data_16293_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16293
_Entry.PDB_ID 2KIS
_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 7
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 ALA H H 614 8.560 8.696 -0.136 1
1 2 . 1 1 1 A 2 2 ALA HA H 614 4.296 3.999 0.297 1
1 6 . 1 1 1 A 2 2 ALA CA C 614 52.718 53.336 -0.618 1
1 7 . 1 1 1 A 2 2 ALA CB C 614 19.861 17.443 2.418 1
1 8 . 1 1 1 A 3 3 MET H H 615 8.554 8.454 0.100 1
1 9 . 1 1 1 A 3 3 MET HA H 615 4.397 4.300 0.097 1
1 13 . 1 1 1 A 3 3 MET CA C 615 55.892 56.150 -0.258 1
1 14 . 1 1 1 A 3 3 MET CB C 615 32.332 31.115 1.217 1
1 16 . 1 1 1 A 4 4 GLY H H 616 8.503 8.143 0.360 1
1 17 . 1 1 1 A 4 4 GLY HA2 H 616 3.957 3.973 -0.016 1
1 18 . 1 1 1 A 4 4 GLY CA C 616 45.064 45.545 -0.481 1
1 19 . 1 1 1 A 5 5 SER H H 617 8.468 8.355 0.113 1
1 20 . 1 1 1 A 5 5 SER HA H 617 4.354 4.585 -0.231 1
1 23 . 1 1 1 A 5 5 SER CA C 617 58.505 60.174 -1.669 1
1 24 . 1 1 1 A 5 5 SER CB C 617 64.666 63.667 0.999 1
1 25 . 1 1 1 A 6 6 LEU H H 618 8.773 8.068 0.705 1
1 26 . 1 1 1 A 6 6 LEU HA H 618 3.939 4.181 -0.242 1
1 36 . 1 1 1 A 6 6 LEU CA C 618 58.879 56.840 2.039 1
1 37 . 1 1 1 A 6 6 LEU CB C 618 41.517 42.539 -1.022 1
1 41 . 1 1 1 A 7 7 GLU H H 619 8.700 8.507 0.193 1
1 42 . 1 1 1 A 7 7 GLU HA H 619 3.822 3.990 -0.168 1
1 46 . 1 1 1 A 7 7 GLU CA C 619 60.537 59.594 0.943 1
1 47 . 1 1 1 A 7 7 GLU CB C 619 29.382 29.393 -0.011 1
1 49 . 1 1 1 A 8 8 ALA H H 620 7.936 8.220 -0.284 1
1 50 . 1 1 1 A 8 8 ALA HA H 620 4.111 4.111 0.000 1
1 54 . 1 1 1 A 8 8 ALA CA C 620 55.332 55.185 0.147 1
1 55 . 1 1 1 A 8 8 ALA CB C 620 18.741 18.065 0.676 1
1 56 . 1 1 1 A 9 9 ARG H H 621 8.378 7.880 0.498 1
1 57 . 1 1 1 A 9 9 ARG HA H 621 4.026 4.142 -0.116 1
1 65 . 1 1 1 A 9 9 ARG CA C 621 60.559 59.292 1.267 1
1 66 . 1 1 1 A 9 9 ARG CB C 621 30.689 30.038 0.651 1
1 69 . 1 1 1 A 10 10 MET H H 622 8.972 8.399 0.573 1
1 70 . 1 1 1 A 10 10 MET HA H 622 3.938 4.371 -0.433 1
1 78 . 1 1 1 A 10 10 MET CA C 622 60.746 57.846 2.900 1
1 79 . 1 1 1 A 10 10 MET CB C 622 33.293 32.343 0.950 1
1 82 . 1 1 1 A 11 11 LYS H H 623 7.762 7.844 -0.082 1
1 83 . 1 1 1 A 11 11 LYS HA H 623 4.008 4.229 -0.221 1
1 89 . 1 1 1 A 11 11 LYS CA C 623 59.812 58.963 0.849 1
1 90 . 1 1 1 A 11 11 LYS CB C 623 32.369 32.522 -0.153 1
1 94 . 1 1 1 A 12 12 GLN H H 624 7.820 8.385 -0.565 1
1 95 . 1 1 1 A 12 12 GLN HA H 624 4.112 4.109 0.003 1
1 102 . 1 1 1 A 12 12 GLN CA C 624 59.626 58.803 0.823 1
1 103 . 1 1 1 A 12 12 GLN CB C 624 30.316 30.100 0.216 1
1 105 . 1 1 1 A 13 13 PHE H H 625 8.269 8.072 0.197 1
1 106 . 1 1 1 A 13 13 PHE HA H 625 3.801 4.132 -0.331 1
1 114 . 1 1 1 A 13 13 PHE CA C 625 61.679 61.360 0.319 1
1 115 . 1 1 1 A 13 13 PHE CB C 625 40.770 39.361 1.409 1
1 119 . 1 1 1 A 14 14 LYS H H 626 8.514 8.045 0.469 1
1 120 . 1 1 1 A 14 14 LYS HA H 626 3.642 3.988 -0.346 1
1 126 . 1 1 1 A 14 14 LYS CA C 626 61.119 60.133 0.986 1
1 127 . 1 1 1 A 14 14 LYS CB C 626 32.369 32.272 0.097 1
1 131 . 1 1 1 A 15 15 ASP H H 627 8.586 8.370 0.216 1
1 132 . 1 1 1 A 15 15 ASP HA H 627 4.293 4.280 0.013 1
1 135 . 1 1 1 A 15 15 ASP CA C 627 57.385 57.795 -0.410 1
1 136 . 1 1 1 A 15 15 ASP CB C 627 39.650 41.526 -1.876 1
1 137 . 1 1 1 A 16 16 MET H H 628 7.744 7.770 -0.026 1
1 138 . 1 1 1 A 16 16 MET HA H 628 3.647 3.973 -0.326 1
1 146 . 1 1 1 A 16 16 MET CA C 628 59.626 58.454 1.172 1
1 147 . 1 1 1 A 16 16 MET CB C 628 31.050 32.245 -1.195 1
1 150 . 1 1 1 A 17 17 LEU H H 629 7.522 7.918 -0.396 1
1 151 . 1 1 1 A 17 17 LEU HA H 629 3.325 3.721 -0.396 1
1 160 . 1 1 1 A 17 17 LEU CA C 629 58.132 57.511 0.621 1
1 161 . 1 1 1 A 17 17 LEU CB C 629 39.837 40.990 -1.153 1
1 165 . 1 1 1 A 18 18 LEU H H 630 6.961 7.596 -0.635 1
1 166 . 1 1 1 A 18 18 LEU HA H 630 4.374 4.228 0.146 1
1 175 . 1 1 1 A 18 18 LEU CA C 630 57.759 56.574 1.185 1
1 176 . 1 1 1 A 18 18 LEU CB C 630 42.824 42.241 0.583 1
1 180 . 1 1 1 A 19 19 GLU H H 631 8.539 7.959 0.580 1
1 181 . 1 1 1 A 19 19 GLU HA H 631 3.863 4.131 -0.268 1
1 186 . 1 1 1 A 19 19 GLU CA C 631 59.439 59.139 0.300 1
1 187 . 1 1 1 A 19 19 GLU CB C 631 30.876 30.498 0.378 1
1 189 . 1 1 1 A 20 20 ARG H H 632 8.380 7.720 0.660 1
1 190 . 1 1 1 A 20 20 ARG HA H 632 4.259 4.330 -0.071 1
1 197 . 1 1 1 A 20 20 ARG CA C 632 54.025 55.697 -1.672 1
1 198 . 1 1 1 A 20 20 ARG CB C 632 29.569 31.023 -1.454 1
1 201 . 1 1 1 A 21 21 GLY H H 633 7.683 7.502 0.181 1
1 202 . 1 1 1 A 21 21 GLY HA2 H 633 3.830 3.924 -0.094 1
1 203 . 1 1 1 A 21 21 GLY CA C 633 47.118 46.698 0.420 1
1 204 . 1 1 1 A 22 22 VAL H H 634 8.098 7.973 0.125 1
1 205 . 1 1 1 A 22 22 VAL HA H 634 3.796 4.466 -0.670 1
1 213 . 1 1 1 A 22 22 VAL CA C 634 64.106 61.707 2.399 1
1 214 . 1 1 1 A 22 22 VAL CB C 634 30.876 29.669 1.207 1
1 217 . 1 1 1 A 23 23 SER H H 635 9.022 8.379 0.643 1
1 218 . 1 1 1 A 23 23 SER HA H 635 4.489 4.014 0.475 1
1 221 . 1 1 1 A 23 23 SER CA C 635 57.199 58.913 -1.714 1
1 222 . 1 1 1 A 23 23 SER CB C 635 64.479 63.322 1.157 1
1 223 . 1 1 1 A 24 24 ALA H H 636 8.918 8.344 0.574 1
1 224 . 1 1 1 A 24 24 ALA HA H 636 3.996 4.174 -0.178 1
1 228 . 1 1 1 A 24 24 ALA CA C 636 52.345 53.349 -1.004 1
1 229 . 1 1 1 A 24 24 ALA CB C 636 19.301 17.858 1.443 1
1 230 . 1 1 1 A 25 25 PHE H H 637 8.119 6.907 1.212 1
1 231 . 1 1 1 A 25 25 PHE HA H 637 4.702 4.819 -0.117 1
1 238 . 1 1 1 A 25 25 PHE CA C 637 56.639 55.976 0.663 1
1 239 . 1 1 1 A 25 25 PHE CB C 637 38.903 38.721 0.182 1
1 244 . 1 1 1 A 26 26 SER H H 638 7.800 8.160 -0.360 1
1 245 . 1 1 1 A 26 26 SER HA H 638 4.818 5.130 -0.312 1
1 248 . 1 1 1 A 26 26 SER CB C 638 64.666 67.299 -2.633 1
1 249 . 1 1 1 A 27 27 THR H H 639 8.881 8.539 0.342 1
1 250 . 1 1 1 A 27 27 THR HA H 639 4.943 4.721 0.222 1
1 255 . 1 1 1 A 27 27 THR CA C 639 59.252 61.144 -1.892 1
1 256 . 1 1 1 A 27 27 THR CB C 639 72.880 69.777 3.103 1
1 258 . 1 1 1 A 28 28 TRP H H 640 9.322 9.233 0.089 1
1 259 . 1 1 1 A 28 28 TRP HA H 640 3.552 3.997 -0.445 1
1 267 . 1 1 1 A 28 28 TRP CA C 640 60.186 60.871 -0.685 1
1 268 . 1 1 1 A 28 28 TRP CB C 640 29.948 29.593 0.355 1
1 274 . 1 1 1 A 29 29 GLU H H 641 8.839 8.168 0.671 1
1 275 . 1 1 1 A 29 29 GLU HA H 641 3.573 3.875 -0.302 1
1 280 . 1 1 1 A 29 29 GLU CA C 641 60.746 59.206 1.540 1
1 281 . 1 1 1 A 29 29 GLU CB C 641 29.196 29.519 -0.323 1
1 283 . 1 1 1 A 30 30 LYS H H 642 7.667 7.476 0.191 1
1 284 . 1 1 1 A 30 30 LYS HA H 642 4.118 4.060 0.058 1
1 291 . 1 1 1 A 30 30 LYS CA C 642 58.879 59.628 -0.749 1
1 292 . 1 1 1 A 30 30 LYS CB C 642 33.293 31.929 1.364 1
1 296 . 1 1 1 A 31 31 GLU H H 643 7.748 7.769 -0.021 1
1 297 . 1 1 1 A 31 31 GLU HA H 643 4.047 3.809 0.238 1
1 302 . 1 1 1 A 31 31 GLU CA C 643 56.265 58.946 -2.681 1
1 303 . 1 1 1 A 31 31 GLU CB C 643 31.623 29.174 2.449 1
1 305 . 1 1 1 A 32 32 LEU H H 644 7.218 7.179 0.039 1
1 306 . 1 1 1 A 32 32 LEU HA H 644 3.140 3.286 -0.146 1
1 316 . 1 1 1 A 32 32 LEU CA C 644 58.132 57.703 0.429 1
1 317 . 1 1 1 A 32 32 LEU CB C 644 41.890 41.363 0.527 1
1 321 . 1 1 1 A 33 33 HIS H H 645 8.471 7.902 0.569 1
1 322 . 1 1 1 A 33 33 HIS HA H 645 4.005 4.305 -0.300 1
1 327 . 1 1 1 A 33 33 HIS CA C 645 58.505 59.062 -0.557 1
1 328 . 1 1 1 A 33 33 HIS CB C 645 28.449 28.833 -0.384 1
1 331 . 1 1 1 A 34 34 LYS H H 646 7.429 7.020 0.409 1
1 332 . 1 1 1 A 34 34 LYS HA H 646 3.816 3.756 0.060 1
1 340 . 1 1 1 A 34 34 LYS CA C 646 58.505 59.355 -0.850 1
1 341 . 1 1 1 A 34 34 LYS CB C 646 34.615 32.431 2.184 1
1 345 . 1 1 1 A 35 35 ILE H H 647 7.152 7.746 -0.594 1
1 346 . 1 1 1 A 35 35 ILE HA H 647 4.156 3.957 0.199 1
1 354 . 1 1 1 A 35 35 ILE CA C 647 61.492 63.426 -1.934 1
1 355 . 1 1 1 A 35 35 ILE CB C 647 40.957 38.289 2.668 1
1 358 . 1 1 1 A 36 36 VAL H H 648 6.892 8.221 -1.329 1
1 359 . 1 1 1 A 36 36 VAL HA H 648 2.231 3.608 -1.377 1
1 367 . 1 1 1 A 36 36 VAL CA C 648 63.733 65.174 -1.441 1
1 368 . 1 1 1 A 36 36 VAL CB C 648 31.436 30.913 0.523 1
1 371 . 1 1 1 A 37 37 PHE H H 649 7.254 7.731 -0.477 1
1 372 . 1 1 1 A 37 37 PHE HA H 649 4.629 4.343 0.286 1
1 378 . 1 1 1 A 37 37 PHE CA C 649 56.078 60.784 -4.706 1
1 379 . 1 1 1 A 37 37 PHE CB C 649 38.717 38.524 0.193 1
1 383 . 1 1 1 A 38 38 ASP H H 650 7.527 8.175 -0.648 1
1 384 . 1 1 1 A 38 38 ASP HA H 650 4.690 5.027 -0.337 1
1 387 . 1 1 1 A 38 38 ASP CA C 650 51.971 50.534 1.437 1
1 388 . 1 1 1 A 38 38 ASP CB C 650 44.055 42.941 1.114 1
1 389 . 1 1 1 A 39 39 PRO HA H 651 4.267 4.537 -0.270 1
1 395 . 1 1 1 A 39 39 PRO CA C 651 65.599 64.018 1.581 1
1 396 . 1 1 1 A 39 39 PRO CB C 651 32.556 32.314 0.242 1
1 399 . 1 1 1 A 40 40 ARG H H 652 9.454 8.809 0.645 1
1 400 . 1 1 1 A 40 40 ARG HA H 652 3.978 4.236 -0.258 1
1 408 . 1 1 1 A 40 40 ARG CA C 652 58.505 57.788 0.717 1
1 409 . 1 1 1 A 40 40 ARG CB C 652 30.129 29.292 0.837 1
1 412 . 1 1 1 A 41 41 TYR H H 653 8.320 8.166 0.154 1
1 413 . 1 1 1 A 41 41 TYR HA H 653 4.145 3.986 0.159 1
1 419 . 1 1 1 A 41 41 TYR CA C 653 61.119 60.171 0.948 1
1 420 . 1 1 1 A 41 41 TYR CB C 653 40.127 39.170 0.957 1
1 423 . 1 1 1 A 42 42 LEU H H 654 6.993 7.509 -0.516 1
1 424 . 1 1 1 A 42 42 LEU HA H 654 4.081 4.452 -0.371 1
1 433 . 1 1 1 A 42 42 LEU CA C 654 54.772 54.451 0.321 1
1 434 . 1 1 1 A 42 42 LEU CB C 654 41.890 41.840 0.050 1
1 438 . 1 1 1 A 43 43 LEU H H 655 7.492 8.073 -0.581 1
1 439 . 1 1 1 A 43 43 LEU HA H 655 4.053 4.226 -0.173 1
1 449 . 1 1 1 A 43 43 LEU CA C 655 56.452 57.672 -1.220 1
1 450 . 1 1 1 A 43 43 LEU CB C 655 43.757 42.187 1.570 1
1 454 . 1 1 1 A 44 44 LEU H H 656 6.524 7.743 -1.219 1
1 455 . 1 1 1 A 44 44 LEU HA H 656 4.570 4.132 0.438 1
1 465 . 1 1 1 A 44 44 LEU CA C 656 51.971 54.491 -2.520 1
1 466 . 1 1 1 A 44 44 LEU CB C 656 45.437 42.253 3.184 1
1 470 . 1 1 1 A 45 45 ASN H H 657 8.812 8.857 -0.045 1
1 471 . 1 1 1 A 45 45 ASN HA H 657 4.677 4.840 -0.163 1
1 476 . 1 1 1 A 45 45 ASN CA C 657 51.411 51.718 -0.307 1
1 477 . 1 1 1 A 45 45 ASN CB C 657 36.482 38.048 -1.566 1
1 478 . 1 1 1 A 46 46 PRO HA H 658 4.678 4.208 0.470 1
1 484 . 1 1 1 A 46 46 PRO CB C 658 32.369 31.807 0.562 1
1 487 . 1 1 1 A 47 47 LYS H H 659 7.930 7.869 0.061 1
1 488 . 1 1 1 A 47 47 LYS HA H 659 3.795 4.131 -0.336 1
1 494 . 1 1 1 A 47 47 LYS CA C 659 59.355 58.984 0.371 1
1 495 . 1 1 1 A 47 47 LYS CB C 659 32.369 32.935 -0.566 1
1 499 . 1 1 1 A 48 48 GLU H H 660 7.927 8.291 -0.364 1
1 500 . 1 1 1 A 48 48 GLU HA H 660 3.780 4.032 -0.252 1
1 505 . 1 1 1 A 48 48 GLU CA C 660 58.505 59.073 -0.568 1
1 506 . 1 1 1 A 48 48 GLU CB C 660 31.249 29.087 2.162 1
1 508 . 1 1 1 A 49 49 ARG H H 661 8.427 8.227 0.200 1
1 509 . 1 1 1 A 49 49 ARG HA H 661 3.792 3.790 0.002 1
1 515 . 1 1 1 A 49 49 ARG CA C 661 59.626 58.388 1.238 1
1 516 . 1 1 1 A 49 49 ARG CB C 661 31.249 29.376 1.873 1
1 519 . 1 1 1 A 50 50 LYS H H 662 6.770 7.982 -1.212 1
1 520 . 1 1 1 A 50 50 LYS HA H 662 3.416 3.814 -0.398 1
1 529 . 1 1 1 A 50 50 LYS CA C 662 58.505 59.237 -0.732 1
1 530 . 1 1 1 A 50 50 LYS CB C 662 31.996 31.972 0.024 1
1 534 . 1 1 1 A 51 51 GLN H H 663 7.507 7.714 -0.207 1
1 535 . 1 1 1 A 51 51 GLN HA H 663 4.006 4.078 -0.072 1
1 541 . 1 1 1 A 51 51 GLN CA C 663 59.252 58.563 0.689 1
1 542 . 1 1 1 A 51 51 GLN CB C 663 28.822 28.370 0.452 1
1 544 . 1 1 1 A 52 52 VAL H H 664 8.038 7.789 0.249 1
1 545 . 1 1 1 A 52 52 VAL HA H 664 3.640 3.756 -0.116 1
1 553 . 1 1 1 A 52 52 VAL CA C 664 66.533 66.121 0.412 1
1 554 . 1 1 1 A 52 52 VAL CB C 664 31.623 31.687 -0.064 1
1 557 . 1 1 1 A 53 53 PHE H H 665 8.756 7.914 0.842 1
1 558 . 1 1 1 A 53 53 PHE HA H 665 4.196 4.401 -0.205 1
1 564 . 1 1 1 A 53 53 PHE CA C 665 62.613 61.511 1.102 1
1 565 . 1 1 1 A 53 53 PHE CB C 665 40.397 39.291 1.106 1
1 568 . 1 1 1 A 54 54 ASP H H 666 9.000 8.188 0.812 1
1 569 . 1 1 1 A 54 54 ASP HA H 666 4.264 4.070 0.194 1
1 572 . 1 1 1 A 54 54 ASP CA C 666 57.572 57.401 0.171 1
1 573 . 1 1 1 A 54 54 ASP CB C 666 39.837 41.470 -1.633 1
1 574 . 1 1 1 A 55 55 GLN H H 667 7.619 7.913 -0.294 1
1 575 . 1 1 1 A 55 55 GLN HA H 667 4.027 4.125 -0.098 1
1 581 . 1 1 1 A 55 55 GLN CA C 667 58.692 58.511 0.181 1
1 582 . 1 1 1 A 55 55 GLN CB C 667 28.822 28.951 -0.129 1
1 584 . 1 1 1 A 56 56 TYR H H 668 8.525 7.898 0.627 1
1 585 . 1 1 1 A 56 56 TYR HA H 668 4.095 4.197 -0.102 1
1 592 . 1 1 1 A 56 56 TYR CA C 668 61.306 61.374 -0.068 1
1 593 . 1 1 1 A 56 56 TYR CB C 668 39.277 38.519 0.758 1
1 596 . 1 1 1 A 57 57 VAL H H 669 8.518 8.173 0.345 1
1 597 . 1 1 1 A 57 57 VAL HA H 669 3.076 3.557 -0.481 1
1 605 . 1 1 1 A 57 57 VAL CA C 669 66.720 66.216 0.504 1
1 606 . 1 1 1 A 57 57 VAL CB C 669 31.788 30.812 0.976 1
1 609 . 1 1 1 A 58 58 LYS H H 670 7.401 7.637 -0.236 1
1 610 . 1 1 1 A 58 58 LYS HA H 670 3.991 4.031 -0.040 1
1 616 . 1 1 1 A 58 58 LYS CA C 670 58.505 59.420 -0.915 1
1 617 . 1 1 1 A 58 58 LYS CB C 670 32.929 32.310 0.619 1
1 621 . 1 1 1 A 59 59 THR H H 671 7.976 7.545 0.431 1
1 622 . 1 1 1 A 59 59 THR HA H 671 3.960 3.947 0.013 1
1 627 . 1 1 1 A 59 59 THR CA C 671 65.599 65.261 0.338 1
1 628 . 1 1 1 A 59 59 THR CB C 671 69.327 68.811 0.516 1
1 630 . 1 1 1 A 60 60 ARG H H 672 8.262 8.029 0.233 1
1 631 . 1 1 1 A 60 60 ARG HA H 672 3.889 3.780 0.109 1
1 639 . 1 1 1 A 60 60 ARG CA C 672 57.572 59.258 -1.686 1
1 640 . 1 1 1 A 60 60 ARG CB C 672 29.584 29.578 0.006 1
1 643 . 1 1 1 A 61 61 ALA H H 673 7.955 7.656 0.299 1
1 644 . 1 1 1 A 61 61 ALA HA H 673 3.816 4.093 -0.277 1
1 648 . 1 1 1 A 61 61 ALA CA C 673 55.332 55.181 0.151 1
1 649 . 1 1 1 A 61 61 ALA CB C 673 18.566 18.111 0.455 1
1 650 . 1 1 1 A 62 62 GLU H H 674 7.286 7.750 -0.464 1
1 651 . 1 1 1 A 62 62 GLU HA H 674 4.029 3.993 0.036 1
1 656 . 1 1 1 A 62 62 GLU CA C 674 58.692 59.612 -0.920 1
1 657 . 1 1 1 A 62 62 GLU CB C 674 29.575 29.366 0.209 1
1 659 . 1 1 1 A 63 63 GLU H H 675 7.851 7.478 0.373 1
1 660 . 1 1 1 A 63 63 GLU HA H 675 4.031 4.177 -0.146 1
1 664 . 1 1 1 A 63 63 GLU CA C 675 58.879 59.015 -0.136 1
1 665 . 1 1 1 A 63 63 GLU CB C 675 30.316 30.022 0.294 1
1 667 . 1 1 1 A 64 64 GLU H H 676 8.266 8.674 -0.408 1
1 668 . 1 1 1 A 64 64 GLU HA H 676 4.026 4.341 -0.315 1
1 673 . 1 1 1 A 64 64 GLU CA C 676 58.879 58.438 0.441 1
1 674 . 1 1 1 A 64 64 GLU CB C 676 30.135 28.214 1.921 1
1 676 . 1 1 1 A 65 65 ARG H H 677 7.906 7.886 0.020 1
1 677 . 1 1 1 A 65 65 ARG HA H 677 4.093 4.195 -0.102 1
1 683 . 1 1 1 A 65 65 ARG CA C 677 58.132 58.629 -0.497 1
1 684 . 1 1 1 A 65 65 ARG CB C 677 30.695 30.497 0.198 1
1 687 . 1 1 1 A 66 66 ARG H H 678 7.801 7.953 -0.152 1
1 688 . 1 1 1 A 66 66 ARG HA H 678 4.094 4.054 0.040 1
1 693 . 1 1 1 A 66 66 ARG CA C 678 57.759 58.644 -0.885 1
1 694 . 1 1 1 A 66 66 ARG CB C 678 31.063 29.946 1.117 1
1 697 . 1 1 1 A 67 67 GLU H H 679 8.092 7.629 0.463 1
1 698 . 1 1 1 A 67 67 GLU HA H 679 4.110 4.300 -0.190 1
1 702 . 1 1 1 A 67 67 GLU CA C 679 57.385 58.335 -0.950 1
1 703 . 1 1 1 A 67 67 GLU CB C 679 30.135 30.203 -0.068 1
1 705 . 1 1 1 A 68 68 LYS H H 680 8.075 7.592 0.483 1
1 706 . 1 1 1 A 68 68 LYS HA H 680 4.198 4.562 -0.364 1
1 711 . 1 1 1 A 68 68 LYS CA C 680 56.825 55.261 1.564 1
1 712 . 1 1 1 A 68 68 LYS CB C 680 32.929 33.566 -0.637 1
1 715 . 1 1 1 A 69 69 LYS H H 681 8.130 8.019 0.111 1
1 716 . 1 1 1 A 69 69 LYS HA H 681 4.222 3.945 0.277 1
1 721 . 1 1 1 A 69 69 LYS CA C 681 56.639 57.494 -0.855 1
1 722 . 1 1 1 A 69 69 LYS CB C 681 33.303 30.320 2.983 1
1 725 . 1 1 1 A 70 70 ASN H H 682 8.334 8.574 -0.240 1
1 726 . 1 1 1 A 70 70 ASN HA H 682 4.638 4.630 0.008 1
1 730 . 1 1 1 A 70 70 ASN CA C 682 53.465 55.869 -2.404 1
1 731 . 1 1 1 A 70 70 ASN CB C 682 39.277 38.038 1.239 1
1 1 . 2 1 1 A 2 2 ALA H H 614 8.560 7.601 0.959 1
1 2 . 2 1 1 A 2 2 ALA HA H 614 4.296 4.363 -0.067 1
1 6 . 2 1 1 A 2 2 ALA CA C 614 52.718 52.517 0.201 1
1 7 . 2 1 1 A 2 2 ALA CB C 614 19.861 20.036 -0.175 1
1 8 . 2 1 1 A 3 3 MET H H 615 8.554 7.789 0.765 1
1 9 . 2 1 1 A 3 3 MET HA H 615 4.397 4.872 -0.475 1
1 13 . 2 1 1 A 3 3 MET CA C 615 55.892 54.325 1.567 1
1 14 . 2 1 1 A 3 3 MET CB C 615 32.332 33.834 -1.502 1
1 16 . 2 1 1 A 4 4 GLY H H 616 8.503 8.810 -0.307 1
1 17 . 2 1 1 A 4 4 GLY HA2 H 616 3.957 4.190 -0.233 1
1 18 . 2 1 1 A 4 4 GLY CA C 616 45.064 45.265 -0.201 1
1 19 . 2 1 1 A 5 5 SER H H 617 8.468 8.204 0.264 1
1 20 . 2 1 1 A 5 5 SER HA H 617 4.354 4.103 0.251 1
1 23 . 2 1 1 A 5 5 SER CA C 617 58.505 60.812 -2.307 1
1 24 . 2 1 1 A 5 5 SER CB C 617 64.666 61.806 2.860 1
1 25 . 2 1 1 A 6 6 LEU H H 618 8.773 8.357 0.416 1
1 26 . 2 1 1 A 6 6 LEU HA H 618 3.939 4.149 -0.210 1
1 36 . 2 1 1 A 6 6 LEU CA C 618 58.879 57.126 1.753 1
1 37 . 2 1 1 A 6 6 LEU CB C 618 41.517 42.136 -0.619 1
1 41 . 2 1 1 A 7 7 GLU H H 619 8.700 8.284 0.416 1
1 42 . 2 1 1 A 7 7 GLU HA H 619 3.822 3.979 -0.157 1
1 46 . 2 1 1 A 7 7 GLU CA C 619 60.537 59.243 1.294 1
1 47 . 2 1 1 A 7 7 GLU CB C 619 29.382 29.226 0.156 1
1 49 . 2 1 1 A 8 8 ALA H H 620 7.936 8.139 -0.203 1
1 50 . 2 1 1 A 8 8 ALA HA H 620 4.111 4.121 -0.010 1
1 54 . 2 1 1 A 8 8 ALA CA C 620 55.332 54.885 0.447 1
1 55 . 2 1 1 A 8 8 ALA CB C 620 18.741 18.466 0.275 1
1 56 . 2 1 1 A 9 9 ARG H H 621 8.378 7.922 0.456 1
1 57 . 2 1 1 A 9 9 ARG HA H 621 4.026 4.149 -0.123 1
1 65 . 2 1 1 A 9 9 ARG CA C 621 60.559 58.866 1.693 1
