1 A 93 93 PHE CB C 615 38.587 40.624 -2.037 1
1 1154 . 19 1 1 A 93 93 PHE N N 615 116.220 119.177 -2.957 1
1 1155 . 19 1 1 A 94 94 ASN H H 616 9.141 8.790 0.351 1
1 1156 . 19 1 1 A 94 94 ASN HA H 616 4.956 5.003 -0.047 1
1 1161 . 19 1 1 A 94 94 ASN CA C 616 51.278 51.848 -0.570 1
1 1162 . 19 1 1 A 94 94 ASN CB C 616 37.692 40.589 -2.897 1
1 1163 . 19 1 1 A 94 94 ASN N N 616 122.153 120.717 1.436 1
1 1165 . 19 1 1 A 95 95 LEU H H 617 8.684 8.917 -0.233 1
1 1166 . 19 1 1 A 95 95 LEU HA H 617 3.831 4.057 -0.226 1
1 1176 . 19 1 1 A 95 95 LEU CA C 617 58.457 58.881 -0.424 1
1 1177 . 19 1 1 A 95 95 LEU CB C 617 41.985 41.913 0.072 1
1 1181 . 19 1 1 A 95 95 LEU N N 617 119.153 125.984 -6.831 1
1 1182 . 19 1 1 A 96 96 GLU H H 618 7.747 7.899 -0.152 1
1 1183 . 19 1 1 A 96 96 GLU HA H 618 2.864 2.659 0.205 1
1 1188 . 19 1 1 A 96 96 GLU CA C 618 59.402 59.297 0.105 1
1 1189 . 19 1 1 A 96 96 GLU CB C 618 28.323 28.768 -0.445 1
1 1191 . 19 1 1 A 96 96 GLU N N 618 120.199 118.422 1.777 1
1 1192 . 19 1 1 A 97 97 GLU H H 619 8.503 8.140 0.363 1
1 1193 . 19 1 1 A 97 97 GLU HA H 619 3.497 3.956 -0.459 1
1 1198 . 19 1 1 A 97 97 GLU CA C 619 58.251 58.882 -0.631 1
1 1199 . 19 1 1 A 97 97 GLU CB C 619 29.073 29.614 -0.541 1
1 1201 . 19 1 1 A 97 97 GLU N N 619 118.988 118.280 0.708 1
1 1202 . 19 1 1 A 98 98 ALA H H 620 8.311 8.398 -0.087 1
1 1203 . 19 1 1 A 98 98 ALA HA H 620 4.211 4.425 -0.214 1
1 1207 . 19 1 1 A 98 98 ALA CA C 620 54.717 55.297 -0.580 1
1 1208 . 19 1 1 A 98 98 ALA CB C 620 18.635 18.616 0.019 1
1 1209 . 19 1 1 A 98 98 ALA N N 620 121.102 123.018 -1.916 1
1 1210 . 19 1 1 A 99 99 ALA H H 621 8.570 7.977 0.593 1
1 1211 . 19 1 1 A 99 99 ALA HA H 621 3.831 3.727 0.104 1
1 1215 . 19 1 1 A 99 99 ALA CA C 621 55.004 55.004 0.000 1
1 1216 . 19 1 1 A 99 99 ALA CB C 621 18.548 17.848 0.700 1
1 1217 . 19 1 1 A 99 99 ALA N N 621 121.431 119.555 1.876 1
1 1218 . 19 1 1 A 100 100 ARG H H 622 7.646 8.366 -0.720 1
1 1219 . 19 1 1 A 100 100 ARG HA H 622 3.636 4.016 -0.380 1
1 1226 . 19 1 1 A 100 100 ARG CA C 622 59.556 59.422 0.134 1
1 1227 . 19 1 1 A 100 100 ARG CB C 622 29.420 29.898 -0.478 1
1 1230 . 19 1 1 A 100 100 ARG N N 622 114.812 117.270 -2.458 1
1 1231 . 19 1 1 A 101 101 CYS H H 623 7.503 8.305 -0.802 1
1 1232 . 19 1 1 A 101 101 CYS HA H 623 4.081 4.200 -0.119 1
1 1235 . 19 1 1 A 101 101 CYS CA C 623 62.364 62.276 0.088 1
1 1236 . 19 1 1 A 101 101 CYS CB C 623 26.301 27.231 -0.930 1
1 1237 . 19 1 1 A 101 101 CYS N N 623 118.667 119.140 -0.473 1
1 1238 . 19 1 1 A 102 102 MET H H 624 8.332 8.631 -0.299 1
1 1239 . 19 1 1 A 102 102 MET HA H 624 4.165 4.238 -0.073 1
1 1247 . 19 1 1 A 102 102 MET CA C 624 55.808 57.757 -1.949 1
1 1248 . 19 1 1 A 102 102 MET CB C 624 30.500 31.545 -1.045 1
1 1251 . 19 1 1 A 102 102 MET N N 624 119.480 119.303 0.177 1
1 1252 . 19 1 1 A 103 103 ARG H H 625 7.505 7.507 -0.002 1
1 1253 . 19 1 1 A 103 103 ARG HA H 625 4.022 4.215 -0.193 1
1 1260 . 19 1 1 A 103 103 ARG CA C 625 58.658 58.594 0.064 1
1 1261 . 19 1 1 A 103 103 ARG CB C 625 30.413 29.823 0.590 1
1 1264 . 19 1 1 A 103 103 ARG N N 625 120.614 118.735 1.879 1
1 1265 . 19 1 1 A 104 104 SER H H 626 7.635 7.892 -0.257 1
1 1266 . 19 1 1 A 104 104 SER HA H 626 4.278 4.322 -0.044 1
1 1269 . 19 1 1 A 104 104 SER CA C 626 58.925 60.821 -1.896 1
1 1270 . 19 1 1 A 104 104 SER CB C 626 63.785 63.463 0.322 1
1 1271 . 19 1 1 A 104 104 SER N N 626 111.144 114.369 -3.225 1
1 1272 . 19 1 1 A 105 105 LEU H H 627 7.602 7.514 0.088 1
1 1273 . 19 1 1 A 105 105 LEU HA H 627 4.387 4.508 -0.121 1
1 1283 . 19 1 1 A 105 105 LEU CA C 627 55.025 55.703 -0.678 1
1 1284 . 19 1 1 A 105 105 LEU CB C 627 42.360 42.574 -0.214 1
1 1288 . 19 1 1 A 105 105 LEU N N 627 125.064 121.439 3.625 1
1 1289 . 19 1 1 A 106 106 LYS H H 628 9.724 8.643 1.081 1
1 1290 . 19 1 1 A 106 106 LYS HA H 628 4.244 4.590 -0.346 1
1 1299 . 19 1 1 A 106 106 LYS CA C 628 54.781 55.694 -0.913 1
1 1300 . 19 1 1 A 106 106 LYS CB C 628 33.456 33.385 0.071 1
1 1304 . 19 1 1 A 106 106 LYS N N 628 128.616 123.742 4.874 1
1 1305 . 19 1 1 A 107 107 ALA H H 629 6.593 7.485 -0.892 1
1 1306 . 19 1 1 A 107 107 ALA HA H 629 4.420 4.637 -0.217 1
1 1310 . 19 1 1 A 107 107 ALA CA C 629 50.003 50.194 -0.191 1
1 1311 . 19 1 1 A 107 107 ALA CB C 629 17.219 20.223 -3.004 1
1 1312 . 19 1 1 A 107 107 ALA N N 629 124.084 123.349 0.735 1
1 1313 . 19 1 1 A 108 108 PRO HA H 630 4.302 4.718 -0.416 1
1 1320 . 19 1 1 A 108 108 PRO CA C 630 62.816 62.703 0.113 1
1 1321 . 19 1 1 A 108 108 PRO CB C 630 31.743 32.488 -0.745 1
1 1324 . 19 1 1 A 109 109 ALA H H 631 7.898 8.361 -0.463 1
1 1325 . 19 1 1 A 109 109 ALA HA H 631 5.092 4.731 0.361 1
1 1329 . 19 1 1 A 109 109 ALA CA C 631 50.966 51.474 -0.508 1
1 1330 . 19 1 1 A 109 109 ALA CB C 631 22.217 20.426 1.791 1
1 1331 . 19 1 1 A 109 109 ALA N N 631 122.466 122.197 0.269 1
1 1332 . 19 1 1 A 110 110 VAL H H 632 8.071 8.912 -0.841 1
1 1333 . 19 1 1 A 110 110 VAL HA H 632 4.167 4.172 -0.005 1
1 1341 . 19 1 1 A 110 110 VAL CA C 632 61.685 62.819 -1.134 1
1 1342 . 19 1 1 A 110 110 VAL CB C 632 32.856 31.055 1.801 1
1 1345 . 19 1 1 A 110 110 VAL N N 632 125.531 124.388 1.143 1
1 1346 . 19 1 1 A 111 111 VAL H H 633 8.182 8.388 -0.206 1
1 1347 . 19 1 1 A 111 111 VAL HA H 633 4.731 4.458 0.273 1
1 1355 . 19 1 1 A 111 111 VAL CA C 633 59.473 61.920 -2.447 1
1 1356 . 19 1 1 A 111 111 VAL CB C 633 32.919 32.173 0.746 1
1 1359 . 19 1 1 A 111 111 VAL N N 633 128.148 128.730 -0.582 1
1 1360 . 19 1 1 A 112 112 SER H H 634 8.591 8.544 0.047 1
1 1361 . 19 1 1 A 112 112 SER HA H 634 4.920 5.421 -0.501 1
1 1364 . 19 1 1 A 112 112 SER CA C 634 53.905 56.148 -2.243 1
1 1365 . 19 1 1 A 112 112 SER CB C 634 64.651 66.283 -1.632 1
1 1366 . 19 1 1 A 112 112 SER N N 634 119.276 122.580 -3.304 1
1 1367 . 19 1 1 A 113 113 VAL H H 635 8.503 8.125 0.378 1
1 1368 . 19 1 1 A 113 113 VAL HA H 635 4.522 4.601 -0.079 1
1 1376 . 19 1 1 A 113 113 VAL CA C 635 59.398 58.846 0.552 1
1 1377 . 19 1 1 A 113 113 VAL CB C 635 32.548 35.524 -2.976 1
1 1380 . 19 1 1 A 113 113 VAL N N 635 118.886 119.589 -0.703 1
1 1381 . 19 1 1 A 114 114 SER H H 636 8.263 8.827 -0.564 1
1 1382 . 19 1 1 A 114 114 SER HA H 636 3.940 4.500 -0.560 1
1 1385 . 19 1 1 A 114 114 SER CA C 636 61.597 59.800 1.797 1
1 1386 . 19 1 1 A 114 114 SER CB C 636 63.321 64.104 -0.783 1
1 1387 . 19 1 1 A 114 114 SER N N 636 112.710 117.681 -4.971 1
1 1388 . 19 1 1 A 115 115 SER H H 637 7.269 8.055 -0.786 1
1 1389 . 19 1 1 A 115 115 SER HA H 637 4.956 4.978 -0.022 1
1 1392 . 19 1 1 A 115 115 SER CA C 637 55.674 55.779 -0.105 1
1 1393 . 19 1 1 A 115 115 SER CB C 637 64.074 65.821 -1.747 1
1 1394 . 19 1 1 A 115 115 SER N N 637 114.537 114.898 -0.361 1
1 1395 . 19 1 1 A 116 116 PRO HA H 638 4.186 4.348 -0.162 1
1 1402 . 19 1 1 A 116 116 PRO CA C 638 65.021 64.685 0.336 1
1 1403 . 19 1 1 A 116 116 PRO CB C 638 31.908 32.075 -0.167 1
1 1406 . 19 1 1 A 117 117 ASP H H 639 8.161 8.321 -0.160 1
1 1407 . 19 1 1 A 117 117 ASP HA H 639 4.359 4.363 -0.004 1
1 1410 . 19 1 1 A 117 117 ASP CA C 639 55.928 57.606 -1.678 1
1 1411 . 19 1 1 A 117 117 ASP CB C 639 40.088 40.544 -0.456 1
1 1412 . 19 1 1 A 117 117 ASP N N 639 116.310 117.749 -1.439 1
1 1413 . 19 1 1 A 118 118 ALA H H 640 7.596 7.430 0.166 1
1 1414 . 19 1 1 A 118 118 ALA HA H 640 4.225 4.159 0.066 1
1 1418 . 19 1 1 A 118 118 ALA CA C 640 52.964 55.105 -2.141 1
1 1419 . 19 1 1 A 118 118 ALA CB C 640 18.334 18.673 -0.339 1
1 1420 . 19 1 1 A 118 118 ALA N N 640 121.066 122.653 -1.587 1
1 1421 . 19 1 1 A 119 119 VAL H H 641 7.280 7.542 -0.262 1
1 1422 . 19 1 1 A 119 119 VAL HA H 641 3.221 3.515 -0.294 1
1 1430 . 19 1 1 A 119 119 VAL CA C 641 66.608 67.034 -0.426 1
1 1431 . 19 1 1 A 119 119 VAL CB C 641 31.436 31.611 -0.175 1
1 1434 . 19 1 1 A 119 119 VAL N N 641 120.886 119.670 1.216 1
1 1435 . 19 1 1 A 120 120 THR H H 642 7.475 7.648 -0.173 1
1 1436 . 19 1 1 A 120 120 THR HA H 642 3.840 3.954 -0.114 1
1 1441 . 19 1 1 A 120 120 THR CA C 642 65.297 66.337 -1.040 1
1 1442 . 19 1 1 A 120 120 THR CB C 642 68.042 68.241 -0.199 1
1 1444 . 19 1 1 A 120 120 THR N N 642 112.821 115.189 -2.368 1
1 1445 . 19 1 1 A 121 121 THR H H 643 7.328 7.881 -0.553 1
1 1446 . 19 1 1 A 121 121 THR HA H 643 3.477 3.692 -0.215 1
1 1451 . 19 1 1 A 121 121 THR CA C 643 65.341 66.476 -1.135 1
1 1452 . 19 1 1 A 121 121 THR CB C 643 68.196 68.339 -0.143 1
1 1454 . 19 1 1 A 121 121 THR N N 643 119.194 117.346 1.848 1
1 1455 . 19 1 1 A 122 122 TYR H H 644 8.766 8.418 0.348 1
1 1456 . 19 1 1 A 122 122 TYR HA H 644 3.764 4.330 -0.566 1
1 1463 . 19 1 1 A 122 122 TYR CA C 644 62.340 61.682 0.658 1
1 1464 . 19 1 1 A 122 122 TYR CB C 644 39.106 38.586 0.520 1
1 1467 . 19 1 1 A 122 122 TYR N N 644 122.838 121.935 0.903 1
1 1468 . 19 1 1 A 123 123 ASN H H 645 8.290 8.691 -0.401 1
1 1469 . 19 1 1 A 123 123 ASN HA H 645 4.299 4.497 -0.198 1
1 1474 . 19 1 1 A 123 123 ASN CA C 645 55.018 56.093 -1.075 1
1 1475 . 19 1 1 A 123 123 ASN CB C 645 36.967 37.921 -0.954 1
1 1476 . 19 1 1 A 123 123 ASN N N 645 116.356 117.660 -1.304 1
1 1478 . 19 1 1 A 124 124 GLY H H 646 7.768 8.252 -0.484 1
1 1479 . 19 1 1 A 124 124 GLY HA2 H 646 3.639 3.561 0.078 1
1 1480 . 19 1 1 A 124 124 GLY HA3 H 646 3.707 3.687 0.020 1
1 1481 . 19 1 1 A 124 124 GLY CA C 646 46.521 47.107 -0.586 1
1 1482 . 19 1 1 A 124 124 GLY N N 646 108.260 108.879 -0.619 1
1 1483 . 19 1 1 A 125 125 TYR H H 647 7.386 7.811 -0.425 1
1 1484 . 19 1 1 A 125 125 TYR HA H 647 4.608 4.539 0.069 1
1 1491 . 19 1 1 A 125 125 TYR CA C 647 57.204 59.911 -2.707 1
1 1492 . 19 1 1 A 125 125 TYR CB C 647 37.557 37.459 0.098 1
1 1495 . 19 1 1 A 125 125 TYR N N 647 120.587 121.346 -0.759 1
1 1496 . 19 1 1 A 126 126 LEU H H 648 7.802 7.723 0.079 1
1 1497 . 19 1 1 A 126 126 LEU HA H 648 3.801 4.014 -0.213 1
1 1507 . 19 1 1 A 126 126 LEU CA C 648 56.663 58.045 -1.382 1
1 1508 . 19 1 1 A 126 126 LEU CB C 648 42.298 42.248 0.050 1
1 1512 . 19 1 1 A 126 126 LEU N N 648 119.234 118.865 0.369 1
1 1513 . 19 1 1 A 127 127 THR H H 649 7.473 7.141 0.332 1
1 1514 . 19 1 1 A 127 127 THR HA H 649 4.238 4.586 -0.348 1
1 1519 . 19 1 1 A 127 127 THR CA C 649 61.868 61.318 0.550 1
1 1520 . 19 1 1 A 127 127 THR CB C 649 69.451 69.694 -0.243 1
1 1522 . 19 1 1 A 127 127 THR N N 649 108.633 110.039 -1.406 1
1 1523 . 19 1 1 A 128 128 SER H H 650 7.696 8.312 -0.616 1
1 1524 . 19 1 1 A 128 128 SER HA H 650 4.439 4.807 -0.368 1
1 1527 . 19 1 1 A 128 128 SER CA C 650 58.451 57.073 1.378 1
1 1528 . 19 1 1 A 128 128 SER CB C 650 63.763 64.213 -0.450 1
1 1529 . 19 1 1 A 128 128 SER N N 650 117.667 118.204 -0.537 1
1 1 . 20 1 1 A 2 2 SER HA H -3 4.607 4.424 0.183 1
1 4 . 20 1 1 A 2 2 SER C C -3 174.489 174.151 0.338 1
1 5 . 20 1 1 A 2 2 SER CA C -3 56.994 58.174 -1.180 1
1 6 . 20 1 1 A 2 2 SER CB C -3 64.641 64.143 0.498 1
1 7 . 20 1 1 A 2 2 SER N N -3 115.970 114.670 1.300 1
1 8 . 20 1 1 A 3 3 HIS H H -2 8.138 8.368 -0.230 1
1 9 . 20 1 1 A 3 3 HIS HA H -2 4.558 4.138 0.420 1
1 13 . 20 1 1 A 3 3 HIS C C -2 176.502 174.625 1.877 1
1 14 . 20 1 1 A 3 3 HIS CA C -2 56.164 55.949 0.215 1
1 15 . 20 1 1 A 3 3 HIS CB C -2 30.643 28.331 2.312 1
1 17 . 20 1 1 A 3 3 HIS N N -2 122.640 121.615 1.025 1
1 39 . 20 1 1 A 6 6 THR H H 528 7.755 8.721 -0.966 1
1 40 . 20 1 1 A 6 6 THR HA H 528 5.155 4.792 0.363 1
1 45 . 20 1 1 A 6 6 THR C C 528 174.544 174.456 0.088 1
1 46 . 20 1 1 A 6 6 THR CA C 528 60.657 62.944 -2.287 1