1 66 . 2 1 1 A 9 9 ARG CB C 621 30.689 29.900 0.789 1
1 69 . 2 1 1 A 10 10 MET H H 622 8.972 8.459 0.513 1
1 70 . 2 1 1 A 10 10 MET HA H 622 3.938 4.451 -0.513 1
1 78 . 2 1 1 A 10 10 MET CA C 622 60.746 57.116 3.630 1
1 79 . 2 1 1 A 10 10 MET CB C 622 33.293 31.864 1.429 1
1 82 . 2 1 1 A 11 11 LYS H H 623 7.762 7.967 -0.205 1
1 83 . 2 1 1 A 11 11 LYS HA H 623 4.008 4.250 -0.242 1
1 89 . 2 1 1 A 11 11 LYS CA C 623 59.812 59.029 0.783 1
1 90 . 2 1 1 A 11 11 LYS CB C 623 32.369 32.693 -0.324 1
1 94 . 2 1 1 A 12 12 GLN H H 624 7.820 8.375 -0.555 1
1 95 . 2 1 1 A 12 12 GLN HA H 624 4.112 4.140 -0.028 1
1 102 . 2 1 1 A 12 12 GLN CA C 624 59.626 58.785 0.841 1
1 103 . 2 1 1 A 12 12 GLN CB C 624 30.316 29.489 0.827 1
1 105 . 2 1 1 A 13 13 PHE H H 625 8.269 8.067 0.202 1
1 106 . 2 1 1 A 13 13 PHE HA H 625 3.801 4.155 -0.354 1
1 114 . 2 1 1 A 13 13 PHE CA C 625 61.679 61.248 0.431 1
1 115 . 2 1 1 A 13 13 PHE CB C 625 40.770 39.462 1.308 1
1 119 . 2 1 1 A 14 14 LYS H H 626 8.514 8.085 0.429 1
1 120 . 2 1 1 A 14 14 LYS HA H 626 3.642 3.998 -0.356 1
1 126 . 2 1 1 A 14 14 LYS CA C 626 61.119 60.159 0.960 1
1 127 . 2 1 1 A 14 14 LYS CB C 626 32.369 32.307 0.062 1
1 131 . 2 1 1 A 15 15 ASP H H 627 8.586 8.365 0.221 1
1 132 . 2 1 1 A 15 15 ASP HA H 627 4.293 4.301 -0.008 1
1 135 . 2 1 1 A 15 15 ASP CA C 627 57.385 57.866 -0.481 1
1 136 . 2 1 1 A 15 15 ASP CB C 627 39.650 41.601 -1.951 1
1 137 . 2 1 1 A 16 16 MET H H 628 7.744 7.719 0.025 1
1 138 . 2 1 1 A 16 16 MET HA H 628 3.647 4.046 -0.399 1
1 146 . 2 1 1 A 16 16 MET CA C 628 59.626 58.266 1.360 1
1 147 . 2 1 1 A 16 16 MET CB C 628 31.050 32.288 -1.238 1
1 150 . 2 1 1 A 17 17 LEU H H 629 7.522 7.950 -0.428 1
1 151 . 2 1 1 A 17 17 LEU HA H 629 3.325 3.705 -0.380 1
1 160 . 2 1 1 A 17 17 LEU CA C 629 58.132 57.506 0.626 1
1 161 . 2 1 1 A 17 17 LEU CB C 629 39.837 41.031 -1.194 1
1 165 . 2 1 1 A 18 18 LEU H H 630 6.961 7.506 -0.545 1
1 166 . 2 1 1 A 18 18 LEU HA H 630 4.374 4.240 0.134 1
1 175 . 2 1 1 A 18 18 LEU CA C 630 57.759 56.386 1.373 1
1 176 . 2 1 1 A 18 18 LEU CB C 630 42.824 41.864 0.960 1
1 180 . 2 1 1 A 19 19 GLU H H 631 8.539 8.086 0.453 1
1 181 . 2 1 1 A 19 19 GLU HA H 631 3.863 4.041 -0.178 1
1 186 . 2 1 1 A 19 19 GLU CA C 631 59.439 59.715 -0.276 1
1 187 . 2 1 1 A 19 19 GLU CB C 631 30.876 29.008 1.868 1
1 189 . 2 1 1 A 20 20 ARG H H 632 8.380 7.491 0.889 1
1 190 . 2 1 1 A 20 20 ARG HA H 632 4.259 4.321 -0.062 1
1 197 . 2 1 1 A 20 20 ARG CA C 632 54.025 54.992 -0.967 1
1 198 . 2 1 1 A 20 20 ARG CB C 632 29.569 29.710 -0.141 1
1 201 . 2 1 1 A 21 21 GLY H H 633 7.683 7.827 -0.144 1
1 202 . 2 1 1 A 21 21 GLY HA2 H 633 3.830 3.893 -0.063 1
1 203 . 2 1 1 A 21 21 GLY CA C 633 47.118 46.504 0.614 1
1 204 . 2 1 1 A 22 22 VAL H H 634 8.098 8.277 -0.179 1
1 205 . 2 1 1 A 22 22 VAL HA H 634 3.796 4.480 -0.684 1
1 213 . 2 1 1 A 22 22 VAL CA C 634 64.106 61.326 2.780 1
1 214 . 2 1 1 A 22 22 VAL CB C 634 30.876 29.516 1.360 1
1 217 . 2 1 1 A 23 23 SER H H 635 9.022 8.088 0.934 1
1 218 . 2 1 1 A 23 23 SER HA H 635 4.489 3.977 0.512 1
1 221 . 2 1 1 A 23 23 SER CA C 635 57.199 58.923 -1.724 1
1 222 . 2 1 1 A 23 23 SER CB C 635 64.479 63.028 1.451 1
1 223 . 2 1 1 A 24 24 ALA H H 636 8.918 8.310 0.608 1
1 224 . 2 1 1 A 24 24 ALA HA H 636 3.996 4.178 -0.182 1
1 228 . 2 1 1 A 24 24 ALA CA C 636 52.345 53.300 -0.955 1
1 229 . 2 1 1 A 24 24 ALA CB C 636 19.301 17.896 1.405 1
1 230 . 2 1 1 A 25 25 PHE H H 637 8.119 6.784 1.335 1
1 231 . 2 1 1 A 25 25 PHE HA H 637 4.702 4.812 -0.110 1
1 238 . 2 1 1 A 25 25 PHE CA C 637 56.639 55.766 0.873 1
1 239 . 2 1 1 A 25 25 PHE CB C 637 38.903 38.663 0.240 1
1 244 . 2 1 1 A 26 26 SER H H 638 7.800 8.256 -0.456 1
1 245 . 2 1 1 A 26 26 SER HA H 638 4.818 5.011 -0.193 1
1 248 . 2 1 1 A 26 26 SER CB C 638 64.666 65.383 -0.717 1
1 249 . 2 1 1 A 27 27 THR H H 639 8.881 8.429 0.452 1
1 250 . 2 1 1 A 27 27 THR HA H 639 4.943 4.858 0.085 1
1 255 . 2 1 1 A 27 27 THR CA C 639 59.252 60.724 -1.472 1
1 256 . 2 1 1 A 27 27 THR CB C 639 72.880 70.427 2.453 1
1 258 . 2 1 1 A 28 28 TRP H H 640 9.322 9.255 0.067 1
1 259 . 2 1 1 A 28 28 TRP HA H 640 3.552 3.941 -0.389 1
1 267 . 2 1 1 A 28 28 TRP CA C 640 60.186 60.942 -0.756 1
1 268 . 2 1 1 A 28 28 TRP CB C 640 29.948 29.598 0.350 1
1 274 . 2 1 1 A 29 29 GLU H H 641 8.839 7.640 1.199 1
1 275 . 2 1 1 A 29 29 GLU HA H 641 3.573 4.077 -0.504 1
1 280 . 2 1 1 A 29 29 GLU CA C 641 60.746 59.405 1.341 1
1 281 . 2 1 1 A 29 29 GLU CB C 641 29.196 29.681 -0.485 1
1 283 . 2 1 1 A 30 30 LYS H H 642 7.667 7.722 -0.055 1
1 284 . 2 1 1 A 30 30 LYS HA H 642 4.118 4.000 0.118 1
1 291 . 2 1 1 A 30 30 LYS CA C 642 58.879 59.703 -0.824 1
1 292 . 2 1 1 A 30 30 LYS CB C 642 33.293 31.963 1.330 1
1 296 . 2 1 1 A 31 31 GLU H H 643 7.748 7.779 -0.031 1
1 297 . 2 1 1 A 31 31 GLU HA H 643 4.047 3.829 0.218 1
1 302 . 2 1 1 A 31 31 GLU CA C 643 56.265 58.874 -2.609 1
1 303 . 2 1 1 A 31 31 GLU CB C 643 31.623 29.284 2.339 1
1 305 . 2 1 1 A 32 32 LEU H H 644 7.218 7.431 -0.213 1
1 306 . 2 1 1 A 32 32 LEU HA H 644 3.140 3.272 -0.132 1
1 316 . 2 1 1 A 32 32 LEU CA C 644 58.132 57.749 0.383 1
1 317 . 2 1 1 A 32 32 LEU CB C 644 41.890 41.325 0.565 1
1 321 . 2 1 1 A 33 33 HIS H H 645 8.471 7.867 0.604 1
1 322 . 2 1 1 A 33 33 HIS HA H 645 4.005 4.198 -0.193 1
1 327 . 2 1 1 A 33 33 HIS CA C 645 58.505 59.138 -0.633 1
1 328 . 2 1 1 A 33 33 HIS CB C 645 28.449 28.702 -0.253 1
1 331 . 2 1 1 A 34 34 LYS H H 646 7.429 6.968 0.461 1
1 332 . 2 1 1 A 34 34 LYS HA H 646 3.816 3.781 0.035 1
1 340 . 2 1 1 A 34 34 LYS CA C 646 58.505 59.267 -0.762 1
1 341 . 2 1 1 A 34 34 LYS CB C 646 34.615 32.059 2.556 1
1 345 . 2 1 1 A 35 35 ILE H H 647 7.152 7.443 -0.291 1
1 346 . 2 1 1 A 35 35 ILE HA H 647 4.156 3.868 0.288 1
1 354 . 2 1 1 A 35 35 ILE CA C 647 61.492 63.794 -2.302 1
1 355 . 2 1 1 A 35 35 ILE CB C 647 40.957 38.015 2.942 1
1 358 . 2 1 1 A 36 36 VAL H H 648 6.892 8.106 -1.214 1
1 359 . 2 1 1 A 36 36 VAL HA H 648 2.231 3.726 -1.495 1
1 367 . 2 1 1 A 36 36 VAL CA C 648 63.733 65.239 -1.506 1
1 368 . 2 1 1 A 36 36 VAL CB C 648 31.436 30.980 0.456 1
1 371 . 2 1 1 A 37 37 PHE H H 649 7.254 7.541 -0.287 1
1 372 . 2 1 1 A 37 37 PHE HA H 649 4.629 4.197 0.432 1
1 378 . 2 1 1 A 37 37 PHE CA C 649 56.078 60.066 -3.988 1
1 379 . 2 1 1 A 37 37 PHE CB C 649 38.717 39.346 -0.629 1
1 383 . 2 1 1 A 38 38 ASP H H 650 7.527 8.042 -0.515 1
1 384 . 2 1 1 A 38 38 ASP HA H 650 4.690 5.117 -0.427 1
1 387 . 2 1 1 A 38 38 ASP CA C 650 51.971 50.501 1.470 1
1 388 . 2 1 1 A 38 38 ASP CB C 650 44.055 43.023 1.032 1
1 389 . 2 1 1 A 39 39 PRO HA H 651 4.267 4.592 -0.325 1
1 395 . 2 1 1 A 39 39 PRO CA C 651 65.599 63.978 1.621 1
1 396 . 2 1 1 A 39 39 PRO CB C 651 32.556 32.159 0.397 1
1 399 . 2 1 1 A 40 40 ARG H H 652 9.454 8.721 0.733 1
1 400 . 2 1 1 A 40 40 ARG HA H 652 3.978 4.267 -0.289 1
1 408 . 2 1 1 A 40 40 ARG CA C 652 58.505 57.785 0.720 1
1 409 . 2 1 1 A 40 40 ARG CB C 652 30.129 29.343 0.786 1
1 412 . 2 1 1 A 41 41 TYR H H 653 8.320 7.877 0.443 1
1 413 . 2 1 1 A 41 41 TYR HA H 653 4.145 4.309 -0.164 1
1 419 . 2 1 1 A 41 41 TYR CA C 653 61.119 60.186 0.933 1
1 420 . 2 1 1 A 41 41 TYR CB C 653 40.127 39.262 0.865 1
1 423 . 2 1 1 A 42 42 LEU H H 654 6.993 7.400 -0.407 1
1 424 . 2 1 1 A 42 42 LEU HA H 654 4.081 4.458 -0.377 1
1 433 . 2 1 1 A 42 42 LEU CA C 654 54.772 54.188 0.584 1
1 434 . 2 1 1 A 42 42 LEU CB C 654 41.890 41.703 0.187 1
1 438 . 2 1 1 A 43 43 LEU H H 655 7.492 8.003 -0.511 1
1 439 . 2 1 1 A 43 43 LEU HA H 655 4.053 4.125 -0.072 1
1 449 . 2 1 1 A 43 43 LEU CA C 655 56.452 57.988 -1.536 1
1 450 . 2 1 1 A 43 43 LEU CB C 655 43.757 42.092 1.665 1
1 454 . 2 1 1 A 44 44 LEU H H 656 6.524 7.464 -0.940 1
1 455 . 2 1 1 A 44 44 LEU HA H 656 4.570 4.171 0.399 1
1 465 . 2 1 1 A 44 44 LEU CA C 656 51.971 54.416 -2.445 1
1 466 . 2 1 1 A 44 44 LEU CB C 656 45.437 41.684 3.753 1
1 470 . 2 1 1 A 45 45 ASN H H 657 8.812 8.720 0.092 1
1 471 . 2 1 1 A 45 45 ASN HA H 657 4.677 5.004 -0.327 1
1 476 . 2 1 1 A 45 45 ASN CA C 657 51.411 51.086 0.325 1
1 477 . 2 1 1 A 45 45 ASN CB C 657 36.482 38.431 -1.949 1
1 478 . 2 1 1 A 46 46 PRO HA H 658 4.678 4.264 0.414 1
1 484 . 2 1 1 A 46 46 PRO CB C 658 32.369 31.850 0.519 1
1 487 . 2 1 1 A 47 47 LYS H H 659 7.930 8.080 -0.150 1
1 488 . 2 1 1 A 47 47 LYS HA H 659 3.795 4.242 -0.447 1
1 494 . 2 1 1 A 47 47 LYS CA C 659 59.355 58.888 0.467 1
1 495 . 2 1 1 A 47 47 LYS CB C 659 32.369 33.311 -0.942 1
1 499 . 2 1 1 A 48 48 GLU H H 660 7.927 8.270 -0.343 1
1 500 . 2 1 1 A 48 48 GLU HA H 660 3.780 4.057 -0.277 1
1 505 . 2 1 1 A 48 48 GLU CA C 660 58.505 59.363 -0.858 1
1 506 . 2 1 1 A 48 48 GLU CB C 660 31.249 29.142 2.107 1
1 508 . 2 1 1 A 49 49 ARG H H 661 8.427 7.889 0.538 1
1 509 . 2 1 1 A 49 49 ARG HA H 661 3.792 3.998 -0.206 1
1 515 . 2 1 1 A 49 49 ARG CA C 661 59.626 58.728 0.898 1
1 516 . 2 1 1 A 49 49 ARG CB C 661 31.249 29.930 1.319 1
1 519 . 2 1 1 A 50 50 LYS H H 662 6.770 7.650 -0.880 1
1 520 . 2 1 1 A 50 50 LYS HA H 662 3.416 3.939 -0.523 1
1 529 . 2 1 1 A 50 50 LYS CA C 662 58.505 59.366 -0.861 1
1 530 . 2 1 1 A 50 50 LYS CB C 662 31.996 32.061 -0.065 1
1 534 . 2 1 1 A 51 51 GLN H H 663 7.507 7.802 -0.295 1
1 535 . 2 1 1 A 51 51 GLN HA H 663 4.006 4.123 -0.117 1
1 541 . 2 1 1 A 51 51 GLN CA C 663 59.252 58.507 0.745 1
1 542 . 2 1 1 A 51 51 GLN CB C 663 28.822 28.524 0.298 1
1 544 . 2 1 1 A 52 52 VAL H H 664 8.038 7.610 0.428 1
1 545 . 2 1 1 A 52 52 VAL HA H 664 3.640 3.765 -0.125 1
1 553 . 2 1 1 A 52 52 VAL CA C 664 66.533 65.909 0.624 1
1 554 . 2 1 1 A 52 52 VAL CB C 664 31.623 31.557 0.066 1
1 557 . 2 1 1 A 53 53 PHE H H 665 8.756 8.056 0.700 1
1 558 . 2 1 1 A 53 53 PHE HA H 665 4.196 4.382 -0.186 1
1 564 . 2 1 1 A 53 53 PHE CA C 665 62.613 61.474 1.139 1
1 565 . 2 1 1 A 53 53 PHE CB C 665 40.397 39.374 1.023 1
1 568 . 2 1 1 A 54 54 ASP H H 666 9.000 8.280 0.720 1
1 569 . 2 1 1 A 54 54 ASP HA H 666 4.264 4.110 0.154 1
1 572 . 2 1 1 A 54 54 ASP CA C 666 57.572 57.001 0.571 1
1 573 . 2 1 1 A 54 54 ASP CB C 666 39.837 40.131 -0.294 1
1 574 . 2 1 1 A 55 55 GLN H H 667 7.619 7.979 -0.360 1
1 575 . 2 1 1 A 55 55 GLN HA H 667 4.027 4.133 -0.106 1
1 581 . 2 1 1 A 55 55 GLN CA C 667 58.692 58.608 0.084 1
1 582 . 2 1 1 A 55 55 GLN CB C 667 28.822 28.861 -0.039 1
1 584 . 2 1 1 A 56 56 TYR H H 668 8.525 7.914 0.611 1
1 585 . 2 1 1 A 56 56 TYR HA H 668 4.095 4.199 -0.104 1
1 592 . 2 1 1 A 56 56 TYR CA C 668 61.306 61.343 -0.037 1
1 593 . 2 1 1 A 56 56 TYR CB C 668 39.277 38.777 0.500 1
1 596 . 2 1 1 A 57 57 VAL H H 669 8.518 8.232 0.286 1
1 597 . 2 1 1 A 57 57 VAL HA H 669 3.076 3.584 -0.508 1
1 605 . 2 1 1 A 57 57 VAL CA C 669 66.720 65.999 0.721 1
1 606 . 2 1 1 A 57 57 VAL CB C 669 31.788 31.078 0.710 1
1 609 . 2 1 1 A 58 58 LYS H H 670 7.401 7.558 -0.157 1
1 610 . 2 1 1 A 58 58 LYS HA H 670 3.991 4.052 -0.061 1
1 616 . 2 1 1 A 58 58 LYS CA C 670 58.505 59.275 -0.770 1
1 617 . 2 1 1 A 58 58 LYS CB C 670 32.929 32.344 0.585 1
1 621 . 2 1 1 A 59 59 THR H H 671 7.976 7.727 0.249 1
1 622 . 2 1 1 A 59 59 THR HA H 671 3.960 3.900 0.060 1
1 627 . 2 1 1 A 59 59 THR CA C 671 65.599 65.133 0.466 1
1 628 . 2 1 1 A 59 59 THR CB C 671 69.327 68.803 0.524 1
1 630 . 2 1 1 A 60 60 ARG H H 672 8.262 7.861 0.401 1
1 631 . 2 1 1 A 60 60 ARG HA H 672 3.889 3.884 0.005 1
1 639 . 2 1 1 A 60 60 ARG CA C 672 57.572 59.342 -1.770 1
1 640 . 2 1 1 A 60 60 ARG CB C 672 29.584 29.364 0.220 1
1 643 . 2 1 1 A 61 61 ALA H H 673 7.955 7.941 0.014 1
1 644 . 2 1 1 A 61 61 ALA HA H 673 3.816 4.165 -0.349 1
1 648 . 2 1 1 A 61 61 ALA CA C 673 55.332 55.004 0.328 1
1 649 . 2 1 1 A 61 61 ALA CB C 673 18.566 18.500 0.066 1
1 650 . 2 1 1 A 62 62 GLU H H 674 7.286 7.891 -0.605 1
1 651 . 2 1 1 A 62 62 GLU HA H 674 4.029 3.959 0.070 1
1 656 . 2 1 1 A 62 62 GLU CA C 674 58.692 59.637 -0.945 1
1 657 . 2 1 1 A 62 62 GLU CB C 674 29.575 29.458 0.117 1
1 659 . 2 1 1 A 63 63 GLU H H 675 7.851 7.775 0.076 1
1 660 . 2 1 1 A 63 63 GLU HA H 675 4.031 4.121 -0.090 1
1 664 . 2 1 1 A 63 63 GLU CA C 675 58.879 59.186 -0.307 1
1 665 . 2 1 1 A 63 63 GLU CB C 675 30.316 29.497 0.819 1
1 667 . 2 1 1 A 64 64 GLU H H 676 8.266 8.415 -0.149 1
1 668 . 2 1 1 A 64 64 GLU HA H 676 4.026 3.983 0.043 1
1 673 . 2 1 1 A 64 64 GLU CA C 676 58.879 59.413 -0.534 1
1 674 . 2 1 1 A 64 64 GLU CB C 676 30.135 29.276 0.859 1
1 676 . 2 1 1 A 65 65 ARG H H 677 7.906 8.023 -0.117 1
1 677 . 2 1 1 A 65 65 ARG HA H 677 4.093 4.005 0.088 1
1 683 . 2 1 1 A 65 65 ARG CA C 677 58.132 59.229 -1.097 1
1 684 . 2 1 1 A 65 65 ARG CB C 677 30.695 29.772 0.923 1
1 687 . 2 1 1 A 66 66 ARG H H 678 7.801 7.841 -0.040 1
1 688 . 2 1 1 A 66 66 ARG HA H 678 4.094 4.137 -0.043 1
1 693 . 2 1 1 A 66 66 ARG CA C 678 57.759 57.884 -0.125 1
1 694 . 2 1 1 A 66 66 ARG CB C 678 31.063 29.346 1.717 1
1 697 . 2 1 1 A 67 67 GLU H H 679 8.092 8.064 0.028 1
1 698 . 2 1 1 A 67 67 GLU HA H 679 4.110 4.218 -0.108 1
1 702 . 2 1 1 A 67 67 GLU CA C 679 57.385 58.667 -1.282 1
1 703 . 2 1 1 A 67 67 GLU CB C 679 30.135 30.220 -0.085 1
1 705 . 2 1 1 A 68 68 LYS H H 680 8.075 7.806 0.269 1
1 706 . 2 1 1 A 68 68 LYS HA H 680 4.198 4.076 0.122 1
1 711 . 2 1 1 A 68 68 LYS CA C 680 56.825 59.168 -2.343 1
1 712 . 2 1 1 A 68 68 LYS CB C 680 32.929 32.110 0.819 1
1 715 . 2 1 1 A 69 69 LYS H H 681 8.130 7.507 0.623 1
1 716 . 2 1 1 A 69 69 LYS HA H 681 4.222 4.306 -0.084 1
1 721 . 2 1 1 A 69 69 LYS CA C 681 56.639 56.798 -0.159 1
1 722 . 2 1 1 A 69 69 LYS CB C 681 33.303 31.201 2.102 1
1 725 . 2 1 1 A 70 70 ASN H H 682 8.334 8.245 0.089 1
1 726 . 2 1 1 A 70 70 ASN HA H 682 4.638 4.710 -0.072 1
1 730 . 2 1 1 A 70 70 ASN CA C 682 53.465 52.143 1.322 1
1 731 . 2 1 1 A 70 70 ASN CB C 682 39.277 37.438 1.839 1
1 1 . 3 1 1 A 2 2 ALA H H 614 8.560 9.261 -0.701 1
1 2 . 3 1 1 A 2 2 ALA HA H 614 4.296 4.030 0.266 1
1 6 . 3 1 1 A 2 2 ALA CA C 614 52.718 53.352 -0.634 1
1 7 . 3 1 1 A 2 2 ALA CB C 614 19.861 18.320 1.541 1
1 8 . 3 1 1 A 3 3 MET H H 615 8.554 9.154 -0.600 1
1 9 . 3 1 1 A 3 3 MET HA H 615 4.397 4.171 0.226 1
1 13 . 3 1 1 A 3 3 MET CA C 615 55.892 56.864 -0.972 1
1 14 . 3 1 1 A 3 3 MET CB C 615 32.332 30.909 1.423 1
1 16 . 3 1 1 A 4 4 GLY H H 616 8.503 8.391 0.112 1
1 17 . 3 1 1 A 4 4 GLY HA2 H 616 3.957 3.896 0.061 1
1 18 . 3 1 1 A 4 4 GLY CA C 616 45.064 45.204 -0.140 1
1 19 . 3 1 1 A 5 5 SER H H 617 8.468 8.270 0.198 1
1 20 . 3 1 1 A 5 5 SER HA H 617 4.354 4.098 0.256 1
1 23 . 3 1 1 A 5 5 SER CA C 617 58.505 60.810 -2.305 1
1 24 . 3 1 1 A 5 5 SER CB C 617 64.666 61.750 2.916 1
1 25 . 3 1 1 A 6 6 LEU H H 618 8.773 8.332 0.441 1
1 26 . 3 1 1 A 6 6 LEU HA H 618 3.939 4.133 -0.194 1
1 36 . 3 1 1 A 6 6 LEU CA C 618 58.879 57.606 1.273 1
1 37 . 3 1 1 A 6 6 LEU CB C 618 41.517 41.661 -0.144 1
1 41 . 3 1 1 A 7 7 GLU H H 619 8.700 8.100 0.600 1
1 42 . 3 1 1 A 7 7 GLU HA H 619 3.822 3.989 -0.167 1
1 46 . 3 1 1 A 7 7 GLU CA C 619 60.537 59.111 1.426 1
1 47 . 3 1 1 A 7 7 GLU CB C 619 29.382 29.405 -0.023 1
1 49 . 3 1 1 A 8 8 ALA H H 620 7.936 8.079 -0.143 1
1 50 . 3 1 1 A 8 8 ALA HA H 620 4.111 4.046 0.065 1
1 54 . 3 1 1 A 8 8 ALA CA C 620 55.332 54.992 0.340 1
1 55 . 3 1 1 A 8 8 ALA CB C 620 18.741 18.391 0.350 1
1 56 . 3 1 1 A 9 9 ARG H H 621 8.378 7.596 0.782 1
1 57 . 3 1 1 A 9 9 ARG HA H 621 4.026 4.114 -0.088 1
1 65 . 3 1 1 A 9 9 ARG CA C 621 60.559 58.927 1.632 1
1 66 . 3 1 1 A 9 9 ARG CB C 621 30.689 29.912 0.777 1
1 69 . 3 1 1 A 10 10 MET H H 622 8.972 8.256 0.716 1
1 70 . 3 1 1 A 10 10 MET HA H 622 3.938 4.379 -0.441 1
1 78 . 3 1 1 A 10 10 MET CA C 622 60.746 57.263 3.483 1
1 79 . 3 1 1 A 10 10 MET CB C 622 33.293 31.846 1.447 1
1 82 . 3 1 1 A 11 11 LYS H H 623 7.762 7.790 -0.028 1
1 83 . 3 1 1 A 11 11 LYS HA H 623 4.008 4.150 -0.142 1
1 89 . 3 1 1 A 11 11 LYS CA C 623 59.812 59.235 0.577 1
1 90 . 3 1 1 A 11 11 LYS CB C 623 32.369 32.800 -0.431 1
1 94 . 3 1 1 A 12 12 GLN H H 624 7.820 8.268 -0.448 1
1 95 . 3 1 1 A 12 12 GLN HA H 624 4.112 4.123 -0.011 1
1 102 . 3 1 1 A 12 12 GLN CA C 624 59.626 58.610 1.016 1
1 103 . 3 1 1 A 12 12 GLN CB C 624 30.316 29.405 0.911 1
1 105 . 3 1 1 A 13 13 PHE H H 625 8.269 8.085 0.184 1
1 106 . 3 1 1 A 13 13 PHE HA H 625 3.801 4.200 -0.399 1
1 114 . 3 1 1 A 13 13 PHE CA C 625 61.679 61.147 0.532 1
1 115 . 3 1 1 A 13 13 PHE CB C 625 40.770 39.553 1.217 1
1 119 . 3 1 1 A 14 14 LYS H H 626 8.514 8.104 0.410 1
1 120 . 3 1 1 A 14 14 LYS HA H 626 3.642 3.986 -0.344 1
1 126 . 3 1 1 A 14 14 LYS CA C 626 61.119 60.002 1.117 1
1 127 . 3 1 1 A 14 14 LYS CB C 626 32.369 32.678 -0.309 1
1 131 . 3 1 1 A 15 15 ASP H H 627 8.586 8.264 0.322 1
1 132 . 3 1 1 A 15 15 ASP HA H 627 4.293 4.305 -0.012 1
1 135 . 3 1 1 A 15 15 ASP CA C 627 57.385 57.862 -0.477 1
1 136 . 3 1 1 A 15 15 ASP CB C 627 39.650 41.903 -2.253 1
1 137 . 3 1 1 A 16 16 MET H H 628 7.744 7.767 -0.023 1
1 138 . 3 1 1 A 16 16 MET HA H 628 3.647 4.005 -0.358 1
1 146 . 3 1 1 A 16 16 MET CA C 628 59.626 58.477 1.149 1
1 147 . 3 1 1 A 16 16 MET CB C 628 31.050 32.279 -1.229 1
1 150 . 3 1 1 A 17 17 LEU H H 629 7.522 7.942 -0.420 1
1 151 . 3 1 1 A 17 17 LEU HA H 629 3.325 3.671 -0.346 1
1 160 . 3 1 1 A 17 17 LEU CA C 629 58.132 57.493 0.639 1
1 161 . 3 1 1 A 17 17 LEU CB C 629 39.837 40.808 -0.971 1
1 165 . 3 1 1 A 18 18 LEU H H 630 6.961 7.518 -0.557 1
1 166 . 3 1 1 A 18 18 LEU HA H 630 4.374 4.468 -0.094 1
1 175 . 3 1 1 A 18 18 LEU CA C 630 57.759 56.293 1.466 1
1 176 . 3 1 1 A 18 18 LEU CB C 630 42.824 41.945 0.879 1
1 180 . 3 1 1 A 19 19 GLU H H 631 8.539 8.096 0.443 1
1 181 . 3 1 1 A 19 19 GLU HA H 631 3.863 4.092 -0.229 1
1 186 . 3 1 1 A 19 19 GLU CA C 631 59.439 59.409 0.030 1
1 187 . 3 1 1 A 19 19 GLU CB C 631 30.876 29.791 1.085 1
1 189 . 3 1 1 A 20 20 ARG H H 632 8.380 7.502 0.878 1
1 190 . 3 1 1 A 20 20 ARG HA H 632 4.259 4.341 -0.082 1
1 197 . 3 1 1 A 20 20 ARG CA C 632 54.025 56.001 -1.976 1
1 198 . 3 1 1 A 20 20 ARG CB C 632 29.569 31.222 -1.653 1
1 201 . 3 1 1 A 21 21 GLY H H 633 7.683 7.821 -0.138 1
1 202 . 3 1 1 A 21 21 GLY HA2 H 633 3.830 3.957 -0.127 1
1 203 . 3 1 1 A 21 21 GLY CA C 633 47.118 46.286 0.832 1
1 204 . 3 1 1 A 22 22 VAL H H 634 8.098 8.031 0.067 1
1 205 . 3 1 1 A 22 22 VAL HA H 634 3.796 4.453 -0.657 1
1 213 . 3 1 1 A 22 22 VAL CA C 634 64.106 61.440 2.666 1
1 214 . 3 1 1 A 22 22 VAL CB C 634 30.876 29.619 1.257 1
1 217 . 3 1 1 A 23 23 SER H H 635 9.022 8.229 0.793 1
1 218 . 3 1 1 A 23 23 SER HA H 635 4.489 3.959 0.530 1
1 221 . 3 1 1 A 23 23 SER CA C 635 57.199 58.934 -1.735 1
1 222 . 3 1 1 A 23 23 SER CB C 635 64.479 63.075 1.404 1
1 223 . 3 1 1 A 24 24 ALA H H 636 8.918 8.487 0.431 1
1 224 . 3 1 1 A 24 24 ALA HA H 636 3.996 4.192 -0.196 1
1 228 . 3 1 1 A 24 24 ALA CA C 636 52.345 53.593 -1.248 1
1 229 . 3 1 1 A 24 24 ALA CB C 636 19.301 18.245 1.056 1
1 230 . 3 1 1 A 25 25 PHE H H 637 8.119 6.823 1.296 1
1 231 . 3 1 1 A 25 25 PHE HA H 637 4.702 4.830 -0.128 1
1 238 . 3 1 1 A 25 25 PHE CA C 637 56.639 55.847 0.792 1
1 239 . 3 1 1 A 25 25 PHE CB C 637 38.903 38.650 0.253 1
1 244 . 3 1 1 A 26 26 SER H H 638 7.800 8.252 -0.452 1
1 245 . 3 1 1 A 26 26 SER HA H 638 4.818 4.990 -0.172 1
1 248 . 3 1 1 A 26 26 SER CB C 638 64.666 65.460 -0.794 1
1 249 . 3 1 1 A 27 27 THR H H 639 8.881 8.322 0.559 1
1 250 . 3 1 1 A 27 27 THR HA H 639 4.943 4.778 0.165 1
1 255 . 3 1 1 A 27 27 THR CA C 639 59.252 60.639 -1.387 1
1 256 . 3 1 1 A 27 27 THR CB C 639 72.880 69.965 2.915 1
1 258 . 3 1 1 A 28 28 TRP H H 640 9.322 9.162 0.160 1
1 259 . 3 1 1 A 28 28 TRP HA H 640 3.552 4.049 -0.497 1
1 267 . 3 1 1 A 28 28 TRP CA C 640 60.186 60.849 -0.663 1
1 268 . 3 1 1 A 28 28 TRP CB C 640 29.948 29.509 0.439 1
1 274 . 3 1 1 A 29 29 GLU H H 641 8.839 7.759 1.080 1
1 275 . 3 1 1 A 29 29 GLU HA H 641 3.573 4.046 -0.473 1
1 280 . 3 1 1 A 29 29 GLU CA C 641 60.746 59.179 1.567 1
1 281 . 3 1 1 A 29 29 GLU CB C 641 29.196 29.716 -0.520 1
1 283 . 3 1 1 A 30 30 LYS H H 642 7.667 7.466 0.201 1
1 284 . 3 1 1 A 30 30 LYS HA H 642 4.118 4.010 0.108 1
1 291 . 3 1 1 A 30 30 LYS CA C 642 58.879 59.560 -0.681 1
1 292 . 3 1 1 A 30 30 LYS CB C 642 33.293 31.909 1.384 1
1 296 . 3 1 1 A 31 31 GLU H H 643 7.748 7.824 -0.076 1
1 297 . 3 1 1 A 31 31 GLU HA H 643 4.047 3.785 0.262 1
1 302 . 3 1 1 A 31 31 GLU CA C 643 56.265 58.884 -2.619 1
1 303 . 3 1 1 A 31 31 GLU CB C 643 31.623 29.223 2.400 1
1 305 . 3 1 1 A 32 32 LEU H H 644 7.218 7.326 -0.108 1
1 306 . 3 1 1 A 32 32 LEU HA H 644 3.140 3.215 -0.075 1
1 316 . 3 1 1 A 32 32 LEU CA C 644 58.132 57.717 0.415 1
1 317 . 3 1 1 A 32 32 LEU CB C 644 41.890 41.294 0.596 1
1 321 . 3 1 1 A 33 33 HIS H H 645 8.471 7.856 0.615 1
1 322 . 3 1 1 A 33 33 HIS HA H 645 4.005 4.178 -0.173 1
1 327 . 3 1 1 A 33 33 HIS CA C 645 58.505 59.151 -0.646 1
1 328 . 3 1 1 A 33 33 HIS CB C 645 28.449 28.701 -0.252 1
1 331 . 3 1 1 A 34 34 LYS H H 646 7.429 7.005 0.424 1
1 332 . 3 1 1 A 34 34 LYS HA H 646 3.816 3.765 0.051 1
1 340 . 3 1 1 A 34 34 LYS CA C 646 58.505 59.400 -0.895 1
1 341 . 3 1 1 A 34 34 LYS CB C 646 34.615 32.373 2.242 1
1 345 . 3 1 1 A 35 35 ILE H H 647 7.152 7.681 -0.529 1
1 346 . 3 1 1 A 35 35 ILE HA H 647 4.156 4.208 -0.052 1
1 354 . 3 1 1 A 35 35 ILE CA C 647 61.492 63.569 -2.077 1
1 355 . 3 1 1 A 35 35 ILE CB C 647 40.957 38.334 2.623 1
1 358 . 3 1 1 A 36 36 VAL H H 648 6.892 8.242 -1.350 1
1 359 . 3 1 1 A 36 36 VAL HA H 648 2.231 3.657 -1.426 1
1 367 . 3 1 1 A 36 36 VAL CA C 648 63.733 65.075 -1.342 1
1 368 . 3 1 1 A 36 36 VAL CB C 648 31.436 30.954 0.482 1
1 371 . 3 1 1 A 37 37 PHE H H 649 7.254 7.979 -0.725 1
1 372 . 3 1 1 A 37 37 PHE HA H 649 4.629 4.359 0.270 1
1 378 . 3 1 1 A 37 37 PHE CA C 649 56.078 59.105 -3.027 1
1 379 . 3 1 1 A 37 37 PHE CB C 649 38.717 37.582 1.135 1
1 383 . 3 1 1 A 38 38 ASP H H 650 7.527 7.857 -0.330 1
1 384 . 3 1 1 A 38 38 ASP HA H 650 4.690 4.506 0.184 1
1 387 . 3 1 1 A 38 38 ASP CA C 650 51.971 50.254 1.717 1
1 388 . 3 1 1 A 38 38 ASP CB C 650 44.055 42.324 1.731 1
1 389 . 3 1 1 A 39 39 PRO HA H 651 4.267 4.506 -0.239 1
1 395 . 3 1 1 A 39 39 PRO CA C 651 65.599 63.909 1.690 1
1 396 . 3 1 1 A 39 39 PRO CB C 651 32.556 32.215 0.341 1
1 399 . 3 1 1 A 40 40 ARG H H 652 9.454 8.662 0.792 1
1 400 . 3 1 1 A 40 40 ARG HA H 652 3.978 4.251 -0.273 1
1 408 . 3 1 1 A 40 40 ARG CA C 652 58.505 57.447 1.058 1
1 409 . 3 1 1 A 40 40 ARG CB C 652 30.129 29.620 0.509 1
1 412 . 3 1 1 A 41 41 TYR H H 653 8.320 7.740 0.580 1
1 413 . 3 1 1 A 41 41 TYR HA H 653 4.145 4.139 0.006 1
1 419 . 3 1 1 A 41 41 TYR CA C 653 61.119 60.060 1.059 1
1 420 . 3 1 1 A 41 41 TYR CB C 653 40.127 39.164 0.963 1
1 423 . 3 1 1 A 42 42 LEU H H 654 6.993 7.343 -0.350 1
1 424 . 3 1 1 A 42 42 LEU HA H 654 4.081 4.444 -0.363 1
1 433 . 3 1 1 A 42 42 LEU CA C 654 54.772 54.228 0.544 1
1 434 . 3 1 1 A 42 42 LEU CB C 654 41.890 41.554 0.336 1
1 438 . 3 1 1 A 43 43 LEU H H 655 7.492 8.023 -0.531 1
1 439 . 3 1 1 A 43 43 LEU HA H 655 4.053 4.064 -0.011 1
1 449 . 3 1 1 A 43 43 LEU CA C 655 56.452 58.256 -1.804 1
1 450 . 3 1 1 A 43 43 LEU CB C 655 43.757 42.196 1.561 1
1 454 . 3 1 1 A 44 44 LEU H H 656 6.524 7.600 -1.076 1
1 455 . 3 1 1 A 44 44 LEU HA H 656 4.570 4.183 0.387 1
1 465 . 3 1 1 A 44 44 LEU CA C 656 51.971 54.490 -2.519 1
1 466 . 3 1 1 A 44 44 LEU CB C 656 45.437 41.842 3.595 1
1 470 . 3 1 1 A 45 45 ASN H H 657 8.812 8.802 0.010 1
1 471 . 3 1 1 A 45 45 ASN HA H 657 4.677 4.995 -0.318 1
1 476 . 3 1 1 A 45 45 ASN CA C 657 51.411 51.208 0.203 1
1 477 . 3 1 1 A 45 45 ASN CB C 657 36.482 38.191 -1.709 1
1 478 . 3 1 1 A 46 46 PRO HA H 658 4.678 4.242 0.436 1
1 484 . 3 1 1 A 46 46 PRO CB C 658 32.369 31.865 0.504 1
1 487 . 3 1 1 A 47 47 LYS H H 659 7.930 7.815 0.115 1
1 488 . 3 1 1 A 47 47 LYS HA H 659 3.795 4.186 -0.391 1
1 494 . 3 1 1 A 47 47 LYS CA C 659 59.355 58.927 0.428 1
1 495 . 3 1 1 A 47 47 LYS CB C 659 32.369 33.141 -0.772 1
1 499 . 3 1 1 A 48 48 GLU H H 660 7.927 8.219 -0.292 1
1 500 . 3 1 1 A 48 48 GLU HA H 660 3.780 4.056 -0.276 1
1 505 . 3 1 1 A 48 48 GLU CA C 660 58.505 59.250 -0.745 1
1 506 . 3 1 1 A 48 48 GLU CB C 660 31.249 29.248 2.001 1
1 508 . 3 1 1 A 49 49 ARG H H 661 8.427 7.876 0.551 1
1 509 . 3 1 1 A 49 49 ARG HA H 661 3.792 3.931 -0.139 1
1 515 . 3 1 1 A 49 49 ARG CA C 661 59.626 58.630 0.996 1
1 516 . 3 1 1 A 49 49 ARG CB C 661 31.249 29.825 1.424 1
1 519 . 3 1 1 A 50 50 LYS H H 662 6.770 7.757 -0.987 1
1 520 . 3 1 1 A 50 50 LYS HA H 662 3.416 3.868 -0.452 1
1 529 . 3 1 1 A 50 50 LYS CA C 662 58.505 59.089 -0.584 1
1 530 . 3 1 1 A 50 50 LYS CB C 662 31.996 31.902 0.094 1
1 534 . 3 1 1 A 51 51 GLN H H 663 7.507 7.771 -0.264 1
1 535 . 3 1 1 A 51 51 GLN HA H 663 4.006 4.105 -0.099 1
1 541 . 3 1 1 A 51 51 GLN CA C 663 59.252 58.905 0.347 1
1 542 . 3 1 1 A 51 51 GLN CB C 663 28.822 28.362 0.460 1
1 544 . 3 1 1 A 52 52 VAL H H 664 8.038 7.788 0.250 1
1 545 . 3 1 1 A 52 52 VAL HA H 664 3.640 3.758 -0.118 1
1 553 . 3 1 1 A 52 52 VAL CA C 664 66.533 65.978 0.555 1
1 554 . 3 1 1 A 52 52 VAL CB C 664 31.623 31.756 -0.133 1
1 557 . 3 1 1 A 53 53 PHE H H 665 8.756 7.994 0.762 1
1 558 . 3 1 1 A 53 53 PHE HA H 665 4.196 4.391 -0.195 1
1 564 . 3 1 1 A 53 53 PHE CA C 665 62.613 61.414 1.199 1
1 565 . 3 1 1 A 53 53 PHE CB C 665 40.397 39.461 0.936 1
1 568 . 3 1 1 A 54 54 ASP H H 666 9.000 8.293 0.707 1
1 569 . 3 1 1 A 54 54 ASP HA H 666 4.264 3.991 0.273 1
1 572 . 3 1 1 A 54 54 ASP CA C 666 57.572 56.740 0.832 1
1 573 . 3 1 1 A 54 54 ASP CB C 666 39.837 40.120 -0.283 1
1 574 . 3 1 1 A 55 55 GLN H H 667 7.619 7.910 -0.291 1
1 575 . 3 1 1 A 55 55 GLN HA H 667 4.027 4.153 -0.126 1
1 581 . 3 1 1 A 55 55 GLN CA C 667 58.692 58.540 0.152 1
1 582 . 3 1 1 A 55 55 GLN CB C 667 28.822 28.769 0.053 1
1 584 . 3 1 1 A 56 56 TYR H H 668 8.525 7.977 0.548 1
1 585 . 3 1 1 A 56 56 TYR HA H 668 4.095 4.225 -0.130 1
1 592 . 3 1 1 A 56 56 TYR CA C 668 61.306 61.320 -0.014 1
1 593 . 3 1 1 A 56 56 TYR CB C 668 39.277 38.446 0.831 1
1 596 . 3 1 1 A 57 57 VAL H H 669 8.518 8.167 0.351 1
1 597 . 3 1 1 A 57 57 VAL HA H 669 3.076 3.648 -0.572 1
1 605 . 3 1 1 A 57 57 VAL CA C 669 66.720 66.065 0.655 1
1 606 . 3 1 1 A 57 57 VAL CB C 669 31.788 31.177 0.611 1
1 609 . 3 1 1 A 58 58 LYS H H 670 7.401 7.659 -0.258 1
1 610 . 3 1 1 A 58 58 LYS HA H 670 3.991 3.985 0.006 1
1 616 . 3 1 1 A 58 58 LYS CA C 670 58.505 59.638 -1.133 1
1 617 . 3 1 1 A 58 58 LYS CB C 670 32.929 32.630 0.299 1
1 621 . 3 1 1 A 59 59 THR H H 671 7.976 7.589 0.387 1
1 622 . 3 1 1 A 59 59 THR HA H 671 3.960 3.925 0.035 1
1 627 . 3 1 1 A 59 59 THR CA C 671 65.599 65.108 0.491 1
1 628 . 3 1 1 A 59 59 THR CB C 671 69.327 68.935 0.392 1
1 630 . 3 1 1 A 60 60 ARG H H 672 8.262 8.109 0.153 1
1 631 . 3 1 1 A 60 60 ARG HA H 672 3.889 3.804 0.085 1
1 639 . 3 1 1 A 60 60 ARG CA C 672 57.572 59.357 -1.785 1
1 640 . 3 1 1 A 60 60 ARG CB C 672 29.584 29.516 0.068 1
1 643 . 3 1 1 A 61 61 ALA H H 673 7.955 8.145 -0.190 1
1 644 . 3 1 1 A 61 61 ALA HA H 673 3.816 4.191 -0.375 1
1 648 . 3 1 1 A 61 61 ALA CA C 673 55.332 54.879 0.453 1
1 649 . 3 1 1 A 61 61 ALA CB C 673 18.566 18.501 0.065 1
1 650 . 3 1 1 A 62 62 GLU H H 674 7.286 7.883 -0.597 1
1 651 . 3 1 1 A 62 62 GLU HA H 674 4.029 3.929 0.100 1
1 656 . 3 1 1 A 62 62 GLU CA C 674 58.692 59.705 -1.013 1
1 657 . 3 1 1 A 62 62 GLU CB C 674 29.575 29.096 0.479 1
1 659 . 3 1 1 A 63 63 GLU H H 675 7.851 7.797 0.054 1
1 660 . 3 1 1 A 63 63 GLU HA H 675 4.031 4.117 -0.086 1
1 664 . 3 1 1 A 63 63 GLU CA C 675 58.879 59.108 -0.229 1
1 665 . 3 1 1 A 63 63 GLU CB C 675 30.316 29.470 0.846 1
1 667 . 3 1 1 A 64 64 GLU H H 676 8.266 8.506 -0.240 1
1 668 . 3 1 1 A 64 64 GLU HA H 676 4.026 4.029 -0.003 1
1 673 . 3 1 1 A 64 64 GLU CA C 676 58.879 59.444 -0.565 1
1 674 . 3 1 1 A 64 64 GLU CB C 676 30.135 29.359 0.776 1
1 676 . 3 1 1 A 65 65 ARG H H 677 7.906 8.048 -0.142 1
1 677 . 3 1 1 A 65 65 ARG HA H 677 4.093 3.929 0.164 1
1 683 . 3 1 1 A 65 65 ARG CA C 677 58.132 59.398 -1.266 1
1 684 . 3 1 1 A 65 65 ARG CB C 677 30.695 29.830 0.865 1
1 687 . 3 1 1 A 66 66 ARG H H 678 7.801 8.146 -0.345 1
1 688 . 3 1 1 A 66 66 ARG HA H 678 4.094 4.051 0.043 1
1 693 . 3 1 1 A 66 66 ARG CA C 678 57.759 58.613 -0.854 1
1 694 . 3 1 1 A 66 66 ARG CB C 678 31.063 30.088 0.975 1
1 697 . 3 1 1 A 67 67 GLU H H 679 8.092 8.247 -0.155 1
1 698 . 3 1 1 A 67 67 GLU HA H 679 4.110 4.191 -0.081 1
1 702 . 3 1 1 A 67 67 GLU CA C 679 57.385 57.862 -0.477 1
1 703 . 3 1 1 A 67 67 GLU CB C 679 30.135 30.248 -0.113 1
1 705 . 3 1 1 A 68 68 LYS H H 680 8.075 7.678 0.397 1
1 706 . 3 1 1 A 68 68 LYS HA H 680 4.198 4.350 -0.152 1
1 711 . 3 1 1 A 68 68 LYS CA C 680 56.825 57.405 -0.580 1
1 712 . 3 1 1 A 68 68 LYS CB C 680 32.929 33.303 -0.374 1
1 715 . 3 1 1 A 69 69 LYS H H 681 8.130 7.553 0.577 1
1 716 . 3 1 1 A 69 69 LYS HA H 681 4.222 4.545 -0.323 1
1 721 . 3 1 1 A 69 69 LYS CA C 681 56.639 57.763 -1.124 1
1 722 . 3 1 1 A 69 69 LYS CB C 681 33.303 34.954 -1.651 1
1 725 . 3 1 1 A 70 70 ASN H H 682 8.334 7.861 0.473 1
1 726 . 3 1 1 A 70 70 ASN HA H 682 4.638 4.959 -0.321 1
1 730 . 3 1 1 A 70 70 ASN CA C 682 53.465 54.533 -1.068 1
1 731 . 3 1 1 A 70 70 ASN CB C 682 39.277 41.037 -1.760 1
1 1 . 4 1 1 A 2 2 ALA H H 614 8.560 7.870 0.690 1
1 2 . 4 1 1 A 2 2 ALA HA H 614 4.296 4.617 -0.321 1
1 6 . 4 1 1 A 2 2 ALA CA C 614 52.718 51.291 1.427 1
1 7 . 4 1 1 A 2 2 ALA CB C 614 19.861 19.297 0.564 1
1 8 . 4 1 1 A 3 3 MET H H 615 8.554 8.549 0.005 1
1 9 . 4 1 1 A 3 3 MET HA H 615 4.397 5.282 -0.885 1
1 13 . 4 1 1 A 3 3 MET CA C 615 55.892 54.531 1.361 1
1 14 . 4 1 1 A 3 3 MET CB C 615 32.332 36.678 -4.346 1
1 16 . 4 1 1 A 4 4 GLY H H 616 8.503 8.459 0.044 1
1 17 . 4 1 1 A 4 4 GLY HA2 H 616 3.957 4.125 -0.168 1
1 18 . 4 1 1 A 4 4 GLY CA C 616 45.064 44.028 1.036 1
1 19 . 4 1 1 A 5 5 SER H H 617 8.468 8.479 -0.011 1
1 20 . 4 1 1 A 5 5 SER HA H 617 4.354 4.555 -0.201 1
1 23 . 4 1 1 A 5 5 SER CA C 617 58.505 58.796 -0.291 1
1 24 . 4 1 1 A 5 5 SER CB C 617 64.666 64.122 0.544 1
1 25 . 4 1 1 A 6 6 LEU H H 618 8.773 8.320 0.453 1
1 26 . 4 1 1 A 6 6 LEU HA H 618 3.939 4.127 -0.188 1
1 36 . 4 1 1 A 6 6 LEU CA C 618 58.879 57.658 1.221 1
1 37 . 4 1 1 A 6 6 LEU CB C 618 41.517 41.630 -0.113 1
1 41 . 4 1 1 A 7 7 GLU H H 619 8.700 8.540 0.160 1
1 42 . 4 1 1 A 7 7 GLU HA H 619 3.822 3.913 -0.091 1
1 46 . 4 1 1 A 7 7 GLU CA C 619 60.537 59.770 0.767 1
1 47 . 4 1 1 A 7 7 GLU CB C 619 29.382 29.599 -0.217 1
1 49 . 4 1 1 A 8 8 ALA H H 620 7.936 8.199 -0.263 1
1 50 . 4 1 1 A 8 8 ALA HA H 620 4.111 4.111 0.000 1
1 54 . 4 1 1 A 8 8 ALA CA C 620 55.332 54.887 0.445 1
1 55 . 4 1 1 A 8 8 ALA CB C 620 18.741 18.433 0.308 1
1 56 . 4 1 1 A 9 9 ARG H H 621 8.378 7.612 0.766 1
1 57 . 4 1 1 A 9 9 ARG HA H 621 4.026 4.131 -0.105 1
1 65 . 4 1 1 A 9 9 ARG CA C 621 60.559 58.989 1.570 1
1 66 . 4 1 1 A 9 9 ARG CB C 621 30.689 29.816 0.873 1
1 69 . 4 1 1 A 10 10 MET H H 622 8.972 8.318 0.654 1
1 70 . 4 1 1 A 10 10 MET HA H 622 3.938 4.478 -0.540 1
1 78 . 4 1 1 A 10 10 MET CA C 622 60.746 57.147 3.599 1
1 79 . 4 1 1 A 10 10 MET CB C 622 33.293 31.740 1.553 1
1 82 . 4 1 1 A 11 11 LYS H H 623 7.762 8.117 -0.355 1
1 83 . 4 1 1 A 11 11 LYS HA H 623 4.008 4.163 -0.155 1
1 89 . 4 1 1 A 11 11 LYS CA C 623 59.812 59.249 0.563 1
1 90 . 4 1 1 A 11 11 LYS CB C 623 32.369 32.737 -0.368 1
1 94 . 4 1 1 A 12 12 GLN H H 624 7.820 8.460 -0.640 1
1 95 . 4 1 1 A 12 12 GLN HA H 624 4.112 4.193 -0.081 1
1 102 . 4 1 1 A 12 12 GLN CA C 624 59.626 58.556 1.070 1
1 103 . 4 1 1 A 12 12 GLN CB C 624 30.316 29.008 1.308 1
1 105 . 4 1 1 A 13 13 PHE H H 625 8.269 8.106 0.163 1
1 106 . 4 1 1 A 13 13 PHE HA H 625 3.801 4.193 -0.392 1
1 114 . 4 1 1 A 13 13 PHE CA C 625 61.679 61.170 0.509 1
1 115 . 4 1 1 A 13 13 PHE CB C 625 40.770 39.542 1.228 1
1 119 . 4 1 1 A 14 14 LYS H H 626 8.514 8.073 0.441 1
1 120 . 4 1 1 A 14 14 LYS HA H 626 3.642 3.904 -0.262 1
1 126 . 4 1 1 A 14 14 LYS CA C 626 61.119 59.970 1.149 1
1 127 . 4 1 1 A 14 14 LYS CB C 626 32.369 32.566 -0.197 1
1 131 . 4 1 1 A 15 15 ASP H H 627 8.586 8.118 0.468 1
1 132 . 4 1 1 A 15 15 ASP HA H 627 4.293 4.332 -0.039 1
1 135 . 4 1 1 A 15 15 ASP CA C 627 57.385 57.904 -0.519 1
1 136 . 4 1 1 A 15 15 ASP CB C 627 39.650 41.623 -1.973 1
1 137 . 4 1 1 A 16 16 MET H H 628 7.744 7.722 0.022 1
1 138 . 4 1 1 A 16 16 MET HA H 628 3.647 4.081 -0.434 1
1 146 . 4 1 1 A 16 16 MET CA C 628 59.626 58.221 1.405 1
1 147 . 4 1 1 A 16 16 MET CB C 628 31.050 32.215 -1.165 1
1 150 . 4 1 1 A 17 17 LEU H H 629 7.522 7.693 -0.171 1
1 151 . 4 1 1 A 17 17 LEU HA H 629 3.325 3.653 -0.328 1
1 160 . 4 1 1 A 17 17 LEU CA C 629 58.132 57.323 0.809 1
1 161 . 4 1 1 A 17 17 LEU CB C 629 39.837 41.110 -1.273 1
1 165 . 4 1 1 A 18 18 LEU H H 630 6.961 7.780 -0.819 1
1 166 . 4 1 1 A 18 18 LEU HA H 630 4.374 4.331 0.043 1
1 175 . 4 1 1 A 18 18 LEU CA C 630 57.759 58.099 -0.340 1
1 176 . 4 1 1 A 18 18 LEU CB C 630 42.824 41.284 1.540 1
1 180 . 4 1 1 A 19 19 GLU H H 631 8.539 8.238 0.301 1
1 181 . 4 1 1 A 19 19 GLU HA H 631 3.863 3.933 -0.070 1
1 186 . 4 1 1 A 19 19 GLU CA C 631 59.439 59.785 -0.346 1
1 187 . 4 1 1 A 19 19 GLU CB C 631 30.876 29.114 1.762 1
1 189 . 4 1 1 A 20 20 ARG H H 632 8.380 7.408 0.972 1
1 190 . 4 1 1 A 20 20 ARG HA H 632 4.259 4.324 -0.065 1
1 197 . 4 1 1 A 20 20 ARG CA C 632 54.025 55.509 -1.484 1
1 198 . 4 1 1 A 20 20 ARG CB C 632 29.569 30.397 -0.828 1
1 201 . 4 1 1 A 21 21 GLY H H 633 7.683 7.598 0.085 1
1 202 . 4 1 1 A 21 21 GLY HA2 H 633 3.830 3.897 -0.067 1
1 203 . 4 1 1 A 21 21 GLY CA C 633 47.118 46.901 0.217 1
1 204 . 4 1 1 A 22 22 VAL H H 634 8.098 7.926 0.172 1
1 205 . 4 1 1 A 22 22 VAL HA H 634 3.796 4.459 -0.663 1
1 213 . 4 1 1 A 22 22 VAL CA C 634 64.106 61.483 2.623 1
1 214 . 4 1 1 A 22 22 VAL CB C 634 30.876 29.486 1.390 1
1 217 . 4 1 1 A 23 23 SER H H 635 9.022 8.191 0.831 1
1 218 . 4 1 1 A 23 23 SER HA H 635 4.489 3.954 0.535 1
1 221 . 4 1 1 A 23 23 SER CA C 635 57.199 58.907 -1.708 1
1 222 . 4 1 1 A 23 23 SER CB C 635 64.479 63.134 1.345 1
1 223 . 4 1 1 A 24 24 ALA H H 636 8.918 8.313 0.605 1
1 224 . 4 1 1 A 24 24 ALA HA H 636 3.996 4.244 -0.248 1
1 228 . 4 1 1 A 24 24 ALA CA C 636 52.345 53.195 -0.850 1
1 229 . 4 1 1 A 24 24 ALA CB C 636 19.301 17.415 1.886 1
1 230 . 4 1 1 A 25 25 PHE H H 637 8.119 6.841 1.278 1
1 231 . 4 1 1 A 25 25 PHE HA H 637 4.702 4.830 -0.128 1
1 238 . 4 1 1 A 25 25 PHE CA C 637 56.639 56.106 0.533 1