1 47 . 20 1 1 A 6 6 THR CB C 528 68.218 69.941 -1.723 1
1 49 . 20 1 1 A 6 6 THR N N 528 118.293 115.660 2.633 1
1 50 . 20 1 1 A 7 7 VAL H H 529 8.966 8.685 0.281 1
1 51 . 20 1 1 A 7 7 VAL HA H 529 4.240 4.806 -0.566 1
1 59 . 20 1 1 A 7 7 VAL C C 529 174.012 175.122 -1.110 1
1 60 . 20 1 1 A 7 7 VAL CA C 529 58.309 58.837 -0.528 1
1 61 . 20 1 1 A 7 7 VAL CB C 529 35.661 35.142 0.519 1
1 64 . 20 1 1 A 7 7 VAL N N 529 121.381 119.014 2.367 1
1 65 . 20 1 1 A 8 8 SER H H 530 8.193 8.278 -0.085 1
1 66 . 20 1 1 A 8 8 SER HA H 530 4.825 4.799 0.026 1
1 69 . 20 1 1 A 8 8 SER C C 530 172.908 174.836 -1.928 1
1 70 . 20 1 1 A 8 8 SER CA C 530 55.790 57.481 -1.691 1
1 71 . 20 1 1 A 8 8 SER CB C 530 62.800 63.496 -0.696 1
1 72 . 20 1 1 A 8 8 SER N N 530 113.044 114.668 -1.624 1
1 73 . 20 1 1 A 9 9 TRP H H 531 7.595 7.304 0.291 1
1 74 . 20 1 1 A 9 9 TRP HA H 531 5.353 4.694 0.659 1
1 83 . 20 1 1 A 9 9 TRP C C 531 177.031 176.318 0.713 1
1 84 . 20 1 1 A 9 9 TRP CA C 531 51.902 57.599 -5.697 1
1 85 . 20 1 1 A 9 9 TRP CB C 531 32.848 30.144 2.704 1
1 91 . 20 1 1 A 9 9 TRP N N 531 124.627 124.556 0.071 1
1 93 . 20 1 1 A 10 10 ASN H H 532 9.312 8.709 0.603 1
1 94 . 20 1 1 A 10 10 ASN HA H 532 4.601 5.071 -0.470 1
1 99 . 20 1 1 A 10 10 ASN C C 532 175.214 175.819 -0.605 1
1 100 . 20 1 1 A 10 10 ASN CA C 532 51.428 51.491 -0.063 1
1 101 . 20 1 1 A 10 10 ASN CB C 532 38.140 39.234 -1.094 1
1 102 . 20 1 1 A 10 10 ASN N N 532 121.842 119.274 2.568 1
1 104 . 20 1 1 A 11 11 LEU H H 533 8.503 8.819 -0.316 1
1 105 . 20 1 1 A 11 11 LEU HA H 533 4.086 4.190 -0.104 1
1 115 . 20 1 1 A 11 11 LEU C C 533 178.309 178.778 -0.469 1
1 116 . 20 1 1 A 11 11 LEU CA C 533 58.491 58.093 0.398 1
1 117 . 20 1 1 A 11 11 LEU CB C 533 41.525 41.511 0.014 1
1 121 . 20 1 1 A 11 11 LEU N N 533 119.723 120.746 -1.023 1
1 122 . 20 1 1 A 12 12 ARG H H 534 8.057 8.370 -0.313 1
1 123 . 20 1 1 A 12 12 ARG HA H 534 3.840 4.005 -0.165 1
1 130 . 20 1 1 A 12 12 ARG C C 534 179.597 179.424 0.173 1
1 131 . 20 1 1 A 12 12 ARG CA C 534 59.873 59.760 0.113 1
1 132 . 20 1 1 A 12 12 ARG CB C 534 29.076 30.156 -1.080 1
1 135 . 20 1 1 A 12 12 ARG N N 534 117.711 120.214 -2.503 1
1 136 . 20 1 1 A 13 13 GLU H H 535 8.342 8.499 -0.157 1
1 137 . 20 1 1 A 13 13 GLU HA H 535 3.724 3.974 -0.250 1
1 142 . 20 1 1 A 13 13 GLU C C 535 179.948 179.594 0.354 1
1 143 . 20 1 1 A 13 13 GLU CA C 535 58.753 59.271 -0.518 1
1 144 . 20 1 1 A 13 13 GLU CB C 535 29.402 29.219 0.183 1
1 146 . 20 1 1 A 13 13 GLU N N 535 121.501 120.160 1.341 1
1 147 . 20 1 1 A 14 14 MET H H 536 8.684 8.443 0.241 1
1 148 . 20 1 1 A 14 14 MET HA H 536 3.945 4.354 -0.409 1
1 156 . 20 1 1 A 14 14 MET C C 536 177.364 178.894 -1.530 1
1 157 . 20 1 1 A 14 14 MET CA C 536 60.550 58.900 1.650 1
1 158 . 20 1 1 A 14 14 MET CB C 536 34.412 33.085 1.327 1
1 161 . 20 1 1 A 14 14 MET N N 536 120.565 120.006 0.559 1
1 162 . 20 1 1 A 15 15 LEU H H 537 8.731 8.649 0.082 1
1 163 . 20 1 1 A 15 15 LEU HA H 537 3.970 4.120 -0.150 1
1 173 . 20 1 1 A 15 15 LEU C C 537 178.544 179.004 -0.460 1
1 174 . 20 1 1 A 15 15 LEU CA C 537 57.723 58.084 -0.361 1
1 175 . 20 1 1 A 15 15 LEU CB C 537 41.396 41.721 -0.325 1
1 179 . 20 1 1 A 15 15 LEU N N 537 118.710 119.631 -0.921 1
1 180 . 20 1 1 A 16 16 ALA H H 538 7.816 8.579 -0.763 1
1 181 . 20 1 1 A 16 16 ALA HA H 538 4.026 4.125 -0.099 1
1 185 . 20 1 1 A 16 16 ALA C C 538 180.374 179.234 1.140 1
1 186 . 20 1 1 A 16 16 ALA CA C 538 54.734 54.965 -0.231 1
1 187 . 20 1 1 A 16 16 ALA CB C 538 17.670 18.372 -0.702 1
1 188 . 20 1 1 A 16 16 ALA N N 538 120.155 120.818 -0.663 1
1 189 . 20 1 1 A 17 17 HIS H H 539 7.715 8.489 -0.774 1
1 190 . 20 1 1 A 17 17 HIS HA H 539 4.180 4.158 0.022 1
1 194 . 20 1 1 A 17 17 HIS C C 539 179.167 176.578 2.589 1
1 195 . 20 1 1 A 17 17 HIS CA C 539 59.392 59.828 -0.436 1
1 196 . 20 1 1 A 17 17 HIS CB C 539 29.094 29.821 -0.727 1
1 198 . 20 1 1 A 17 17 HIS N N 539 117.446 118.006 -0.560 1
1 199 . 20 1 1 A 18 18 ALA H H 540 8.995 8.580 0.415 1
1 200 . 20 1 1 A 18 18 ALA HA H 540 3.656 3.946 -0.290 1
1 204 . 20 1 1 A 18 18 ALA C C 540 180.803 179.783 1.020 1
1 205 . 20 1 1 A 18 18 ALA CA C 540 55.762 55.342 0.420 1
1 206 . 20 1 1 A 18 18 ALA CB C 540 18.380 18.529 -0.149 1
1 207 . 20 1 1 A 18 18 ALA N N 540 124.222 121.088 3.134 1
1 208 . 20 1 1 A 19 19 GLU H H 541 8.840 8.173 0.667 1
1 209 . 20 1 1 A 19 19 GLU HA H 541 3.695 4.084 -0.389 1
1 214 . 20 1 1 A 19 19 GLU C C 541 178.479 178.803 -0.324 1
1 215 . 20 1 1 A 19 19 GLU CA C 541 59.695 58.764 0.931 1
1 216 . 20 1 1 A 19 19 GLU CB C 541 29.740 29.083 0.657 1
1 218 . 20 1 1 A 19 19 GLU N N 541 121.086 118.964 2.122 1
1 219 . 20 1 1 A 20 20 GLU H H 542 7.649 8.085 -0.436 1
1 220 . 20 1 1 A 20 20 GLU HA H 542 3.980 4.111 -0.131 1
1 225 . 20 1 1 A 20 20 GLU C C 542 178.212 179.208 -0.996 1
1 226 . 20 1 1 A 20 20 GLU CA C 542 58.593 58.631 -0.038 1
1 227 . 20 1 1 A 20 20 GLU CB C 542 30.293 30.148 0.145 1
1 229 . 20 1 1 A 20 20 GLU N N 542 117.027 119.550 -2.523 1
1 230 . 20 1 1 A 21 21 THR H H 543 7.588 8.093 -0.505 1
1 231 . 20 1 1 A 21 21 THR HA H 543 4.105 4.118 -0.013 1
1 236 . 20 1 1 A 21 21 THR C C 543 175.320 174.923 0.397 1
1 237 . 20 1 1 A 21 21 THR CA C 543 62.110 62.877 -0.767 1
1 238 . 20 1 1 A 21 21 THR CB C 543 70.747 69.654 1.093 1
1 240 . 20 1 1 A 21 21 THR N N 543 105.058 111.706 -6.648 1
1 241 . 20 1 1 A 22 22 ARG H H 544 7.678 7.429 0.249 1
1 242 . 20 1 1 A 22 22 ARG HA H 544 3.925 4.072 -0.147 1
1 249 . 20 1 1 A 22 22 ARG C C 544 175.207 175.527 -0.320 1
1 250 . 20 1 1 A 22 22 ARG CA C 544 55.996 57.707 -1.711 1
1 251 . 20 1 1 A 22 22 ARG CB C 544 24.959 27.740 -2.781 1
1 254 . 20 1 1 A 22 22 ARG N N 544 116.694 116.152 0.542 1
1 255 . 20 1 1 A 23 23 LYS H H 545 6.931 7.452 -0.521 1
1 256 . 20 1 1 A 23 23 LYS HA H 545 4.169 4.346 -0.177 1
1 265 . 20 1 1 A 23 23 LYS C C 545 174.855 176.270 -1.415 1
1 266 . 20 1 1 A 23 23 LYS CA C 545 56.339 56.253 0.086 1
1 267 . 20 1 1 A 23 23 LYS CB C 545 36.104 34.038 2.066 1
1 271 . 20 1 1 A 23 23 LYS N N 545 117.744 119.439 -1.695 1
1 272 . 20 1 1 A 24 24 LEU H H 546 7.898 8.325 -0.427 1
1 273 . 20 1 1 A 24 24 LEU HA H 546 4.487 4.662 -0.175 1
1 283 . 20 1 1 A 24 24 LEU C C 546 175.730 175.351 0.379 1
1 284 . 20 1 1 A 24 24 LEU CA C 546 54.171 55.444 -1.273 1
1 285 . 20 1 1 A 24 24 LEU CB C 546 43.228 42.859 0.369 1
1 289 . 20 1 1 A 24 24 LEU N N 546 122.692 122.948 -0.256 1
1 290 . 20 1 1 A 25 25 MET H H 547 8.767 8.756 0.011 1
1 291 . 20 1 1 A 25 25 MET HA H 547 5.728 4.969 0.759 1
1 299 . 20 1 1 A 25 25 MET CA C 547 51.900 53.270 -1.370 1
1 300 . 20 1 1 A 25 25 MET CB C 547 34.876 35.632 -0.756 1
1 303 . 20 1 1 A 25 25 MET N N 547 126.346 125.166 1.180 1
1 304 . 20 1 1 A 26 26 PRO HA H 548 5.994 5.326 0.668 1
1 311 . 20 1 1 A 26 26 PRO C C 548 176.241 176.292 -0.051 1
1 312 . 20 1 1 A 26 26 PRO CA C 548 61.285 62.689 -1.404 1
1 313 . 20 1 1 A 26 26 PRO CB C 548 32.260 32.725 -0.465 1
1 316 . 20 1 1 A 27 27 ILE H H 549 9.054 8.896 0.158 1
1 317 . 20 1 1 A 27 27 ILE HA H 549 4.284 4.616 -0.332 1
1 327 . 20 1 1 A 27 27 ILE C C 549 173.407 174.898 -1.491 1
1 328 . 20 1 1 A 27 27 ILE CA C 549 57.503 59.584 -2.081 1
1 329 . 20 1 1 A 27 27 ILE CB C 549 41.581 41.242 0.339 1
1 333 . 20 1 1 A 27 27 ILE N N 549 126.281 122.024 4.257 1
1 334 . 20 1 1 A 28 28 CYS H H 550 8.459 8.671 -0.212 1
1 335 . 20 1 1 A 28 28 CYS HA H 550 3.704 3.368 0.336 1
1 339 . 20 1 1 A 28 28 CYS C C 550 174.180 175.530 -1.350 1
1 340 . 20 1 1 A 28 28 CYS CA C 550 56.873 58.481 -1.608 1
1 341 . 20 1 1 A 28 28 CYS CB C 550 27.537 27.532 0.005 1
1 342 . 20 1 1 A 28 28 CYS N N 550 125.844 126.219 -0.375 1
1 343 . 20 1 1 A 29 29 MET H H 551 8.782 8.512 0.270 1
1 344 . 20 1 1 A 29 29 MET HA H 551 4.637 4.295 0.342 1
1 352 . 20 1 1 A 29 29 MET C C 551 174.613 177.324 -2.711 1
1 353 . 20 1 1 A 29 29 MET CA C 551 56.871 57.084 -0.213 1
1 354 . 20 1 1 A 29 29 MET CB C 551 34.394 32.184 2.210 1
1 357 . 20 1 1 A 29 29 MET N N 551 127.467 125.674 1.793 1
1 358 . 20 1 1 A 30 30 ASP H H 552 7.308 7.713 -0.405 1
1 359 . 20 1 1 A 30 30 ASP HA H 552 4.562 4.452 0.110 1
1 362 . 20 1 1 A 30 30 ASP C C 552 175.386 175.879 -0.493 1
1 363 . 20 1 1 A 30 30 ASP CA C 552 54.371 55.346 -0.975 1
1 364 . 20 1 1 A 30 30 ASP CB C 552 41.751 40.392 1.359 1
1 365 . 20 1 1 A 30 30 ASP N N 552 117.209 119.628 -2.419 1
1 366 . 20 1 1 A 31 31 VAL H H 553 7.257 7.383 -0.126 1
1 367 . 20 1 1 A 31 31 VAL HA H 553 4.057 4.172 -0.115 1
1 375 . 20 1 1 A 31 31 VAL C C 553 175.729 176.013 -0.284 1
1 376 . 20 1 1 A 31 31 VAL CA C 553 61.834 61.398 0.436 1
1 377 . 20 1 1 A 31 31 VAL CB C 553 30.034 32.804 -2.770 1
1 380 . 20 1 1 A 31 31 VAL N N 553 120.645 118.947 1.698 1
1 381 . 20 1 1 A 32 32 ARG H H 554 8.412 8.661 -0.249 1
1 382 . 20 1 1 A 32 32 ARG HA H 554 3.794 3.967 -0.173 1
1 389 . 20 1 1 A 32 32 ARG C C 554 178.819 177.975 0.844 1
1 390 . 20 1 1 A 32 32 ARG CA C 554 59.725 59.904 -0.179 1
1 391 . 20 1 1 A 32 32 ARG CB C 554 29.537 29.979 -0.442 1
1 394 . 20 1 1 A 32 32 ARG N N 554 130.554 128.750 1.804 1
1 395 . 20 1 1 A 33 33 ALA H H 555 9.094 7.948 1.146 1
1 396 . 20 1 1 A 33 33 ALA HA H 555 4.081 4.078 0.003 1
1 400 . 20 1 1 A 33 33 ALA C C 555 180.716 179.946 0.770 1
1 401 . 20 1 1 A 33 33 ALA CA C 555 55.002 55.181 -0.179 1
1 402 . 20 1 1 A 33 33 ALA CB C 555 18.462 18.509 -0.047 1
1 403 . 20 1 1 A 33 33 ALA N N 555 119.862 121.069 -1.207 1
1 404 . 20 1 1 A 34 34 ILE H H 556 6.620 7.812 -1.192 1
1 405 . 20 1 1 A 34 34 ILE HA H 556 3.745 3.609 0.136 1
1 415 . 20 1 1 A 34 34 ILE C C 556 177.540 177.816 -0.276 1
1 416 . 20 1 1 A 34 34 ILE CA C 556 64.101 65.142 -1.041 1
1 417 . 20 1 1 A 34 34 ILE CB C 556 38.397 38.099 0.298 1
1 421 . 20 1 1 A 34 34 ILE N N 556 116.216 117.770 -1.554 1
1 422 . 20 1 1 A 35 35 MET H H 557 7.619 8.378 -0.759 1
1 423 . 20 1 1 A 35 35 MET HA H 557 4.249 4.188 0.061 1
1 431 . 20 1 1 A 35 35 MET C C 557 178.737 178.231 0.506 1
1 432 . 20 1 1 A 35 35 MET CA C 557 56.113 58.632 -2.519 1
1 433 . 20 1 1 A 35 35 MET CB C 557 29.490 32.353 -2.863 1
1 436 . 20 1 1 A 35 35 MET N N 557 118.017 117.992 0.025 1
1 437 . 20 1 1 A 36 36 ALA H H 558 8.410 8.180 0.230 1
1 438 . 20 1 1 A 36 36 ALA HA H 558 4.084 4.057 0.027 1
1 442 . 20 1 1 A 36 36 ALA C C 558 180.632 179.409 1.223 1
1 443 . 20 1 1 A 36 36 ALA CA C 558 55.024 54.985 0.039 1
1 444 . 20 1 1 A 36 36 ALA CB C 558 17.698 18.260 -0.562 1
1 445 . 20 1 1 A 36 36 ALA N N 558 121.592 121.369 0.223 1
1 446 . 20 1 1 A 37 37 THR H H 559 7.294 7.750 -0.456 1
1 447 . 20 1 1 A 37 37 THR HA H 559 3.858 3.926 -0.068 1
1 452 . 20 1 1 A 37 37 THR C C 559 176.419 176.814 -0.395 1
1 453 . 20 1 1 A 37 37 THR CA C 559 66.590 67.050 -0.460 1
1 454 . 20 1 1 A 37 37 THR CB C 559 68.001 68.230 -0.229 1
1 456 . 20 1 1 A 37 37 THR N N 559 115.835 115.056 0.779 1
1 457 . 20 1 1 A 38 38 ILE H H 560 8.109 7.995 0.114 1
1 458 . 20 1 1 A 38 38 ILE HA H 560 3.698 3.838 -0.140 1
1 468 . 20 1 1 A 38 38 ILE C C 560 176.934 179.267 -2.333 1
1 469 . 20 1 1 A 38 38 ILE CA C 560 65.952 64.931 1.021 1
1 470 . 20 1 1 A 38 38 ILE CB C 560 38.252 37.627 0.625 1
1 474 . 20 1 1 A 38 38 ILE N N 560 121.886 121.562 0.324 1
1 475 . 20 1 1 A 39 39 GLN H H 561 8.425 8.537 -0.112 1
1 476 . 20 1 1 A 39 39 GLN HA H 561 3.809 4.296 -0.487 1
1 483 . 20 1 1 A 39 39 GLN C C 561 177.126 178.966 -1.840 1
1 484 . 20 1 1 A 39 39 GLN CA C 561 58.751 58.084 0.667 1