1 239 . 4 1 1 A 25 25 PHE CB C 637 38.903 38.770 0.133 1
1 244 . 4 1 1 A 26 26 SER H H 638 7.800 7.456 0.344 1
1 245 . 4 1 1 A 26 26 SER HA H 638 4.818 5.147 -0.329 1
1 248 . 4 1 1 A 26 26 SER CB C 638 64.666 67.124 -2.458 1
1 249 . 4 1 1 A 27 27 THR H H 639 8.881 8.436 0.445 1
1 250 . 4 1 1 A 27 27 THR HA H 639 4.943 4.754 0.189 1
1 255 . 4 1 1 A 27 27 THR CA C 639 59.252 60.794 -1.542 1
1 256 . 4 1 1 A 27 27 THR CB C 639 72.880 70.045 2.835 1
1 258 . 4 1 1 A 28 28 TRP H H 640 9.322 9.268 0.054 1
1 259 . 4 1 1 A 28 28 TRP HA H 640 3.552 3.963 -0.411 1
1 267 . 4 1 1 A 28 28 TRP CA C 640 60.186 60.684 -0.498 1
1 268 . 4 1 1 A 28 28 TRP CB C 640 29.948 29.674 0.274 1
1 274 . 4 1 1 A 29 29 GLU H H 641 8.839 7.694 1.145 1
1 275 . 4 1 1 A 29 29 GLU HA H 641 3.573 4.059 -0.486 1
1 280 . 4 1 1 A 29 29 GLU CA C 641 60.746 59.175 1.571 1
1 281 . 4 1 1 A 29 29 GLU CB C 641 29.196 29.758 -0.562 1
1 283 . 4 1 1 A 30 30 LYS H H 642 7.667 7.318 0.349 1
1 284 . 4 1 1 A 30 30 LYS HA H 642 4.118 4.041 0.077 1
1 291 . 4 1 1 A 30 30 LYS CA C 642 58.879 59.818 -0.939 1
1 292 . 4 1 1 A 30 30 LYS CB C 642 33.293 32.002 1.291 1
1 296 . 4 1 1 A 31 31 GLU H H 643 7.748 7.755 -0.007 1
1 297 . 4 1 1 A 31 31 GLU HA H 643 4.047 3.822 0.225 1
1 302 . 4 1 1 A 31 31 GLU CA C 643 56.265 59.051 -2.786 1
1 303 . 4 1 1 A 31 31 GLU CB C 643 31.623 29.007 2.616 1
1 305 . 4 1 1 A 32 32 LEU H H 644 7.218 7.354 -0.136 1
1 306 . 4 1 1 A 32 32 LEU HA H 644 3.140 3.310 -0.170 1
1 316 . 4 1 1 A 32 32 LEU CA C 644 58.132 57.880 0.252 1
1 317 . 4 1 1 A 32 32 LEU CB C 644 41.890 41.685 0.205 1
1 321 . 4 1 1 A 33 33 HIS H H 645 8.471 7.978 0.493 1
1 322 . 4 1 1 A 33 33 HIS HA H 645 4.005 4.235 -0.230 1
1 327 . 4 1 1 A 33 33 HIS CA C 645 58.505 59.108 -0.603 1
1 328 . 4 1 1 A 33 33 HIS CB C 645 28.449 28.649 -0.200 1
1 331 . 4 1 1 A 34 34 LYS H H 646 7.429 6.851 0.578 1
1 332 . 4 1 1 A 34 34 LYS HA H 646 3.816 3.740 0.076 1
1 340 . 4 1 1 A 34 34 LYS CA C 646 58.505 59.215 -0.710 1
1 341 . 4 1 1 A 34 34 LYS CB C 646 34.615 32.381 2.234 1
1 345 . 4 1 1 A 35 35 ILE H H 647 7.152 7.538 -0.386 1
1 346 . 4 1 1 A 35 35 ILE HA H 647 4.156 4.095 0.061 1
1 354 . 4 1 1 A 35 35 ILE CA C 647 61.492 62.345 -0.853 1
1 355 . 4 1 1 A 35 35 ILE CB C 647 40.957 38.365 2.592 1
1 358 . 4 1 1 A 36 36 VAL H H 648 6.892 8.046 -1.154 1
1 359 . 4 1 1 A 36 36 VAL HA H 648 2.231 3.639 -1.408 1
1 367 . 4 1 1 A 36 36 VAL CA C 648 63.733 65.296 -1.563 1
1 368 . 4 1 1 A 36 36 VAL CB C 648 31.436 30.771 0.665 1
1 371 . 4 1 1 A 37 37 PHE H H 649 7.254 7.750 -0.496 1
1 372 . 4 1 1 A 37 37 PHE HA H 649 4.629 4.375 0.254 1
1 378 . 4 1 1 A 37 37 PHE CA C 649 56.078 60.813 -4.735 1
1 379 . 4 1 1 A 37 37 PHE CB C 649 38.717 38.493 0.224 1
1 383 . 4 1 1 A 38 38 ASP H H 650 7.527 7.830 -0.303 1
1 384 . 4 1 1 A 38 38 ASP HA H 650 4.690 4.961 -0.271 1
1 387 . 4 1 1 A 38 38 ASP CA C 650 51.971 50.839 1.132 1
1 388 . 4 1 1 A 38 38 ASP CB C 650 44.055 42.872 1.183 1
1 389 . 4 1 1 A 39 39 PRO HA H 651 4.267 4.601 -0.334 1
1 395 . 4 1 1 A 39 39 PRO CA C 651 65.599 64.192 1.407 1
1 396 . 4 1 1 A 39 39 PRO CB C 651 32.556 31.981 0.575 1
1 399 . 4 1 1 A 40 40 ARG H H 652 9.454 8.572 0.882 1
1 400 . 4 1 1 A 40 40 ARG HA H 652 3.978 4.268 -0.290 1
1 408 . 4 1 1 A 40 40 ARG CA C 652 58.505 58.521 -0.016 1
1 409 . 4 1 1 A 40 40 ARG CB C 652 30.129 30.197 -0.068 1
1 412 . 4 1 1 A 41 41 TYR H H 653 8.320 7.904 0.416 1
1 413 . 4 1 1 A 41 41 TYR HA H 653 4.145 4.459 -0.314 1
1 419 . 4 1 1 A 41 41 TYR CA C 653 61.119 60.648 0.471 1
1 420 . 4 1 1 A 41 41 TYR CB C 653 40.127 39.056 1.071 1
1 423 . 4 1 1 A 42 42 LEU H H 654 6.993 7.851 -0.858 1
1 424 . 4 1 1 A 42 42 LEU HA H 654 4.081 4.418 -0.337 1
1 433 . 4 1 1 A 42 42 LEU CA C 654 54.772 54.352 0.420 1
1 434 . 4 1 1 A 42 42 LEU CB C 654 41.890 42.179 -0.289 1
1 438 . 4 1 1 A 43 43 LEU H H 655 7.492 7.462 0.030 1
1 439 . 4 1 1 A 43 43 LEU HA H 655 4.053 4.179 -0.126 1
1 449 . 4 1 1 A 43 43 LEU CA C 655 56.452 57.222 -0.770 1
1 450 . 4 1 1 A 43 43 LEU CB C 655 43.757 41.902 1.855 1
1 454 . 4 1 1 A 44 44 LEU H H 656 6.524 7.223 -0.699 1
1 455 . 4 1 1 A 44 44 LEU HA H 656 4.570 4.178 0.392 1
1 465 . 4 1 1 A 44 44 LEU CA C 656 51.971 54.375 -2.404 1
1 466 . 4 1 1 A 44 44 LEU CB C 656 45.437 41.781 3.656 1
1 470 . 4 1 1 A 45 45 ASN H H 657 8.812 8.543 0.269 1
1 471 . 4 1 1 A 45 45 ASN HA H 657 4.677 5.040 -0.363 1
1 476 . 4 1 1 A 45 45 ASN CA C 657 51.411 50.328 1.083 1
1 477 . 4 1 1 A 45 45 ASN CB C 657 36.482 39.006 -2.524 1
1 478 . 4 1 1 A 46 46 PRO HA H 658 4.678 4.253 0.425 1
1 484 . 4 1 1 A 46 46 PRO CB C 658 32.369 31.900 0.469 1
1 487 . 4 1 1 A 47 47 LYS H H 659 7.930 8.124 -0.194 1
1 488 . 4 1 1 A 47 47 LYS HA H 659 3.795 4.223 -0.428 1
1 494 . 4 1 1 A 47 47 LYS CA C 659 59.355 58.971 0.384 1
1 495 . 4 1 1 A 47 47 LYS CB C 659 32.369 33.181 -0.812 1
1 499 . 4 1 1 A 48 48 GLU H H 660 7.927 8.256 -0.329 1
1 500 . 4 1 1 A 48 48 GLU HA H 660 3.780 4.077 -0.297 1
1 505 . 4 1 1 A 48 48 GLU CA C 660 58.505 59.311 -0.806 1
1 506 . 4 1 1 A 48 48 GLU CB C 660 31.249 29.215 2.034 1
1 508 . 4 1 1 A 49 49 ARG H H 661 8.427 8.150 0.277 1
1 509 . 4 1 1 A 49 49 ARG HA H 661 3.792 4.147 -0.355 1
1 515 . 4 1 1 A 49 49 ARG CA C 661 59.626 58.687 0.939 1
1 516 . 4 1 1 A 49 49 ARG CB C 661 31.249 29.714 1.535 1
1 519 . 4 1 1 A 50 50 LYS H H 662 6.770 7.766 -0.996 1
1 520 . 4 1 1 A 50 50 LYS HA H 662 3.416 3.931 -0.515 1
1 529 . 4 1 1 A 50 50 LYS CA C 662 58.505 59.374 -0.869 1
1 530 . 4 1 1 A 50 50 LYS CB C 662 31.996 32.254 -0.258 1
1 534 . 4 1 1 A 51 51 GLN H H 663 7.507 7.954 -0.447 1
1 535 . 4 1 1 A 51 51 GLN HA H 663 4.006 4.099 -0.093 1
1 541 . 4 1 1 A 51 51 GLN CA C 663 59.252 58.666 0.586 1
1 542 . 4 1 1 A 51 51 GLN CB C 663 28.822 27.991 0.831 1
1 544 . 4 1 1 A 52 52 VAL H H 664 8.038 7.653 0.385 1
1 545 . 4 1 1 A 52 52 VAL HA H 664 3.640 3.703 -0.063 1
1 553 . 4 1 1 A 52 52 VAL CA C 664 66.533 66.585 -0.052 1
1 554 . 4 1 1 A 52 52 VAL CB C 664 31.623 31.942 -0.319 1
1 557 . 4 1 1 A 53 53 PHE H H 665 8.756 8.396 0.360 1
1 558 . 4 1 1 A 53 53 PHE HA H 665 4.196 4.271 -0.075 1
1 564 . 4 1 1 A 53 53 PHE CA C 665 62.613 61.648 0.965 1
1 565 . 4 1 1 A 53 53 PHE CB C 665 40.397 39.318 1.079 1
1 568 . 4 1 1 A 54 54 ASP H H 666 9.000 8.652 0.348 1
1 569 . 4 1 1 A 54 54 ASP HA H 666 4.264 4.086 0.178 1
1 572 . 4 1 1 A 54 54 ASP CA C 666 57.572 57.485 0.087 1
1 573 . 4 1 1 A 54 54 ASP CB C 666 39.837 41.075 -1.238 1
1 574 . 4 1 1 A 55 55 GLN H H 667 7.619 8.125 -0.506 1
1 575 . 4 1 1 A 55 55 GLN HA H 667 4.027 4.169 -0.142 1
1 581 . 4 1 1 A 55 55 GLN CA C 667 58.692 58.123 0.569 1
1 582 . 4 1 1 A 55 55 GLN CB C 667 28.822 28.795 0.027 1
1 584 . 4 1 1 A 56 56 TYR H H 668 8.525 8.175 0.350 1
1 585 . 4 1 1 A 56 56 TYR HA H 668 4.095 4.174 -0.079 1
1 592 . 4 1 1 A 56 56 TYR CA C 668 61.306 61.296 0.010 1
1 593 . 4 1 1 A 56 56 TYR CB C 668 39.277 38.920 0.357 1
1 596 . 4 1 1 A 57 57 VAL H H 669 8.518 8.126 0.392 1
1 597 . 4 1 1 A 57 57 VAL HA H 669 3.076 3.588 -0.512 1
1 605 . 4 1 1 A 57 57 VAL CA C 669 66.720 65.879 0.841 1
1 606 . 4 1 1 A 57 57 VAL CB C 669 31.788 31.120 0.668 1
1 609 . 4 1 1 A 58 58 LYS H H 670 7.401 7.537 -0.136 1
1 610 . 4 1 1 A 58 58 LYS HA H 670 3.991 4.016 -0.025 1
1 616 . 4 1 1 A 58 58 LYS CA C 670 58.505 59.359 -0.854 1
1 617 . 4 1 1 A 58 58 LYS CB C 670 32.929 32.390 0.539 1
1 621 . 4 1 1 A 59 59 THR H H 671 7.976 7.570 0.406 1
1 622 . 4 1 1 A 59 59 THR HA H 671 3.960 3.923 0.037 1
1 627 . 4 1 1 A 59 59 THR CA C 671 65.599 65.077 0.522 1
1 628 . 4 1 1 A 59 59 THR CB C 671 69.327 68.856 0.471 1
1 630 . 4 1 1 A 60 60 ARG H H 672 8.262 8.087 0.175 1
1 631 . 4 1 1 A 60 60 ARG HA H 672 3.889 3.768 0.121 1
1 639 . 4 1 1 A 60 60 ARG CA C 672 57.572 59.174 -1.602 1
1 640 . 4 1 1 A 60 60 ARG CB C 672 29.584 29.549 0.035 1
1 643 . 4 1 1 A 61 61 ALA H H 673 7.955 7.591 0.364 1
1 644 . 4 1 1 A 61 61 ALA HA H 673 3.816 4.083 -0.267 1
1 648 . 4 1 1 A 61 61 ALA CA C 673 55.332 54.971 0.361 1
1 649 . 4 1 1 A 61 61 ALA CB C 673 18.566 18.315 0.251 1
1 650 . 4 1 1 A 62 62 GLU H H 674 7.286 7.833 -0.547 1
1 651 . 4 1 1 A 62 62 GLU HA H 674 4.029 4.044 -0.015 1
1 656 . 4 1 1 A 62 62 GLU CA C 674 58.692 59.631 -0.939 1
1 657 . 4 1 1 A 62 62 GLU CB C 674 29.575 29.346 0.229 1
1 659 . 4 1 1 A 63 63 GLU H H 675 7.851 7.568 0.283 1
1 660 . 4 1 1 A 63 63 GLU HA H 675 4.031 4.168 -0.137 1
1 664 . 4 1 1 A 63 63 GLU CA C 675 58.879 58.978 -0.099 1
1 665 . 4 1 1 A 63 63 GLU CB C 675 30.316 29.938 0.378 1
1 667 . 4 1 1 A 64 64 GLU H H 676 8.266 8.744 -0.478 1
1 668 . 4 1 1 A 64 64 GLU HA H 676 4.026 4.129 -0.103 1
1 673 . 4 1 1 A 64 64 GLU CA C 676 58.879 58.360 0.519 1
1 674 . 4 1 1 A 64 64 GLU CB C 676 30.135 28.301 1.834 1
1 676 . 4 1 1 A 65 65 ARG H H 677 7.906 7.960 -0.054 1
1 677 . 4 1 1 A 65 65 ARG HA H 677 4.093 4.253 -0.160 1
1 683 . 4 1 1 A 65 65 ARG CA C 677 58.132 58.327 -0.195 1
1 684 . 4 1 1 A 65 65 ARG CB C 677 30.695 30.446 0.249 1
1 687 . 4 1 1 A 66 66 ARG H H 678 7.801 7.935 -0.134 1
1 688 . 4 1 1 A 66 66 ARG HA H 678 4.094 4.155 -0.061 1
1 693 . 4 1 1 A 66 66 ARG CA C 678 57.759 57.925 -0.166 1
1 694 . 4 1 1 A 66 66 ARG CB C 678 31.063 29.532 1.531 1
1 697 . 4 1 1 A 67 67 GLU H H 679 8.092 7.815 0.277 1
1 698 . 4 1 1 A 67 67 GLU HA H 679 4.110 4.174 -0.064 1
1 702 . 4 1 1 A 67 67 GLU CA C 679 57.385 58.033 -0.648 1
1 703 . 4 1 1 A 67 67 GLU CB C 679 30.135 29.739 0.396 1
1 705 . 4 1 1 A 68 68 LYS H H 680 8.075 7.692 0.383 1
1 706 . 4 1 1 A 68 68 LYS HA H 680 4.198 4.533 -0.335 1
1 711 . 4 1 1 A 68 68 LYS CA C 680 56.825 57.206 -0.381 1
1 712 . 4 1 1 A 68 68 LYS CB C 680 32.929 33.781 -0.852 1
1 715 . 4 1 1 A 69 69 LYS H H 681 8.130 7.691 0.439 1
1 716 . 4 1 1 A 69 69 LYS HA H 681 4.222 4.088 0.134 1
1 721 . 4 1 1 A 69 69 LYS CA C 681 56.639 58.325 -1.686 1
1 722 . 4 1 1 A 69 69 LYS CB C 681 33.303 31.163 2.140 1
1 725 . 4 1 1 A 70 70 ASN H H 682 8.334 9.073 -0.739 1
1 726 . 4 1 1 A 70 70 ASN HA H 682 4.638 4.396 0.242 1
1 730 . 4 1 1 A 70 70 ASN CA C 682 53.465 56.550 -3.085 1
1 731 . 4 1 1 A 70 70 ASN CB C 682 39.277 38.452 0.825 1
1 1 . 5 1 1 A 2 2 ALA H H 614 8.560 8.197 0.363 1
1 2 . 5 1 1 A 2 2 ALA HA H 614 4.296 4.205 0.091 1
1 6 . 5 1 1 A 2 2 ALA CA C 614 52.718 52.728 -0.010 1
1 7 . 5 1 1 A 2 2 ALA CB C 614 19.861 18.423 1.438 1
1 8 . 5 1 1 A 3 3 MET H H 615 8.554 8.854 -0.300 1
1 9 . 5 1 1 A 3 3 MET HA H 615 4.397 4.129 0.268 1
1 13 . 5 1 1 A 3 3 MET CA C 615 55.892 56.984 -1.092 1
1 14 . 5 1 1 A 3 3 MET CB C 615 32.332 31.113 1.219 1
1 16 . 5 1 1 A 4 4 GLY H H 616 8.503 7.685 0.818 1
1 17 . 5 1 1 A 4 4 GLY HA2 H 616 3.957 4.057 -0.100 1
1 18 . 5 1 1 A 4 4 GLY CA C 616 45.064 44.749 0.315 1
1 19 . 5 1 1 A 5 5 SER H H 617 8.468 8.533 -0.065 1
1 20 . 5 1 1 A 5 5 SER HA H 617 4.354 4.580 -0.226 1
1 23 . 5 1 1 A 5 5 SER CA C 617 58.505 60.136 -1.631 1
1 24 . 5 1 1 A 5 5 SER CB C 617 64.666 64.184 0.482 1
1 25 . 5 1 1 A 6 6 LEU H H 618 8.773 8.216 0.557 1
1 26 . 5 1 1 A 6 6 LEU HA H 618 3.939 4.095 -0.156 1
1 36 . 5 1 1 A 6 6 LEU CA C 618 58.879 57.830 1.049 1
1 37 . 5 1 1 A 6 6 LEU CB C 618 41.517 41.590 -0.073 1
1 41 . 5 1 1 A 7 7 GLU H H 619 8.700 8.527 0.173 1
1 42 . 5 1 1 A 7 7 GLU HA H 619 3.822 3.898 -0.076 1
1 46 . 5 1 1 A 7 7 GLU CA C 619 60.537 59.858 0.679 1
1 47 . 5 1 1 A 7 7 GLU CB C 619 29.382 29.574 -0.192 1
1 49 . 5 1 1 A 8 8 ALA H H 620 7.936 8.192 -0.256 1
1 50 . 5 1 1 A 8 8 ALA HA H 620 4.111 4.104 0.007 1
1 54 . 5 1 1 A 8 8 ALA CA C 620 55.332 54.948 0.384 1
1 55 . 5 1 1 A 8 8 ALA CB C 620 18.741 18.604 0.137 1
1 56 . 5 1 1 A 9 9 ARG H H 621 8.378 7.740 0.638 1
1 57 . 5 1 1 A 9 9 ARG HA H 621 4.026 4.146 -0.120 1
1 65 . 5 1 1 A 9 9 ARG CA C 621 60.559 59.199 1.360 1
1 66 . 5 1 1 A 9 9 ARG CB C 621 30.689 29.860 0.829 1
1 69 . 5 1 1 A 10 10 MET H H 622 8.972 8.060 0.912 1
1 70 . 5 1 1 A 10 10 MET HA H 622 3.938 4.419 -0.481 1
1 78 . 5 1 1 A 10 10 MET CA C 622 60.746 57.023 3.723 1
1 79 . 5 1 1 A 10 10 MET CB C 622 33.293 31.849 1.444 1
1 82 . 5 1 1 A 11 11 LYS H H 623 7.762 8.043 -0.281 1
1 83 . 5 1 1 A 11 11 LYS HA H 623 4.008 4.192 -0.184 1
1 89 . 5 1 1 A 11 11 LYS CA C 623 59.812 58.802 1.010 1
1 90 . 5 1 1 A 11 11 LYS CB C 623 32.369 32.962 -0.593 1
1 94 . 5 1 1 A 12 12 GLN H H 624 7.820 8.452 -0.632 1
1 95 . 5 1 1 A 12 12 GLN HA H 624 4.112 4.049 0.063 1
1 102 . 5 1 1 A 12 12 GLN CA C 624 59.626 58.795 0.831 1
1 103 . 5 1 1 A 12 12 GLN CB C 624 30.316 28.987 1.329 1
1 105 . 5 1 1 A 13 13 PHE H H 625 8.269 8.082 0.187 1
1 106 . 5 1 1 A 13 13 PHE HA H 625 3.801 4.176 -0.375 1
1 114 . 5 1 1 A 13 13 PHE CA C 625 61.679 61.310 0.369 1
1 115 . 5 1 1 A 13 13 PHE CB C 625 40.770 39.156 1.614 1
1 119 . 5 1 1 A 14 14 LYS H H 626 8.514 8.128 0.386 1
1 120 . 5 1 1 A 14 14 LYS HA H 626 3.642 3.956 -0.314 1
1 126 . 5 1 1 A 14 14 LYS CA C 626 61.119 59.638 1.481 1
1 127 . 5 1 1 A 14 14 LYS CB C 626 32.369 32.257 0.112 1
1 131 . 5 1 1 A 15 15 ASP H H 627 8.586 8.066 0.520 1
1 132 . 5 1 1 A 15 15 ASP HA H 627 4.293 4.311 -0.018 1
1 135 . 5 1 1 A 15 15 ASP CA C 627 57.385 57.202 0.183 1
1 136 . 5 1 1 A 15 15 ASP CB C 627 39.650 41.262 -1.612 1
1 137 . 5 1 1 A 16 16 MET H H 628 7.744 7.849 -0.105 1
1 138 . 5 1 1 A 16 16 MET HA H 628 3.647 4.023 -0.376 1
1 146 . 5 1 1 A 16 16 MET CA C 628 59.626 58.894 0.732 1
1 147 . 5 1 1 A 16 16 MET CB C 628 31.050 32.652 -1.602 1
1 150 . 5 1 1 A 17 17 LEU H H 629 7.522 7.871 -0.349 1
1 151 . 5 1 1 A 17 17 LEU HA H 629 3.325 3.797 -0.472 1
1 160 . 5 1 1 A 17 17 LEU CA C 629 58.132 57.487 0.645 1
1 161 . 5 1 1 A 17 17 LEU CB C 629 39.837 41.153 -1.316 1
1 165 . 5 1 1 A 18 18 LEU H H 630 6.961 7.406 -0.445 1
1 166 . 5 1 1 A 18 18 LEU HA H 630 4.374 4.377 -0.003 1
1 175 . 5 1 1 A 18 18 LEU CA C 630 57.759 55.578 2.181 1
1 176 . 5 1 1 A 18 18 LEU CB C 630 42.824 42.669 0.155 1
1 180 . 5 1 1 A 19 19 GLU H H 631 8.539 7.903 0.636 1
1 181 . 5 1 1 A 19 19 GLU HA H 631 3.863 4.279 -0.416 1
1 186 . 5 1 1 A 19 19 GLU CA C 631 59.439 58.279 1.160 1
1 187 . 5 1 1 A 19 19 GLU CB C 631 30.876 30.425 0.451 1
1 189 . 5 1 1 A 20 20 ARG H H 632 8.380 7.766 0.614 1
1 190 . 5 1 1 A 20 20 ARG HA H 632 4.259 4.268 -0.009 1
1 197 . 5 1 1 A 20 20 ARG CA C 632 54.025 55.968 -1.943 1
1 198 . 5 1 1 A 20 20 ARG CB C 632 29.569 30.561 -0.992 1
1 201 . 5 1 1 A 21 21 GLY H H 633 7.683 7.863 -0.180 1
1 202 . 5 1 1 A 21 21 GLY HA2 H 633 3.830 3.943 -0.113 1
1 203 . 5 1 1 A 21 21 GLY CA C 633 47.118 46.738 0.380 1
1 204 . 5 1 1 A 22 22 VAL H H 634 8.098 8.204 -0.106 1
1 205 . 5 1 1 A 22 22 VAL HA H 634 3.796 4.303 -0.507 1
1 213 . 5 1 1 A 22 22 VAL CA C 634 64.106 61.782 2.324 1
1 214 . 5 1 1 A 22 22 VAL CB C 634 30.876 29.819 1.057 1
1 217 . 5 1 1 A 23 23 SER H H 635 9.022 8.425 0.597 1
1 218 . 5 1 1 A 23 23 SER HA H 635 4.489 3.922 0.567 1
1 221 . 5 1 1 A 23 23 SER CA C 635 57.199 58.862 -1.663 1
1 222 . 5 1 1 A 23 23 SER CB C 635 64.479 63.195 1.284 1
1 223 . 5 1 1 A 24 24 ALA H H 636 8.918 8.308 0.610 1
1 224 . 5 1 1 A 24 24 ALA HA H 636 3.996 3.755 0.241 1
1 228 . 5 1 1 A 24 24 ALA CA C 636 52.345 53.671 -1.326 1
1 229 . 5 1 1 A 24 24 ALA CB C 636 19.301 18.332 0.969 1
1 230 . 5 1 1 A 25 25 PHE H H 637 8.119 6.785 1.334 1
1 231 . 5 1 1 A 25 25 PHE HA H 637 4.702 4.824 -0.122 1
1 238 . 5 1 1 A 25 25 PHE CA C 637 56.639 55.687 0.952 1
1 239 . 5 1 1 A 25 25 PHE CB C 637 38.903 38.689 0.214 1
1 244 . 5 1 1 A 26 26 SER H H 638 7.800 8.302 -0.502 1
1 245 . 5 1 1 A 26 26 SER HA H 638 4.818 5.060 -0.242 1
1 248 . 5 1 1 A 26 26 SER CB C 638 64.666 67.257 -2.591 1
1 249 . 5 1 1 A 27 27 THR H H 639 8.881 8.447 0.434 1
1 250 . 5 1 1 A 27 27 THR HA H 639 4.943 4.703 0.240 1
1 255 . 5 1 1 A 27 27 THR CA C 639 59.252 61.250 -1.998 1
1 256 . 5 1 1 A 27 27 THR CB C 639 72.880 69.952 2.928 1
1 258 . 5 1 1 A 28 28 TRP H H 640 9.322 9.160 0.162 1
1 259 . 5 1 1 A 28 28 TRP HA H 640 3.552 4.497 -0.945 1
1 267 . 5 1 1 A 28 28 TRP CA C 640 60.186 60.534 -0.348 1
1 268 . 5 1 1 A 28 28 TRP CB C 640 29.948 29.541 0.407 1
1 274 . 5 1 1 A 29 29 GLU H H 641 8.839 7.661 1.178 1
1 275 . 5 1 1 A 29 29 GLU HA H 641 3.573 4.045 -0.472 1
1 280 . 5 1 1 A 29 29 GLU CA C 641 60.746 59.163 1.583 1
1 281 . 5 1 1 A 29 29 GLU CB C 641 29.196 29.742 -0.546 1
1 283 . 5 1 1 A 30 30 LYS H H 642 7.667 7.429 0.238 1
1 284 . 5 1 1 A 30 30 LYS HA H 642 4.118 4.150 -0.032 1
1 291 . 5 1 1 A 30 30 LYS CA C 642 58.879 59.625 -0.746 1
1 292 . 5 1 1 A 30 30 LYS CB C 642 33.293 31.929 1.364 1
1 296 . 5 1 1 A 31 31 GLU H H 643 7.748 7.703 0.045 1
1 297 . 5 1 1 A 31 31 GLU HA H 643 4.047 3.838 0.209 1
1 302 . 5 1 1 A 31 31 GLU CA C 643 56.265 59.073 -2.808 1
1 303 . 5 1 1 A 31 31 GLU CB C 643 31.623 29.045 2.578 1
1 305 . 5 1 1 A 32 32 LEU H H 644 7.218 7.372 -0.154 1
1 306 . 5 1 1 A 32 32 LEU HA H 644 3.140 3.280 -0.140 1
1 316 . 5 1 1 A 32 32 LEU CA C 644 58.132 57.855 0.277 1
1 317 . 5 1 1 A 32 32 LEU CB C 644 41.890 41.607 0.283 1
1 321 . 5 1 1 A 33 33 HIS H H 645 8.471 7.842 0.629 1
1 322 . 5 1 1 A 33 33 HIS HA H 645 4.005 3.993 0.012 1
1 327 . 5 1 1 A 33 33 HIS CA C 645 58.505 59.020 -0.515 1
1 328 . 5 1 1 A 33 33 HIS CB C 645 28.449 28.514 -0.065 1
1 331 . 5 1 1 A 34 34 LYS H H 646 7.429 6.972 0.457 1
1 332 . 5 1 1 A 34 34 LYS HA H 646 3.816 3.961 -0.145 1
1 340 . 5 1 1 A 34 34 LYS CA C 646 58.505 59.418 -0.913 1
1 341 . 5 1 1 A 34 34 LYS CB C 646 34.615 32.488 2.127 1
1 345 . 5 1 1 A 35 35 ILE H H 647 7.152 7.318 -0.166 1
1 346 . 5 1 1 A 35 35 ILE HA H 647 4.156 4.148 0.008 1
1 354 . 5 1 1 A 35 35 ILE CA C 647 61.492 61.556 -0.064 1
1 355 . 5 1 1 A 35 35 ILE CB C 647 40.957 38.355 2.602 1
1 358 . 5 1 1 A 36 36 VAL H H 648 6.892 7.956 -1.064 1
1 359 . 5 1 1 A 36 36 VAL HA H 648 2.231 3.184 -0.953 1
1 367 . 5 1 1 A 36 36 VAL CA C 648 63.733 66.148 -2.415 1
1 368 . 5 1 1 A 36 36 VAL CB C 648 31.436 30.996 0.440 1
1 371 . 5 1 1 A 37 37 PHE H H 649 7.254 7.672 -0.418 1
1 372 . 5 1 1 A 37 37 PHE HA H 649 4.629 4.353 0.276 1
1 378 . 5 1 1 A 37 37 PHE CA C 649 56.078 60.679 -4.601 1
1 379 . 5 1 1 A 37 37 PHE CB C 649 38.717 38.514 0.203 1
1 383 . 5 1 1 A 38 38 ASP H H 650 7.527 7.486 0.041 1
1 384 . 5 1 1 A 38 38 ASP HA H 650 4.690 4.976 -0.286 1
1 387 . 5 1 1 A 38 38 ASP CA C 650 51.971 50.713 1.258 1
1 388 . 5 1 1 A 38 38 ASP CB C 650 44.055 42.616 1.439 1
1 389 . 5 1 1 A 39 39 PRO HA H 651 4.267 4.541 -0.274 1
1 395 . 5 1 1 A 39 39 PRO CA C 651 65.599 64.266 1.333 1
1 396 . 5 1 1 A 39 39 PRO CB C 651 32.556 31.993 0.563 1
1 399 . 5 1 1 A 40 40 ARG H H 652 9.454 8.890 0.564 1
1 400 . 5 1 1 A 40 40 ARG HA H 652 3.978 4.250 -0.272 1
1 408 . 5 1 1 A 40 40 ARG CA C 652 58.505 58.046 0.459 1
1 409 . 5 1 1 A 40 40 ARG CB C 652 30.129 28.996 1.133 1
1 412 . 5 1 1 A 41 41 TYR H H 653 8.320 7.832 0.488 1
1 413 . 5 1 1 A 41 41 TYR HA H 653 4.145 4.053 0.092 1
1 419 . 5 1 1 A 41 41 TYR CA C 653 61.119 60.123 0.996 1
1 420 . 5 1 1 A 41 41 TYR CB C 653 40.127 39.193 0.934 1
1 423 . 5 1 1 A 42 42 LEU H H 654 6.993 7.641 -0.648 1
1 424 . 5 1 1 A 42 42 LEU HA H 654 4.081 4.459 -0.378 1
1 433 . 5 1 1 A 42 42 LEU CA C 654 54.772 54.480 0.292 1
1 434 . 5 1 1 A 42 42 LEU CB C 654 41.890 41.913 -0.023 1
1 438 . 5 1 1 A 43 43 LEU H H 655 7.492 8.036 -0.544 1
1 439 . 5 1 1 A 43 43 LEU HA H 655 4.053 4.201 -0.148 1
1 449 . 5 1 1 A 43 43 LEU CA C 655 56.452 57.742 -1.290 1
1 450 . 5 1 1 A 43 43 LEU CB C 655 43.757 42.115 1.642 1
1 454 . 5 1 1 A 44 44 LEU H H 656 6.524 7.718 -1.194 1
1 455 . 5 1 1 A 44 44 LEU HA H 656 4.570 4.199 0.371 1
1 465 . 5 1 1 A 44 44 LEU CA C 656 51.971 54.545 -2.574 1
1 466 . 5 1 1 A 44 44 LEU CB C 656 45.437 41.792 3.645 1
1 470 . 5 1 1 A 45 45 ASN H H 657 8.812 8.733 0.079 1
1 471 . 5 1 1 A 45 45 ASN HA H 657 4.677 5.023 -0.346 1
1 476 . 5 1 1 A 45 45 ASN CA C 657 51.411 50.486 0.925 1
1 477 . 5 1 1 A 45 45 ASN CB C 657 36.482 39.379 -2.897 1
1 478 . 5 1 1 A 46 46 PRO HA H 658 4.678 4.227 0.451 1
1 484 . 5 1 1 A 46 46 PRO CB C 658 32.369 31.841 0.528 1
1 487 . 5 1 1 A 47 47 LYS H H 659 7.930 8.095 -0.165 1
1 488 . 5 1 1 A 47 47 LYS HA H 659 3.795 4.194 -0.399 1
1 494 . 5 1 1 A 47 47 LYS CA C 659 59.355 59.010 0.345 1
1 495 . 5 1 1 A 47 47 LYS CB C 659 32.369 33.132 -0.763 1
1 499 . 5 1 1 A 48 48 GLU H H 660 7.927 8.233 -0.306 1
1 500 . 5 1 1 A 48 48 GLU HA H 660 3.780 4.012 -0.232 1
1 505 . 5 1 1 A 48 48 GLU CA C 660 58.505 59.308 -0.803 1
1 506 . 5 1 1 A 48 48 GLU CB C 660 31.249 29.029 2.220 1
1 508 . 5 1 1 A 49 49 ARG H H 661 8.427 7.836 0.591 1
1 509 . 5 1 1 A 49 49 ARG HA H 661 3.792 3.918 -0.126 1
1 515 . 5 1 1 A 49 49 ARG CA C 661 59.626 58.575 1.051 1
1 516 . 5 1 1 A 49 49 ARG CB C 661 31.249 29.410 1.839 1
1 519 . 5 1 1 A 50 50 LYS H H 662 6.770 7.655 -0.885 1
1 520 . 5 1 1 A 50 50 LYS HA H 662 3.416 3.888 -0.472 1
1 529 . 5 1 1 A 50 50 LYS CA C 662 58.505 59.333 -0.828 1
1 530 . 5 1 1 A 50 50 LYS CB C 662 31.996 31.947 0.049 1
1 534 . 5 1 1 A 51 51 GLN H H 663 7.507 7.775 -0.268 1
1 535 . 5 1 1 A 51 51 GLN HA H 663 4.006 4.123 -0.117 1
1 541 . 5 1 1 A 51 51 GLN CA C 663 59.252 58.350 0.902 1
1 542 . 5 1 1 A 51 51 GLN CB C 663 28.822 28.469 0.353 1
1 544 . 5 1 1 A 52 52 VAL H H 664 8.038 7.789 0.249 1
1 545 . 5 1 1 A 52 52 VAL HA H 664 3.640 3.691 -0.051 1
1 553 . 5 1 1 A 52 52 VAL CA C 664 66.533 66.157 0.376 1
1 554 . 5 1 1 A 52 52 VAL CB C 664 31.623 31.615 0.008 1
1 557 . 5 1 1 A 53 53 PHE H H 665 8.756 8.123 0.633 1
1 558 . 5 1 1 A 53 53 PHE HA H 665 4.196 4.412 -0.216 1
1 564 . 5 1 1 A 53 53 PHE CA C 665 62.613 61.553 1.060 1
1 565 . 5 1 1 A 53 53 PHE CB C 665 40.397 39.258 1.139 1
1 568 . 5 1 1 A 54 54 ASP H H 666 9.000 8.163 0.837 1
1 569 . 5 1 1 A 54 54 ASP HA H 666 4.264 3.939 0.325 1
1 572 . 5 1 1 A 54 54 ASP CA C 666 57.572 57.157 0.415 1
1 573 . 5 1 1 A 54 54 ASP CB C 666 39.837 40.853 -1.016 1
1 574 . 5 1 1 A 55 55 GLN H H 667 7.619 7.805 -0.186 1
1 575 . 5 1 1 A 55 55 GLN HA H 667 4.027 4.110 -0.083 1
1 581 . 5 1 1 A 55 55 GLN CA C 667 58.692 58.589 0.103 1
1 582 . 5 1 1 A 55 55 GLN CB C 667 28.822 28.804 0.018 1
1 584 . 5 1 1 A 56 56 TYR H H 668 8.525 7.929 0.596 1
1 585 . 5 1 1 A 56 56 TYR HA H 668 4.095 4.176 -0.081 1
1 592 . 5 1 1 A 56 56 TYR CA C 668 61.306 61.352 -0.046 1
1 593 . 5 1 1 A 56 56 TYR CB C 668 39.277 38.479 0.798 1
1 596 . 5 1 1 A 57 57 VAL H H 669 8.518 7.910 0.608 1
1 597 . 5 1 1 A 57 57 VAL HA H 669 3.076 3.392 -0.316 1
1 605 . 5 1 1 A 57 57 VAL CA C 669 66.720 65.928 0.792 1
1 606 . 5 1 1 A 57 57 VAL CB C 669 31.788 30.974 0.814 1
1 609 . 5 1 1 A 58 58 LYS H H 670 7.401 7.627 -0.226 1
1 610 . 5 1 1 A 58 58 LYS HA H 670 3.991 4.000 -0.009 1
1 616 . 5 1 1 A 58 58 LYS CA C 670 58.505 59.268 -0.763 1
1 617 . 5 1 1 A 58 58 LYS CB C 670 32.929 32.229 0.700 1
1 621 . 5 1 1 A 59 59 THR H H 671 7.976 7.693 0.283 1
1 622 . 5 1 1 A 59 59 THR HA H 671 3.960 3.891 0.069 1
1 627 . 5 1 1 A 59 59 THR CA C 671 65.599 65.444 0.155 1
1 628 . 5 1 1 A 59 59 THR CB C 671 69.327 68.674 0.653 1
1 630 . 5 1 1 A 60 60 ARG H H 672 8.262 7.861 0.401 1
1 631 . 5 1 1 A 60 60 ARG HA H 672 3.889 3.920 -0.031 1
1 639 . 5 1 1 A 60 60 ARG CA C 672 57.572 59.408 -1.836 1
1 640 . 5 1 1 A 60 60 ARG CB C 672 29.584 29.567 0.017 1
1 643 . 5 1 1 A 61 61 ALA H H 673 7.955 7.719 0.236 1
1 644 . 5 1 1 A 61 61 ALA HA H 673 3.816 4.164 -0.348 1
1 648 . 5 1 1 A 61 61 ALA CA C 673 55.332 55.042 0.290 1
1 649 . 5 1 1 A 61 61 ALA CB C 673 18.566 18.628 -0.062 1
1 650 . 5 1 1 A 62 62 GLU H H 674 7.286 7.898 -0.612 1
1 651 . 5 1 1 A 62 62 GLU HA H 674 4.029 4.022 0.007 1
1 656 . 5 1 1 A 62 62 GLU CA C 674 58.692 59.563 -0.871 1
1 657 . 5 1 1 A 62 62 GLU CB C 674 29.575 29.484 0.091 1
1 659 . 5 1 1 A 63 63 GLU H H 675 7.851 7.762 0.089 1
1 660 . 5 1 1 A 63 63 GLU HA H 675 4.031 4.095 -0.064 1
1 664 . 5 1 1 A 63 63 GLU CA C 675 58.879 59.295 -0.416 1
1 665 . 5 1 1 A 63 63 GLU CB C 675 30.316 29.716 0.600 1
1 667 . 5 1 1 A 64 64 GLU H H 676 8.266 8.587 -0.321 1
1 668 . 5 1 1 A 64 64 GLU HA H 676 4.026 4.142 -0.116 1
1 673 . 5 1 1 A 64 64 GLU CA C 676 58.879 59.245 -0.366 1
1 674 . 5 1 1 A 64 64 GLU CB C 676 30.135 29.688 0.447 1
1 676 . 5 1 1 A 65 65 ARG H H 677 7.906 8.420 -0.514 1
1 677 . 5 1 1 A 65 65 ARG HA H 677 4.093 4.043 0.050 1
1 683 . 5 1 1 A 65 65 ARG CA C 677 58.132 59.393 -1.261 1
1 684 . 5 1 1 A 65 65 ARG CB C 677 30.695 29.825 0.870 1
1 687 . 5 1 1 A 66 66 ARG H H 678 7.801 7.984 -0.183 1
1 688 . 5 1 1 A 66 66 ARG HA H 678 4.094 4.041 0.053 1
1 693 . 5 1 1 A 66 66 ARG CA C 678 57.759 58.978 -1.219 1
1 694 . 5 1 1 A 66 66 ARG CB C 678 31.063 30.074 0.989 1
1 697 . 5 1 1 A 67 67 GLU H H 679 8.092 7.606 0.486 1
1 698 . 5 1 1 A 67 67 GLU HA H 679 4.110 4.362 -0.252 1
1 702 . 5 1 1 A 67 67 GLU CA C 679 57.385 58.113 -0.728 1
1 703 . 5 1 1 A 67 67 GLU CB C 679 30.135 30.646 -0.511 1
1 705 . 5 1 1 A 68 68 LYS H H 680 8.075 8.228 -0.153 1
1 706 . 5 1 1 A 68 68 LYS HA H 680 4.198 4.530 -0.332 1
1 711 . 5 1 1 A 68 68 LYS CA C 680 56.825 54.511 2.314 1
1 712 . 5 1 1 A 68 68 LYS CB C 680 32.929 32.289 0.640 1
1 715 . 5 1 1 A 69 69 LYS H H 681 8.130 8.183 -0.053 1
1 716 . 5 1 1 A 69 69 LYS HA H 681 4.222 3.916 0.306 1
1 721 . 5 1 1 A 69 69 LYS CA C 681 56.639 58.312 -1.673 1
1 722 . 5 1 1 A 69 69 LYS CB C 681 33.303 32.441 0.862 1
1 725 . 5 1 1 A 70 70 ASN H H 682 8.334 7.785 0.549 1
1 726 . 5 1 1 A 70 70 ASN HA H 682 4.638 4.862 -0.224 1
1 730 . 5 1 1 A 70 70 ASN CA C 682 53.465 52.338 1.127 1
1 731 . 5 1 1 A 70 70 ASN CB C 682 39.277 38.954 0.323 1
1 1 . 6 1 1 A 2 2 ALA H H 614 8.560 8.514 0.046 1
1 2 . 6 1 1 A 2 2 ALA HA H 614 4.296 3.883 0.413 1
1 6 . 6 1 1 A 2 2 ALA CA C 614 52.718 52.957 -0.239 1
1 7 . 6 1 1 A 2 2 ALA CB C 614 19.861 17.328 2.533 1
1 8 . 6 1 1 A 3 3 MET H H 615 8.554 7.728 0.826 1
1 9 . 6 1 1 A 3 3 MET HA H 615 4.397 5.054 -0.657 1
1 13 . 6 1 1 A 3 3 MET CA C 615 55.892 54.608 1.284 1
1 14 . 6 1 1 A 3 3 MET CB C 615 32.332 34.449 -2.117 1
1 16 . 6 1 1 A 4 4 GLY H H 616 8.503 8.822 -0.319 1
1 17 . 6 1 1 A 4 4 GLY HA2 H 616 3.957 4.224 -0.267 1
1 18 . 6 1 1 A 4 4 GLY CA C 616 45.064 43.715 1.349 1
1 19 . 6 1 1 A 5 5 SER H H 617 8.468 8.895 -0.427 1
1 20 . 6 1 1 A 5 5 SER HA H 617 4.354 4.580 -0.226 1
1 23 . 6 1 1 A 5 5 SER CA C 617 58.505 59.692 -1.187 1
1 24 . 6 1 1 A 5 5 SER CB C 617 64.666 63.946 0.720 1
1 25 . 6 1 1 A 6 6 LEU H H 618 8.773 8.112 0.661 1
1 26 . 6 1 1 A 6 6 LEU HA H 618 3.939 4.201 -0.262 1
1 36 . 6 1 1 A 6 6 LEU CA C 618 58.879 56.865 2.014 1
1 37 . 6 1 1 A 6 6 LEU CB C 618 41.517 42.664 -1.147 1
1 41 . 6 1 1 A 7 7 GLU H H 619 8.700 8.324 0.376 1
1 42 . 6 1 1 A 7 7 GLU HA H 619 3.822 4.075 -0.253 1
1 46 . 6 1 1 A 7 7 GLU CA C 619 60.537 59.164 1.373 1
1 47 . 6 1 1 A 7 7 GLU CB C 619 29.382 29.494 -0.112 1
1 49 . 6 1 1 A 8 8 ALA H H 620 7.936 8.301 -0.365 1
1 50 . 6 1 1 A 8 8 ALA HA H 620 4.111 4.095 0.016 1
1 54 . 6 1 1 A 8 8 ALA CA C 620 55.332 54.870 0.462 1
1 55 . 6 1 1 A 8 8 ALA CB C 620 18.741 18.261 0.480 1
1 56 . 6 1 1 A 9 9 ARG H H 621 8.378 7.978 0.400 1
1 57 . 6 1 1 A 9 9 ARG HA H 621 4.026 4.136 -0.110 1
1 65 . 6 1 1 A 9 9 ARG CA C 621 60.559 59.265 1.294 1
1 66 . 6 1 1 A 9 9 ARG CB C 621 30.689 30.121 0.568 1
1 69 . 6 1 1 A 10 10 MET H H 622 8.972 8.133 0.839 1
1 70 . 6 1 1 A 10 10 MET HA H 622 3.938 4.397 -0.459 1
1 78 . 6 1 1 A 10 10 MET CA C 622 60.746 57.286 3.460 1
1 79 . 6 1 1 A 10 10 MET CB C 622 33.293 31.869 1.424 1
1 82 . 6 1 1 A 11 11 LYS H H 623 7.762 7.809 -0.047 1
1 83 . 6 1 1 A 11 11 LYS HA H 623 4.008 4.174 -0.166 1
1 89 . 6 1 1 A 11 11 LYS CA C 623 59.812 59.174 0.638 1
1 90 . 6 1 1 A 11 11 LYS CB C 623 32.369 32.654 -0.285 1
1 94 . 6 1 1 A 12 12 GLN H H 624 7.820 8.342 -0.522 1
1 95 . 6 1 1 A 12 12 GLN HA H 624 4.112 4.184 -0.072 1
1 102 . 6 1 1 A 12 12 GLN CA C 624 59.626 58.412 1.214 1
1 103 . 6 1 1 A 12 12 GLN CB C 624 30.316 28.928 1.388 1
1 105 . 6 1 1 A 13 13 PHE H H 625 8.269 8.085 0.184 1
1 106 . 6 1 1 A 13 13 PHE HA H 625 3.801 4.158 -0.357 1
1 114 . 6 1 1 A 13 13 PHE CA C 625 61.679 61.410 0.269 1
1 115 . 6 1 1 A 13 13 PHE CB C 625 40.770 39.367 1.403 1
1 119 . 6 1 1 A 14 14 LYS H H 626 8.514 8.211 0.303 1
1 120 . 6 1 1 A 14 14 LYS HA H 626 3.642 3.959 -0.317 1
1 126 . 6 1 1 A 14 14 LYS CA C 626 61.119 60.209 0.910 1
1 127 . 6 1 1 A 14 14 LYS CB C 626 32.369 32.703 -0.334 1
1 131 . 6 1 1 A 15 15 ASP H H 627 8.586 8.229 0.357 1
1 132 . 6 1 1 A 15 15 ASP HA H 627 4.293 4.368 -0.075 1
1 135 . 6 1 1 A 15 15 ASP CA C 627 57.385 57.879 -0.494 1
1 136 . 6 1 1 A 15 15 ASP CB C 627 39.650 41.415 -1.765 1
1 137 . 6 1 1 A 16 16 MET H H 628 7.744 7.752 -0.008 1
1 138 . 6 1 1 A 16 16 MET HA H 628 3.647 4.095 -0.448 1
1 146 . 6 1 1 A 16 16 MET CA C 628 59.626 58.313 1.313 1
1 147 . 6 1 1 A 16 16 MET CB C 628 31.050 32.142 -1.092 1
1 150 . 6 1 1 A 17 17 LEU H H 629 7.522 7.937 -0.415 1
1 151 . 6 1 1 A 17 17 LEU HA H 629 3.325 3.822 -0.497 1
1 160 . 6 1 1 A 17 17 LEU CA C 629 58.132 57.532 0.600 1
1 161 . 6 1 1 A 17 17 LEU CB C 629 39.837 41.034 -1.197 1
1 165 . 6 1 1 A 18 18 LEU H H 630 6.961 7.722 -0.761 1
1 166 . 6 1 1 A 18 18 LEU HA H 630 4.374 4.442 -0.068 1
1 175 . 6 1 1 A 18 18 LEU CA C 630 57.759 57.380 0.379 1
1 176 . 6 1 1 A 18 18 LEU CB C 630 42.824 41.547 1.277 1
1 180 . 6 1 1 A 19 19 GLU H H 631 8.539 7.951 0.588 1
1 181 . 6 1 1 A 19 19 GLU HA H 631 3.863 4.040 -0.177 1
1 186 . 6 1 1 A 19 19 GLU CA C 631 59.439 59.398 0.041 1
1 187 . 6 1 1 A 19 19 GLU CB C 631 30.876 29.628 1.248 1
1 189 . 6 1 1 A 20 20 ARG H H 632 8.380 7.539 0.841 1
1 190 . 6 1 1 A 20 20 ARG HA H 632 4.259 4.359 -0.100 1
1 197 . 6 1 1 A 20 20 ARG CA C 632 54.025 55.400 -1.375 1
1 198 . 6 1 1 A 20 20 ARG CB C 632 29.569 30.232 -0.663 1
1 201 . 6 1 1 A 21 21 GLY H H 633 7.683 7.875 -0.192 1
1 202 . 6 1 1 A 21 21 GLY HA2 H 633 3.830 3.915 -0.085 1
1 203 . 6 1 1 A 21 21 GLY CA C 633 47.118 46.954 0.164 1
1 204 . 6 1 1 A 22 22 VAL H H 634 8.098 8.028 0.070 1
1 205 . 6 1 1 A 22 22 VAL HA H 634 3.796 4.566 -0.770 1
1 213 . 6 1 1 A 22 22 VAL CA C 634 64.106 61.723 2.383 1
1 214 . 6 1 1 A 22 22 VAL CB C 634 30.876 29.631 1.245 1
1 217 . 6 1 1 A 23 23 SER H H 635 9.022 8.451 0.571 1
1 218 . 6 1 1 A 23 23 SER HA H 635 4.489 3.968 0.521 1
1 221 . 6 1 1 A 23 23 SER CA C 635 57.199 58.918 -1.719 1
1 222 . 6 1 1 A 23 23 SER CB C 635 64.479 63.270 1.209 1
1 223 . 6 1 1 A 24 24 ALA H H 636 8.918 8.215 0.703 1
1 224 . 6 1 1 A 24 24 ALA HA H 636 3.996 3.841 0.155 1
1 228 . 6 1 1 A 24 24 ALA CA C 636 52.345 54.146 -1.801 1
1 229 . 6 1 1 A 24 24 ALA CB C 636 19.301 18.152 1.149 1
1 230 . 6 1 1 A 25 25 PHE H H 637 8.119 6.619 1.500 1
1 231 . 6 1 1 A 25 25 PHE HA H 637 4.702 4.831 -0.129 1
1 238 . 6 1 1 A 25 25 PHE CA C 637 56.639 55.790 0.849 1
1 239 . 6 1 1 A 25 25 PHE CB C 637 38.903 38.870 0.033 1
1 244 . 6 1 1 A 26 26 SER H H 638 7.800 8.431 -0.631 1
1 245 . 6 1 1 A 26 26 SER HA H 638 4.818 5.192 -0.374 1
1 248 . 6 1 1 A 26 26 SER CB C 638 64.666 66.635 -1.969 1
1 249 . 6 1 1 A 27 27 THR H H 639 8.881 8.478 0.403 1
1 250 . 6 1 1 A 27 27 THR HA H 639 4.943 4.935 0.008 1
1 255 . 6 1 1 A 27 27 THR CA C 639 59.252 60.330 -1.078 1
1 256 . 6 1 1 A 27 27 THR CB C 639 72.880 70.790 2.090 1
1 258 . 6 1 1 A 28 28 TRP H H 640 9.322 9.349 -0.027 1
1 259 . 6 1 1 A 28 28 TRP HA H 640 3.552 4.011 -0.459 1
1 267 . 6 1 1 A 28 28 TRP CA C 640 60.186 60.912 -0.726 1
1 268 . 6 1 1 A 28 28 TRP CB C 640 29.948 29.603 0.345 1
1 274 . 6 1 1 A 29 29 GLU H H 641 8.839 7.908 0.931 1
1 275 . 6 1 1 A 29 29 GLU HA H 641 3.573 3.924 -0.351 1
1 280 . 6 1 1 A 29 29 GLU CA C 641 60.746 59.095 1.651 1
1 281 . 6 1 1 A 29 29 GLU CB C 641 29.196 29.248 -0.052 1
1 283 . 6 1 1 A 30 30 LYS H H 642 7.667 7.422 0.245 1
1 284 . 6 1 1 A 30 30 LYS HA H 642 4.118 4.126 -0.008 1
1 291 . 6 1 1 A 30 30 LYS CA C 642 58.879 59.909 -1.030 1
1 292 . 6 1 1 A 30 30 LYS CB C 642 33.293 32.159 1.134 1
1 296 . 6 1 1 A 31 31 GLU H H 643 7.748 7.678 0.070 1
1 297 . 6 1 1 A 31 31 GLU HA H 643 4.047 3.867 0.180 1
1 302 . 6 1 1 A 31 31 GLU CA C 643 56.265 58.935 -2.670 1
1 303 . 6 1 1 A 31 31 GLU CB C 643 31.623 29.135 2.488 1
1 305 . 6 1 1 A 32 32 LEU H H 644 7.218 7.341 -0.123 1
1 306 . 6 1 1 A 32 32 LEU HA H 644 3.140 3.287 -0.147 1
1 316 . 6 1 1 A 32 32 LEU CA C 644 58.132 57.748 0.384 1
1 317 . 6 1 1 A 32 32 LEU CB C 644 41.890 41.643 0.247 1
1 321 . 6 1 1 A 33 33 HIS H H 645 8.471 7.906 0.565 1
1 322 . 6 1 1 A 33 33 HIS HA H 645 4.005 4.078 -0.073 1
1 327 . 6 1 1 A 33 33 HIS CA C 645 58.505 59.033 -0.528 1
1 328 . 6 1 1 A 33 33 HIS CB C 645 28.449 28.413 0.036 1
1 331 . 6 1 1 A 34 34 LYS H H 646 7.429 7.006 0.423 1
1 332 . 6 1 1 A 34 34 LYS HA H 646 3.816 3.767 0.049 1
1 340 . 6 1 1 A 34 34 LYS CA C 646 58.505 59.023 -0.518 1
1 341 . 6 1 1 A 34 34 LYS CB C 646 34.615 32.301 2.314 1
1 345 . 6 1 1 A 35 35 ILE H H 647 7.152 7.262 -0.110 1
1 346 . 6 1 1 A 35 35 ILE HA H 647 4.156 4.143 0.013 1
1 354 . 6 1 1 A 35 35 ILE CA C 647 61.492 61.333 0.159 1
1 355 . 6 1 1 A 35 35 ILE CB C 647 40.957 38.318 2.639 1
1 358 . 6 1 1 A 36 36 VAL H H 648 6.892 8.035 -1.143 1
1 359 . 6 1 1 A 36 36 VAL HA H 648 2.231 3.229 -0.998 1
1 367 . 6 1 1 A 36 36 VAL CA C 648 63.733 65.664 -1.931 1
1 368 . 6 1 1 A 36 36 VAL CB C 648 31.436 31.040 0.396 1
1 371 . 6 1 1 A 37 37 PHE H H 649 7.254 7.672 -0.418 1
1 372 . 6 1 1 A 37 37 PHE HA H 649 4.629 4.172 0.457 1
1 378 . 6 1 1 A 37 37 PHE CA C 649 56.078 60.612 -4.534 1
1 379 . 6 1 1 A 37 37 PHE CB C 649 38.717 38.870 -0.153 1
1 383 . 6 1 1 A 38 38 ASP H H 650 7.527 7.336 0.191 1
1 384 . 6 1 1 A 38 38 ASP HA H 650 4.690 4.866 -0.176 1
1 387 . 6 1 1 A 38 38 ASP CA C 650 51.971 50.995 0.976 1
1 388 . 6 1 1 A 38 38 ASP CB C 650 44.055 42.558 1.497 1
1 389 . 6 1 1 A 39 39 PRO HA H 651 4.267 4.487 -0.220 1
1 395 . 6 1 1 A 39 39 PRO CA C 651 65.599 64.297 1.302 1
1 396 . 6 1 1 A 39 39 PRO CB C 651 32.556 32.013 0.543 1
1 399 . 6 1 1 A 40 40 ARG H H 652 9.454 8.829 0.625 1
1 400 . 6 1 1 A 40 40 ARG HA H 652 3.978 4.158 -0.180 1
1 408 . 6 1 1 A 40 40 ARG CA C 652 58.505 57.945 0.560 1
1 409 . 6 1 1 A 40 40 ARG CB C 652 30.129 28.867 1.262 1
1 412 . 6 1 1 A 41 41 TYR H H 653 8.320 8.093 0.227 1
1 413 . 6 1 1 A 41 41 TYR HA H 653 4.145 3.791 0.354 1
1 419 . 6 1 1 A 41 41 TYR CA C 653 61.119 59.971 1.148 1