1 485 . 20 1 1 A 39 39 GLN CB C 561 29.255 28.657 0.598 1
1 487 . 20 1 1 A 39 39 GLN N N 561 116.211 117.823 -1.612 1
1 489 . 20 1 1 A 40 40 ARG H H 562 7.334 7.942 -0.608 1
1 490 . 20 1 1 A 40 40 ARG HA H 562 4.092 4.097 -0.005 1
1 497 . 20 1 1 A 40 40 ARG C C 562 177.186 178.884 -1.698 1
1 498 . 20 1 1 A 40 40 ARG CA C 562 57.837 59.304 -1.467 1
1 499 . 20 1 1 A 40 40 ARG CB C 562 30.668 29.939 0.729 1
1 502 . 20 1 1 A 40 40 ARG N N 562 116.464 120.535 -4.071 1
1 503 . 20 1 1 A 41 41 LYS H H 563 7.802 7.430 0.372 1
1 504 . 20 1 1 A 41 41 LYS HA H 563 3.926 4.025 -0.099 1
1 513 . 20 1 1 A 41 41 LYS C C 563 176.735 176.567 0.168 1
1 514 . 20 1 1 A 41 41 LYS CA C 563 57.866 58.541 -0.675 1
1 515 . 20 1 1 A 41 41 LYS CB C 563 33.314 32.680 0.634 1
1 519 . 20 1 1 A 41 41 LYS N N 563 118.658 119.423 -0.765 1
1 520 . 20 1 1 A 42 42 TYR H H 564 8.208 8.606 -0.398 1
1 521 . 20 1 1 A 42 42 TYR HA H 564 4.786 5.353 -0.567 1
1 528 . 20 1 1 A 42 42 TYR C C 564 174.346 176.355 -2.009 1
1 529 . 20 1 1 A 42 42 TYR CA C 564 55.497 55.952 -0.455 1
1 530 . 20 1 1 A 42 42 TYR CB C 564 36.075 38.496 -2.421 1
1 533 . 20 1 1 A 42 42 TYR N N 564 121.157 117.253 3.904 1
1 534 . 20 1 1 A 43 43 LYS H H 565 7.212 8.110 -0.898 1
1 535 . 20 1 1 A 43 43 LYS HA H 565 4.081 4.210 -0.129 1
1 544 . 20 1 1 A 43 43 LYS C C 565 179.082 178.652 0.430 1
1 545 . 20 1 1 A 43 43 LYS CA C 565 58.075 59.649 -1.574 1
1 546 . 20 1 1 A 43 43 LYS CB C 565 32.157 31.909 0.248 1
1 550 . 20 1 1 A 43 43 LYS N N 565 119.412 122.977 -3.565 1
1 551 . 20 1 1 A 44 44 GLY H H 566 9.179 8.117 1.062 1
1 552 . 20 1 1 A 44 44 GLY HA2 H 566 3.607 3.949 -0.342 1
1 553 . 20 1 1 A 44 44 GLY HA3 H 566 4.252 4.033 0.219 1
1 554 . 20 1 1 A 44 44 GLY C C 566 173.990 173.659 0.331 1
1 555 . 20 1 1 A 44 44 GLY CA C 566 44.860 45.757 -0.897 1
1 556 . 20 1 1 A 44 44 GLY N N 566 114.958 106.243 8.715 1
1 557 . 20 1 1 A 45 45 ILE H H 567 7.604 7.056 0.548 1
1 558 . 20 1 1 A 45 45 ILE HA H 567 2.533 4.211 -1.678 1
1 568 . 20 1 1 A 45 45 ILE C C 567 172.893 174.802 -1.909 1
1 569 . 20 1 1 A 45 45 ILE CA C 567 61.754 60.174 1.580 1
1 570 . 20 1 1 A 45 45 ILE CB C 567 38.302 39.801 -1.499 1
1 574 . 20 1 1 A 45 45 ILE N N 567 122.496 120.904 1.592 1
1 575 . 20 1 1 A 46 46 LYS H H 568 7.733 8.571 -0.838 1
1 576 . 20 1 1 A 46 46 LYS HA H 568 4.307 4.755 -0.448 1
1 585 . 20 1 1 A 46 46 LYS C C 568 174.772 175.892 -1.120 1
1 586 . 20 1 1 A 46 46 LYS CA C 568 54.069 55.107 -1.038 1
1 587 . 20 1 1 A 46 46 LYS CB C 568 31.741 34.200 -2.459 1
1 591 . 20 1 1 A 46 46 LYS N N 568 128.712 124.887 3.825 1
1 592 . 20 1 1 A 47 47 ILE H H 569 8.081 8.332 -0.251 1
1 593 . 20 1 1 A 47 47 ILE HA H 569 3.166 3.833 -0.667 1
1 603 . 20 1 1 A 47 47 ILE CA C 569 61.564 60.748 0.816 1
1 604 . 20 1 1 A 47 47 ILE CB C 569 36.718 37.328 -0.610 1
1 608 . 20 1 1 A 47 47 ILE N N 569 124.424 123.553 0.871 1
1 609 . 20 1 1 A 48 48 GLN H H 570 6.700 8.760 -2.060 1
1 610 . 20 1 1 A 48 48 GLN HA H 570 4.205 4.828 -0.623 1
1 617 . 20 1 1 A 48 48 GLN CA C 570 53.129 53.999 -0.870 1
1 618 . 20 1 1 A 48 48 GLN CB C 570 31.211 31.657 -0.446 1
1 620 . 20 1 1 A 48 48 GLN N N 570 122.748 125.833 -3.085 1
1 622 . 20 1 1 A 49 49 GLU H H 571 8.218 8.727 -0.509 1
1 623 . 20 1 1 A 49 49 GLU HA H 571 3.727 4.117 -0.390 1
1 628 . 20 1 1 A 49 49 GLU CA C 571 57.976 58.232 -0.256 1
1 629 . 20 1 1 A 49 49 GLU CB C 571 30.954 29.230 1.724 1
1 631 . 20 1 1 A 49 49 GLU N N 571 116.531 122.587 -6.056 1
1 632 . 20 1 1 A 50 50 GLY H H 572 8.967 8.597 0.370 1
1 633 . 20 1 1 A 50 50 GLY HA2 H 572 2.810 4.231 -1.421 1
1 634 . 20 1 1 A 50 50 GLY HA3 H 572 4.198 4.314 -0.116 1
1 635 . 20 1 1 A 50 50 GLY CA C 572 43.607 44.094 -0.487 1
1 636 . 20 1 1 A 50 50 GLY N N 572 111.469 110.961 0.508 1
1 637 . 20 1 1 A 51 51 ILE H H 573 8.410 8.611 -0.201 1
1 638 . 20 1 1 A 51 51 ILE HA H 573 4.916 4.692 0.224 1
1 648 . 20 1 1 A 51 51 ILE CA C 573 61.137 61.844 -0.707 1
1 649 . 20 1 1 A 51 51 ILE CB C 573 38.165 37.864 0.301 1
1 653 . 20 1 1 A 51 51 ILE N N 573 120.591 121.800 -1.209 1
1 654 . 20 1 1 A 52 52 VAL H H 574 8.900 9.176 -0.276 1
1 655 . 20 1 1 A 52 52 VAL HA H 574 4.073 4.667 -0.594 1
1 663 . 20 1 1 A 52 52 VAL CA C 574 62.516 61.956 0.560 1
1 664 . 20 1 1 A 52 52 VAL CB C 574 35.957 34.447 1.510 1
1 667 . 20 1 1 A 52 52 VAL N N 574 131.435 128.011 3.424 1
1 668 . 20 1 1 A 53 53 ASP H H 575 8.731 9.196 -0.465 1
1 669 . 20 1 1 A 53 53 ASP HA H 575 4.953 4.857 0.096 1
1 672 . 20 1 1 A 53 53 ASP CA C 575 52.137 53.763 -1.626 1
1 673 . 20 1 1 A 53 53 ASP CB C 575 40.659 40.715 -0.056 1
1 674 . 20 1 1 A 53 53 ASP N N 575 126.463 128.934 -2.471 1
1 675 . 20 1 1 A 54 54 TYR H H 576 8.639 8.809 -0.170 1
1 676 . 20 1 1 A 54 54 TYR HA H 576 4.407 4.909 -0.502 1
1 683 . 20 1 1 A 54 54 TYR CA C 576 57.833 57.730 0.103 1
1 684 . 20 1 1 A 54 54 TYR CB C 576 38.634 40.689 -2.055 1
1 687 . 20 1 1 A 54 54 TYR N N 576 131.097 126.910 4.187 1
1 688 . 20 1 1 A 55 55 GLY H H 577 8.388 8.882 -0.494 1
1 689 . 20 1 1 A 55 55 GLY HA2 H 577 3.056 3.733 -0.677 1
1 690 . 20 1 1 A 55 55 GLY HA3 H 577 4.307 3.870 0.437 1
1 691 . 20 1 1 A 55 55 GLY CA C 577 46.347 47.014 -0.667 1
1 692 . 20 1 1 A 55 55 GLY N N 577 115.719 116.707 -0.988 1
1 693 . 20 1 1 A 56 56 VAL H H 578 7.143 7.258 -0.115 1
1 694 . 20 1 1 A 56 56 VAL HA H 578 3.410 3.967 -0.557 1
1 702 . 20 1 1 A 56 56 VAL CA C 578 60.335 61.729 -1.394 1
1 703 . 20 1 1 A 56 56 VAL CB C 578 35.027 32.206 2.821 1
1 706 . 20 1 1 A 56 56 VAL N N 578 124.853 124.036 0.817 1
1 707 . 20 1 1 A 57 57 ARG H H 579 8.091 7.758 0.333 1
1 708 . 20 1 1 A 57 57 ARG HA H 579 4.292 4.517 -0.225 1
1 715 . 20 1 1 A 57 57 ARG CA C 579 55.039 55.550 -0.511 1
1 716 . 20 1 1 A 57 57 ARG CB C 579 29.224 30.826 -1.602 1
1 719 . 20 1 1 A 57 57 ARG N N 579 124.754 126.361 -1.607 1
1 720 . 20 1 1 A 58 58 PHE H H 580 8.499 9.172 -0.673 1
1 721 . 20 1 1 A 58 58 PHE HA H 580 4.647 5.054 -0.407 1
1 729 . 20 1 1 A 58 58 PHE CA C 580 57.563 56.737 0.826 1
1 730 . 20 1 1 A 58 58 PHE CB C 580 42.026 40.983 1.043 1
1 734 . 20 1 1 A 58 58 PHE N N 580 124.105 124.566 -0.461 1
1 735 . 20 1 1 A 59 59 PHE H H 581 7.683 8.709 -1.026 1
1 736 . 20 1 1 A 59 59 PHE HA H 581 4.689 5.157 -0.468 1
1 743 . 20 1 1 A 59 59 PHE CA C 581 56.662 56.638 0.024 1
1 744 . 20 1 1 A 59 59 PHE CB C 581 41.024 40.940 0.084 1
1 747 . 20 1 1 A 59 59 PHE N N 581 119.707 122.826 -3.119 1
1 748 . 20 1 1 A 60 60 PHE H H 582 8.898 8.832 0.066 1
1 749 . 20 1 1 A 60 60 PHE HA H 582 5.563 5.006 0.557 1
1 757 . 20 1 1 A 60 60 PHE CA C 582 57.615 57.225 0.390 1
1 758 . 20 1 1 A 60 60 PHE CB C 582 39.539 40.403 -0.864 1
1 762 . 20 1 1 A 60 60 PHE N N 582 127.157 126.336 0.821 1
1 763 . 20 1 1 A 61 61 TYR H H 583 8.441 8.514 -0.073 1
1 764 . 20 1 1 A 61 61 TYR HA H 583 5.301 5.359 -0.058 1
1 771 . 20 1 1 A 61 61 TYR CA C 583 54.556 55.544 -0.988 1
1 772 . 20 1 1 A 61 61 TYR CB C 583 41.444 41.144 0.300 1
1 775 . 20 1 1 A 61 61 TYR N N 583 119.072 118.812 0.260 1
1 776 . 20 1 1 A 62 62 THR H H 584 9.444 8.518 0.926 1
1 777 . 20 1 1 A 62 62 THR HA H 584 4.680 4.813 -0.133 1
1 782 . 20 1 1 A 62 62 THR CA C 584 59.784 59.785 -0.001 1
1 783 . 20 1 1 A 62 62 THR CB C 584 71.274 71.704 -0.430 1
1 785 . 20 1 1 A 62 62 THR N N 584 113.469 112.995 0.474 1
1 786 . 20 1 1 A 63 63 SER H H 585 9.092 9.147 -0.055 1
1 787 . 20 1 1 A 63 63 SER HA H 585 4.685 3.533 1.152 1
1 790 . 20 1 1 A 63 63 SER CA C 585 59.665 61.186 -1.521 1
1 791 . 20 1 1 A 63 63 SER CB C 585 62.835 62.681 0.154 1
1 792 . 20 1 1 A 63 63 SER N N 585 114.155 119.527 -5.372 1
1 793 . 20 1 1 A 64 64 LYS H H 586 7.484 7.739 -0.255 1
1 794 . 20 1 1 A 64 64 LYS HA H 586 4.074 4.300 -0.226 1
1 803 . 20 1 1 A 64 64 LYS CA C 586 55.960 58.743 -2.783 1
1 804 . 20 1 1 A 64 64 LYS CB C 586 32.662 33.007 -0.345 1
1 808 . 20 1 1 A 64 64 LYS N N 586 118.230 118.388 -0.158 1
1 809 . 20 1 1 A 65 65 GLU H H 587 7.194 7.560 -0.366 1
1 810 . 20 1 1 A 65 65 GLU HA H 587 4.584 4.497 0.087 1
1 815 . 20 1 1 A 65 65 GLU CA C 587 53.443 54.608 -1.165 1
1 816 . 20 1 1 A 65 65 GLU CB C 587 30.381 30.761 -0.380 1
1 818 . 20 1 1 A 65 65 GLU N N 587 124.837 120.963 3.874 1
1 819 . 20 1 1 A 66 66 PRO HA H 588 4.506 4.544 -0.038 1
1 826 . 20 1 1 A 66 66 PRO CA C 588 62.620 63.210 -0.590 1
1 827 . 20 1 1 A 66 66 PRO CB C 588 32.368 32.542 -0.174 1
1 830 . 20 1 1 A 67 67 VAL H H 589 8.545 8.267 0.278 1
1 831 . 20 1 1 A 67 67 VAL HA H 589 3.136 3.060 0.076 1
1 839 . 20 1 1 A 67 67 VAL CA C 589 66.588 66.619 -0.031 1
1 840 . 20 1 1 A 67 67 VAL CB C 589 30.979 31.353 -0.374 1
1 843 . 20 1 1 A 67 67 VAL N N 589 123.156 123.009 0.147 1
1 844 . 20 1 1 A 68 68 ALA H H 590 8.700 8.455 0.245 1
1 845 . 20 1 1 A 68 68 ALA HA H 590 3.953 3.946 0.007 1
1 849 . 20 1 1 A 68 68 ALA CA C 590 54.867 55.648 -0.781 1
1 850 . 20 1 1 A 68 68 ALA CB C 590 18.134 18.219 -0.085 1
1 851 . 20 1 1 A 68 68 ALA N N 590 118.895 122.663 -3.768 1
1 852 . 20 1 1 A 69 69 SER H H 591 6.961 7.987 -1.026 1
1 853 . 20 1 1 A 69 69 SER HA H 591 4.195 4.187 0.008 1
1 856 . 20 1 1 A 69 69 SER CA C 591 60.029 61.539 -1.510 1
1 857 . 20 1 1 A 69 69 SER CB C 591 62.045 63.028 -0.983 1
1 858 . 20 1 1 A 69 69 SER N N 591 111.445 112.952 -1.507 1
1 859 . 20 1 1 A 70 70 ILE H H 592 7.386 8.029 -0.643 1
1 860 . 20 1 1 A 70 70 ILE HA H 592 3.361 3.762 -0.401 1
1 870 . 20 1 1 A 70 70 ILE CA C 592 65.332 64.601 0.731 1
1 871 . 20 1 1 A 70 70 ILE CB C 592 38.427 37.629 0.798 1
1 875 . 20 1 1 A 70 70 ILE N N 592 122.407 121.175 1.232 1
1 876 . 20 1 1 A 71 71 ILE H H 593 8.332 8.296 0.036 1
1 877 . 20 1 1 A 71 71 ILE HA H 593 3.256 3.541 -0.285 1
1 887 . 20 1 1 A 71 71 ILE CA C 593 65.023 65.025 -0.002 1
1 888 . 20 1 1 A 71 71 ILE CB C 593 36.662 37.732 -1.070 1
1 892 . 20 1 1 A 71 71 ILE N N 593 117.779 121.498 -3.719 1
1 893 . 20 1 1 A 72 72 THR H H 594 7.834 8.027 -0.193 1
1 894 . 20 1 1 A 72 72 THR HA H 594 3.845 3.880 -0.035 1
1 899 . 20 1 1 A 72 72 THR CA C 594 67.376 66.722 0.654 1
1 900 . 20 1 1 A 72 72 THR CB C 594 68.291 68.463 -0.172 1
1 902 . 20 1 1 A 72 72 THR N N 594 117.154 114.723 2.431 1
1 903 . 20 1 1 A 73 73 LYS H H 595 7.803 7.820 -0.017 1
1 904 . 20 1 1 A 73 73 LYS HA H 595 3.936 3.996 -0.060 1
1 913 . 20 1 1 A 73 73 LYS CA C 595 59.853 59.306 0.547 1
1 914 . 20 1 1 A 73 73 LYS CB C 595 32.531 32.436 0.095 1
1 918 . 20 1 1 A 73 73 LYS N N 595 122.657 120.303 2.354 1
1 919 . 20 1 1 A 74 74 LEU H H 596 8.088 8.026 0.062 1
1 920 . 20 1 1 A 74 74 LEU HA H 596 3.681 3.880 -0.199 1
1 930 . 20 1 1 A 74 74 LEU CA C 596 57.217 57.665 -0.448 1
1 931 . 20 1 1 A 74 74 LEU CB C 596 41.122 41.132 -0.010 1
1 935 . 20 1 1 A 74 74 LEU N N 596 119.593 121.432 -1.839 1
1 936 . 20 1 1 A 75 75 ASN H H 597 8.949 8.509 0.440 1
1 937 . 20 1 1 A 75 75 ASN HA H 597 4.471 4.425 0.046 1
1 942 . 20 1 1 A 75 75 ASN CA C 597 54.735 55.978 -1.243 1
1 943 . 20 1 1 A 75 75 ASN CB C 597 37.074 37.583 -0.509 1
1 944 . 20 1 1 A 75 75 ASN N N 597 121.103 118.035 3.068 1
1 946 . 20 1 1 A 76 76 SER H H 598 7.927 8.374 -0.447 1
1 947 . 20 1 1 A 76 76 SER HA H 598 4.137 4.183 -0.046 1
1 950 . 20 1 1 A 76 76 SER CA C 598 60.952 61.307 -0.355 1
1 951 . 20 1 1 A 76 76 SER CB C 598 62.516 62.563 -0.047 1
1 952 . 20 1 1 A 76 76 SER N N 598 116.716 115.597 1.119 1
1 953 . 20 1 1 A 77 77 LEU H H 599 7.543 7.081 0.462 1
1 954 . 20 1 1 A 77 77 LEU HA H 599 3.974 3.944 0.030 1