1 420 . 6 1 1 A 41 41 TYR CB C 653 40.127 39.136 0.991 1
1 423 . 6 1 1 A 42 42 LEU H H 654 6.993 7.724 -0.731 1
1 424 . 6 1 1 A 42 42 LEU HA H 654 4.081 4.408 -0.327 1
1 433 . 6 1 1 A 42 42 LEU CA C 654 54.772 54.297 0.475 1
1 434 . 6 1 1 A 42 42 LEU CB C 654 41.890 42.007 -0.117 1
1 438 . 6 1 1 A 43 43 LEU H H 655 7.492 7.722 -0.230 1
1 439 . 6 1 1 A 43 43 LEU HA H 655 4.053 4.254 -0.201 1
1 449 . 6 1 1 A 43 43 LEU CA C 655 56.452 57.425 -0.973 1
1 450 . 6 1 1 A 43 43 LEU CB C 655 43.757 42.115 1.642 1
1 454 . 6 1 1 A 44 44 LEU H H 656 6.524 7.956 -1.432 1
1 455 . 6 1 1 A 44 44 LEU HA H 656 4.570 4.313 0.257 1
1 465 . 6 1 1 A 44 44 LEU CA C 656 51.971 54.726 -2.755 1
1 466 . 6 1 1 A 44 44 LEU CB C 656 45.437 41.947 3.490 1
1 470 . 6 1 1 A 45 45 ASN H H 657 8.812 8.688 0.124 1
1 471 . 6 1 1 A 45 45 ASN HA H 657 4.677 5.076 -0.399 1
1 476 . 6 1 1 A 45 45 ASN CA C 657 51.411 50.495 0.916 1
1 477 . 6 1 1 A 45 45 ASN CB C 657 36.482 38.864 -2.382 1
1 478 . 6 1 1 A 46 46 PRO HA H 658 4.678 4.219 0.459 1
1 484 . 6 1 1 A 46 46 PRO CB C 658 32.369 31.850 0.519 1
1 487 . 6 1 1 A 47 47 LYS H H 659 7.930 8.187 -0.257 1
1 488 . 6 1 1 A 47 47 LYS HA H 659 3.795 4.154 -0.359 1
1 494 . 6 1 1 A 47 47 LYS CA C 659 59.355 59.136 0.219 1
1 495 . 6 1 1 A 47 47 LYS CB C 659 32.369 32.864 -0.495 1
1 499 . 6 1 1 A 48 48 GLU H H 660 7.927 8.243 -0.316 1
1 500 . 6 1 1 A 48 48 GLU HA H 660 3.780 4.081 -0.301 1
1 505 . 6 1 1 A 48 48 GLU CA C 660 58.505 59.132 -0.627 1
1 506 . 6 1 1 A 48 48 GLU CB C 660 31.249 29.249 2.000 1
1 508 . 6 1 1 A 49 49 ARG H H 661 8.427 7.875 0.552 1
1 509 . 6 1 1 A 49 49 ARG HA H 661 3.792 3.810 -0.018 1
1 515 . 6 1 1 A 49 49 ARG CA C 661 59.626 58.515 1.111 1
1 516 . 6 1 1 A 49 49 ARG CB C 661 31.249 29.225 2.024 1
1 519 . 6 1 1 A 50 50 LYS H H 662 6.770 7.759 -0.989 1
1 520 . 6 1 1 A 50 50 LYS HA H 662 3.416 3.937 -0.521 1
1 529 . 6 1 1 A 50 50 LYS CA C 662 58.505 59.343 -0.838 1
1 530 . 6 1 1 A 50 50 LYS CB C 662 31.996 32.078 -0.082 1
1 534 . 6 1 1 A 51 51 GLN H H 663 7.507 7.798 -0.291 1
1 535 . 6 1 1 A 51 51 GLN HA H 663 4.006 4.064 -0.058 1
1 541 . 6 1 1 A 51 51 GLN CA C 663 59.252 58.720 0.532 1
1 542 . 6 1 1 A 51 51 GLN CB C 663 28.822 28.053 0.769 1
1 544 . 6 1 1 A 52 52 VAL H H 664 8.038 7.524 0.514 1
1 545 . 6 1 1 A 52 52 VAL HA H 664 3.640 3.605 0.035 1
1 553 . 6 1 1 A 52 52 VAL CA C 664 66.533 66.439 0.094 1
1 554 . 6 1 1 A 52 52 VAL CB C 664 31.623 31.635 -0.012 1
1 557 . 6 1 1 A 53 53 PHE H H 665 8.756 8.452 0.304 1
1 558 . 6 1 1 A 53 53 PHE HA H 665 4.196 4.276 -0.080 1
1 564 . 6 1 1 A 53 53 PHE CA C 665 62.613 61.982 0.631 1
1 565 . 6 1 1 A 53 53 PHE CB C 665 40.397 39.229 1.168 1
1 568 . 6 1 1 A 54 54 ASP H H 666 9.000 8.184 0.816 1
1 569 . 6 1 1 A 54 54 ASP HA H 666 4.264 3.986 0.278 1
1 572 . 6 1 1 A 54 54 ASP CA C 666 57.572 56.977 0.595 1
1 573 . 6 1 1 A 54 54 ASP CB C 666 39.837 40.609 -0.772 1
1 574 . 6 1 1 A 55 55 GLN H H 667 7.619 8.330 -0.711 1
1 575 . 6 1 1 A 55 55 GLN HA H 667 4.027 3.998 0.029 1
1 581 . 6 1 1 A 55 55 GLN CA C 667 58.692 58.981 -0.289 1
1 582 . 6 1 1 A 55 55 GLN CB C 667 28.822 28.471 0.351 1
1 584 . 6 1 1 A 56 56 TYR H H 668 8.525 7.889 0.636 1
1 585 . 6 1 1 A 56 56 TYR HA H 668 4.095 4.174 -0.079 1
1 592 . 6 1 1 A 56 56 TYR CA C 668 61.306 61.362 -0.056 1
1 593 . 6 1 1 A 56 56 TYR CB C 668 39.277 39.077 0.200 1
1 596 . 6 1 1 A 57 57 VAL H H 669 8.518 8.078 0.440 1
1 597 . 6 1 1 A 57 57 VAL HA H 669 3.076 3.585 -0.509 1
1 605 . 6 1 1 A 57 57 VAL CA C 669 66.720 65.565 1.155 1
1 606 . 6 1 1 A 57 57 VAL CB C 669 31.788 31.238 0.550 1
1 609 . 6 1 1 A 58 58 LYS H H 670 7.401 7.838 -0.437 1
1 610 . 6 1 1 A 58 58 LYS HA H 670 3.991 4.061 -0.070 1
1 616 . 6 1 1 A 58 58 LYS CA C 670 58.505 58.866 -0.361 1
1 617 . 6 1 1 A 58 58 LYS CB C 670 32.929 32.523 0.406 1
1 621 . 6 1 1 A 59 59 THR H H 671 7.976 7.755 0.221 1
1 622 . 6 1 1 A 59 59 THR HA H 671 3.960 3.890 0.070 1
1 627 . 6 1 1 A 59 59 THR CA C 671 65.599 65.033 0.566 1
1 628 . 6 1 1 A 59 59 THR CB C 671 69.327 68.716 0.611 1
1 630 . 6 1 1 A 60 60 ARG H H 672 8.262 7.934 0.328 1
1 631 . 6 1 1 A 60 60 ARG HA H 672 3.889 3.899 -0.010 1
1 639 . 6 1 1 A 60 60 ARG CA C 672 57.572 58.960 -1.388 1
1 640 . 6 1 1 A 60 60 ARG CB C 672 29.584 29.775 -0.191 1
1 643 . 6 1 1 A 61 61 ALA H H 673 7.955 7.823 0.132 1
1 644 . 6 1 1 A 61 61 ALA HA H 673 3.816 4.125 -0.309 1
1 648 . 6 1 1 A 61 61 ALA CA C 673 55.332 54.918 0.414 1
1 649 . 6 1 1 A 61 61 ALA CB C 673 18.566 18.506 0.060 1
1 650 . 6 1 1 A 62 62 GLU H H 674 7.286 8.086 -0.800 1
1 651 . 6 1 1 A 62 62 GLU HA H 674 4.029 4.005 0.024 1
1 656 . 6 1 1 A 62 62 GLU CA C 674 58.692 59.582 -0.890 1
1 657 . 6 1 1 A 62 62 GLU CB C 674 29.575 29.425 0.150 1
1 659 . 6 1 1 A 63 63 GLU H H 675 7.851 8.131 -0.280 1
1 660 . 6 1 1 A 63 63 GLU HA H 675 4.031 4.053 -0.022 1
1 664 . 6 1 1 A 63 63 GLU CA C 675 58.879 59.318 -0.439 1
1 665 . 6 1 1 A 63 63 GLU CB C 675 30.316 29.019 1.297 1
1 667 . 6 1 1 A 64 64 GLU H H 676 8.266 8.469 -0.203 1
1 668 . 6 1 1 A 64 64 GLU HA H 676 4.026 4.166 -0.140 1
1 673 . 6 1 1 A 64 64 GLU CA C 676 58.879 58.218 0.661 1
1 674 . 6 1 1 A 64 64 GLU CB C 676 30.135 29.376 0.759 1
1 676 . 6 1 1 A 65 65 ARG H H 677 7.906 8.087 -0.181 1
1 677 . 6 1 1 A 65 65 ARG HA H 677 4.093 4.227 -0.134 1
1 683 . 6 1 1 A 65 65 ARG CA C 677 58.132 58.317 -0.185 1
1 684 . 6 1 1 A 65 65 ARG CB C 677 30.695 30.393 0.302 1
1 687 . 6 1 1 A 66 66 ARG H H 678 7.801 7.710 0.091 1
1 688 . 6 1 1 A 66 66 ARG HA H 678 4.094 4.326 -0.232 1
1 693 . 6 1 1 A 66 66 ARG CA C 678 57.759 58.040 -0.281 1
1 694 . 6 1 1 A 66 66 ARG CB C 678 31.063 31.241 -0.178 1
1 697 . 6 1 1 A 67 67 GLU H H 679 8.092 7.851 0.241 1
1 698 . 6 1 1 A 67 67 GLU HA H 679 4.110 4.296 -0.186 1
1 702 . 6 1 1 A 67 67 GLU CA C 679 57.385 58.364 -0.979 1
1 703 . 6 1 1 A 67 67 GLU CB C 679 30.135 30.730 -0.595 1
1 705 . 6 1 1 A 68 68 LYS H H 680 8.075 8.141 -0.066 1
1 706 . 6 1 1 A 68 68 LYS HA H 680 4.198 4.379 -0.181 1
1 711 . 6 1 1 A 68 68 LYS CA C 680 56.825 56.097 0.728 1
1 712 . 6 1 1 A 68 68 LYS CB C 680 32.929 32.492 0.437 1
1 715 . 6 1 1 A 69 69 LYS H H 681 8.130 8.103 0.027 1
1 716 . 6 1 1 A 69 69 LYS HA H 681 4.222 4.601 -0.379 1
1 721 . 6 1 1 A 69 69 LYS CA C 681 56.639 57.340 -0.701 1
1 722 . 6 1 1 A 69 69 LYS CB C 681 33.303 32.471 0.832 1
1 725 . 6 1 1 A 70 70 ASN H H 682 8.334 8.646 -0.312 1
1 726 . 6 1 1 A 70 70 ASN HA H 682 4.638 4.812 -0.174 1
1 730 . 6 1 1 A 70 70 ASN CA C 682 53.465 53.072 0.393 1
1 731 . 6 1 1 A 70 70 ASN CB C 682 39.277 37.435 1.842 1
1 1 . 7 1 1 A 2 2 ALA H H 614 8.560 8.125 0.435 1
1 2 . 7 1 1 A 2 2 ALA HA H 614 4.296 3.927 0.369 1
1 6 . 7 1 1 A 2 2 ALA CA C 614 52.718 52.922 -0.204 1
1 7 . 7 1 1 A 2 2 ALA CB C 614 19.861 17.467 2.394 1
1 8 . 7 1 1 A 3 3 MET H H 615 8.554 8.031 0.523 1
1 9 . 7 1 1 A 3 3 MET HA H 615 4.397 4.685 -0.288 1
1 13 . 7 1 1 A 3 3 MET CA C 615 55.892 55.468 0.424 1
1 14 . 7 1 1 A 3 3 MET CB C 615 32.332 33.832 -1.500 1
1 16 . 7 1 1 A 4 4 GLY H H 616 8.503 8.427 0.076 1
1 17 . 7 1 1 A 4 4 GLY HA2 H 616 3.957 4.215 -0.258 1
1 18 . 7 1 1 A 4 4 GLY CA C 616 45.064 44.922 0.142 1
1 19 . 7 1 1 A 5 5 SER H H 617 8.468 8.435 0.033 1
1 20 . 7 1 1 A 5 5 SER HA H 617 4.354 4.765 -0.411 1
1 23 . 7 1 1 A 5 5 SER CA C 617 58.505 59.238 -0.733 1
1 24 . 7 1 1 A 5 5 SER CB C 617 64.666 64.877 -0.211 1
1 25 . 7 1 1 A 6 6 LEU H H 618 8.773 8.110 0.663 1
1 26 . 7 1 1 A 6 6 LEU HA H 618 3.939 4.042 -0.103 1
1 36 . 7 1 1 A 6 6 LEU CA C 618 58.879 57.680 1.199 1
1 37 . 7 1 1 A 6 6 LEU CB C 618 41.517 41.660 -0.143 1
1 41 . 7 1 1 A 7 7 GLU H H 619 8.700 8.449 0.251 1
1 42 . 7 1 1 A 7 7 GLU HA H 619 3.822 3.992 -0.170 1
1 46 . 7 1 1 A 7 7 GLU CA C 619 60.537 59.148 1.389 1
1 47 . 7 1 1 A 7 7 GLU CB C 619 29.382 29.678 -0.296 1
1 49 . 7 1 1 A 8 8 ALA H H 620 7.936 8.352 -0.416 1
1 50 . 7 1 1 A 8 8 ALA HA H 620 4.111 4.068 0.043 1
1 54 . 7 1 1 A 8 8 ALA CA C 620 55.332 55.118 0.214 1
1 55 . 7 1 1 A 8 8 ALA CB C 620 18.741 18.216 0.525 1
1 56 . 7 1 1 A 9 9 ARG H H 621 8.378 7.499 0.879 1
1 57 . 7 1 1 A 9 9 ARG HA H 621 4.026 4.131 -0.105 1
1 65 . 7 1 1 A 9 9 ARG CA C 621 60.559 58.983 1.576 1
1 66 . 7 1 1 A 9 9 ARG CB C 621 30.689 29.940 0.749 1
1 69 . 7 1 1 A 10 10 MET H H 622 8.972 8.374 0.598 1
1 70 . 7 1 1 A 10 10 MET HA H 622 3.938 4.294 -0.356 1
1 78 . 7 1 1 A 10 10 MET CA C 622 60.746 57.868 2.878 1
1 79 . 7 1 1 A 10 10 MET CB C 622 33.293 32.401 0.892 1
1 82 . 7 1 1 A 11 11 LYS H H 623 7.762 7.667 0.095 1
1 83 . 7 1 1 A 11 11 LYS HA H 623 4.008 4.226 -0.218 1
1 89 . 7 1 1 A 11 11 LYS CA C 623 59.812 58.978 0.834 1
1 90 . 7 1 1 A 11 11 LYS CB C 623 32.369 32.591 -0.222 1
1 94 . 7 1 1 A 12 12 GLN H H 624 7.820 8.721 -0.901 1
1 95 . 7 1 1 A 12 12 GLN HA H 624 4.112 4.332 -0.220 1
1 102 . 7 1 1 A 12 12 GLN CA C 624 59.626 58.074 1.552 1
1 103 . 7 1 1 A 12 12 GLN CB C 624 30.316 27.751 2.565 1
1 105 . 7 1 1 A 13 13 PHE H H 625 8.269 8.115 0.154 1
1 106 . 7 1 1 A 13 13 PHE HA H 625 3.801 4.178 -0.377 1
1 114 . 7 1 1 A 13 13 PHE CA C 625 61.679 61.117 0.562 1
1 115 . 7 1 1 A 13 13 PHE CB C 625 40.770 38.978 1.792 1
1 119 . 7 1 1 A 14 14 LYS H H 626 8.514 8.116 0.398 1
1 120 . 7 1 1 A 14 14 LYS HA H 626 3.642 3.879 -0.237 1
1 126 . 7 1 1 A 14 14 LYS CA C 626 61.119 60.102 1.017 1
1 127 . 7 1 1 A 14 14 LYS CB C 626 32.369 32.317 0.052 1
1 131 . 7 1 1 A 15 15 ASP H H 627 8.586 8.295 0.291 1
1 132 . 7 1 1 A 15 15 ASP HA H 627 4.293 4.405 -0.112 1
1 135 . 7 1 1 A 15 15 ASP CA C 627 57.385 57.523 -0.138 1
1 136 . 7 1 1 A 15 15 ASP CB C 627 39.650 40.938 -1.288 1
1 137 . 7 1 1 A 16 16 MET H H 628 7.744 7.797 -0.053 1
1 138 . 7 1 1 A 16 16 MET HA H 628 3.647 4.068 -0.421 1
1 146 . 7 1 1 A 16 16 MET CA C 628 59.626 58.310 1.316 1
1 147 . 7 1 1 A 16 16 MET CB C 628 31.050 32.241 -1.191 1
1 150 . 7 1 1 A 17 17 LEU H H 629 7.522 7.758 -0.236 1
1 151 . 7 1 1 A 17 17 LEU HA H 629 3.325 3.712 -0.387 1
1 160 . 7 1 1 A 17 17 LEU CA C 629 58.132 57.524 0.608 1
1 161 . 7 1 1 A 17 17 LEU CB C 629 39.837 40.891 -1.054 1
1 165 . 7 1 1 A 18 18 LEU H H 630 6.961 7.392 -0.431 1
1 166 . 7 1 1 A 18 18 LEU HA H 630 4.374 4.586 -0.212 1
1 175 . 7 1 1 A 18 18 LEU CA C 630 57.759 56.882 0.877 1
1 176 . 7 1 1 A 18 18 LEU CB C 630 42.824 42.069 0.755 1
1 180 . 7 1 1 A 19 19 GLU H H 631 8.539 7.820 0.719 1
1 181 . 7 1 1 A 19 19 GLU HA H 631 3.863 4.001 -0.138 1
1 186 . 7 1 1 A 19 19 GLU CA C 631 59.439 59.523 -0.084 1
1 187 . 7 1 1 A 19 19 GLU CB C 631 30.876 29.301 1.575 1
1 189 . 7 1 1 A 20 20 ARG H H 632 8.380 7.499 0.881 1
1 190 . 7 1 1 A 20 20 ARG HA H 632 4.259 4.343 -0.084 1
1 197 . 7 1 1 A 20 20 ARG CA C 632 54.025 55.744 -1.719 1
1 198 . 7 1 1 A 20 20 ARG CB C 632 29.569 30.874 -1.305 1
1 201 . 7 1 1 A 21 21 GLY H H 633 7.683 7.782 -0.099 1
1 202 . 7 1 1 A 21 21 GLY HA2 H 633 3.830 3.920 -0.090 1
1 203 . 7 1 1 A 21 21 GLY CA C 633 47.118 46.772 0.346 1
1 204 . 7 1 1 A 22 22 VAL H H 634 8.098 8.138 -0.040 1
1 205 . 7 1 1 A 22 22 VAL HA H 634 3.796 4.131 -0.335 1
1 213 . 7 1 1 A 22 22 VAL CA C 634 64.106 62.043 2.063 1
1 214 . 7 1 1 A 22 22 VAL CB C 634 30.876 29.922 0.954 1
1 217 . 7 1 1 A 23 23 SER H H 635 9.022 8.626 0.396 1
1 218 . 7 1 1 A 23 23 SER HA H 635 4.489 3.956 0.533 1
1 221 . 7 1 1 A 23 23 SER CA C 635 57.199 58.960 -1.761 1
1 222 . 7 1 1 A 23 23 SER CB C 635 64.479 63.380 1.099 1
1 223 . 7 1 1 A 24 24 ALA H H 636 8.918 8.330 0.588 1
1 224 . 7 1 1 A 24 24 ALA HA H 636 3.996 3.911 0.085 1
1 228 . 7 1 1 A 24 24 ALA CA C 636 52.345 53.665 -1.320 1
1 229 . 7 1 1 A 24 24 ALA CB C 636 19.301 18.390 0.911 1
1 230 . 7 1 1 A 25 25 PHE H H 637 8.119 6.784 1.335 1
1 231 . 7 1 1 A 25 25 PHE HA H 637 4.702 4.839 -0.137 1
1 238 . 7 1 1 A 25 25 PHE CA C 637 56.639 55.861 0.778 1
1 239 . 7 1 1 A 25 25 PHE CB C 637 38.903 38.804 0.099 1
1 244 . 7 1 1 A 26 26 SER H H 638 7.800 8.115 -0.315 1
1 245 . 7 1 1 A 26 26 SER HA H 638 4.818 5.123 -0.305 1
1 248 . 7 1 1 A 26 26 SER CB C 638 64.666 67.500 -2.834 1
1 249 . 7 1 1 A 27 27 THR H H 639 8.881 8.418 0.463 1
1 250 . 7 1 1 A 27 27 THR HA H 639 4.943 4.715 0.228 1
1 255 . 7 1 1 A 27 27 THR CA C 639 59.252 60.863 -1.611 1
1 256 . 7 1 1 A 27 27 THR CB C 639 72.880 69.800 3.080 1
1 258 . 7 1 1 A 28 28 TRP H H 640 9.322 9.293 0.029 1
1 259 . 7 1 1 A 28 28 TRP HA H 640 3.552 4.082 -0.530 1
1 267 . 7 1 1 A 28 28 TRP CA C 640 60.186 60.992 -0.806 1
1 268 . 7 1 1 A 28 28 TRP CB C 640 29.948 29.718 0.230 1
1 274 . 7 1 1 A 29 29 GLU H H 641 8.839 7.748 1.091 1
1 275 . 7 1 1 A 29 29 GLU HA H 641 3.573 4.103 -0.530 1
1 280 . 7 1 1 A 29 29 GLU CA C 641 60.746 59.431 1.315 1
1 281 . 7 1 1 A 29 29 GLU CB C 641 29.196 29.712 -0.516 1
1 283 . 7 1 1 A 30 30 LYS H H 642 7.667 7.593 0.074 1
1 284 . 7 1 1 A 30 30 LYS HA H 642 4.118 4.134 -0.016 1
1 291 . 7 1 1 A 30 30 LYS CA C 642 58.879 59.554 -0.675 1
1 292 . 7 1 1 A 30 30 LYS CB C 642 33.293 32.058 1.235 1
1 296 . 7 1 1 A 31 31 GLU H H 643 7.748 7.736 0.012 1
1 297 . 7 1 1 A 31 31 GLU HA H 643 4.047 3.774 0.273 1
1 302 . 7 1 1 A 31 31 GLU CA C 643 56.265 58.854 -2.589 1
1 303 . 7 1 1 A 31 31 GLU CB C 643 31.623 29.136 2.487 1
1 305 . 7 1 1 A 32 32 LEU H H 644 7.218 7.611 -0.393 1
1 306 . 7 1 1 A 32 32 LEU HA H 644 3.140 3.280 -0.140 1
1 316 . 7 1 1 A 32 32 LEU CA C 644 58.132 57.637 0.495 1
1 317 . 7 1 1 A 32 32 LEU CB C 644 41.890 41.421 0.469 1
1 321 . 7 1 1 A 33 33 HIS H H 645 8.471 7.878 0.593 1
1 322 . 7 1 1 A 33 33 HIS HA H 645 4.005 4.175 -0.170 1
1 327 . 7 1 1 A 33 33 HIS CA C 645 58.505 59.148 -0.643 1
1 328 . 7 1 1 A 33 33 HIS CB C 645 28.449 28.720 -0.271 1
1 331 . 7 1 1 A 34 34 LYS H H 646 7.429 6.946 0.483 1
1 332 . 7 1 1 A 34 34 LYS HA H 646 3.816 3.713 0.103 1
1 340 . 7 1 1 A 34 34 LYS CA C 646 58.505 59.302 -0.797 1
1 341 . 7 1 1 A 34 34 LYS CB C 646 34.615 32.310 2.305 1
1 345 . 7 1 1 A 35 35 ILE H H 647 7.152 7.654 -0.502 1
1 346 . 7 1 1 A 35 35 ILE HA H 647 4.156 4.186 -0.030 1
1 354 . 7 1 1 A 35 35 ILE CA C 647 61.492 63.548 -2.056 1
1 355 . 7 1 1 A 35 35 ILE CB C 647 40.957 38.265 2.692 1
1 358 . 7 1 1 A 36 36 VAL H H 648 6.892 8.302 -1.410 1
1 359 . 7 1 1 A 36 36 VAL HA H 648 2.231 3.680 -1.449 1
1 367 . 7 1 1 A 36 36 VAL CA C 648 63.733 65.284 -1.551 1
1 368 . 7 1 1 A 36 36 VAL CB C 648 31.436 30.955 0.481 1
1 371 . 7 1 1 A 37 37 PHE H H 649 7.254 8.068 -0.814 1
1 372 . 7 1 1 A 37 37 PHE HA H 649 4.629 4.358 0.271 1
1 378 . 7 1 1 A 37 37 PHE CA C 649 56.078 58.941 -2.863 1
1 379 . 7 1 1 A 37 37 PHE CB C 649 38.717 37.622 1.095 1
1 383 . 7 1 1 A 38 38 ASP H H 650 7.527 8.059 -0.532 1
1 384 . 7 1 1 A 38 38 ASP HA H 650 4.690 4.595 0.095 1
1 387 . 7 1 1 A 38 38 ASP CA C 650 51.971 50.623 1.348 1
1 388 . 7 1 1 A 38 38 ASP CB C 650 44.055 42.028 2.027 1
1 389 . 7 1 1 A 39 39 PRO HA H 651 4.267 4.508 -0.241 1
1 395 . 7 1 1 A 39 39 PRO CA C 651 65.599 63.927 1.672 1
1 396 . 7 1 1 A 39 39 PRO CB C 651 32.556 32.326 0.230 1
1 399 . 7 1 1 A 40 40 ARG H H 652 9.454 8.428 1.026 1
1 400 . 7 1 1 A 40 40 ARG HA H 652 3.978 4.183 -0.205 1
1 408 . 7 1 1 A 40 40 ARG CA C 652 58.505 58.555 -0.050 1
1 409 . 7 1 1 A 40 40 ARG CB C 652 30.129 29.764 0.365 1
1 412 . 7 1 1 A 41 41 TYR H H 653 8.320 8.080 0.240 1
1 413 . 7 1 1 A 41 41 TYR HA H 653 4.145 4.242 -0.097 1
1 419 . 7 1 1 A 41 41 TYR CA C 653 61.119 60.568 0.551 1
1 420 . 7 1 1 A 41 41 TYR CB C 653 40.127 38.971 1.156 1
1 423 . 7 1 1 A 42 42 LEU H H 654 6.993 7.551 -0.558 1
1 424 . 7 1 1 A 42 42 LEU HA H 654 4.081 4.510 -0.429 1
1 433 . 7 1 1 A 42 42 LEU CA C 654 54.772 54.319 0.453 1
1 434 . 7 1 1 A 42 42 LEU CB C 654 41.890 42.525 -0.635 1
1 438 . 7 1 1 A 43 43 LEU H H 655 7.492 7.543 -0.051 1
1 439 . 7 1 1 A 43 43 LEU HA H 655 4.053 4.261 -0.208 1
1 449 . 7 1 1 A 43 43 LEU CA C 655 56.452 57.107 -0.655 1
1 450 . 7 1 1 A 43 43 LEU CB C 655 43.757 42.013 1.744 1
1 454 . 7 1 1 A 44 44 LEU H H 656 6.524 7.572 -1.048 1
1 455 . 7 1 1 A 44 44 LEU HA H 656 4.570 4.194 0.376 1
1 465 . 7 1 1 A 44 44 LEU CA C 656 51.971 54.507 -2.536 1
1 466 . 7 1 1 A 44 44 LEU CB C 656 45.437 41.794 3.643 1
1 470 . 7 1 1 A 45 45 ASN H H 657 8.812 8.870 -0.058 1
1 471 . 7 1 1 A 45 45 ASN HA H 657 4.677 4.978 -0.301 1
1 476 . 7 1 1 A 45 45 ASN CA C 657 51.411 50.727 0.684 1
1 477 . 7 1 1 A 45 45 ASN CB C 657 36.482 38.752 -2.270 1
1 478 . 7 1 1 A 46 46 PRO HA H 658 4.678 4.254 0.424 1
1 484 . 7 1 1 A 46 46 PRO CB C 658 32.369 31.847 0.522 1
1 487 . 7 1 1 A 47 47 LYS H H 659 7.930 7.865 0.065 1
1 488 . 7 1 1 A 47 47 LYS HA H 659 3.795 4.149 -0.354 1
1 494 . 7 1 1 A 47 47 LYS CA C 659 59.355 58.806 0.549 1
1 495 . 7 1 1 A 47 47 LYS CB C 659 32.369 32.944 -0.575 1
1 499 . 7 1 1 A 48 48 GLU H H 660 7.927 8.251 -0.324 1
1 500 . 7 1 1 A 48 48 GLU HA H 660 3.780 4.038 -0.258 1
1 505 . 7 1 1 A 48 48 GLU CA C 660 58.505 59.287 -0.782 1
1 506 . 7 1 1 A 48 48 GLU CB C 660 31.249 29.243 2.006 1
1 508 . 7 1 1 A 49 49 ARG H H 661 8.427 7.977 0.450 1
1 509 . 7 1 1 A 49 49 ARG HA H 661 3.792 3.910 -0.118 1
1 515 . 7 1 1 A 49 49 ARG CA C 661 59.626 58.925 0.701 1
1 516 . 7 1 1 A 49 49 ARG CB C 661 31.249 29.875 1.374 1