1 964 . 20 1 1 A 77 77 LEU CA C 599 57.200 57.377 -0.177 1
1 965 . 20 1 1 A 77 77 LEU CB C 599 41.749 41.786 -0.037 1
1 969 . 20 1 1 A 77 77 LEU N N 599 121.292 122.201 -0.909 1
1 970 . 20 1 1 A 78 78 ASN H H 600 7.755 8.224 -0.469 1
1 971 . 20 1 1 A 78 78 ASN HA H 600 4.114 4.282 -0.168 1
1 976 . 20 1 1 A 78 78 ASN CA C 600 53.603 54.624 -1.021 1
1 977 . 20 1 1 A 78 78 ASN CB C 600 37.688 38.258 -0.570 1
1 978 . 20 1 1 A 78 78 ASN N N 600 113.272 117.550 -4.278 1
1 980 . 20 1 1 A 79 79 GLU H H 601 8.389 7.969 0.420 1
1 981 . 20 1 1 A 79 79 GLU HA H 601 4.675 4.503 0.172 1
1 986 . 20 1 1 A 79 79 GLU CA C 601 53.418 54.529 -1.111 1
1 987 . 20 1 1 A 79 79 GLU CB C 601 30.704 29.177 1.527 1
1 989 . 20 1 1 A 79 79 GLU N N 601 118.840 119.333 -0.493 1
1 990 . 20 1 1 A 80 80 PRO HA H 602 4.771 4.940 -0.169 1
1 997 . 20 1 1 A 80 80 PRO CA C 602 62.189 62.589 -0.400 1
1 998 . 20 1 1 A 80 80 PRO CB C 602 32.196 31.782 0.414 1
1 1001 . 20 1 1 A 81 81 LEU H H 603 8.539 8.883 -0.344 1
1 1002 . 20 1 1 A 81 81 LEU HA H 603 5.766 4.906 0.860 1
1 1012 . 20 1 1 A 81 81 LEU CA C 603 53.432 53.423 0.009 1
1 1013 . 20 1 1 A 81 81 LEU CB C 603 48.114 43.509 4.605 1
1 1017 . 20 1 1 A 81 81 LEU N N 603 118.455 124.009 -5.554 1
1 1018 . 20 1 1 A 82 82 VAL H H 604 8.322 8.654 -0.332 1
1 1019 . 20 1 1 A 82 82 VAL HA H 604 5.110 4.766 0.344 1
1 1027 . 20 1 1 A 82 82 VAL CA C 604 59.609 61.481 -1.872 1
1 1028 . 20 1 1 A 82 82 VAL CB C 604 34.100 32.495 1.605 1
1 1031 . 20 1 1 A 82 82 VAL N N 604 121.259 119.983 1.276 1
1 1032 . 20 1 1 A 83 83 THR H H 605 8.570 8.861 -0.291 1
1 1033 . 20 1 1 A 83 83 THR HA H 605 5.107 4.886 0.221 1
1 1038 . 20 1 1 A 83 83 THR CA C 605 59.606 60.055 -0.449 1
1 1039 . 20 1 1 A 83 83 THR CB C 605 71.321 71.764 -0.443 1
1 1041 . 20 1 1 A 83 83 THR N N 605 117.620 121.407 -3.787 1
1 1042 . 20 1 1 A 84 84 MET H H 606 8.288 8.700 -0.412 1
1 1043 . 20 1 1 A 84 84 MET HA H 606 5.310 4.587 0.723 1
1 1051 . 20 1 1 A 84 84 MET CA C 606 55.491 55.489 0.002 1
1 1052 . 20 1 1 A 84 84 MET CB C 606 31.549 32.260 -0.711 1
1 1055 . 20 1 1 A 84 84 MET N N 606 125.405 123.856 1.549 1
1 1056 . 20 1 1 A 85 85 PRO HA H 607 4.048 4.493 -0.445 1
1 1063 . 20 1 1 A 85 85 PRO CA C 607 63.608 63.084 0.524 1
1 1064 . 20 1 1 A 85 85 PRO CB C 607 31.291 32.505 -1.214 1
1 1067 . 20 1 1 A 86 86 ILE H H 608 8.326 8.565 -0.239 1
1 1068 . 20 1 1 A 86 86 ILE HA H 608 3.423 3.947 -0.524 1
1 1078 . 20 1 1 A 86 86 ILE CA C 608 63.457 64.044 -0.587 1
1 1079 . 20 1 1 A 86 86 ILE CB C 608 35.800 38.372 -2.572 1
1 1083 . 20 1 1 A 86 86 ILE N N 608 133.106 120.549 12.557 1
1 1084 . 20 1 1 A 87 87 GLY H H 609 8.549 7.993 0.556 1
1 1085 . 20 1 1 A 87 87 GLY HA2 H 609 3.448 3.505 -0.057 1
1 1086 . 20 1 1 A 87 87 GLY HA3 H 609 4.101 3.507 0.594 1
1 1087 . 20 1 1 A 87 87 GLY CA C 609 44.556 46.353 -1.797 1
1 1088 . 20 1 1 A 87 87 GLY N N 609 111.653 109.277 2.376 1
1 1089 . 20 1 1 A 88 88 TYR H H 610 7.224 8.726 -1.502 1
1 1090 . 20 1 1 A 88 88 TYR HA H 610 4.437 4.914 -0.477 1
1 1097 . 20 1 1 A 88 88 TYR CA C 610 57.670 56.609 1.061 1
1 1098 . 20 1 1 A 88 88 TYR CB C 610 38.604 40.555 -1.951 1
1 1101 . 20 1 1 A 88 88 TYR N N 610 121.537 124.014 -2.477 1
1 1102 . 20 1 1 A 89 89 VAL H H 611 8.953 7.834 1.119 1
1 1103 . 20 1 1 A 89 89 VAL HA H 611 3.065 3.575 -0.510 1
1 1111 . 20 1 1 A 89 89 VAL CA C 611 70.009 65.795 4.214 1
1 1112 . 20 1 1 A 89 89 VAL CB C 611 30.422 31.107 -0.685 1
1 1115 . 20 1 1 A 89 89 VAL N N 611 128.074 119.899 8.175 1
1 1116 . 20 1 1 A 90 90 THR H H 612 9.348 8.259 1.089 1
1 1117 . 20 1 1 A 90 90 THR HA H 612 3.810 3.988 -0.178 1
1 1122 . 20 1 1 A 90 90 THR CA C 612 64.727 65.477 -0.750 1
1 1123 . 20 1 1 A 90 90 THR CB C 612 68.005 67.845 0.160 1
1 1125 . 20 1 1 A 90 90 THR N N 612 117.972 114.350 3.622 1
1 1126 . 20 1 1 A 91 91 HIS H H 613 7.651 7.605 0.046 1
1 1127 . 20 1 1 A 91 91 HIS HA H 613 4.685 4.468 0.217 1
1 1131 . 20 1 1 A 91 91 HIS CA C 613 55.419 56.287 -0.868 1
1 1132 . 20 1 1 A 91 91 HIS CB C 613 29.092 29.806 -0.714 1
1 1134 . 20 1 1 A 91 91 HIS N N 613 119.034 117.732 1.302 1
1 1135 . 20 1 1 A 92 92 GLY H H 614 7.655 7.985 -0.330 1
1 1136 . 20 1 1 A 92 92 GLY HA2 H 614 3.665 3.911 -0.246 1
1 1137 . 20 1 1 A 92 92 GLY HA3 H 614 4.095 3.953 0.142 1
1 1138 . 20 1 1 A 92 92 GLY CA C 614 45.035 47.034 -1.999 1
1 1139 . 20 1 1 A 92 92 GLY N N 614 106.031 109.053 -3.022 1
1 1140 . 20 1 1 A 93 93 PHE H H 615 6.716 7.440 -0.724 1
1 1141 . 20 1 1 A 93 93 PHE HA H 615 5.244 5.005 0.239 1
1 1149 . 20 1 1 A 93 93 PHE CA C 615 53.904 56.726 -2.822 1
1 1150 . 20 1 1 A 93 93 PHE CB C 615 38.587 43.078 -4.491 1
1 1154 . 20 1 1 A 93 93 PHE N N 615 116.220 118.029 -1.809 1
1 1155 . 20 1 1 A 94 94 ASN H H 616 9.141 8.908 0.233 1
1 1156 . 20 1 1 A 94 94 ASN HA H 616 4.956 5.118 -0.162 1
1 1161 . 20 1 1 A 94 94 ASN CA C 616 51.278 53.174 -1.896 1
1 1162 . 20 1 1 A 94 94 ASN CB C 616 37.692 39.319 -1.627 1
1 1163 . 20 1 1 A 94 94 ASN N N 616 122.153 120.416 1.737 1
1 1165 . 20 1 1 A 95 95 LEU H H 617 8.684 8.881 -0.197 1
1 1166 . 20 1 1 A 95 95 LEU HA H 617 3.831 3.781 0.050 1
1 1176 . 20 1 1 A 95 95 LEU CA C 617 58.457 58.114 0.343 1
1 1177 . 20 1 1 A 95 95 LEU CB C 617 41.985 41.180 0.805 1
1 1181 . 20 1 1 A 95 95 LEU N N 617 119.153 126.514 -7.361 1
1 1182 . 20 1 1 A 96 96 GLU H H 618 7.747 8.141 -0.394 1
1 1183 . 20 1 1 A 96 96 GLU HA H 618 2.864 2.984 -0.120 1
1 1188 . 20 1 1 A 96 96 GLU CA C 618 59.402 58.874 0.528 1
1 1189 . 20 1 1 A 96 96 GLU CB C 618 28.323 28.693 -0.370 1
1 1191 . 20 1 1 A 96 96 GLU N N 618 120.199 118.861 1.338 1
1 1192 . 20 1 1 A 97 97 GLU H H 619 8.503 8.021 0.482 1
1 1193 . 20 1 1 A 97 97 GLU HA H 619 3.497 3.899 -0.402 1
1 1198 . 20 1 1 A 97 97 GLU CA C 619 58.251 59.347 -1.096 1
1 1199 . 20 1 1 A 97 97 GLU CB C 619 29.073 29.208 -0.135 1
1 1201 . 20 1 1 A 97 97 GLU N N 619 118.988 117.817 1.171 1
1 1202 . 20 1 1 A 98 98 ALA H H 620 8.311 8.525 -0.214 1
1 1203 . 20 1 1 A 98 98 ALA HA H 620 4.211 4.558 -0.347 1
1 1207 . 20 1 1 A 98 98 ALA CA C 620 54.717 55.240 -0.523 1
1 1208 . 20 1 1 A 98 98 ALA CB C 620 18.635 18.340 0.295 1
1 1209 . 20 1 1 A 98 98 ALA N N 620 121.102 123.411 -2.309 1
1 1210 . 20 1 1 A 99 99 ALA H H 621 8.570 8.070 0.500 1
1 1211 . 20 1 1 A 99 99 ALA HA H 621 3.831 4.060 -0.229 1
1 1215 . 20 1 1 A 99 99 ALA CA C 621 55.004 55.194 -0.190 1
1 1216 . 20 1 1 A 99 99 ALA CB C 621 18.548 17.996 0.552 1
1 1217 . 20 1 1 A 99 99 ALA N N 621 121.431 119.751 1.680 1
1 1218 . 20 1 1 A 100 100 ARG H H 622 7.646 8.295 -0.649 1
1 1219 . 20 1 1 A 100 100 ARG HA H 622 3.636 4.028 -0.392 1
1 1226 . 20 1 1 A 100 100 ARG CA C 622 59.556 59.754 -0.198 1
1 1227 . 20 1 1 A 100 100 ARG CB C 622 29.420 30.084 -0.664 1
1 1230 . 20 1 1 A 100 100 ARG N N 622 114.812 117.323 -2.511 1
1 1231 . 20 1 1 A 101 101 CYS H H 623 7.503 8.744 -1.241 1
1 1232 . 20 1 1 A 101 101 CYS HA H 623 4.081 4.225 -0.144 1
1 1235 . 20 1 1 A 101 101 CYS CA C 623 62.364 62.679 -0.315 1
1 1236 . 20 1 1 A 101 101 CYS CB C 623 26.301 26.743 -0.442 1
1 1237 . 20 1 1 A 101 101 CYS N N 623 118.667 118.979 -0.312 1
1 1238 . 20 1 1 A 102 102 MET H H 624 8.332 8.382 -0.050 1
1 1239 . 20 1 1 A 102 102 MET HA H 624 4.165 4.292 -0.127 1
1 1247 . 20 1 1 A 102 102 MET CA C 624 55.808 57.411 -1.603 1
1 1248 . 20 1 1 A 102 102 MET CB C 624 30.500 31.332 -0.832 1
1 1251 . 20 1 1 A 102 102 MET N N 624 119.480 119.290 0.190 1
1 1252 . 20 1 1 A 103 103 ARG H H 625 7.505 7.642 -0.137 1
1 1253 . 20 1 1 A 103 103 ARG HA H 625 4.022 4.221 -0.199 1
1 1260 . 20 1 1 A 103 103 ARG CA C 625 58.658 58.896 -0.238 1
1 1261 . 20 1 1 A 103 103 ARG CB C 625 30.413 30.088 0.325 1
1 1264 . 20 1 1 A 103 103 ARG N N 625 120.614 118.976 1.638 1
1 1265 . 20 1 1 A 104 104 SER H H 626 7.635 7.831 -0.196 1
1 1266 . 20 1 1 A 104 104 SER HA H 626 4.278 4.433 -0.155 1
1 1269 . 20 1 1 A 104 104 SER CA C 626 58.925 59.938 -1.013 1
1 1270 . 20 1 1 A 104 104 SER CB C 626 63.785 64.005 -0.220 1
1 1271 . 20 1 1 A 104 104 SER N N 626 111.144 112.593 -1.449 1
1 1272 . 20 1 1 A 105 105 LEU H H 627 7.602 7.704 -0.102 1
1 1273 . 20 1 1 A 105 105 LEU HA H 627 4.387 4.674 -0.287 1
1 1283 . 20 1 1 A 105 105 LEU CA C 627 55.025 55.459 -0.434 1
1 1284 . 20 1 1 A 105 105 LEU CB C 627 42.360 42.804 -0.444 1
1 1288 . 20 1 1 A 105 105 LEU N N 627 125.064 122.477 2.587 1
1 1289 . 20 1 1 A 106 106 LYS H H 628 9.724 8.546 1.178 1
1 1290 . 20 1 1 A 106 106 LYS HA H 628 4.244 4.606 -0.362 1
1 1299 . 20 1 1 A 106 106 LYS CA C 628 54.781 55.658 -0.877 1
1 1300 . 20 1 1 A 106 106 LYS CB C 628 33.456 33.588 -0.132 1
1 1304 . 20 1 1 A 106 106 LYS N N 628 128.616 123.777 4.839 1
1 1305 . 20 1 1 A 107 107 ALA H H 629 6.593 7.439 -0.846 1
1 1306 . 20 1 1 A 107 107 ALA HA H 629 4.420 4.557 -0.137 1
1 1310 . 20 1 1 A 107 107 ALA CA C 629 50.003 50.984 -0.981 1
1 1311 . 20 1 1 A 107 107 ALA CB C 629 17.219 18.497 -1.278 1
1 1312 . 20 1 1 A 107 107 ALA N N 629 124.084 123.895 0.189 1
1 1313 . 20 1 1 A 108 108 PRO HA H 630 4.302 4.675 -0.373 1
1 1320 . 20 1 1 A 108 108 PRO CA C 630 62.816 62.758 0.058 1
1 1321 . 20 1 1 A 108 108 PRO CB C 630 31.743 32.455 -0.712 1
1 1324 . 20 1 1 A 109 109 ALA H H 631 7.898 8.317 -0.419 1
1 1325 . 20 1 1 A 109 109 ALA HA H 631 5.092 4.820 0.272 1
1 1329 . 20 1 1 A 109 109 ALA CA C 631 50.966 51.388 -0.422 1
1 1330 . 20 1 1 A 109 109 ALA CB C 631 22.217 23.139 -0.922 1
1 1331 . 20 1 1 A 109 109 ALA N N 631 122.466 121.185 1.281 1
1 1332 . 20 1 1 A 110 110 VAL H H 632 8.071 8.794 -0.723 1
1 1333 . 20 1 1 A 110 110 VAL HA H 632 4.167 4.409 -0.242 1
1 1341 . 20 1 1 A 110 110 VAL CA C 632 61.685 61.761 -0.076 1
1 1342 . 20 1 1 A 110 110 VAL CB C 632 32.856 32.005 0.851 1
1 1345 . 20 1 1 A 110 110 VAL N N 632 125.531 121.570 3.961 1
1 1346 . 20 1 1 A 111 111 VAL H H 633 8.182 8.625 -0.443 1
1 1347 . 20 1 1 A 111 111 VAL HA H 633 4.731 4.919 -0.188 1
1 1355 . 20 1 1 A 111 111 VAL CA C 633 59.473 61.027 -1.554 1
1 1356 . 20 1 1 A 111 111 VAL CB C 633 32.919 33.184 -0.265 1
1 1359 . 20 1 1 A 111 111 VAL N N 633 128.148 129.085 -0.937 1
1 1360 . 20 1 1 A 112 112 SER H H 634 8.591 8.504 0.087 1
1 1361 . 20 1 1 A 112 112 SER HA H 634 4.920 4.938 -0.018 1
1 1364 . 20 1 1 A 112 112 SER CA C 634 53.905 56.811 -2.906 1
1 1365 . 20 1 1 A 112 112 SER CB C 634 64.651 64.636 0.015 1
1 1366 . 20 1 1 A 112 112 SER N N 634 119.276 118.724 0.552 1
1 1367 . 20 1 1 A 113 113 VAL H H 635 8.503 8.173 0.330 1
1 1368 . 20 1 1 A 113 113 VAL HA H 635 4.522 4.483 0.039 1
1 1376 . 20 1 1 A 113 113 VAL CA C 635 59.398 59.088 0.310 1
1 1377 . 20 1 1 A 113 113 VAL CB C 635 32.548 35.770 -3.222 1
1 1380 . 20 1 1 A 113 113 VAL N N 635 118.886 119.446 -0.560 1
1 1381 . 20 1 1 A 114 114 SER H H 636 8.263 8.868 -0.605 1
1 1382 . 20 1 1 A 114 114 SER HA H 636 3.940 4.612 -0.672 1
1 1385 . 20 1 1 A 114 114 SER CA C 636 61.597 58.849 2.748 1
1 1386 . 20 1 1 A 114 114 SER CB C 636 63.321 63.923 -0.602 1
1 1387 . 20 1 1 A 114 114 SER N N 636 112.710 116.840 -4.130 1
1 1388 . 20 1 1 A 115 115 SER H H 637 7.269 7.452 -0.183 1
1 1389 . 20 1 1 A 115 115 SER HA H 637 4.956 4.982 -0.026 1
1 1392 . 20 1 1 A 115 115 SER CA C 637 55.674 55.859 -0.185 1
1 1393 . 20 1 1 A 115 115 SER CB C 637 64.074 65.375 -1.301 1
1 1394 . 20 1 1 A 115 115 SER N N 637 114.537 111.996 2.541 1
1 1395 . 20 1 1 A 116 116 PRO HA H 638 4.186 4.422 -0.236 1
1 1402 . 20 1 1 A 116 116 PRO CA C 638 65.021 64.791 0.230 1