1 519 . 7 1 1 A 50 50 LYS H H 662 6.770 7.967 -1.197 1
1 520 . 7 1 1 A 50 50 LYS HA H 662 3.416 3.894 -0.478 1
1 529 . 7 1 1 A 50 50 LYS CA C 662 58.505 59.400 -0.895 1
1 530 . 7 1 1 A 50 50 LYS CB C 662 31.996 32.201 -0.205 1
1 534 . 7 1 1 A 51 51 GLN H H 663 7.507 7.936 -0.429 1
1 535 . 7 1 1 A 51 51 GLN HA H 663 4.006 4.105 -0.099 1
1 541 . 7 1 1 A 51 51 GLN CA C 663 59.252 58.615 0.637 1
1 542 . 7 1 1 A 51 51 GLN CB C 663 28.822 28.375 0.447 1
1 544 . 7 1 1 A 52 52 VAL H H 664 8.038 7.838 0.200 1
1 545 . 7 1 1 A 52 52 VAL HA H 664 3.640 3.778 -0.138 1
1 553 . 7 1 1 A 52 52 VAL CA C 664 66.533 66.083 0.450 1
1 554 . 7 1 1 A 52 52 VAL CB C 664 31.623 31.743 -0.120 1
1 557 . 7 1 1 A 53 53 PHE H H 665 8.756 8.018 0.738 1
1 558 . 7 1 1 A 53 53 PHE HA H 665 4.196 4.366 -0.170 1
1 564 . 7 1 1 A 53 53 PHE CA C 665 62.613 61.556 1.057 1
1 565 . 7 1 1 A 53 53 PHE CB C 665 40.397 39.493 0.904 1
1 568 . 7 1 1 A 54 54 ASP H H 666 9.000 8.256 0.744 1
1 569 . 7 1 1 A 54 54 ASP HA H 666 4.264 4.079 0.185 1
1 572 . 7 1 1 A 54 54 ASP CA C 666 57.572 57.471 0.101 1
1 573 . 7 1 1 A 54 54 ASP CB C 666 39.837 41.639 -1.802 1
1 574 . 7 1 1 A 55 55 GLN H H 667 7.619 8.008 -0.389 1
1 575 . 7 1 1 A 55 55 GLN HA H 667 4.027 4.095 -0.068 1
1 581 . 7 1 1 A 55 55 GLN CA C 667 58.692 58.630 0.062 1
1 582 . 7 1 1 A 55 55 GLN CB C 667 28.822 28.971 -0.149 1
1 584 . 7 1 1 A 56 56 TYR H H 668 8.525 7.990 0.535 1
1 585 . 7 1 1 A 56 56 TYR HA H 668 4.095 4.217 -0.122 1
1 592 . 7 1 1 A 56 56 TYR CA C 668 61.306 61.288 0.018 1
1 593 . 7 1 1 A 56 56 TYR CB C 668 39.277 38.689 0.588 1
1 596 . 7 1 1 A 57 57 VAL H H 669 8.518 8.178 0.340 1
1 597 . 7 1 1 A 57 57 VAL HA H 669 3.076 3.633 -0.557 1
1 605 . 7 1 1 A 57 57 VAL CA C 669 66.720 66.202 0.518 1
1 606 . 7 1 1 A 57 57 VAL CB C 669 31.788 31.082 0.706 1
1 609 . 7 1 1 A 58 58 LYS H H 670 7.401 7.594 -0.193 1
1 610 . 7 1 1 A 58 58 LYS HA H 670 3.991 4.031 -0.040 1
1 616 . 7 1 1 A 58 58 LYS CA C 670 58.505 59.376 -0.871 1
1 617 . 7 1 1 A 58 58 LYS CB C 670 32.929 32.242 0.687 1
1 621 . 7 1 1 A 59 59 THR H H 671 7.976 7.523 0.453 1
1 622 . 7 1 1 A 59 59 THR HA H 671 3.960 3.919 0.041 1
1 627 . 7 1 1 A 59 59 THR CA C 671 65.599 65.275 0.324 1
1 628 . 7 1 1 A 59 59 THR CB C 671 69.327 68.959 0.368 1
1 630 . 7 1 1 A 60 60 ARG H H 672 8.262 8.091 0.171 1
1 631 . 7 1 1 A 60 60 ARG HA H 672 3.889 3.770 0.119 1
1 639 . 7 1 1 A 60 60 ARG CA C 672 57.572 59.164 -1.592 1
1 640 . 7 1 1 A 60 60 ARG CB C 672 29.584 29.548 0.036 1
1 643 . 7 1 1 A 61 61 ALA H H 673 7.955 7.624 0.331 1
1 644 . 7 1 1 A 61 61 ALA HA H 673 3.816 4.101 -0.285 1
1 648 . 7 1 1 A 61 61 ALA CA C 673 55.332 55.031 0.301 1
1 649 . 7 1 1 A 61 61 ALA CB C 673 18.566 18.247 0.319 1
1 650 . 7 1 1 A 62 62 GLU H H 674 7.286 7.777 -0.491 1
1 651 . 7 1 1 A 62 62 GLU HA H 674 4.029 4.001 0.028 1
1 656 . 7 1 1 A 62 62 GLU CA C 674 58.692 59.679 -0.987 1
1 657 . 7 1 1 A 62 62 GLU CB C 674 29.575 29.274 0.301 1
1 659 . 7 1 1 A 63 63 GLU H H 675 7.851 7.511 0.340 1
1 660 . 7 1 1 A 63 63 GLU HA H 675 4.031 4.181 -0.150 1
1 664 . 7 1 1 A 63 63 GLU CA C 675 58.879 59.042 -0.163 1
1 665 . 7 1 1 A 63 63 GLU CB C 675 30.316 29.970 0.346 1
1 667 . 7 1 1 A 64 64 GLU H H 676 8.266 8.813 -0.547 1
1 668 . 7 1 1 A 64 64 GLU HA H 676 4.026 4.198 -0.172 1
1 673 . 7 1 1 A 64 64 GLU CA C 676 58.879 58.315 0.564 1
1 674 . 7 1 1 A 64 64 GLU CB C 676 30.135 28.152 1.983 1
1 676 . 7 1 1 A 65 65 ARG H H 677 7.906 7.985 -0.079 1
1 677 . 7 1 1 A 65 65 ARG HA H 677 4.093 4.286 -0.193 1
1 683 . 7 1 1 A 65 65 ARG CA C 677 58.132 58.112 0.020 1
1 684 . 7 1 1 A 65 65 ARG CB C 677 30.695 30.462 0.233 1
1 687 . 7 1 1 A 66 66 ARG H H 678 7.801 7.868 -0.067 1
1 688 . 7 1 1 A 66 66 ARG HA H 678 4.094 4.106 -0.012 1
1 693 . 7 1 1 A 66 66 ARG CA C 678 57.759 58.397 -0.638 1
1 694 . 7 1 1 A 66 66 ARG CB C 678 31.063 29.498 1.565 1
1 697 . 7 1 1 A 67 67 GLU H H 679 8.092 7.603 0.489 1
1 698 . 7 1 1 A 67 67 GLU HA H 679 4.110 4.458 -0.348 1
1 702 . 7 1 1 A 67 67 GLU CA C 679 57.385 57.672 -0.287 1
1 703 . 7 1 1 A 67 67 GLU CB C 679 30.135 30.885 -0.750 1
1 705 . 7 1 1 A 68 68 LYS H H 680 8.075 8.182 -0.107 1
1 706 . 7 1 1 A 68 68 LYS HA H 680 4.198 4.434 -0.236 1
1 711 . 7 1 1 A 68 68 LYS CA C 680 56.825 54.913 1.912 1
1 712 . 7 1 1 A 68 68 LYS CB C 680 32.929 32.910 0.019 1
1 715 . 7 1 1 A 69 69 LYS H H 681 8.130 8.485 -0.355 1
1 716 . 7 1 1 A 69 69 LYS HA H 681 4.222 3.884 0.338 1
1 721 . 7 1 1 A 69 69 LYS CA C 681 56.639 57.342 -0.703 1
1 722 . 7 1 1 A 69 69 LYS CB C 681 33.303 32.431 0.872 1
1 725 . 7 1 1 A 70 70 ASN H H 682 8.334 9.183 -0.849 1
1 726 . 7 1 1 A 70 70 ASN HA H 682 4.638 4.201 0.437 1
1 730 . 7 1 1 A 70 70 ASN CA C 682 53.465 53.767 -0.302 1
1 731 . 7 1 1 A 70 70 ASN CB C 682 39.277 37.441 1.836 1
2 1 . 1 1 1 A 2 2 ALA HA H 614 4.300 3.999 0.301 1
2 5 . 1 1 1 A 3 3 MET H H 615 8.561 8.454 0.107 1
2 6 . 1 1 1 A 3 3 MET HA H 615 4.395 4.300 0.095 1
2 8 . 1 1 1 A 3 3 MET N N 615 120.395 108.008 12.387 1
2 9 . 1 1 1 A 4 4 GLY H H 616 8.499 8.143 0.356 1
2 10 . 1 1 1 A 4 4 GLY HA2 H 616 3.972 3.973 -0.001 1
2 11 . 1 1 1 A 4 4 GLY N N 616 110.000 111.466 -1.466 1
2 12 . 1 1 1 A 5 5 SER H H 617 8.467 8.355 0.112 1
2 13 . 1 1 1 A 5 5 SER HA H 617 4.362 4.585 -0.223 1
2 16 . 1 1 1 A 5 5 SER N N 617 117.949 118.441 -0.492 1
2 17 . 1 1 1 A 6 6 LEU H H 618 8.786 8.068 0.718 1
2 18 . 1 1 1 A 6 6 LEU HA H 618 3.944 4.181 -0.237 1
2 27 . 1 1 1 A 6 6 LEU N N 618 124.471 121.735 2.736 1
2 28 . 1 1 1 A 7 7 GLU H H 619 8.702 8.507 0.195 1
2 29 . 1 1 1 A 7 7 GLU HA H 619 3.839 3.990 -0.151 1
2 33 . 1 1 1 A 7 7 GLU N N 619 118.153 118.961 -0.808 1
2 34 . 1 1 1 A 8 8 ALA H H 620 7.933 8.220 -0.287 1
2 35 . 1 1 1 A 8 8 ALA HA H 620 4.131 4.111 0.020 1
2 39 . 1 1 1 A 8 8 ALA N N 620 123.248 122.587 0.661 1
2 40 . 1 1 1 A 9 9 ARG H H 621 8.371 7.880 0.491 1
2 41 . 1 1 1 A 9 9 ARG HA H 621 4.047 4.142 -0.095 1
2 49 . 1 1 1 A 9 9 ARG N N 621 120.395 119.119 1.276 1
2 51 . 1 1 1 A 10 10 MET H H 622 8.967 8.399 0.568 1
2 52 . 1 1 1 A 10 10 MET HA H 622 3.954 4.371 -0.417 1
2 56 . 1 1 1 A 10 10 MET N N 622 118.764 119.111 -0.347 1
2 57 . 1 1 1 A 11 11 LYS H H 623 7.750 7.844 -0.094 1
2 58 . 1 1 1 A 11 11 LYS HA H 623 4.009 4.229 -0.220 1
2 61 . 1 1 1 A 11 11 LYS N N 623 120.802 120.061 0.741 1
2 62 . 1 1 1 A 12 12 GLN H H 624 7.812 8.385 -0.573 1
2 63 . 1 1 1 A 12 12 GLN HA H 624 4.113 4.109 0.004 1
2 70 . 1 1 1 A 12 12 GLN N N 624 117.541 118.798 -1.257 1
2 72 . 1 1 1 A 13 13 PHE H H 625 8.268 8.072 0.196 1
2 73 . 1 1 1 A 13 13 PHE HA H 625 3.813 4.132 -0.319 1
2 81 . 1 1 1 A 13 13 PHE N N 625 120.395 122.829 -2.434 1
2 82 . 1 1 1 A 14 14 LYS H H 626 8.510 8.045 0.465 1
2 83 . 1 1 1 A 14 14 LYS HA H 626 3.637 3.988 -0.351 1
2 89 . 1 1 1 A 14 14 LYS N N 626 120.395 119.119 1.276 1
2 90 . 1 1 1 A 15 15 ASP H H 627 8.594 8.370 0.224 1
2 91 . 1 1 1 A 15 15 ASP HA H 627 4.299 4.280 0.019 1
2 94 . 1 1 1 A 15 15 ASP N N 627 120.851 119.556 1.295 1
2 95 . 1 1 1 A 16 16 MET H H 628 7.744 7.770 -0.026 1
2 96 . 1 1 1 A 16 16 MET HA H 628 3.651 3.973 -0.322 1
2 104 . 1 1 1 A 16 16 MET N N 628 121.210 118.635 2.575 1
2 105 . 1 1 1 A 17 17 LEU H H 629 7.527 7.918 -0.391 1
2 106 . 1 1 1 A 17 17 LEU HA H 629 3.334 3.721 -0.387 1
2 115 . 1 1 1 A 17 17 LEU N N 629 118.153 119.152 -0.999 1
2 116 . 1 1 1 A 18 18 LEU H H 630 6.955 7.596 -0.641 1
2 117 . 1 1 1 A 18 18 LEU HA H 630 4.358 4.228 0.130 1
2 126 . 1 1 1 A 18 18 LEU N N 630 117.083 119.711 -2.628 1
2 127 . 1 1 1 A 19 19 GLU H H 631 8.530 7.959 0.571 1
2 128 . 1 1 1 A 19 19 GLU HA H 631 3.868 4.131 -0.263 1
2 133 . 1 1 1 A 19 19 GLU N N 631 121.414 118.125 3.289 1
2 134 . 1 1 1 A 20 20 ARG H H 632 8.374 7.720 0.654 1
2 135 . 1 1 1 A 20 20 ARG HA H 632 4.278 4.330 -0.052 1
2 142 . 1 1 1 A 20 20 ARG N N 632 113.465 116.824 -3.359 1
2 144 . 1 1 1 A 21 21 GLY H H 633 7.675 7.502 0.173 1
2 145 . 1 1 1 A 21 21 GLY HA2 H 633 3.837 3.924 -0.087 1
2 146 . 1 1 1 A 21 21 GLY N N 633 107.554 108.189 -0.635 1
2 147 . 1 1 1 A 22 22 VAL H H 634 8.096 7.973 0.123 1
2 148 . 1 1 1 A 22 22 VAL HA H 634 3.806 4.466 -0.660 1
2 156 . 1 1 1 A 22 22 VAL N N 634 121.414 119.627 1.787 1
2 157 . 1 1 1 A 23 23 SER H H 635 9.014 8.379 0.635 1
2 158 . 1 1 1 A 23 23 SER HA H 635 4.494 4.014 0.480 1
2 161 . 1 1 1 A 23 23 SER N N 635 126.509 120.917 5.592 1
2 162 . 1 1 1 A 24 24 ALA H H 636 8.919 8.344 0.575 1
2 163 . 1 1 1 A 24 24 ALA HA H 636 4.000 4.174 -0.174 1
2 167 . 1 1 1 A 24 24 ALA N N 636 126.713 130.299 -3.586 1
2 168 . 1 1 1 A 25 25 PHE H H 637 8.120 6.907 1.213 1
2 169 . 1 1 1 A 25 25 PHE HA H 637 4.734 4.819 -0.085 1
2 176 . 1 1 1 A 25 25 PHE N N 637 117.541 114.808 2.733 1
2 177 . 1 1 1 A 26 26 SER H H 638 7.795 8.160 -0.365 1
2 178 . 1 1 1 A 26 26 SER HA H 638 4.829 5.130 -0.301 1
2 181 . 1 1 1 A 26 26 SER N N 638 117.133 116.012 1.121 1
2 182 . 1 1 1 A 27 27 THR H H 639 8.880 8.539 0.341 1
2 183 . 1 1 1 A 27 27 THR HA H 639 4.935 4.721 0.214 1
2 188 . 1 1 1 A 27 27 THR N N 639 111.426 115.976 -4.550 1
2 189 . 1 1 1 A 28 28 TRP H H 640 9.317 9.233 0.084 1
2 190 . 1 1 1 A 28 28 TRP HA H 640 3.558 3.997 -0.439 1
2 197 . 1 1 1 A 28 28 TRP N N 640 123.452 130.244 -6.792 1
2 199 . 1 1 1 A 29 29 GLU H H 641 8.823 8.168 0.655 1
2 200 . 1 1 1 A 29 29 GLU HA H 641 3.576 3.875 -0.299 1
2 203 . 1 1 1 A 29 29 GLU N N 641 113.668 119.478 -5.810 1
2 204 . 1 1 1 A 30 30 LYS H H 642 7.661 7.476 0.185 1
2 205 . 1 1 1 A 30 30 LYS HA H 642 4.125 4.060 0.065 1
2 211 . 1 1 1 A 30 30 LYS N N 642 118.560 118.863 -0.303 1
2 212 . 1 1 1 A 31 31 GLU H H 643 7.735 7.769 -0.034 1
2 213 . 1 1 1 A 31 31 GLU HA H 643 4.049 3.809 0.240 1
2 218 . 1 1 1 A 31 31 GLU N N 643 115.503 120.032 -4.529 1
2 219 . 1 1 1 A 32 32 LEU H H 644 7.210 7.179 0.031 1
2 220 . 1 1 1 A 32 32 LEU HA H 644 3.144 3.286 -0.142 1
2 230 . 1 1 1 A 32 32 LEU N N 644 121.210 121.448 -0.238 1
2 231 . 1 1 1 A 33 33 HIS H H 645 8.465 7.902 0.563 1
2 232 . 1 1 1 A 33 33 HIS HA H 645 4.011 4.305 -0.294 1
2 236 . 1 1 1 A 33 33 HIS N N 645 114.280 117.121 -2.841 1
2 237 . 1 1 1 A 34 34 LYS H H 646 7.426 7.020 0.406 1
2 238 . 1 1 1 A 34 34 LYS HA H 646 3.808 3.756 0.052 1
2 244 . 1 1 1 A 34 34 LYS N N 646 117.541 120.970 -3.429 1
2 245 . 1 1 1 A 35 35 ILE H H 647 7.152 7.746 -0.594 1
2 246 . 1 1 1 A 35 35 ILE HA H 647 4.159 3.957 0.202 1
2 254 . 1 1 1 A 35 35 ILE N N 647 132.013 116.147 15.866 1
2 255 . 1 1 1 A 36 36 VAL H H 648 6.893 8.221 -1.328 1
2 256 . 1 1 1 A 36 36 VAL HA H 648 2.232 3.608 -1.376 1
2 264 . 1 1 1 A 36 36 VAL N N 648 118.886 118.828 0.058 1
2 265 . 1 1 1 A 37 37 PHE H H 649 7.244 7.731 -0.487 1
2 266 . 1 1 1 A 37 37 PHE HA H 649 4.629 4.343 0.286 1
2 271 . 1 1 1 A 37 37 PHE N N 649 115.707 120.267 -4.560 1
2 272 . 1 1 1 A 38 38 ASP H H 650 7.523 8.175 -0.652 1
2 273 . 1 1 1 A 38 38 ASP HA H 650 4.699 5.027 -0.328 1
2 276 . 1 1 1 A 38 38 ASP N N 650 127.325 119.797 7.528 1
2 277 . 1 1 1 A 39 39 PRO HA H 651 4.268 4.537 -0.269 1
2 283 . 1 1 1 A 40 40 ARG H H 652 9.450 8.809 0.641 1
2 284 . 1 1 1 A 40 40 ARG HA H 652 3.979 4.236 -0.257 1
2 292 . 1 1 1 A 40 40 ARG N N 652 118.153 117.098 1.055 1
2 294 . 1 1 1 A 41 41 TYR H H 653 8.314 8.166 0.148 1
2 295 . 1 1 1 A 41 41 TYR HA H 653 4.158 3.986 0.172 1
2 300 . 1 1 1 A 41 41 TYR N N 653 121.006 121.197 -0.191 1
2 301 . 1 1 1 A 42 42 LEU H H 654 6.988 7.509 -0.521 1
2 302 . 1 1 1 A 42 42 LEU HA H 654 4.092 4.452 -0.360 1
2 311 . 1 1 1 A 42 42 LEU N N 654 111.630 118.937 -7.307 1
2 312 . 1 1 1 A 43 43 LEU H H 655 7.483 8.073 -0.590 1
2 313 . 1 1 1 A 43 43 LEU HA H 655 4.044 4.226 -0.182 1
2 323 . 1 1 1 A 43 43 LEU N N 655 116.726 119.476 -2.750 1
2 324 . 1 1 1 A 44 44 LEU H H 656 6.517 7.743 -1.226 1
2 325 . 1 1 1 A 44 44 LEU HA H 656 4.569 4.132 0.437 1
2 335 . 1 1 1 A 44 44 LEU N N 656 114.076 118.627 -4.551 1
2 336 . 1 1 1 A 45 45 ASN H H 657 8.807 8.857 -0.050 1
2 337 . 1 1 1 A 45 45 ASN HA H 657 4.677 4.840 -0.163 1
2 342 . 1 1 1 A 45 45 ASN N N 657 119.783 120.476 -0.693 1
2 347 . 1 1 1 A 47 47 LYS H H 659 7.926 7.869 0.057 1
2 348 . 1 1 1 A 47 47 LYS HA H 659 3.801 4.131 -0.330 1
2 353 . 1 1 1 A 47 47 LYS N N 659 118.599 117.382 1.217 1
2 354 . 1 1 1 A 48 48 GLU H H 660 7.923 8.291 -0.368 1
2 355 . 1 1 1 A 48 48 GLU HA H 660 3.777 4.032 -0.255 1
2 360 . 1 1 1 A 48 48 GLU N N 660 121.210 118.797 2.413 1
2 361 . 1 1 1 A 49 49 ARG H H 661 8.416 8.227 0.189 1
2 362 . 1 1 1 A 49 49 ARG HA H 661 3.778 3.790 -0.012 1
2 368 . 1 1 1 A 49 49 ARG N N 661 117.337 121.275 -3.938 1
2 370 . 1 1 1 A 50 50 LYS H H 662 6.760 7.982 -1.222 1
2 371 . 1 1 1 A 50 50 LYS HA H 662 3.431 3.814 -0.383 1
2 377 . 1 1 1 A 50 50 LYS N N 662 116.592 119.358 -2.766 1
2 378 . 1 1 1 A 51 51 GLN H H 663 7.503 7.714 -0.211 1
2 379 . 1 1 1 A 51 51 GLN HA H 663 4.010 4.078 -0.068 1
2 385 . 1 1 1 A 51 51 GLN N N 663 118.560 117.346 1.214 1
2 387 . 1 1 1 A 52 52 VAL H H 664 8.035 7.789 0.246 1
2 388 . 1 1 1 A 52 52 VAL HA H 664 3.653 3.756 -0.103 1
2 396 . 1 1 1 A 52 52 VAL N N 664 119.172 121.363 -2.191 1
2 397 . 1 1 1 A 53 53 PHE H H 665 8.740 7.914 0.826 1
2 398 . 1 1 1 A 53 53 PHE HA H 665 4.217 4.401 -0.184 1
2 403 . 1 1 1 A 53 53 PHE N N 665 122.433 120.775 1.658 1
2 404 . 1 1 1 A 54 54 ASP H H 666 9.001 8.188 0.813 1
2 405 . 1 1 1 A 54 54 ASP HA H 666 4.262 4.070 0.192 1
2 408 . 1 1 1 A 54 54 ASP N N 666 119.172 119.522 -0.350 1
2 409 . 1 1 1 A 55 55 GLN H H 667 7.616 7.913 -0.297 1
2 410 . 1 1 1 A 55 55 GLN HA H 667 4.026 4.125 -0.099 1
2 416 . 1 1 1 A 55 55 GLN N N 667 119.769 118.158 1.611 1
2 418 . 1 1 1 A 56 56 TYR H H 668 8.520 7.898 0.622 1
2 419 . 1 1 1 A 56 56 TYR HA H 668 4.105 4.197 -0.092 1
2 426 . 1 1 1 A 56 56 TYR N N 668 123.860 123.360 0.500 1
2 427 . 1 1 1 A 57 57 VAL H H 669 8.517 8.173 0.344 1
2 428 . 1 1 1 A 57 57 VAL HA H 669 3.085 3.557 -0.472 1
2 436 . 1 1 1 A 57 57 VAL N N 669 118.153 118.966 -0.813 1
2 437 . 1 1 1 A 58 58 LYS H H 670 7.393 7.637 -0.244 1
2 438 . 1 1 1 A 58 58 LYS HA H 670 4.022 4.031 -0.009 1
2 444 . 1 1 1 A 58 58 LYS N N 670 118.968 121.325 -2.357 1
2 445 . 1 1 1 A 59 59 THR H H 671 7.971 7.545 0.426 1
2 446 . 1 1 1 A 59 59 THR HA H 671 3.965 3.947 0.018 1
2 451 . 1 1 1 A 59 59 THR N N 671 113.668 113.921 -0.253 1
2 452 . 1 1 1 A 60 60 ARG H H 672 8.248 8.029 0.219 1
2 453 . 1 1 1 A 60 60 ARG HA H 672 3.886 3.780 0.106 1
2 461 . 1 1 1 A 60 60 ARG N N 672 122.229 120.482 1.747 1
2 463 . 1 1 1 A 61 61 ALA H H 673 7.940 7.656 0.284 1
2 464 . 1 1 1 A 61 61 ALA HA H 673 3.826 4.093 -0.267 1
2 468 . 1 1 1 A 61 61 ALA N N 673 121.414 120.849 0.565 1
2 469 . 1 1 1 A 62 62 GLU H H 674 7.610 7.750 -0.140 1
2 470 . 1 1 1 A 62 62 GLU HA H 674 4.034 3.993 0.041 1
2 475 . 1 1 1 A 62 62 GLU N N 674 116.930 117.885 -0.955 1
2 476 . 1 1 1 A 63 63 GLU H H 675 7.844 7.478 0.366 1
2 477 . 1 1 1 A 63 63 GLU HA H 675 3.996 4.177 -0.181 1
2 481 . 1 1 1 A 63 63 GLU N N 675 119.783 119.620 0.163 1
2 482 . 1 1 1 A 64 64 GLU H H 676 8.262 8.674 -0.412 1
2 483 . 1 1 1 A 64 64 GLU HA H 676 4.026 4.341 -0.315 1
2 488 . 1 1 1 A 64 64 GLU N N 676 119.579 118.539 1.040 1
2 489 . 1 1 1 A 65 65 ARG H H 677 7.902 7.886 0.016 1
2 490 . 1 1 1 A 65 65 ARG HA H 677 4.104 4.195 -0.091 1
2 496 . 1 1 1 A 65 65 ARG N N 677 118.968 120.620 -1.652 1
2 497 . 1 1 1 A 66 66 ARG H H 678 7.801 7.953 -0.152 1
2 498 . 1 1 1 A 66 66 ARG HA H 678 4.099 4.054 0.045 1
2 503 . 1 1 1 A 66 66 ARG N N 678 119.783 118.078 1.705 1
2 504 . 1 1 1 A 67 67 GLU H H 679 8.097 7.629 0.468 1
2 505 . 1 1 1 A 67 67 GLU HA H 679 4.118 4.300 -0.182 1
2 509 . 1 1 1 A 67 67 GLU N N 679 120.395 118.673 1.722 1
2 510 . 1 1 1 A 68 68 LYS H H 680 8.060 7.592 0.468 1
2 511 . 1 1 1 A 68 68 LYS HA H 680 4.181 4.562 -0.381 1
2 515 . 1 1 1 A 68 68 LYS N N 680 121.210 116.476 4.734 1
2 516 . 1 1 1 A 69 69 LYS H H 681 8.129 8.019 0.110 1
2 517 . 1 1 1 A 69 69 LYS HA H 681 4.208 3.945 0.263 1
2 521 . 1 1 1 A 69 69 LYS N N 681 121.821 116.180 5.641 1
2 522 . 1 1 1 A 70 70 ASN H H 682 8.333 8.574 -0.241 1
2 523 . 1 1 1 A 70 70 ASN HA H 682 4.641 4.630 0.011 1
2 528 . 1 1 1 A 70 70 ASN N N 682 119.783 116.092 3.691 1
2 1 . 2 1 1 A 2 2 ALA HA H 614 4.300 4.363 -0.063 1
2 5 . 2 1 1 A 3 3 MET H H 615 8.561 7.789 0.772 1
2 6 . 2 1 1 A 3 3 MET HA H 615 4.395 4.872 -0.477 1
2 8 . 2 1 1 A 3 3 MET N N 615 120.395 116.802 3.593 1
2 9 . 2 1 1 A 4 4 GLY H H 616 8.499 8.810 -0.311 1
2 10 . 2 1 1 A 4 4 GLY HA2 H 616 3.972 4.190 -0.218 1
2 11 . 2 1 1 A 4 4 GLY N N 616 110.000 114.213 -4.213 1
2 12 . 2 1 1 A 5 5 SER H H 617 8.467 8.204 0.263 1
2 13 . 2 1 1 A 5 5 SER HA H 617 4.362 4.103 0.259 1
2 16 . 2 1 1 A 5 5 SER N N 617 117.949 111.471 6.478 1
2 17 . 2 1 1 A 6 6 LEU H H 618 8.786 8.357 0.429 1
2 18 . 2 1 1 A 6 6 LEU HA H 618 3.944 4.149 -0.205 1
2 27 . 2 1 1 A 6 6 LEU N N 618 124.471 121.688 2.783 1
2 28 . 2 1 1 A 7 7 GLU H H 619 8.702 8.284 0.418 1
2 29 . 2 1 1 A 7 7 GLU HA H 619 3.839 3.979 -0.140 1
2 33 . 2 1 1 A 7 7 GLU N N 619 118.153 118.769 -0.616 1
2 34 . 2 1 1 A 8 8 ALA H H 620 7.933 8.139 -0.206 1
2 35 . 2 1 1 A 8 8 ALA HA H 620 4.131 4.121 0.010 1