1 1403 . 20 1 1 A 116 116 PRO CB C 638 31.908 32.042 -0.134 1
1 1406 . 20 1 1 A 117 117 ASP H H 639 8.161 8.311 -0.150 1
1 1407 . 20 1 1 A 117 117 ASP HA H 639 4.359 4.324 0.035 1
1 1410 . 20 1 1 A 117 117 ASP CA C 639 55.928 57.626 -1.698 1
1 1411 . 20 1 1 A 117 117 ASP CB C 639 40.088 40.491 -0.403 1
1 1412 . 20 1 1 A 117 117 ASP N N 639 116.310 117.820 -1.510 1
1 1413 . 20 1 1 A 118 118 ALA H H 640 7.596 7.894 -0.298 1
1 1414 . 20 1 1 A 118 118 ALA HA H 640 4.225 4.253 -0.028 1
1 1418 . 20 1 1 A 118 118 ALA CA C 640 52.964 54.548 -1.584 1
1 1419 . 20 1 1 A 118 118 ALA CB C 640 18.334 18.491 -0.157 1
1 1420 . 20 1 1 A 118 118 ALA N N 640 121.066 121.849 -0.783 1
1 1421 . 20 1 1 A 119 119 VAL H H 641 7.280 7.843 -0.563 1
1 1422 . 20 1 1 A 119 119 VAL HA H 641 3.221 3.508 -0.287 1
1 1430 . 20 1 1 A 119 119 VAL CA C 641 66.608 67.129 -0.521 1
1 1431 . 20 1 1 A 119 119 VAL CB C 641 31.436 31.722 -0.286 1
1 1434 . 20 1 1 A 119 119 VAL N N 641 120.886 119.809 1.077 1
1 1435 . 20 1 1 A 120 120 THR H H 642 7.475 8.076 -0.601 1
1 1436 . 20 1 1 A 120 120 THR HA H 642 3.840 3.848 -0.008 1
1 1441 . 20 1 1 A 120 120 THR CA C 642 65.297 65.667 -0.370 1
1 1442 . 20 1 1 A 120 120 THR CB C 642 68.042 68.381 -0.339 1
1 1444 . 20 1 1 A 120 120 THR N N 642 112.821 115.706 -2.885 1
1 1445 . 20 1 1 A 121 121 THR H H 643 7.328 7.754 -0.426 1
1 1446 . 20 1 1 A 121 121 THR HA H 643 3.477 3.673 -0.196 1
1 1451 . 20 1 1 A 121 121 THR CA C 643 65.341 66.512 -1.171 1
1 1452 . 20 1 1 A 121 121 THR CB C 643 68.196 68.434 -0.238 1
1 1454 . 20 1 1 A 121 121 THR N N 643 119.194 117.049 2.145 1
1 1455 . 20 1 1 A 122 122 TYR H H 644 8.766 8.414 0.352 1
1 1456 . 20 1 1 A 122 122 TYR HA H 644 3.764 4.226 -0.462 1
1 1463 . 20 1 1 A 122 122 TYR CA C 644 62.340 61.770 0.570 1
1 1464 . 20 1 1 A 122 122 TYR CB C 644 39.106 38.465 0.641 1
1 1467 . 20 1 1 A 122 122 TYR N N 644 122.838 121.372 1.466 1
1 1468 . 20 1 1 A 123 123 ASN H H 645 8.290 8.669 -0.379 1
1 1469 . 20 1 1 A 123 123 ASN HA H 645 4.299 4.354 -0.055 1
1 1474 . 20 1 1 A 123 123 ASN CA C 645 55.018 56.058 -1.040 1
1 1475 . 20 1 1 A 123 123 ASN CB C 645 36.967 37.808 -0.841 1
1 1476 . 20 1 1 A 123 123 ASN N N 645 116.356 118.137 -1.781 1
1 1478 . 20 1 1 A 124 124 GLY H H 646 7.768 8.310 -0.542 1
1 1479 . 20 1 1 A 124 124 GLY HA2 H 646 3.639 3.760 -0.121 1
1 1480 . 20 1 1 A 124 124 GLY HA3 H 646 3.707 3.862 -0.155 1
1 1481 . 20 1 1 A 124 124 GLY CA C 646 46.521 46.265 0.256 1
1 1482 . 20 1 1 A 124 124 GLY N N 646 108.260 107.843 0.417 1
1 1483 . 20 1 1 A 125 125 TYR H H 647 7.386 7.534 -0.148 1
1 1484 . 20 1 1 A 125 125 TYR HA H 647 4.608 4.455 0.153 1
1 1491 . 20 1 1 A 125 125 TYR CA C 647 57.204 59.254 -2.050 1
1 1492 . 20 1 1 A 125 125 TYR CB C 647 37.557 39.601 -2.044 1
1 1495 . 20 1 1 A 125 125 TYR N N 647 120.587 120.669 -0.082 1
1 1496 . 20 1 1 A 126 126 LEU H H 648 7.802 7.867 -0.065 1
1 1497 . 20 1 1 A 126 126 LEU HA H 648 3.801 3.755 0.046 1
1 1507 . 20 1 1 A 126 126 LEU CA C 648 56.663 58.253 -1.590 1
1 1508 . 20 1 1 A 126 126 LEU CB C 648 42.298 42.053 0.245 1
1 1512 . 20 1 1 A 126 126 LEU N N 648 119.234 120.476 -1.242 1
1 1513 . 20 1 1 A 127 127 THR H H 649 7.473 7.942 -0.469 1
1 1514 . 20 1 1 A 127 127 THR HA H 649 4.238 4.012 0.226 1
1 1519 . 20 1 1 A 127 127 THR CA C 649 61.868 65.358 -3.490 1
1 1520 . 20 1 1 A 127 127 THR CB C 649 69.451 68.730 0.721 1
1 1522 . 20 1 1 A 127 127 THR N N 649 108.633 111.119 -2.486 1
1 1523 . 20 1 1 A 128 128 SER H H 650 7.696 7.977 -0.281 1
1 1524 . 20 1 1 A 128 128 SER HA H 650 4.439 4.212 0.227 1
1 1527 . 20 1 1 A 128 128 SER CA C 650 58.451 59.447 -0.996 1
1 1528 . 20 1 1 A 128 128 SER CB C 650 63.763 61.908 1.855 1
1 1529 . 20 1 1 A 128 128 SER N N 650 117.667 115.551 2.116 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 42 1.201 1
2 1 1 1 "RMS(OBS, PRED)" CA 125 1.278 1
3 1 1 1 "RMS(OBS, PRED)" CB 119 1.213 1
4 1 1 1 "RMS(OBS, PRED)" H 118 0.584 1
5 1 1 1 "RMS(OBS, PRED)" HA 131 0.359 1
6 1 1 1 "RMS(OBS, PRED)" N 119 3.014 1
7 1 2 1 "RMS(OBS, PRED)" C 42 1.123 1
8 1 2 1 "RMS(OBS, PRED)" CA 125 1.312 1
9 1 2 1 "RMS(OBS, PRED)" CB 119 1.213 1
10 1 2 1 "RMS(OBS, PRED)" H 118 0.595 1
11 1 2 1 "RMS(OBS, PRED)" HA 131 0.433 1
12 1 2 1 "RMS(OBS, PRED)" N 119 3.036 1
13 1 3 1 "RMS(OBS, PRED)" C 42 1.359 1
14 1 3 1 "RMS(OBS, PRED)" CA 125 1.330 1
15 1 3 1 "RMS(OBS, PRED)" CB 119 1.290 1
16 1 3 1 "RMS(OBS, PRED)" H 118 0.593 1
17 1 3 1 "RMS(OBS, PRED)" HA 131 0.403 1
18 1 3 1 "RMS(OBS, PRED)" N 119 2.903 1
19 1 4 1 "RMS(OBS, PRED)" C 42 1.263 1
20 1 4 1 "RMS(OBS, PRED)" CA 125 1.264 1
21 1 4 1 "RMS(OBS, PRED)" CB 119 1.403 1
22 1 4 1 "RMS(OBS, PRED)" H 118 0.583 1
23 1 4 1 "RMS(OBS, PRED)" HA 131 0.379 1
24 1 4 1 "RMS(OBS, PRED)" N 119 3.111 1
25 1 5 1 "RMS(OBS, PRED)" C 42 1.192 1
26 1 5 1 "RMS(OBS, PRED)" CA 125 1.283 1
27 1 5 1 "RMS(OBS, PRED)" CB 119 1.309 1
28 1 5 1 "RMS(OBS, PRED)" H 118 0.591 1
29 1 5 1 "RMS(OBS, PRED)" HA 131 0.396 1
30 1 5 1 "RMS(OBS, PRED)" N 119 3.168 1
31 1 6 1 "RMS(OBS, PRED)" C 42 1.298 1
32 1 6 1 "RMS(OBS, PRED)" CA 125 1.312 1
33 1 6 1 "RMS(OBS, PRED)" CB 119 1.168 1
34 1 6 1 "RMS(OBS, PRED)" H 118 0.569 1
35 1 6 1 "RMS(OBS, PRED)" HA 131 0.379 1
36 1 6 1 "RMS(OBS, PRED)" N 119 2.918 1
37 1 7 1 "RMS(OBS, PRED)" C 42 1.216 1
38 1 7 1 "RMS(OBS, PRED)" CA 125 1.334 1
39 1 7 1 "RMS(OBS, PRED)" CB 119 1.267 1
40 1 7 1 "RMS(OBS, PRED)" H 118 0.597 1
41 1 7 1 "RMS(OBS, PRED)" HA 131 0.405 1
42 1 7 1 "RMS(OBS, PRED)" N 119 3.133 1
43 1 8 1 "RMS(OBS, PRED)" C 42 1.297 1
44 1 8 1 "RMS(OBS, PRED)" CA 125 1.338 1
45 1 8 1 "RMS(OBS, PRED)" CB 119 1.233 1
46 1 8 1 "RMS(OBS, PRED)" H 118 0.555 1
47 1 8 1 "RMS(OBS, PRED)" HA 131 0.387 1
48 1 8 1 "RMS(OBS, PRED)" N 119 2.897 1
49 1 9 1 "RMS(OBS, PRED)" C 42 1.189 1
50 1 9 1 "RMS(OBS, PRED)" CA 125 1.332 1
51 1 9 1 "RMS(OBS, PRED)" CB 119 1.304 1
52 1 9 1 "RMS(OBS, PRED)" H 118 0.581 1
53 1 9 1 "RMS(OBS, PRED)" HA 131 0.397 1
54 1 9 1 "RMS(OBS, PRED)" N 119 3.113 1
55 1 10 1 "RMS(OBS, PRED)" C 42 1.190 1
56 1 10 1 "RMS(OBS, PRED)" CA 125 1.334 1
57 1 10 1 "RMS(OBS, PRED)" CB 119 1.290 1
58 1 10 1 "RMS(OBS, PRED)" H 118 0.608 1
59 1 10 1 "RMS(OBS, PRED)" HA 131 0.406 1
60 1 10 1 "RMS(OBS, PRED)" N 119 3.054 1
61 1 11 1 "RMS(OBS, PRED)" C 42 1.195 1
62 1 11 1 "RMS(OBS, PRED)" CA 125 1.271 1
63 1 11 1 "RMS(OBS, PRED)" CB 119 1.238 1
64 1 11 1 "RMS(OBS, PRED)" H 118 0.601 1
65 1 11 1 "RMS(OBS, PRED)" HA 131 0.406 1
66 1 11 1 "RMS(OBS, PRED)" N 119 3.100 1
67 1 12 1 "RMS(OBS, PRED)" C 42 1.151 1
68 1 12 1 "RMS(OBS, PRED)" CA 125 1.259 1
69 1 12 1 "RMS(OBS, PRED)" CB 119 1.228 1
70 1 12 1 "RMS(OBS, PRED)" H 118 0.622 1
71 1 12 1 "RMS(OBS, PRED)" HA 131 0.446 1
72 1 12 1 "RMS(OBS, PRED)" N 119 3.234 1
73 1 13 1 "RMS(OBS, PRED)" C 42 1.333 1
74 1 13 1 "RMS(OBS, PRED)" CA 125 1.284 1
75 1 13 1 "RMS(OBS, PRED)" CB 119 1.234 1
76 1 13 1 "RMS(OBS, PRED)" H 118 0.607 1
77 1 13 1 "RMS(OBS, PRED)" HA 131 0.400 1
78 1 13 1 "RMS(OBS, PRED)" N 119 2.995 1
79 1 14 1 "RMS(OBS, PRED)" C 42 1.126 1
80 1 14 1 "RMS(OBS, PRED)" CA 125 1.364 1
81 1 14 1 "RMS(OBS, PRED)" CB 119 1.261 1
82 1 14 1 "RMS(OBS, PRED)" H 118 0.610 1
83 1 14 1 "RMS(OBS, PRED)" HA 131 0.413 1
84 1 14 1 "RMS(OBS, PRED)" N 119 2.997 1
85 1 15 1 "RMS(OBS, PRED)" C 42 1.216 1
86 1 15 1 "RMS(OBS, PRED)" CA 125 1.356 1
87 1 15 1 "RMS(OBS, PRED)" CB 119 1.442 1
88 1 15 1 "RMS(OBS, PRED)" H 118 0.576 1
89 1 15 1 "RMS(OBS, PRED)" HA 131 0.395 1
90 1 15 1 "RMS(OBS, PRED)" N 119 3.035 1
91 1 16 1 "RMS(OBS, PRED)" C 42 1.161 1
92 1 16 1 "RMS(OBS, PRED)" CA 125 1.314 1
93 1 16 1 "RMS(OBS, PRED)" CB 119 1.215 1
94 1 16 1 "RMS(OBS, PRED)" H 118 0.620 1
95 1 16 1 "RMS(OBS, PRED)" HA 131 0.393 1
96 1 16 1 "RMS(OBS, PRED)" N 119 3.087 1
97 1 17 1 "RMS(OBS, PRED)" C 42 1.138 1
98 1 17 1 "RMS(OBS, PRED)" CA 125 1.307 1
99 1 17 1 "RMS(OBS, PRED)" CB 119 1.204 1
100 1 17 1 "RMS(OBS, PRED)" H 118 0.615 1
101 1 17 1 "RMS(OBS, PRED)" HA 131 0.422 1
102 1 17 1 "RMS(OBS, PRED)" N 119 3.147 1
103 1 18 1 "RMS(OBS, PRED)" C 42 1.267 1
104 1 18 1 "RMS(OBS, PRED)" CA 125 1.294 1
105 1 18 1 "RMS(OBS, PRED)" CB 119 1.185 1
106 1 18 1 "RMS(OBS, PRED)" H 118 0.567 1
107 1 18 1 "RMS(OBS, PRED)" HA 131 0.368 1
108 1 18 1 "RMS(OBS, PRED)" N 119 3.150 1
109 1 19 1 "RMS(OBS, PRED)" C 42 1.264 1
110 1 19 1 "RMS(OBS, PRED)" CA 125 1.339 1
111 1 19 1 "RMS(OBS, PRED)" CB 119 1.340 1
112 1 19 1 "RMS(OBS, PRED)" H 118 0.580 1
113 1 19 1 "RMS(OBS, PRED)" HA 131 0.378 1
114 1 19 1 "RMS(OBS, PRED)" N 119 3.060 1
115 1 20 1 "RMS(OBS, PRED)" C 42 1.219 1
116 1 20 1 "RMS(OBS, PRED)" CA 125 1.304 1
117 1 20 1 "RMS(OBS, PRED)" CB 119 1.282 1
118 1 20 1 "RMS(OBS, PRED)" H 118 0.564 1
119 1 20 1 "RMS(OBS, PRED)" HA 131 0.387 1
120 1 20 1 "RMS(OBS, PRED)" N 119 2.916 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 1 . 1 1 A 2 2 SER HA H -3 4.607 4.793 -0.186 2
1 4 . 1 1 A 2 2 SER C C -3 174.489 173.811 0.678 2
1 5 . 1 1 A 2 2 SER CA C -3 56.994 58.081 -1.088 2
1 6 . 1 1 A 2 2 SER CB C -3 64.641 64.760 -0.119 2
1 7 . 1 1 A 2 2 SER N N -3 115.970 117.135 -1.165 2
1 8 . 1 1 A 3 3 HIS H H -2 8.138 8.616 -0.478 2
1 9 . 1 1 A 3 3 HIS HA H -2 4.558 4.739 -0.181 2
1 13 . 1 1 A 3 3 HIS C C -2 176.502 174.213 2.289 2
1 14 . 1 1 A 3 3 HIS CA C -2 56.164 55.985 0.179 2
1 15 . 1 1 A 3 3 HIS CB C -2 30.643 31.053 -0.410 2
1 17 . 1 1 A 3 3 HIS N N -2 122.640 121.392 1.248 2
1 39 . 1 1 A 6 6 THR H H 528 7.755 8.651 -0.896 2
1 40 . 1 1 A 6 6 THR HA H 528 5.155 4.545 0.610 2
1 45 . 1 1 A 6 6 THR C C 528 174.544 174.249 0.295 2
1 46 . 1 1 A 6 6 THR CA C 528 60.657 62.982 -2.325 2
1 47 . 1 1 A 6 6 THR CB C 528 68.218 69.639 -1.421 2
1 49 . 1 1 A 6 6 THR N N 528 118.293 115.903 2.391 2
1 50 . 1 1 A 7 7 VAL H H 529 8.966 8.740 0.226 2
1 51 . 1 1 A 7 7 VAL HA H 529 4.240 4.816 -0.576 2
1 59 . 1 1 A 7 7 VAL C C 529 174.012 174.624 -0.612 2
1 60 . 1 1 A 7 7 VAL CA C 529 58.309 58.813 -0.504 2
1 61 . 1 1 A 7 7 VAL CB C 529 35.661 35.560 0.101 2
1 64 . 1 1 A 7 7 VAL N N 529 121.381 119.413 1.968 2
1 65 . 1 1 A 8 8 SER H H 530 8.193 8.577 -0.384 2
1 66 . 1 1 A 8 8 SER HA H 530 4.825 4.917 -0.092 2
1 69 . 1 1 A 8 8 SER C C 530 172.908 174.018 -1.110 2
1 70 . 1 1 A 8 8 SER CA C 530 55.790 56.783 -0.993 2
1 71 . 1 1 A 8 8 SER CB C 530 62.800 63.396 -0.596 2
1 72 . 1 1 A 8 8 SER N N 530 113.044 115.405 -2.361 2
1 73 . 1 1 A 9 9 TRP H H 531 7.595 8.128 -0.533 2
1 74 . 1 1 A 9 9 TRP HA H 531 5.353 4.911 0.442 2
1 83 . 1 1 A 9 9 TRP C C 531 177.031 176.202 0.828 2
1 84 . 1 1 A 9 9 TRP CA C 531 51.902 57.007 -5.105 2
1 85 . 1 1 A 9 9 TRP CB C 531 32.848 31.073 1.774 2
1 91 . 1 1 A 9 9 TRP N N 531 124.627 125.306 -0.679 2
1 93 . 1 1 A 10 10 ASN H H 532 9.312 8.744 0.568 2
1 94 . 1 1 A 10 10 ASN HA H 532 4.601 5.064 -0.463 2
1 99 . 1 1 A 10 10 ASN C C 532 175.214 176.219 -1.005 2
1 100 . 1 1 A 10 10 ASN CA C 532 51.428 52.032 -0.604 2
1 101 . 1 1 A 10 10 ASN CB C 532 38.140 39.912 -1.772 2
1 102 . 1 1 A 10 10 ASN N N 532 121.842 119.573 2.269 2
1 104 . 1 1 A 11 11 LEU H H 533 8.503 8.780 -0.277 2
1 105 . 1 1 A 11 11 LEU HA H 533 4.086 4.075 0.011 2
1 115 . 1 1 A 11 11 LEU C C 533 178.309 178.685 -0.376 2
1 116 . 1 1 A 11 11 LEU CA C 533 58.491 58.378 0.113 2
1 117 . 1 1 A 11 11 LEU CB C 533 41.525 41.507 0.018 2
1 121 . 1 1 A 11 11 LEU N N 533 119.723 122.128 -2.405 2
1 122 . 1 1 A 12 12 ARG H H 534 8.057 8.325 -0.268 2
1 123 . 1 1 A 12 12 ARG HA H 534 3.840 4.042 -0.202 2
1 130 . 1 1 A 12 12 ARG C C 534 179.597 179.179 0.418 2
1 131 . 1 1 A 12 12 ARG CA C 534 59.873 59.516 0.357 2
1 132 . 1 1 A 12 12 ARG CB C 534 29.076 30.023 -0.947 2
1 135 . 1 1 A 12 12 ARG N N 534 117.711 119.282 -1.571 2
1 136 . 1 1 A 13 13 GLU H H 535 8.342 8.277 0.065 2
1 137 . 1 1 A 13 13 GLU HA H 535 3.724 4.004 -0.280 2
1 142 . 1 1 A 13 13 GLU C C 535 179.948 179.423 0.525 2
1 143 . 1 1 A 13 13 GLU CA C 535 58.753 59.220 -0.467 2
1 144 . 1 1 A 13 13 GLU CB C 535 29.402 29.352 0.050 2
1 146 . 1 1 A 13 13 GLU N N 535 121.501 119.884 1.617 2
1 147 . 1 1 A 14 14 MET H H 536 8.684 8.409 0.275 2
1 148 . 1 1 A 14 14 MET HA H 536 3.945 4.388 -0.443 2
1 156 . 1 1 A 14 14 MET C C 536 177.364 178.843 -1.479 2
1 157 . 1 1 A 14 14 MET CA C 536 60.550 58.780 1.770 2
1 158 . 1 1 A 14 14 MET CB C 536 34.412 32.978 1.434 2
1 161 . 1 1 A 14 14 MET N N 536 120.565 119.925 0.640 2
1 162 . 1 1 A 15 15 LEU H H 537 8.731 8.466 0.265 2
1 163 . 1 1 A 15 15 LEU HA H 537 3.970 4.128 -0.158 2
1 173 . 1 1 A 15 15 LEU C C 537 178.544 178.678 -0.134 2
1 174 . 1 1 A 15 15 LEU CA C 537 57.723 58.259 -0.536 2
1 175 . 1 1 A 15 15 LEU CB C 537 41.396 41.873 -0.477 2
1 179 . 1 1 A 15 15 LEU N N 537 118.710 120.490 -1.780 2
1 180 . 1 1 A 16 16 ALA H H 538 7.816 8.450 -0.634 2
1 181 . 1 1 A 16 16 ALA HA H 538 4.026 4.116 -0.090 2
1 185 . 1 1 A 16 16 ALA C C 538 180.374 179.469 0.905 2
1 186 . 1 1 A 16 16 ALA CA C 538 54.734 55.053 -0.319 2
1 187 . 1 1 A 16 16 ALA CB C 538 17.670 18.276 -0.606 2
1 188 . 1 1 A 16 16 ALA N N 538 120.155 120.931 -0.776 2
1 189 . 1 1 A 17 17 HIS H H 539 7.715 8.357 -0.642 2
1 190 . 1 1 A 17 17 HIS HA H 539 4.180 4.174 0.006 2
1 194 . 1 1 A 17 17 HIS C C 539 179.167 176.897 2.270 2
1 195 . 1 1 A 17 17 HIS CA C 539 59.392 59.661 -0.269 2
1 196 . 1 1 A 17 17 HIS CB C 539 29.094 29.626 -0.532 2
1 198 . 1 1 A 17 17 HIS N N 539 117.446 117.949 -0.503 2
1 199 . 1 1 A 18 18 ALA H H 540 8.995 8.478 0.517 2
1 200 . 1 1 A 18 18 ALA HA H 540 3.656 3.970 -0.314 2
1 204 . 1 1 A 18 18 ALA C C 540 180.803 179.607 1.196 2
1 205 . 1 1 A 18 18 ALA CA C 540 55.762 55.186 0.576 2
1 206 . 1 1 A 18 18 ALA CB C 540 18.380 18.154 0.226 2
1 207 . 1 1 A 18 18 ALA N N 540 124.222 121.049 3.174 2
1 208 . 1 1 A 19 19 GLU H H 541 8.840 8.287 0.553 2
1 209 . 1 1 A 19 19 GLU HA H 541 3.695 3.953 -0.258 2
1 214 . 1 1 A 19 19 GLU C C 541 178.479 178.766 -0.287 2
1 215 . 1 1 A 19 19 GLU CA C 541 59.695 59.580 0.116 2
1 216 . 1 1 A 19 19 GLU CB C 541 29.740 29.289 0.451 2
1 218 . 1 1 A 19 19 GLU N N 541 121.086 118.176 2.910 2
1 219 . 1 1 A 20 20 GLU H H 542 7.649 8.229 -0.580 2
1 220 . 1 1 A 20 20 GLU HA H 542 3.980 4.069 -0.089 2
1 225 . 1 1 A 20 20 GLU C C 542 178.212 178.244 -0.032 2
1 226 . 1 1 A 20 20 GLU CA C 542 58.593 58.924 -0.331 2
1 227 . 1 1 A 20 20 GLU CB C 542 30.293 29.514 0.779 2
1 229 . 1 1 A 20 20 GLU N N 542 117.027 119.432 -2.405 2
1 230 . 1 1 A 21 21 THR H H 543 7.588 7.792 -0.204 2
1 231 . 1 1 A 21 21 THR HA H 543 4.105 4.301 -0.196 2
1 236 . 1 1 A 21 21 THR C C 543 175.320 174.339 0.981 2
1 237 . 1 1 A 21 21 THR CA C 543 62.110 61.918 0.192 2
1 238 . 1 1 A 21 21 THR CB C 543 70.747 69.346 1.401 2
1 240 . 1 1 A 21 21 THR N N 543 105.058 109.831 -4.773 2
1 241 . 1 1 A 22 22 ARG H H 544 7.678 7.796 -0.118 2
1 242 . 1 1 A 22 22 ARG HA H 544 3.925 4.049 -0.124 2
1 249 . 1 1 A 22 22 ARG C C 544 175.207 175.176 0.031 2
1 250 . 1 1 A 22 22 ARG CA C 544 55.996 56.924 -0.928 2
1 251 . 1 1 A 22 22 ARG CB C 544 24.959 28.193 -3.234 2
1 254 . 1 1 A 22 22 ARG N N 544 116.694 117.495 -0.801 2
1 255 . 1 1 A 23 23 LYS H H 545 6.931 7.485 -0.554 2
1 256 . 1 1 A 23 23 LYS HA H 545 4.169 4.393 -0.224 2
1 265 . 1 1 A 23 23 LYS C C 545 174.855 175.856 -1.001 2
1 266 . 1 1 A 23 23 LYS CA C 545 56.339 55.912 0.427 2
1 267 . 1 1 A 23 23 LYS CB C 545 36.104 33.827 2.277 2
1 271 . 1 1 A 23 23 LYS N N 545 117.744 118.959 -1.215 2
1 272 . 1 1 A 24 24 LEU H H 546 7.898 8.156 -0.258 2
1 273 . 1 1 A 24 24 LEU HA H 546 4.487 4.652 -0.165 2
1 283 . 1 1 A 24 24 LEU C C 546 175.730 175.408 0.322 2
1 284 . 1 1 A 24 24 LEU CA C 546 54.171 55.222 -1.051 2
1 285 . 1 1 A 24 24 LEU CB C 546 43.228 42.922 0.306 2
1 289 . 1 1 A 24 24 LEU N N 546 122.692 124.088 -1.396 2
1 290 . 1 1 A 25 25 MET H H 547 8.767 8.810 -0.043 2
1 291 . 1 1 A 25 25 MET HA H 547 5.728 5.113 0.615 2
1 299 . 1 1 A 25 25 MET CA C 547 51.900 52.521 -0.621 2
1 300 . 1 1 A 25 25 MET CB C 547 34.876 34.614 0.262 2
1 303 . 1 1 A 25 25 MET N N 547 126.346 126.125 0.221 2
1 304 . 1 1 A 26 26 PRO HA H 548 5.994 5.202 0.792 2
1 311 . 1 1 A 26 26 PRO C C 548 176.241 176.239 0.002 2
1 312 . 1 1 A 26 26 PRO CA C 548 61.285 62.883 -1.598 2
1 313 . 1 1 A 26 26 PRO CB C 548 32.260 32.849 -0.589 2
1 316 . 1 1 A 27 27 ILE H H 549 9.054 8.781 0.273 2
1 317 . 1 1 A 27 27 ILE HA H 549 4.284 4.653 -0.369 2
1 327 . 1 1 A 27 27 ILE C C 549 173.407 174.949 -1.542 2
1 328 . 1 1 A 27 27 ILE CA C 549 57.503 59.675 -2.172 2
1 329 . 1 1 A 27 27 ILE CB C 549 41.581 41.721 -0.140 2
1 333 . 1 1 A 27 27 ILE N N 549 126.281 121.602 4.679 2
1 334 . 1 1 A 28 28 CYS H H 550 8.459 8.567 -0.108 2
1 335 . 1 1 A 28 28 CYS HA H 550 3.704 3.551 0.153 2
1 339 . 1 1 A 28 28 CYS C C 550 174.180 175.810 -1.630 2
1 340 . 1 1 A 28 28 CYS CA C 550 56.873 58.651 -1.778 2
1 341 . 1 1 A 28 28 CYS CB C 550 27.537 28.071 -0.534 2
1 342 . 1 1 A 28 28 CYS N N 550 125.844 126.305 -0.461 2
1 343 . 1 1 A 29 29 MET H H 551 8.782 8.728 0.054 2
1 344 . 1 1 A 29 29 MET HA H 551 4.637 4.099 0.538 2
1 352 . 1 1 A 29 29 MET C C 551 174.613 177.620 -3.007 2
1 353 . 1 1 A 29 29 MET CA C 551 56.871 57.394 -0.523 2
1 354 . 1 1 A 29 29 MET CB C 551 34.394 31.426 2.968 2
1 357 . 1 1 A 29 29 MET N N 551 127.467 126.796 0.671 2
1 358 . 1 1 A 30 30 ASP H H 552 7.308 8.056 -0.748 2
1 359 . 1 1 A 30 30 ASP HA H 552 4.562 4.335 0.227 2
1 362 . 1 1 A 30 30 ASP C C 552 175.386 176.535 -1.149 2
1 363 . 1 1 A 30 30 ASP CA C 552 54.371 56.483 -2.112 2
1 364 . 1 1 A 30 30 ASP CB C 552 41.751 40.945 0.806 2
1 365 . 1 1 A 30 30 ASP N N 552 117.209 120.466 -3.257 2
1 366 . 1 1 A 31 31 VAL H H 553 7.257 7.501 -0.244 2
1 367 . 1 1 A 31 31 VAL HA H 553 4.057 4.219 -0.162 2
1 375 . 1 1 A 31 31 VAL C C 553 175.729 176.211 -0.482 2
1 376 . 1 1 A 31 31 VAL CA C 553 61.834 61.877 -0.043 2
1 377 . 1 1 A 31 31 VAL CB C 553 30.034 30.441 -0.406 2
1 380 . 1 1 A 31 31 VAL N N 553 120.645 117.642 3.003 2
1 381 . 1 1 A 32 32 ARG H H 554 8.412 8.375 0.037 2
1 382 . 1 1 A 32 32 ARG HA H 554 3.794 3.995 -0.202 2
1 389 . 1 1 A 32 32 ARG C C 554 178.819 178.272 0.547 2
1 390 . 1 1 A 32 32 ARG CA C 554 59.725 59.288 0.437 2
1 391 . 1 1 A 32 32 ARG CB C 554 29.537 29.807 -0.270 2
1 394 . 1 1 A 32 32 ARG N N 554 130.554 126.696 3.858 2
1 395 . 1 1 A 33 33 ALA H H 555 9.094 7.961 1.133 2
1 396 . 1 1 A 33 33 ALA HA H 555 4.081 4.088 -0.007 2
1 400 . 1 1 A 33 33 ALA C C 555 180.716 179.925 0.791 2
1 401 . 1 1 A 33 33 ALA CA C 555 55.002 54.921 0.081 2
1 402 . 1 1 A 33 33 ALA CB C 555 18.462 18.413 0.049 2
1 403 . 1 1 A 33 33 ALA N N 555 119.862 121.426 -1.564 2
1 404 . 1 1 A 34 34 ILE H H 556 6.620 7.715 -1.095 2
1 405 . 1 1 A 34 34 ILE HA H 556 3.745 3.746 -0.001 2
1 415 . 1 1 A 34 34 ILE C C 556 177.540 177.934 -0.394 2
1 416 . 1 1 A 34 34 ILE CA C 556 64.101 64.776 -0.675 2
1 417 . 1 1 A 34 34 ILE CB C 556 38.397 37.686 0.711 2
1 421 . 1 1 A 34 34 ILE N N 556 116.216 118.204 -1.988 2
1 422 . 1 1 A 35 35 MET H H 557 7.619 8.232 -0.613 2
1 423 . 1 1 A 35 35 MET HA H 557 4.249 4.108 0.141 2
1 431 . 1 1 A 35 35 MET C C 557 178.737 178.423 0.314 2
1 432 . 1 1 A 35 35 MET CA C 557 56.113 58.725 -2.612 2
1 433 . 1 1 A 35 35 MET CB C 557 29.490 32.183 -2.693 2
1 436 . 1 1 A 35 35 MET N N 557 118.017 118.435 -0.418 2
1 437 . 1 1 A 36 36 ALA H H 558 8.410 8.011 0.398 2
1 438 . 1 1 A 36 36 ALA HA H 558 4.084 4.077 0.006 2
1 442 . 1 1 A 36 36 ALA C C 558 180.632 179.746 0.886 2
1 443 . 1 1 A 36 36 ALA CA C 558 55.024 55.033 -0.009 2
1 444 . 1 1 A 36 36 ALA CB C 558 17.698 18.422 -0.724 2
1 445 . 1 1 A 36 36 ALA N N 558 121.592 121.344 0.248 2
1 446 . 1 1 A 37 37 THR H H 559 7.294 7.915 -0.621 2
1 447 . 1 1 A 37 37 THR HA H 559 3.858 3.927 -0.069 2
1 452 . 1 1 A 37 37 THR C C 559 176.419 176.773 -0.354 2
1 453 . 1 1 A 37 37 THR CA C 559 66.590 67.086 -0.496 2
1 454 . 1 1 A 37 37 THR CB C 559 68.001 68.684 -0.683 2
1 456 . 1 1 A 37 37 THR N N 559 115.835 114.296 1.539 2
1 457 . 1 1 A 38 38 ILE H H 560 8.109 8.034 0.075 2
1 458 . 1 1 A 38 38 ILE HA H 560 3.698 3.816 -0.118 2
1 468 . 1 1 A 38 38 ILE C C 560 176.934 178.427 -1.493 2
1 469 . 1 1 A 38 38 ILE CA C 560 65.952 65.379 0.573 2
1 470 . 1 1 A 38 38 ILE CB C 560 38.252 37.725 0.527 2
1 474 . 1 1 A 38 38 ILE N N 560 121.886 121.489 0.397 2
1 475 . 1 1 A 39 39 GLN H H 561 8.425 8.552 -0.127 2
1 476 . 1 1 A 39 39 GLN HA H 561 3.809 4.290 -0.481 2
1 483 . 1 1 A 39 39 GLN C C 561 177.126 178.736 -1.610 2
1 484 . 1 1 A 39 39 GLN CA C 561 58.751 58.798 -0.047 2
1 485 . 1 1 A 39 39 GLN CB C 561 29.255 28.433 0.822 2
1 487 . 1 1 A 39 39 GLN N N 561 116.211 118.150 -1.939 2
1 489 . 1 1 A 40 40 ARG H H 562 7.334 8.200 -0.866 2
1 490 . 1 1 A 40 40 ARG HA H 562 4.092 4.087 0.005 2
1 497 . 1 1 A 40 40 ARG C C 562 177.186 178.582 -1.396 2
1 498 . 1 1 A 40 40 ARG CA C 562 57.837 59.283 -1.446 2
1 499 . 1 1 A 40 40 ARG CB C 562 30.668 30.067 0.601 2
1 502 . 1 1 A 40 40 ARG N N 562 116.464 120.307 -3.843 2
1 503 . 1 1 A 41 41 LYS H H 563 7.802 7.595 0.207 2
1 504 . 1 1 A 41 41 LYS HA H 563 3.926 4.043 -0.117 2
1 513 . 1 1 A 41 41 LYS C C 563 176.735 176.503 0.232 2
1 514 . 1 1 A 41 41 LYS CA C 563 57.866 58.386 -0.520 2
1 515 . 1 1 A 41 41 LYS CB C 563 33.314 32.847 0.467 2
1 519 . 1 1 A 41 41 LYS N N 563 118.658 119.159 -0.501 2
1 520 . 1 1 A 42 42 TYR H H 564 8.208 8.531 -0.323 2
1 521 . 1 1 A 42 42 TYR HA H 564 4.786 5.215 -0.430 2
1 528 . 1 1 A 42 42 TYR C C 564 174.346 175.938 -1.592 2
1 529 . 1 1 A 42 42 TYR CA C 564 55.497 56.369 -0.872 2
1 530 . 1 1 A 42 42 TYR CB C 564 36.075 37.901 -1.826 2
1 533 . 1 1 A 42 42 TYR N N 564 121.157 117.709 3.448 2
1 534 . 1 1 A 43 43 LYS H H 565 7.212 8.375 -1.163 2
1 535 . 1 1 A 43 43 LYS HA H 565 4.081 4.310 -0.229 2
1 544 . 1 1 A 43 43 LYS C C 565 179.082 178.702 0.380 2
1 545 . 1 1 A 43 43 LYS CA C 565 58.075 58.745 -0.670 2
1 546 . 1 1 A 43 43 LYS CB C 565 32.157 32.625 -0.468 2
1 550 . 1 1 A 43 43 LYS N N 565 119.412 124.558 -5.146 2
1 551 . 1 1 A 44 44 GLY H H 566 9.179 8.168 1.011 2
1 552 . 1 1 A 44 44 GLY HA2 H 566 3.607 3.772 -0.165 2
1 553 . 1 1 A 44 44 GLY HA3 H 566 4.252 3.821 0.431 2
1 554 . 1 1 A 44 44 GLY C C 566 173.990 174.225 -0.235 2
1 555 . 1 1 A 44 44 GLY CA C 566 44.860 46.655 -1.795 2
1 556 . 1 1 A 44 44 GLY N N 566 114.958 106.927 8.031 2
1 557 . 1 1 A 45 45 ILE H H 567 7.604 7.056 0.548 2
1 558 . 1 1 A 45 45 ILE HA H 567 2.533 3.850 -1.317 2
1 568 . 1 1 A 45 45 ILE C C 567 172.893 175.052 -2.159 2
1 569 . 1 1 A 45 45 ILE CA C 567 61.754 61.066 0.688 2
1 570 . 1 1 A 45 45 ILE CB C 567 38.302 38.939 -0.637 2
1 574 . 1 1 A 45 45 ILE N N 567 122.496 121.388 1.108 2
1 575 . 1 1 A 46 46 LYS H H 568 7.733 8.515 -0.782 2
1 576 . 1 1 A 46 46 LYS HA H 568 4.307 4.682 -0.375 2
1 585 . 1 1 A 46 46 LYS C C 568 174.772 175.841 -1.069 2
1 586 . 1 1 A 46 46 LYS CA C 568 54.069 54.890 -0.821 2
1 587 . 1 1 A 46 46 LYS CB C 568 31.741 34.338 -2.597 2
1 591 . 1 1 A 46 46 LYS N N 568 128.712 126.705 2.007 2
1 592 . 1 1 A 47 47 ILE H H 569 8.081 8.346 -0.265 2
1 593 . 1 1 A 47 47 ILE HA H 569 3.166 3.849 -0.683 2
1 603 . 1 1 A 47 47 ILE CA C 569 61.564 61.243 0.321 2
1 604 . 1 1 A 47 47 ILE CB C 569 36.718 37.406 -0.688 2
1 608 . 1 1 A 47 47 ILE N N 569 124.424 123.643 0.781 2
1 609 . 1 1 A 48 48 GLN H H 570 6.700 8.653 -1.953 2
1 610 . 1 1 A 48 48 GLN HA H 570 4.205 4.898 -0.693 2
1 617 . 1 1 A 48 48 GLN CA C 570 53.129 54.061 -0.932 2
1 618 . 1 1 A 48 48 GLN CB C 570 31.211 32.163 -0.952 2
1 620 . 1 1 A 48 48 GLN N N 570 122.748 124.932 -2.184 2
1 622 . 1 1 A 49 49 GLU H H 571 8.218 8.595 -0.377 2
1 623 . 1 1 A 49 49 GLU HA H 571 3.727 4.532 -0.805 2
1 628 . 1 1 A 49 49 GLU CA C 571 57.976 56.997 0.979 2
1 629 . 1 1 A 49 49 GLU CB C 571 30.954 28.880 2.074 2
1 631 . 1 1 A 49 49 GLU N N 571 116.531 122.456 -5.925 2
1 632 . 1 1 A 50 50 GLY H H 572 8.967 8.024 0.943 2
1 633 . 1 1 A 50 50 GLY HA2 H 572 2.810 4.171 -1.361 2
1 634 . 1 1 A 50 50 GLY HA3 H 572 4.198 4.276 -0.078 2
1 635 . 1 1 A 50 50 GLY CA C 572 43.607 45.038 -1.431 2
1 636 . 1 1 A 50 50 GLY N N 572 111.469 110.585 0.884 2
1 637 . 1 1 A 51 51 ILE H H 573 8.410 8.753 -0.343 2
1 638 . 1 1 A 51 51 ILE HA H 573 4.916 4.576 0.340 2
1 648 . 1 1 A 51 51 ILE CA C 573 61.137 62.255 -1.118 2
1 649 . 1 1 A 51 51 ILE CB C 573 38.165 38.066 0.099 2
1 653 . 1 1 A 51 51 ILE N N 573 120.591 122.263 -1.672 2
1 654 . 1 1 A 52 52 VAL H H 574 8.900 8.925 -0.025 2
1 655 . 1 1 A 52 52 VAL HA H 574 4.073 4.824 -0.751 2
1 663 . 1 1 A 52 52 VAL CA C 574 62.516 61.132 1.384 2
1 664 . 1 1 A 52 52 VAL CB C 574 35.957 34.600 1.357 2
1 667 . 1 1 A 52 52 VAL N N 574 131.435 127.814 3.621 2
1 668 . 1 1 A 53 53 ASP H H 575 8.731 9.057 -0.326 2
1 669 . 1 1 A 53 53 ASP HA H 575 4.953 4.966 -0.013 2
1 672 . 1 1 A 53 53 ASP CA C 575 52.137 53.430 -1.293 2
1 673 . 1 1 A 53 53 ASP CB C 575 40.659 40.851 -0.192 2
1 674 . 1 1 A 53 53 ASP N N 575 126.463 128.645 -2.182 2
1 675 . 1 1 A 54 54 TYR H H 576 8.639 8.831 -0.192 2
1 676 . 1 1 A 54 54 TYR HA H 576 4.407 4.899 -0.492 2
1 683 . 1 1 A 54 54 TYR CA C 576 57.833 57.730 0.103 2
1 684 . 1 1 A 54 54 TYR CB C 576 38.634 40.733 -2.099 2
1 687 . 1 1 A 54 54 TYR N N 576 131.097 126.502 4.595 2
1 688 . 1 1 A 55 55 GLY H H 577 8.388 8.952 -0.564 2
1 689 . 1 1 A 55 55 GLY HA2 H 577 3.056 3.854 -0.798 2
1 690 . 1 1 A 55 55 GLY HA3 H 577 4.307 3.965 0.342 2
1 691 . 1 1 A 55 55 GLY CA C 577 46.347 46.187 0.160 2
1 692 . 1 1 A 55 55 GLY N N 577 115.719 116.626 -0.907 2
1 693 . 1 1 A 56 56 VAL H H 578 7.143 7.636 -0.493 2
1 694 . 1 1 A 56 56 VAL HA H 578 3.410 4.224 -0.814 2
1 702 . 1 1 A 56 56 VAL CA C 578 60.335 60.408 -0.073 2
1 703 . 1 1 A 56 56 VAL CB C 578 35.027 33.372 1.655 2
1 706 . 1 1 A 56 56 VAL N N 578 124.853 120.906 3.947 2
1 707 . 1 1 A 57 57 ARG H H 579 8.091 8.142 -0.051 2
1 708 . 1 1 A 57 57 ARG HA H 579 4.292 4.551 -0.259 2
1 715 . 1 1 A 57 57 ARG CA C 579 55.039 55.478 -0.439 2
1 716 . 1 1 A 57 57 ARG CB C 579 29.224 30.535 -1.311 2
1 719 . 1 1 A 57 57 ARG N N 579 124.754 125.665 -0.911 2
1 720 . 1 1 A 58 58 PHE H H 580 8.499 9.226 -0.727 2
1 721 . 1 1 A 58 58 PHE HA H 580 4.647 5.161 -0.514 2
1 729 . 1 1 A 58 58 PHE CA C 580 57.563 56.755 0.808 2
1 730 . 1 1 A 58 58 PHE CB C 580 42.026 41.561 0.465 2
1 734 . 1 1 A 58 58 PHE N N 580 124.105 124.076 0.029 2
1 735 . 1 1 A 59 59 PHE H H 581 7.683 8.617 -0.934 2
1 736 . 1 1 A 59 59 PHE HA H 581 4.689 5.119 -0.430 2
1 743 . 1 1 A 59 59 PHE CA C 581 56.662 56.620 0.042 2
1 744 . 1 1 A 59 59 PHE CB C 581 41.024 40.499 0.525 2
1 747 . 1 1 A 59 59 PHE N N 581 119.707 122.674 -2.967 2
1 748 . 1 1 A 60 60 PHE H H 582 8.898 8.434 0.464 2
1 749 . 1 1 A 60 60 PHE HA H 582 5.563 5.018 0.545 2
1 757 . 1 1 A 60 60 PHE CA C 582 57.615 58.040 -0.425 2
1 758 . 1 1 A 60 60 PHE CB C 582 39.539 40.304 -0.765 2
1 762 . 1 1 A 60 60 PHE N N 582 127.157 126.356 0.801 2
1 763 . 1 1 A 61 61 TYR H H 583 8.441 8.789 -0.348 2
1 764 . 1 1 A 61 61 TYR HA H 583 5.301 5.319 -0.018 2
1 771 . 1 1 A 61 61 TYR CA C 583 54.556 55.590 -1.034 2
1 772 . 1 1 A 61 61 TYR CB C 583 41.444 41.082 0.362 2
1 775 . 1 1 A 61 61 TYR N N 583 119.072 118.986 0.086 2
1 776 . 1 1 A 62 62 THR H H 584 9.444 8.590 0.854 2
1 777 . 1 1 A 62 62 THR HA H 584 4.680 4.902 -0.222 2
1 782 . 1 1 A 62 62 THR CA C 584 59.784 60.017 -0.233 2
1 783 . 1 1 A 62 62 THR CB C 584 71.274 71.041 0.233 2
1 785 . 1 1 A 62 62 THR N N 584 113.469 113.319 0.150 2
1 786 . 1 1 A 63 63 SER H H 585 9.092 9.045 0.047 2
1 787 . 1 1 A 63 63 SER HA H 585 4.685 4.014 0.671 2
1 790 . 1 1 A 63 63 SER CA C 585 59.665 61.026 -1.361 2
1 791 . 1 1 A 63 63 SER CB C 585 62.835 62.848 -0.013 2
1 792 . 1 1 A 63 63 SER N N 585 114.155 118.573 -4.418 2
1 793 . 1 1 A 64 64 LYS H H 586 7.484 7.799 -0.315 2
1 794 . 1 1 A 64 64 LYS HA H 586 4.074 4.263 -0.189 2
1 803 . 1 1 A 64 64 LYS CA C 586 55.960 58.701 -2.741 2
1 804 . 1 1 A 64 64 LYS CB C 586 32.662 32.637 0.025 2
1 808 . 1 1 A 64 64 LYS N N 586 118.230 119.118 -0.888 2
1 809 . 1 1 A 65 65 GLU H H 587 7.194 7.638 -0.444 2
1 810 . 1 1 A 65 65 GLU HA H 587 4.584 4.532 0.052 2
1 815 . 1 1 A 65 65 GLU CA C 587 53.443 54.959 -1.516 2
1 816 . 1 1 A 65 65 GLU CB C 587 30.381 29.913 0.468 2
1 818 . 1 1 A 65 65 GLU N N 587 124.837 120.436 4.401 2
1 819 . 1 1 A 66 66 PRO HA H 588 4.506 4.571 -0.065 2
1 826 . 1 1 A 66 66 PRO CA C 588 62.620 63.224 -0.604 2
1 827 . 1 1 A 66 66 PRO CB C 588 32.368 32.277 0.091 2
1 830 . 1 1 A 67 67 VAL H H 589 8.545 8.314 0.231 2
1 831 . 1 1 A 67 67 VAL HA H 589 3.136 3.217 -0.081 2
1 839 . 1 1 A 67 67 VAL CA C 589 66.588 66.413 0.175 2
1 840 . 1 1 A 67 67 VAL CB C 589 30.979 31.343 -0.364 2
1 843 . 1 1 A 67 67 VAL N N 589 123.156 123.359 -0.203 2
1 844 . 1 1 A 68 68 ALA H H 590 8.700 8.452 0.248 2
1 845 . 1 1 A 68 68 ALA HA H 590 3.953 3.963 -0.010 2
1 849 . 1 1 A 68 68 ALA CA C 590 54.867 55.586 -0.719 2
1 850 . 1 1 A 68 68 ALA CB C 590 18.134 18.479 -0.345 2
1 851 . 1 1 A 68 68 ALA N N 590 118.895 122.714 -3.819 2
1 852 . 1 1 A 69 69 SER H H 591 6.961 7.912 -0.951 2
1 853 . 1 1 A 69 69 SER HA H 591 4.195 4.202 -0.007 2
1 856 . 1 1 A 69 69 SER CA C 591 60.029 61.541 -1.512 2
1 857 . 1 1 A 69 69 SER CB C 591 62.045 63.010 -0.965 2
1 858 . 1 1 A 69 69 SER N N 591 111.445 112.649 -1.204 2
1 859 . 1 1 A 70 70 ILE H H 592 7.386 7.941 -0.555 2
1 860 . 1 1 A 70 70 ILE HA H 592 3.361 3.707 -0.346 2
1 870 . 1 1 A 70 70 ILE CA C 592 65.332 64.479 0.853 2
1 871 . 1 1 A 70 70 ILE CB C 592 38.427 37.403 1.024 2
1 875 . 1 1 A 70 70 ILE N N 592 122.407 121.042 1.365 2
1 876 . 1 1 A 71 71 ILE H H 593 8.332 8.213 0.119 2
1 877 . 1 1 A 71 71 ILE HA H 593 3.256 3.520 -0.264 2
1 887 . 1 1 A 71 71 ILE CA C 593 65.023 64.972 0.051 2
1 888 . 1 1 A 71 71 ILE CB C 593 36.662 37.591 -0.929 2
1 892 . 1 1 A 71 71 ILE N N 593 117.779 121.652 -3.873 2
1 893 . 1 1 A 72 72 THR H H 594 7.834 8.140 -0.306 2
1 894 . 1 1 A 72 72 THR HA H 594 3.845 3.915 -0.070 2
1 899 . 1 1 A 72 72 THR CA C 594 67.376 66.638 0.738 2
1 900 . 1 1 A 72 72 THR CB C 594 68.291 68.597 -0.306 2
1 902 . 1 1 A 72 72 THR N N 594 117.154 116.121 1.033 2
1 903 . 1 1 A 73 73 LYS H H 595 7.803 7.862 -0.059 2
1 904 . 1 1 A 73 73 LYS HA H 595 3.936 4.026 -0.090 2
1 913 . 1 1 A 73 73 LYS CA C 595 59.853 59.335 0.518 2
1 914 . 1 1 A 73 73 LYS CB C 595 32.531 32.368 0.163 2
1 918 . 1 1 A 73 73 LYS N N 595 122.657 120.381 2.276 2
1 919 . 1 1 A 74 74 LEU H H 596 8.088 7.916 0.172 2
1 920 . 1 1 A 74 74 LEU HA H 596 3.681 3.897 -0.216 2
1 930 . 1 1 A 74 74 LEU CA C 596 57.217 57.608 -0.392 2
1 931 . 1 1 A 74 74 LEU CB C 596 41.122 41.272 -0.150 2
1 935 . 1 1 A 74 74 LEU N N 596 119.593 120.129 -0.536 2
1 936 . 1 1 A 75 75 ASN H H 597 8.949 8.441 0.508 2
1 937 . 1 1 A 75 75 ASN HA H 597 4.471 4.399 0.072 2
1 942 . 1 1 A 75 75 ASN CA C 597 54.735 56.233 -1.499 2
1 943 . 1 1 A 75 75 ASN CB C 597 37.074 38.080 -1.006 2
1 944 . 1 1 A 75 75 ASN N N 597 121.103 118.491 2.612 2
1 946 . 1 1 A 76 76 SER H H 598 7.927 8.243 -0.316 2
1 947 . 1 1 A 76 76 SER HA H 598 4.137 4.165 -0.028 2
1 950 . 1 1 A 76 76 SER CA C 598 60.952 61.438 -0.486 2
1 951 . 1 1 A 76 76 SER CB C 598 62.516 62.406 0.110 2
1 952 . 1 1 A 76 76 SER N N 598 116.716 114.728 1.988 2
1 953 . 1 1 A 77 77 LEU H H 599 7.543 7.426 0.118 2
1 954 . 1 1 A 77 77 LEU HA H 599 3.974 3.983 -0.009 2
1 964 . 1 1 A 77 77 LEU CA C 599 57.200 57.425 -0.225 2
1 965 . 1 1 A 77 77 LEU CB C 599 41.749 41.993 -0.244 2
1 969 . 1 1 A 77 77 LEU N N 599 121.292 122.452 -1.160 2
1 970 . 1 1 A 78 78 ASN H H 600 7.755 8.139 -0.384 2
1 971 . 1 1 A 78 78 ASN HA H 600 4.114 4.291 -0.177 2
1 976 . 1 1 A 78 78 ASN CA C 600 53.603 54.466 -0.863 2
1 977 . 1 1 A 78 78 ASN CB C 600 37.688 37.763 -0.075 2
1 978 . 1 1 A 78 78 ASN N N 600 113.272 117.623 -4.351 2
1 980 . 1 1 A 79 79 GLU H H 601 8.389 7.944 0.445 2
1 981 . 1 1 A 79 79 GLU HA H 601 4.675 4.534 0.141 2
1 986 . 1 1 A 79 79 GLU CA C 601 53.418 54.211 -0.793 2
1 987 . 1 1 A 79 79 GLU CB C 601 30.704 29.410 1.294 2
1 989 . 1 1 A 79 79 GLU N N 601 118.840 119.369 -0.529 2
1 990 . 1 1 A 80 80 PRO HA H 602 4.771 4.887 -0.116 2
1 997 . 1 1 A 80 80 PRO CA C 602 62.189 62.603 -0.414 2
1 998 . 1 1 A 80 80 PRO CB C 602 32.196 31.905 0.291 2
1 1001 . 1 1 A 81 81 LEU H H 603 8.539 8.602 -0.063 2
1 1002 . 1 1 A 81 81 LEU HA H 603 5.766 5.125 0.641 2
1 1012 . 1 1 A 81 81 LEU CA C 603 53.432 53.475 -0.043 2
1 1013 . 1 1 A 81 81 LEU CB C 603 48.114 44.615 3.499 2
1 1017 . 1 1 A 81 81 LEU N N 603 118.455 123.002 -4.547 2
1 1018 . 1 1 A 82 82 VAL H H 604 8.322 8.323 -0.001 2
1 1019 . 1 1 A 82 82 VAL HA H 604 5.110 4.909 0.201 2
1 1027 . 1 1 A 82 82 VAL CA C 604 59.609 60.747 -1.138 2
1 1028 . 1 1 A 82 82 VAL CB C 604 34.100 34.192 -0.092 2
1 1031 . 1 1 A 82 82 VAL N N 604 121.259 120.166 1.093 2
1 1032 . 1 1 A 83 83 THR H H 605 8.570 8.748 -0.178 2
1 1033 . 1 1 A 83 83 THR HA H 605 5.107 4.791 0.316 2
1 1038 . 1 1 A 83 83 THR CA C 605 59.606 60.442 -0.836 2
1 1039 . 1 1 A 83 83 THR CB C 605 71.321 70.732 0.589 2
1 1041 . 1 1 A 83 83 THR N N 605 117.620 121.443 -3.823 2
1 1042 . 1 1 A 84 84 MET H H 606 8.288 8.673 -0.385 2
1 1043 . 1 1 A 84 84 MET HA H 606 5.310 4.723 0.587 2
1 1051 . 1 1 A 84 84 MET CA C 606 55.491 54.517 0.974 2
1 1052 . 1 1 A 84 84 MET CB C 606 31.549 32.994 -1.445 2
1 1055 . 1 1 A 84 84 MET N N 606 125.405 122.634 2.771 2
1 1056 . 1 1 A 85 85 PRO HA H 607 4.048 4.618 -0.570 2
1 1063 . 1 1 A 85 85 PRO CA C 607 63.608 63.029 0.579 2
1 1064 . 1 1 A 85 85 PRO CB C 607 31.291 31.919 -0.628 2
1 1067 . 1 1 A 86 86 ILE H H 608 8.326 8.603 -0.277 2
1 1068 . 1 1 A 86 86 ILE HA H 608 3.423 4.051 -0.628 2
1 1078 . 1 1 A 86 86 ILE CA C 608 63.457 64.119 -0.662 2
1 1079 . 1 1 A 86 86 ILE CB C 608 35.800 38.237 -2.437 2
1 1083 . 1 1 A 86 86 ILE N N 608 133.106 120.912 12.194 2
1 1084 . 1 1 A 87 87 GLY H H 609 8.549 7.954 0.595 2
1 1085 . 1 1 A 87 87 GLY HA2 H 609 3.448 3.500 -0.052 2
1 1086 . 1 1 A 87 87 GLY HA3 H 609 4.101 3.584 0.517 2
1 1087 . 1 1 A 87 87 GLY CA C 609 44.556 46.593 -2.037 2
1 1088 . 1 1 A 87 87 GLY N N 609 111.653 109.087 2.566 2
1 1089 . 1 1 A 88 88 TYR H H 610 7.224 8.378 -1.154 2
1 1090 . 1 1 A 88 88 TYR HA H 610 4.437 4.923 -0.486 2
1 1097 . 1 1 A 88 88 TYR CA C 610 57.670 56.660 1.010 2
1 1098 . 1 1 A 88 88 TYR CB C 610 38.604 40.397 -1.793 2
1 1101 . 1 1 A 88 88 TYR N N 610 121.537 124.065 -2.528 2
1 1102 . 1 1 A 89 89 VAL H H 611 8.953 7.985 0.968 2
1 1103 . 1 1 A 89 89 VAL HA H 611 3.065 3.581 -0.516 2
1 1111 . 1 1 A 89 89 VAL CA C 611 70.009 66.098 3.911 2
1 1112 . 1 1 A 89 89 VAL CB C 611 30.422 31.236 -0.814 2
1 1115 . 1 1 A 89 89 VAL N N 611 128.074 120.533 7.541 2
1 1116 . 1 1 A 90 90 THR H H 612 9.348 8.104 1.244 2
1 1117 . 1 1 A 90 90 THR HA H 612 3.810 4.068 -0.258 2
1 1122 . 1 1 A 90 90 THR CA C 612 64.727 65.315 -0.588 2
1 1123 . 1 1 A 90 90 THR CB C 612 68.005 68.296 -0.291 2
1 1125 . 1 1 A 90 90 THR N N 612 117.972 113.767 4.205 2
1 1126 . 1 1 A 91 91 HIS H H 613 7.651 7.999 -0.348 2
1 1127 . 1 1 A 91 91 HIS HA H 613 4.685 4.562 0.123 2
1 1131 . 1 1 A 91 91 HIS CA C 613 55.419 55.996 -0.577 2
1 1132 . 1 1 A 91 91 HIS CB C 613 29.092 30.005 -0.913 2
1 1134 . 1 1 A 91 91 HIS N N 613 119.034 117.915 1.119 2
1 1135 . 1 1 A 92 92 GLY H H 614 7.655 8.096 -0.441 2
1 1136 . 1 1 A 92 92 GLY HA2 H 614 3.665 3.881 -0.216 2
1 1137 . 1 1 A 92 92 GLY HA3 H 614 4.095 3.933 0.162 2
1 1138 . 1 1 A 92 92 GLY CA C 614 45.035 46.393 -1.358 2
1 1139 . 1 1 A 92 92 GLY N N 614 106.031 109.012 -2.981 2
1 1140 . 1 1 A 93 93 PHE H H 615 6.716 8.138 -1.422 2
1 1141 . 1 1 A 93 93 PHE HA H 615 5.244 4.633 0.611 2
1 1149 . 1 1 A 93 93 PHE CA C 615 53.904 57.944 -4.040 2
1 1150 . 1 1 A 93 93 PHE CB C 615 38.587 40.727 -2.140 2
1 1154 . 1 1 A 93 93 PHE N N 615 116.220 118.779 -2.559 2
1 1155 . 1 1 A 94 94 ASN H H 616 9.141 8.777 0.364 2
1 1156 . 1 1 A 94 94 ASN HA H 616 4.956 5.130 -0.174 2
1 1161 . 1 1 A 94 94 ASN CA C 616 51.278 52.322 -1.044 2
1 1162 . 1 1 A 94 94 ASN CB C 616 37.692 39.872 -2.180 2
1 1163 . 1 1 A 94 94 ASN N N 616 122.153 120.031 2.122 2
1 1165 . 1 1 A 95 95 LEU H H 617 8.684 8.944 -0.261 2
1 1166 . 1 1 A 95 95 LEU HA H 617 3.831 4.092 -0.261 2
1 1176 . 1 1 A 95 95 LEU CA C 617 58.457 58.327 0.130 2
1 1177 . 1 1 A 95 95 LEU CB C 617 41.985 41.576 0.409 2
1 1181 . 1 1 A 95 95 LEU N N 617 119.153 124.852 -5.699 2
1 1182 . 1 1 A 96 96 GLU H H 618 7.747 8.037 -0.290 2
1 1183 . 1 1 A 96 96 GLU HA H 618 2.864 3.096 -0.233 2
1 1188 . 1 1 A 96 96 GLU CA C 618 59.402 59.245 0.156 2
1 1189 . 1 1 A 96 96 GLU CB C 618 28.323 28.707 -0.384 2
1 1191 . 1 1 A 96 96 GLU N N 618 120.199 118.841 1.358 2
1 1192 . 1 1 A 97 97 GLU H H 619 8.503 8.074 0.429 2
1 1193 . 1 1 A 97 97 GLU HA H 619 3.497 3.910 -0.413 2
1 1198 . 1 1 A 97 97 GLU CA C 619 58.251 58.986 -0.735 2
1 1199 . 1 1 A 97 97 GLU CB C 619 29.073 29.378 -0.305 2
1 1201 . 1 1 A 97 97 GLU N N 619 118.988 118.261 0.727 2
1 1202 . 1 1 A 98 98 ALA H H 620 8.311 8.541 -0.230 2
1 1203 . 1 1 A 98 98 ALA HA H 620 4.211 4.515 -0.304 2
1 1207 . 1 1 A 98 98 ALA CA C 620 54.717 55.263 -0.546 2
1 1208 . 1 1 A 98 98 ALA CB C 620 18.635 18.338 0.297 2
1 1209 . 1 1 A 98 98 ALA N N 620 121.102 123.255 -2.153 2
1 1210 . 1 1 A 99 99 ALA H H 621 8.570 8.086 0.484 2
1 1211 . 1 1 A 99 99 ALA HA H 621 3.831 3.688 0.143 2
1 1215 . 1 1 A 99 99 ALA CA C 621 55.004 55.072 -0.068 2
1 1216 . 1 1 A 99 99 ALA CB C 621 18.548 17.809 0.739 2
1 1217 . 1 1 A 99 99 ALA N N 621 121.431 119.718 1.713 2
1 1218 . 1 1 A 100 100 ARG H H 622 7.646 8.248 -0.602 2
1 1219 . 1 1 A 100 100 ARG HA H 622 3.636 4.028 -0.392 2
1 1226 . 1 1 A 100 100 ARG CA C 622 59.556 59.385 0.171 2
1 1227 . 1 1 A 100 100 ARG CB C 622 29.420 30.042 -0.622 2
1 1230 . 1 1 A 100 100 ARG N N 622 114.812 117.156 -2.344 2
1 1231 . 1 1 A 101 101 CYS H H 623 7.503 8.333 -0.830 2
1 1232 . 1 1 A 101 101 CYS HA H 623 4.081 4.229 -0.148 2
1 1235 . 1 1 A 101 101 CYS CA C 623 62.364 62.317 0.047 2
1 1236 . 1 1 A 101 101 CYS CB C 623 26.301 27.230 -0.929 2
1 1237 . 1 1 A 101 101 CYS N N 623 118.667 119.016 -0.349 2
1 1238 . 1 1 A 102 102 MET H H 624 8.332 8.411 -0.079 2
1 1239 . 1 1 A 102 102 MET HA H 624 4.165 4.288 -0.123 2
1 1247 . 1 1 A 102 102 MET CA C 624 55.808 57.597 -1.790 2
1 1248 . 1 1 A 102 102 MET CB C 624 30.500 31.678 -1.178 2
1 1251 . 1 1 A 102 102 MET N N 624 119.480 119.258 0.222 2
1 1252 . 1 1 A 103 103 ARG H H 625 7.505 7.791 -0.286 2
1 1253 . 1 1 A 103 103 ARG HA H 625 4.022 4.218 -0.196 2
1 1260 . 1 1 A 103 103 ARG CA C 625 58.658 58.909 -0.251 2
1 1261 . 1 1 A 103 103 ARG CB C 625 30.413 29.913 0.500 2
1 1264 . 1 1 A 103 103 ARG N N 625 120.614 119.086 1.528 2
1 1265 . 1 1 A 104 104 SER H H 626 7.635 7.811 -0.176 2
1 1266 . 1 1 A 104 104 SER HA H 626 4.278 4.413 -0.135 2
1 1269 . 1 1 A 104 104 SER CA C 626 58.925 59.767 -0.842 2
1 1270 . 1 1 A 104 104 SER CB C 626 63.785 63.494 0.291 2
1 1271 . 1 1 A 104 104 SER N N 626 111.144 113.721 -2.577 2
1 1272 . 1 1 A 105 105 LEU H H 627 7.602 7.485 0.117 2
1 1273 . 1 1 A 105 105 LEU HA H 627 4.387 4.529 -0.142 2
1 1283 . 1 1 A 105 105 LEU CA C 627 55.025 55.512 -0.487 2
1 1284 . 1 1 A 105 105 LEU CB C 627 42.360 42.737 -0.377 2
1 1288 . 1 1 A 105 105 LEU N N 627 125.064 122.457 2.607 2
1 1289 . 1 1 A 106 106 LYS H H 628 9.724 8.883 0.841 2
1 1290 . 1 1 A 106 106 LYS HA H 628 4.244 4.568 -0.324 2
1 1299 . 1 1 A 106 106 LYS CA C 628 54.781 55.860 -1.079 2
1 1300 . 1 1 A 106 106 LYS CB C 628 33.456 33.475 -0.019 2
1 1304 . 1 1 A 106 106 LYS N N 628 128.616 124.300 4.316 2
1 1305 . 1 1 A 107 107 ALA H H 629 6.593 7.501 -0.908 2
1 1306 . 1 1 A 107 107 ALA HA H 629 4.420 4.590 -0.170 2
1 1310 . 1 1 A 107 107 ALA CA C 629 50.003 50.434 -0.431 2
1 1311 . 1 1 A 107 107 ALA CB C 629 17.219 20.045 -2.826 2
1 1312 . 1 1 A 107 107 ALA N N 629 124.084 122.679 1.405 2
1 1313 . 1 1 A 108 108 PRO HA H 630 4.302 4.721 -0.419 2
1 1320 . 1 1 A 108 108 PRO CA C 630 62.816 62.559 0.257 2
1 1321 . 1 1 A 108 108 PRO CB C 630 31.743 32.272 -0.529 2
1 1324 . 1 1 A 109 109 ALA H H 631 7.898 8.316 -0.418 2
1 1325 . 1 1 A 109 109 ALA HA H 631 5.092 4.916 0.176 2
1 1329 . 1 1 A 109 109 ALA CA C 631 50.966 50.955 0.011 2
1 1330 . 1 1 A 109 109 ALA CB C 631 22.217 22.678 -0.461 2
1 1331 . 1 1 A 109 109 ALA N N 631 122.466 122.344 0.122 2
1 1332 . 1 1 A 110 110 VAL H H 632 8.071 8.694 -0.623 2
1 1333 . 1 1 A 110 110 VAL HA H 632 4.167 4.457 -0.290 2
1 1341 . 1 1 A 110 110 VAL CA C 632 61.685 62.023 -0.338 2
1 1342 . 1 1 A 110 110 VAL CB C 632 32.856 32.302 0.554 2
1 1345 . 1 1 A 110 110 VAL N N 632 125.531 120.750 4.781 2
1 1346 . 1 1 A 111 111 VAL H H 633 8.182 8.534 -0.352 2
1 1347 . 1 1 A 111 111 VAL HA H 633 4.731 4.754 -0.023 2
1 1355 . 1 1 A 111 111 VAL CA C 633 59.473 61.057 -1.584 2
1 1356 . 1 1 A 111 111 VAL CB C 633 32.919 33.284 -0.365 2
1 1359 . 1 1 A 111 111 VAL N N 633 128.148 128.410 -0.262 2
1 1360 . 1 1 A 112 112 SER H H 634 8.591 8.704 -0.113 2
1 1361 . 1 1 A 112 112 SER HA H 634 4.920 5.054 -0.134 2
1 1364 . 1 1 A 112 112 SER CA C 634 53.905 56.657 -2.752 2
1 1365 . 1 1 A 112 112 SER CB C 634 64.651 64.775 -0.124 2
1 1366 . 1 1 A 112 112 SER N N 634 119.276 122.277 -3.001 2
1 1367 . 1 1 A 113 113 VAL H H 635 8.503 8.271 0.232 2
1 1368 . 1 1 A 113 113 VAL HA H 635 4.522 4.452 0.070 2
1 1376 . 1 1 A 113 113 VAL CA C 635 59.398 59.725 -0.327 2
1 1377 . 1 1 A 113 113 VAL CB C 635 32.548 34.597 -2.049 2
1 1380 . 1 1 A 113 113 VAL N N 635 118.886 121.587 -2.701 2
1 1381 . 1 1 A 114 114 SER H H 636 8.263 8.742 -0.479 2
1 1382 . 1 1 A 114 114 SER HA H 636 3.940 4.407 -0.467 2
1 1385 . 1 1 A 114 114 SER CA C 636 61.597 60.469 1.128 2
1 1386 . 1 1 A 114 114 SER CB C 636 63.321 63.757 -0.436 2
1 1387 . 1 1 A 114 114 SER N N 636 112.710 117.154 -4.444 2
1 1388 . 1 1 A 115 115 SER H H 637 7.269 7.848 -0.579 2
1 1389 . 1 1 A 115 115 SER HA H 637 4.956 4.945 0.011 2
1 1392 . 1 1 A 115 115 SER CA C 637 55.674 55.789 -0.115 2
1 1393 . 1 1 A 115 115 SER CB C 637 64.074 65.720 -1.646 2
1 1394 . 1 1 A 115 115 SER N N 637 114.537 113.220 1.317 2
1 1395 . 1 1 A 116 116 PRO HA H 638 4.186 4.354 -0.168 2
1 1402 . 1 1 A 116 116 PRO CA C 638 65.021 64.877 0.144 2
1 1403 . 1 1 A 116 116 PRO CB C 638 31.908 31.972 -0.064 2
1 1406 . 1 1 A 117 117 ASP H H 639 8.161 8.381 -0.220 2
1 1407 . 1 1 A 117 117 ASP HA H 639 4.359 4.403 -0.044 2
1 1410 . 1 1 A 117 117 ASP CA C 639 55.928 56.942 -1.014 2
1 1411 . 1 1 A 117 117 ASP CB C 639 40.088 40.525 -0.437 2
1 1412 . 1 1 A 117 117 ASP N N 639 116.310 117.348 -1.038 2
1 1413 . 1 1 A 118 118 ALA H H 640 7.596 7.760 -0.164 2
1 1414 . 1 1 A 118 118 ALA HA H 640 4.225 4.157 0.068 2
1 1418 . 1 1 A 118 118 ALA CA C 640 52.964 54.601 -1.637 2
1 1419 . 1 1 A 118 118 ALA CB C 640 18.334 18.532 -0.198 2
1 1420 . 1 1 A 118 118 ALA N N 640 121.066 122.143 -1.077 2
1 1421 . 1 1 A 119 119 VAL H H 641 7.280 7.706 -0.426 2
1 1422 . 1 1 A 119 119 VAL HA H 641 3.221 3.510 -0.289 2
1 1430 . 1 1 A 119 119 VAL CA C 641 66.608 66.994 -0.386 2
1 1431 . 1 1 A 119 119 VAL CB C 641 31.436 31.614 -0.178 2
1 1434 . 1 1 A 119 119 VAL N N 641 120.886 119.466 1.420 2
1 1435 . 1 1 A 120 120 THR H H 642 7.475 7.904 -0.429 2
1 1436 . 1 1 A 120 120 THR HA H 642 3.840 3.910 -0.070 2
1 1441 . 1 1 A 120 120 THR CA C 642 65.297 65.936 -0.639 2
1 1442 . 1 1 A 120 120 THR CB C 642 68.042 68.576 -0.534 2
1 1444 . 1 1 A 120 120 THR N N 642 112.821 115.742 -2.921 2
1 1445 . 1 1 A 121 121 THR H H 643 7.328 7.899 -0.571 2
1 1446 . 1 1 A 121 121 THR HA H 643 3.477 3.699 -0.222 2
1 1451 . 1 1 A 121 121 THR CA C 643 65.341 66.483 -1.142 2
1 1452 . 1 1 A 121 121 THR CB C 643 68.196 68.478 -0.282 2
1 1454 . 1 1 A 121 121 THR N N 643 119.194 117.015 2.179 2
1 1455 . 1 1 A 122 122 TYR H H 644 8.766 8.421 0.345 2
1 1456 . 1 1 A 122 122 TYR HA H 644 3.764 4.175 -0.411 2
1 1463 . 1 1 A 122 122 TYR CA C 644 62.340 61.938 0.402 2
1 1464 . 1 1 A 122 122 TYR CB C 644 39.106 38.571 0.535 2
1 1467 . 1 1 A 122 122 TYR N N 644 122.838 121.233 1.605 2
1 1468 . 1 1 A 123 123 ASN H H 645 8.290 8.616 -0.326 2
1 1469 . 1 1 A 123 123 ASN HA H 645 4.299 4.443 -0.144 2
1 1474 . 1 1 A 123 123 ASN CA C 645 55.018 56.074 -1.056 2
1 1475 . 1 1 A 123 123 ASN CB C 645 36.967 37.918 -0.951 2
1 1476 . 1 1 A 123 123 ASN N N 645 116.356 117.822 -1.466 2
1 1478 . 1 1 A 124 124 GLY H H 646 7.768 8.235 -0.467 2
1 1479 . 1 1 A 124 124 GLY HA2 H 646 3.639 3.528 0.111 2
1 1480 . 1 1 A 124 124 GLY HA3 H 646 3.707 3.647 0.060 2
1 1481 . 1 1 A 124 124 GLY CA C 646 46.521 47.057 -0.536 2
1 1482 . 1 1 A 124 124 GLY N N 646 108.260 108.585 -0.325 2
1 1483 . 1 1 A 125 125 TYR H H 647 7.386 7.548 -0.162 2
1 1484 . 1 1 A 125 125 TYR HA H 647 4.608 4.561 0.046 2
1 1491 . 1 1 A 125 125 TYR CA C 647 57.204 59.842 -2.638 2
1 1492 . 1 1 A 125 125 TYR CB C 647 37.557 37.799 -0.242 2
1 1495 . 1 1 A 125 125 TYR N N 647 120.587 121.362 -0.775 2
1 1496 . 1 1 A 126 126 LEU H H 648 7.802 7.798 0.004 2
1 1497 . 1 1 A 126 126 LEU HA H 648 3.801 3.961 -0.160 2
1 1507 . 1 1 A 126 126 LEU CA C 648 56.663 57.637 -0.974 2
1 1508 . 1 1 A 126 126 LEU CB C 648 42.298 41.904 0.393 2
1 1512 . 1 1 A 126 126 LEU N N 648 119.234 119.826 -0.592 2
1 1513 . 1 1 A 127 127 THR H H 649 7.473 7.787 -0.314 2
1 1514 . 1 1 A 127 127 THR HA H 649 4.238 4.365 -0.127 2
1 1519 . 1 1 A 127 127 THR CA C 649 61.868 62.971 -1.103 2
1 1520 . 1 1 A 127 127 THR CB C 649 69.451 69.585 -0.134 2
1 1522 . 1 1 A 127 127 THR N N 649 108.633 111.222 -2.589 2
1 1523 . 1 1 A 128 128 SER H H 650 7.696 8.144 -0.448 2
1 1524 . 1 1 A 128 128 SER HA H 650 4.439 4.423 0.016 2
1 1527 . 1 1 A 128 128 SER CA C 650 58.451 58.483 -0.032 2
1 1528 . 1 1 A 128 128 SER CB C 650 63.763 62.659 1.104 2
1 1529 . 1 1 A 128 128 SER N N 650 117.667 115.869 1.798 2
stop_
save_