2 39 . 2 1 1 A 8 8 ALA N N 620 123.248 121.969 1.279 1
2 40 . 2 1 1 A 9 9 ARG H H 621 8.371 7.922 0.449 1
2 41 . 2 1 1 A 9 9 ARG HA H 621 4.047 4.149 -0.102 1
2 49 . 2 1 1 A 9 9 ARG N N 621 120.395 119.212 1.183 1
2 51 . 2 1 1 A 10 10 MET H H 622 8.967 8.459 0.508 1
2 52 . 2 1 1 A 10 10 MET HA H 622 3.954 4.451 -0.497 1
2 56 . 2 1 1 A 10 10 MET N N 622 118.764 117.801 0.963 1
2 57 . 2 1 1 A 11 11 LYS H H 623 7.750 7.967 -0.217 1
2 58 . 2 1 1 A 11 11 LYS HA H 623 4.009 4.250 -0.241 1
2 61 . 2 1 1 A 11 11 LYS N N 623 120.802 120.870 -0.068 1
2 62 . 2 1 1 A 12 12 GLN H H 624 7.812 8.375 -0.563 1
2 63 . 2 1 1 A 12 12 GLN HA H 624 4.113 4.140 -0.027 1
2 70 . 2 1 1 A 12 12 GLN N N 624 117.541 118.553 -1.012 1
2 72 . 2 1 1 A 13 13 PHE H H 625 8.268 8.067 0.201 1
2 73 . 2 1 1 A 13 13 PHE HA H 625 3.813 4.155 -0.342 1
2 81 . 2 1 1 A 13 13 PHE N N 625 120.395 122.699 -2.304 1
2 82 . 2 1 1 A 14 14 LYS H H 626 8.510 8.085 0.425 1
2 83 . 2 1 1 A 14 14 LYS HA H 626 3.637 3.998 -0.361 1
2 89 . 2 1 1 A 14 14 LYS N N 626 120.395 118.956 1.439 1
2 90 . 2 1 1 A 15 15 ASP H H 627 8.594 8.365 0.229 1
2 91 . 2 1 1 A 15 15 ASP HA H 627 4.299 4.301 -0.002 1
2 94 . 2 1 1 A 15 15 ASP N N 627 120.851 119.500 1.351 1
2 95 . 2 1 1 A 16 16 MET H H 628 7.744 7.719 0.025 1
2 96 . 2 1 1 A 16 16 MET HA H 628 3.651 4.046 -0.395 1
2 104 . 2 1 1 A 16 16 MET N N 628 121.210 118.687 2.523 1
2 105 . 2 1 1 A 17 17 LEU H H 629 7.527 7.950 -0.423 1
2 106 . 2 1 1 A 17 17 LEU HA H 629 3.334 3.705 -0.371 1
2 115 . 2 1 1 A 17 17 LEU N N 629 118.153 118.628 -0.475 1
2 116 . 2 1 1 A 18 18 LEU H H 630 6.955 7.506 -0.551 1
2 117 . 2 1 1 A 18 18 LEU HA H 630 4.358 4.240 0.118 1
2 126 . 2 1 1 A 18 18 LEU N N 630 117.083 120.060 -2.977 1
2 127 . 2 1 1 A 19 19 GLU H H 631 8.530 8.086 0.444 1
2 128 . 2 1 1 A 19 19 GLU HA H 631 3.868 4.041 -0.173 1
2 133 . 2 1 1 A 19 19 GLU N N 631 121.414 119.704 1.710 1
2 134 . 2 1 1 A 20 20 ARG H H 632 8.374 7.491 0.883 1
2 135 . 2 1 1 A 20 20 ARG HA H 632 4.278 4.321 -0.043 1
2 142 . 2 1 1 A 20 20 ARG N N 632 113.465 115.169 -1.704 1
2 144 . 2 1 1 A 21 21 GLY H H 633 7.675 7.827 -0.152 1
2 145 . 2 1 1 A 21 21 GLY HA2 H 633 3.837 3.893 -0.056 1
2 146 . 2 1 1 A 21 21 GLY N N 633 107.554 109.364 -1.810 1
2 147 . 2 1 1 A 22 22 VAL H H 634 8.096 8.277 -0.181 1
2 148 . 2 1 1 A 22 22 VAL HA H 634 3.806 4.480 -0.674 1
2 156 . 2 1 1 A 22 22 VAL N N 634 121.414 120.923 0.491 1
2 157 . 2 1 1 A 23 23 SER H H 635 9.014 8.088 0.926 1
2 158 . 2 1 1 A 23 23 SER HA H 635 4.494 3.977 0.517 1
2 161 . 2 1 1 A 23 23 SER N N 635 126.509 120.410 6.099 1
2 162 . 2 1 1 A 24 24 ALA H H 636 8.919 8.310 0.609 1
2 163 . 2 1 1 A 24 24 ALA HA H 636 4.000 4.178 -0.178 1
2 167 . 2 1 1 A 24 24 ALA N N 636 126.713 130.736 -4.023 1
2 168 . 2 1 1 A 25 25 PHE H H 637 8.120 6.784 1.336 1
2 169 . 2 1 1 A 25 25 PHE HA H 637 4.734 4.812 -0.078 1
2 176 . 2 1 1 A 25 25 PHE N N 637 117.541 114.936 2.605 1
2 177 . 2 1 1 A 26 26 SER H H 638 7.795 8.256 -0.461 1
2 178 . 2 1 1 A 26 26 SER HA H 638 4.829 5.011 -0.182 1
2 181 . 2 1 1 A 26 26 SER N N 638 117.133 114.342 2.791 1
2 182 . 2 1 1 A 27 27 THR H H 639 8.880 8.429 0.451 1
2 183 . 2 1 1 A 27 27 THR HA H 639 4.935 4.858 0.077 1
2 188 . 2 1 1 A 27 27 THR N N 639 111.426 114.819 -3.393 1
2 189 . 2 1 1 A 28 28 TRP H H 640 9.317 9.255 0.062 1
2 190 . 2 1 1 A 28 28 TRP HA H 640 3.558 3.941 -0.383 1
2 197 . 2 1 1 A 28 28 TRP N N 640 123.452 130.119 -6.667 1
2 199 . 2 1 1 A 29 29 GLU H H 641 8.823 7.640 1.183 1
2 200 . 2 1 1 A 29 29 GLU HA H 641 3.576 4.077 -0.501 1
2 203 . 2 1 1 A 29 29 GLU N N 641 113.668 118.866 -5.198 1
2 204 . 2 1 1 A 30 30 LYS H H 642 7.661 7.722 -0.061 1
2 205 . 2 1 1 A 30 30 LYS HA H 642 4.125 4.000 0.125 1
2 211 . 2 1 1 A 30 30 LYS N N 642 118.560 119.605 -1.045 1
2 212 . 2 1 1 A 31 31 GLU H H 643 7.735 7.779 -0.044 1
2 213 . 2 1 1 A 31 31 GLU HA H 643 4.049 3.829 0.220 1
2 218 . 2 1 1 A 31 31 GLU N N 643 115.503 119.871 -4.368 1
2 219 . 2 1 1 A 32 32 LEU H H 644 7.210 7.431 -0.221 1
2 220 . 2 1 1 A 32 32 LEU HA H 644 3.144 3.272 -0.128 1
2 230 . 2 1 1 A 32 32 LEU N N 644 121.210 121.645 -0.435 1
2 231 . 2 1 1 A 33 33 HIS H H 645 8.465 7.867 0.598 1
2 232 . 2 1 1 A 33 33 HIS HA H 645 4.011 4.198 -0.187 1
2 236 . 2 1 1 A 33 33 HIS N N 645 114.280 116.912 -2.632 1
2 237 . 2 1 1 A 34 34 LYS H H 646 7.426 6.968 0.458 1
2 238 . 2 1 1 A 34 34 LYS HA H 646 3.808 3.781 0.027 1
2 244 . 2 1 1 A 34 34 LYS N N 646 117.541 121.035 -3.494 1
2 245 . 2 1 1 A 35 35 ILE H H 647 7.152 7.443 -0.291 1
2 246 . 2 1 1 A 35 35 ILE HA H 647 4.159 3.868 0.291 1
2 254 . 2 1 1 A 35 35 ILE N N 647 132.013 116.267 15.746 1
2 255 . 2 1 1 A 36 36 VAL H H 648 6.893 8.106 -1.213 1
2 256 . 2 1 1 A 36 36 VAL HA H 648 2.232 3.726 -1.494 1
2 264 . 2 1 1 A 36 36 VAL N N 648 118.886 118.631 0.255 1
2 265 . 2 1 1 A 37 37 PHE H H 649 7.244 7.541 -0.297 1
2 266 . 2 1 1 A 37 37 PHE HA H 649 4.629 4.197 0.432 1
2 271 . 2 1 1 A 37 37 PHE N N 649 115.707 123.212 -7.505 1
2 272 . 2 1 1 A 38 38 ASP H H 650 7.523 8.042 -0.519 1
2 273 . 2 1 1 A 38 38 ASP HA H 650 4.699 5.117 -0.418 1
2 276 . 2 1 1 A 38 38 ASP N N 650 127.325 118.972 8.353 1
2 277 . 2 1 1 A 39 39 PRO HA H 651 4.268 4.592 -0.324 1
2 283 . 2 1 1 A 40 40 ARG H H 652 9.450 8.721 0.729 1
2 284 . 2 1 1 A 40 40 ARG HA H 652 3.979 4.267 -0.288 1
2 292 . 2 1 1 A 40 40 ARG N N 652 118.153 116.790 1.363 1
2 294 . 2 1 1 A 41 41 TYR H H 653 8.314 7.877 0.437 1
2 295 . 2 1 1 A 41 41 TYR HA H 653 4.158 4.309 -0.151 1
2 300 . 2 1 1 A 41 41 TYR N N 653 121.006 121.184 -0.178 1
2 301 . 2 1 1 A 42 42 LEU H H 654 6.988 7.400 -0.412 1
2 302 . 2 1 1 A 42 42 LEU HA H 654 4.092 4.458 -0.366 1
2 311 . 2 1 1 A 42 42 LEU N N 654 111.630 118.980 -7.350 1
2 312 . 2 1 1 A 43 43 LEU H H 655 7.483 8.003 -0.520 1
2 313 . 2 1 1 A 43 43 LEU HA H 655 4.044 4.125 -0.081 1
2 323 . 2 1 1 A 43 43 LEU N N 655 116.726 120.015 -3.289 1
2 324 . 2 1 1 A 44 44 LEU H H 656 6.517 7.464 -0.947 1
2 325 . 2 1 1 A 44 44 LEU HA H 656 4.569 4.171 0.398 1
2 335 . 2 1 1 A 44 44 LEU N N 656 114.076 118.294 -4.218 1
2 336 . 2 1 1 A 45 45 ASN H H 657 8.807 8.720 0.087 1
2 337 . 2 1 1 A 45 45 ASN HA H 657 4.677 5.004 -0.327 1
2 342 . 2 1 1 A 45 45 ASN N N 657 119.783 118.676 1.107 1
2 347 . 2 1 1 A 47 47 LYS H H 659 7.926 8.080 -0.154 1
2 348 . 2 1 1 A 47 47 LYS HA H 659 3.801 4.242 -0.441 1
2 353 . 2 1 1 A 47 47 LYS N N 659 118.599 116.913 1.686 1
2 354 . 2 1 1 A 48 48 GLU H H 660 7.923 8.270 -0.347 1
2 355 . 2 1 1 A 48 48 GLU HA H 660 3.777 4.057 -0.280 1
2 360 . 2 1 1 A 48 48 GLU N N 660 121.210 119.038 2.172 1
2 361 . 2 1 1 A 49 49 ARG H H 661 8.416 7.889 0.527 1
2 362 . 2 1 1 A 49 49 ARG HA H 661 3.778 3.998 -0.220 1
2 368 . 2 1 1 A 49 49 ARG N N 661 117.337 119.804 -2.467 1
2 370 . 2 1 1 A 50 50 LYS H H 662 6.760 7.650 -0.890 1
2 371 . 2 1 1 A 50 50 LYS HA H 662 3.431 3.939 -0.508 1
2 377 . 2 1 1 A 50 50 LYS N N 662 116.592 119.243 -2.651 1
2 378 . 2 1 1 A 51 51 GLN H H 663 7.503 7.802 -0.299 1
2 379 . 2 1 1 A 51 51 GLN HA H 663 4.010 4.123 -0.113 1
2 385 . 2 1 1 A 51 51 GLN N N 663 118.560 118.217 0.343 1
2 387 . 2 1 1 A 52 52 VAL H H 664 8.035 7.610 0.425 1
2 388 . 2 1 1 A 52 52 VAL HA H 664 3.653 3.765 -0.112 1
2 396 . 2 1 1 A 52 52 VAL N N 664 119.172 121.325 -2.153 1
2 397 . 2 1 1 A 53 53 PHE H H 665 8.740 8.056 0.684 1
2 398 . 2 1 1 A 53 53 PHE HA H 665 4.217 4.382 -0.165 1
2 403 . 2 1 1 A 53 53 PHE N N 665 122.433 121.142 1.291 1
2 404 . 2 1 1 A 54 54 ASP H H 666 9.001 8.280 0.721 1
2 405 . 2 1 1 A 54 54 ASP HA H 666 4.262 4.110 0.152 1
2 408 . 2 1 1 A 54 54 ASP N N 666 119.172 119.624 -0.452 1
2 409 . 2 1 1 A 55 55 GLN H H 667 7.616 7.979 -0.363 1
2 410 . 2 1 1 A 55 55 GLN HA H 667 4.026 4.133 -0.107 1
2 416 . 2 1 1 A 55 55 GLN N N 667 119.769 120.132 -0.363 1
2 418 . 2 1 1 A 56 56 TYR H H 668 8.520 7.914 0.606 1
2 419 . 2 1 1 A 56 56 TYR HA H 668 4.105 4.199 -0.094 1
2 426 . 2 1 1 A 56 56 TYR N N 668 123.860 123.362 0.498 1
2 427 . 2 1 1 A 57 57 VAL H H 669 8.517 8.232 0.285 1
2 428 . 2 1 1 A 57 57 VAL HA H 669 3.085 3.584 -0.499 1
2 436 . 2 1 1 A 57 57 VAL N N 669 118.153 118.933 -0.780 1
2 437 . 2 1 1 A 58 58 LYS H H 670 7.393 7.558 -0.165 1
2 438 . 2 1 1 A 58 58 LYS HA H 670 4.022 4.052 -0.030 1
2 444 . 2 1 1 A 58 58 LYS N N 670 118.968 121.191 -2.223 1
2 445 . 2 1 1 A 59 59 THR H H 671 7.971 7.727 0.244 1
2 446 . 2 1 1 A 59 59 THR HA H 671 3.965 3.900 0.065 1
2 451 . 2 1 1 A 59 59 THR N N 671 113.668 113.993 -0.325 1
2 452 . 2 1 1 A 60 60 ARG H H 672 8.248 7.861 0.387 1
2 453 . 2 1 1 A 60 60 ARG HA H 672 3.886 3.884 0.002 1
2 461 . 2 1 1 A 60 60 ARG N N 672 122.229 120.502 1.727 1
2 463 . 2 1 1 A 61 61 ALA H H 673 7.940 7.941 -0.001 1
2 464 . 2 1 1 A 61 61 ALA HA H 673 3.826 4.165 -0.339 1
2 468 . 2 1 1 A 61 61 ALA N N 673 121.414 121.201 0.213 1
2 469 . 2 1 1 A 62 62 GLU H H 674 7.610 7.891 -0.281 1
2 470 . 2 1 1 A 62 62 GLU HA H 674 4.034 3.959 0.075 1
2 475 . 2 1 1 A 62 62 GLU N N 674 116.930 117.907 -0.977 1
2 476 . 2 1 1 A 63 63 GLU H H 675 7.844 7.775 0.069 1
2 477 . 2 1 1 A 63 63 GLU HA H 675 3.996 4.121 -0.125 1
2 481 . 2 1 1 A 63 63 GLU N N 675 119.783 120.440 -0.657 1
2 482 . 2 1 1 A 64 64 GLU H H 676 8.262 8.415 -0.153 1
2 483 . 2 1 1 A 64 64 GLU HA H 676 4.026 3.983 0.043 1
2 488 . 2 1 1 A 64 64 GLU N N 676 119.579 120.095 -0.516 1
2 489 . 2 1 1 A 65 65 ARG H H 677 7.902 8.023 -0.121 1
2 490 . 2 1 1 A 65 65 ARG HA H 677 4.104 4.005 0.099 1
2 496 . 2 1 1 A 65 65 ARG N N 677 118.968 120.076 -1.108 1
2 497 . 2 1 1 A 66 66 ARG H H 678 7.801 7.841 -0.040 1
2 498 . 2 1 1 A 66 66 ARG HA H 678 4.099 4.137 -0.038 1
2 503 . 2 1 1 A 66 66 ARG N N 678 119.783 118.133 1.650 1
2 504 . 2 1 1 A 67 67 GLU H H 679 8.097 8.064 0.033 1
2 505 . 2 1 1 A 67 67 GLU HA H 679 4.118 4.218 -0.100 1
2 509 . 2 1 1 A 67 67 GLU N N 679 120.395 118.859 1.536 1
2 510 . 2 1 1 A 68 68 LYS H H 680 8.060 7.806 0.254 1
2 511 . 2 1 1 A 68 68 LYS HA H 680 4.181 4.076 0.105 1
2 515 . 2 1 1 A 68 68 LYS N N 680 121.210 118.740 2.470 1
2 516 . 2 1 1 A 69 69 LYS H H 681 8.129 7.507 0.622 1
2 517 . 2 1 1 A 69 69 LYS HA H 681 4.208 4.306 -0.098 1
2 521 . 2 1 1 A 69 69 LYS N N 681 121.821 115.432 6.389 1
2 522 . 2 1 1 A 70 70 ASN H H 682 8.333 8.245 0.088 1
2 523 . 2 1 1 A 70 70 ASN HA H 682 4.641 4.710 -0.069 1
2 528 . 2 1 1 A 70 70 ASN N N 682 119.783 120.949 -1.166 1
2 1 . 3 1 1 A 2 2 ALA HA H 614 4.300 4.030 0.270 1
2 5 . 3 1 1 A 3 3 MET H H 615 8.561 9.154 -0.593 1
2 6 . 3 1 1 A 3 3 MET HA H 615 4.395 4.171 0.224 1
2 8 . 3 1 1 A 3 3 MET N N 615 120.395 121.272 -0.877 1
2 9 . 3 1 1 A 4 4 GLY H H 616 8.499 8.391 0.108 1
2 10 . 3 1 1 A 4 4 GLY HA2 H 616 3.972 3.896 0.076 1
2 11 . 3 1 1 A 4 4 GLY N N 616 110.000 105.949 4.051 1
2 12 . 3 1 1 A 5 5 SER H H 617 8.467 8.270 0.197 1
2 13 . 3 1 1 A 5 5 SER HA H 617 4.362 4.098 0.264 1
2 16 . 3 1 1 A 5 5 SER N N 617 117.949 112.215 5.734 1
2 17 . 3 1 1 A 6 6 LEU H H 618 8.786 8.332 0.454 1
2 18 . 3 1 1 A 6 6 LEU HA H 618 3.944 4.133 -0.189 1
2 27 . 3 1 1 A 6 6 LEU N N 618 124.471 122.055 2.416 1
2 28 . 3 1 1 A 7 7 GLU H H 619 8.702 8.100 0.602 1
2 29 . 3 1 1 A 7 7 GLU HA H 619 3.839 3.989 -0.150 1
2 33 . 3 1 1 A 7 7 GLU N N 619 118.153 118.995 -0.842 1
2 34 . 3 1 1 A 8 8 ALA H H 620 7.933 8.079 -0.146 1
2 35 . 3 1 1 A 8 8 ALA HA H 620 4.131 4.046 0.085 1
2 39 . 3 1 1 A 8 8 ALA N N 620 123.248 122.143 1.105 1
2 40 . 3 1 1 A 9 9 ARG H H 621 8.371 7.596 0.775 1
2 41 . 3 1 1 A 9 9 ARG HA H 621 4.047 4.114 -0.067 1
2 49 . 3 1 1 A 9 9 ARG N N 621 120.395 118.955 1.440 1
2 51 . 3 1 1 A 10 10 MET H H 622 8.967 8.256 0.711 1
2 52 . 3 1 1 A 10 10 MET HA H 622 3.954 4.379 -0.425 1
2 56 . 3 1 1 A 10 10 MET N N 622 118.764 118.209 0.555 1
2 57 . 3 1 1 A 11 11 LYS H H 623 7.750 7.790 -0.040 1
2 58 . 3 1 1 A 11 11 LYS HA H 623 4.009 4.150 -0.141 1
2 61 . 3 1 1 A 11 11 LYS N N 623 120.802 121.043 -0.241 1
2 62 . 3 1 1 A 12 12 GLN H H 624 7.812 8.268 -0.456 1
2 63 . 3 1 1 A 12 12 GLN HA H 624 4.113 4.123 -0.010 1
2 70 . 3 1 1 A 12 12 GLN N N 624 117.541 118.870 -1.329 1
2 72 . 3 1 1 A 13 13 PHE H H 625 8.268 8.085 0.183 1
2 73 . 3 1 1 A 13 13 PHE HA H 625 3.813 4.200 -0.387 1
2 81 . 3 1 1 A 13 13 PHE N N 625 120.395 123.123 -2.728 1
2 82 . 3 1 1 A 14 14 LYS H H 626 8.510 8.104 0.406 1
2 83 . 3 1 1 A 14 14 LYS HA H 626 3.637 3.986 -0.349 1
2 89 . 3 1 1 A 14 14 LYS N N 626 120.395 119.139 1.256 1
2 90 . 3 1 1 A 15 15 ASP H H 627 8.594 8.264 0.330 1
2 91 . 3 1 1 A 15 15 ASP HA H 627 4.299 4.305 -0.006 1
2 94 . 3 1 1 A 15 15 ASP N N 627 120.851 119.604 1.247 1
2 95 . 3 1 1 A 16 16 MET H H 628 7.744 7.767 -0.023 1
2 96 . 3 1 1 A 16 16 MET HA H 628 3.651 4.005 -0.354 1
2 104 . 3 1 1 A 16 16 MET N N 628 121.210 118.660 2.550 1
2 105 . 3 1 1 A 17 17 LEU H H 629 7.527 7.942 -0.415 1
2 106 . 3 1 1 A 17 17 LEU HA H 629 3.334 3.671 -0.337 1
2 115 . 3 1 1 A 17 17 LEU N N 629 118.153 119.351 -1.198 1
2 116 . 3 1 1 A 18 18 LEU H H 630 6.955 7.518 -0.563 1
2 117 . 3 1 1 A 18 18 LEU HA H 630 4.358 4.468 -0.110 1
2 126 . 3 1 1 A 18 18 LEU N N 630 117.083 119.476 -2.393 1
2 127 . 3 1 1 A 19 19 GLU H H 631 8.530 8.096 0.434 1
2 128 . 3 1 1 A 19 19 GLU HA H 631 3.868 4.092 -0.224 1
2 133 . 3 1 1 A 19 19 GLU N N 631 121.414 119.407 2.007 1
2 134 . 3 1 1 A 20 20 ARG H H 632 8.374 7.502 0.872 1
2 135 . 3 1 1 A 20 20 ARG HA H 632 4.278 4.341 -0.063 1
2 142 . 3 1 1 A 20 20 ARG N N 632 113.465 116.906 -3.441 1
2 144 . 3 1 1 A 21 21 GLY H H 633 7.675 7.821 -0.146 1
2 145 . 3 1 1 A 21 21 GLY HA2 H 633 3.837 3.957 -0.120 1
2 146 . 3 1 1 A 21 21 GLY N N 633 107.554 107.264 0.290 1
2 147 . 3 1 1 A 22 22 VAL H H 634 8.096 8.031 0.065 1
2 148 . 3 1 1 A 22 22 VAL HA H 634 3.806 4.453 -0.647 1
2 156 . 3 1 1 A 22 22 VAL N N 634 121.414 120.301 1.113 1
2 157 . 3 1 1 A 23 23 SER H H 635 9.014 8.229 0.785 1
2 158 . 3 1 1 A 23 23 SER HA H 635 4.494 3.959 0.535 1
2 161 . 3 1 1 A 23 23 SER N N 635 126.509 121.576 4.933 1
2 162 . 3 1 1 A 24 24 ALA H H 636 8.919 8.487 0.432 1
2 163 . 3 1 1 A 24 24 ALA HA H 636 4.000 4.192 -0.192 1
2 167 . 3 1 1 A 24 24 ALA N N 636 126.713 131.191 -4.478 1
2 168 . 3 1 1 A 25 25 PHE H H 637 8.120 6.823 1.297 1
2 169 . 3 1 1 A 25 25 PHE HA H 637 4.734 4.830 -0.096 1
2 176 . 3 1 1 A 25 25 PHE N N 637 117.541 114.404 3.137 1
2 177 . 3 1 1 A 26 26 SER H H 638 7.795 8.252 -0.457 1
2 178 . 3 1 1 A 26 26 SER HA H 638 4.829 4.990 -0.161 1
2 181 . 3 1 1 A 26 26 SER N N 638 117.133 114.578 2.555 1
2 182 . 3 1 1 A 27 27 THR H H 639 8.880 8.322 0.558 1
2 183 . 3 1 1 A 27 27 THR HA H 639 4.935 4.778 0.157 1
2 188 . 3 1 1 A 27 27 THR N N 639 111.426 115.003 -3.577 1
2 189 . 3 1 1 A 28 28 TRP H H 640 9.317 9.162 0.155 1
2 190 . 3 1 1 A 28 28 TRP HA H 640 3.558 4.049 -0.491 1
2 197 . 3 1 1 A 28 28 TRP N N 640 123.452 130.274 -6.822 1
2 199 . 3 1 1 A 29 29 GLU H H 641 8.823 7.759 1.064 1
2 200 . 3 1 1 A 29 29 GLU HA H 641 3.576 4.046 -0.470 1
2 203 . 3 1 1 A 29 29 GLU N N 641 113.668 119.276 -5.608 1
2 204 . 3 1 1 A 30 30 LYS H H 642 7.661 7.466 0.195 1
2 205 . 3 1 1 A 30 30 LYS HA H 642 4.125 4.010 0.115 1
2 211 . 3 1 1 A 30 30 LYS N N 642 118.560 119.655 -1.095 1
2 212 . 3 1 1 A 31 31 GLU H H 643 7.735 7.824 -0.089 1
2 213 . 3 1 1 A 31 31 GLU HA H 643 4.049 3.785 0.264 1
2 218 . 3 1 1 A 31 31 GLU N N 643 115.503 119.996 -4.493 1
2 219 . 3 1 1 A 32 32 LEU H H 644 7.210 7.326 -0.116 1
2 220 . 3 1 1 A 32 32 LEU HA H 644 3.144 3.215 -0.071 1
2 230 . 3 1 1 A 32 32 LEU N N 644 121.210 121.267 -0.057 1
2 231 . 3 1 1 A 33 33 HIS H H 645 8.465 7.856 0.609 1
2 232 . 3 1 1 A 33 33 HIS HA H 645 4.011 4.178 -0.167 1
2 236 . 3 1 1 A 33 33 HIS N N 645 114.280 117.023 -2.743 1
2 237 . 3 1 1 A 34 34 LYS H H 646 7.426 7.005 0.421 1
2 238 . 3 1 1 A 34 34 LYS HA H 646 3.808 3.765 0.043 1
2 244 . 3 1 1 A 34 34 LYS N N 646 117.541 120.902 -3.361 1
2 245 . 3 1 1 A 35 35 ILE H H 647 7.152 7.681 -0.529 1
2 246 . 3 1 1 A 35 35 ILE HA H 647 4.159 4.208 -0.049 1
2 254 . 3 1 1 A 35 35 ILE N N 647 132.013 116.430 15.583 1
2 255 . 3 1 1 A 36 36 VAL H H 648 6.893 8.242 -1.349 1
2 256 . 3 1 1 A 36 36 VAL HA H 648 2.232 3.657 -1.425 1
2 264 . 3 1 1 A 36 36 VAL N N 648 118.886 118.848 0.038 1
2 265 . 3 1 1 A 37 37 PHE H H 649 7.244 7.979 -0.735 1
2 266 . 3 1 1 A 37 37 PHE HA H 649 4.629 4.359 0.270 1
2 271 . 3 1 1 A 37 37 PHE N N 649 115.707 117.311 -1.604 1
2 272 . 3 1 1 A 38 38 ASP H H 650 7.523 7.857 -0.334 1
2 273 . 3 1 1 A 38 38 ASP HA H 650 4.699 4.506 0.193 1
2 276 . 3 1 1 A 38 38 ASP N N 650 127.325 120.739 6.586 1
2 277 . 3 1 1 A 39 39 PRO HA H 651 4.268 4.506 -0.238 1
2 283 . 3 1 1 A 40 40 ARG H H 652 9.450 8.662 0.788 1
2 284 . 3 1 1 A 40 40 ARG HA H 652 3.979 4.251 -0.272 1
2 292 . 3 1 1 A 40 40 ARG N N 652 118.153 117.130 1.023 1
2 294 . 3 1 1 A 41 41 TYR H H 653 8.314 7.740 0.574 1
2 295 . 3 1 1 A 41 41 TYR HA H 653 4.158 4.139 0.019 1
2 300 . 3 1 1 A 41 41 TYR N N 653 121.006 121.107 -0.101 1
2 301 . 3 1 1 A 42 42 LEU H H 654 6.988 7.343 -0.355 1
2 302 . 3 1 1 A 42 42 LEU HA H 654 4.092 4.444 -0.352 1
2 311 . 3 1 1 A 42 42 LEU N N 654 111.630 118.967 -7.337 1
2 312 . 3 1 1 A 43 43 LEU H H 655 7.483 8.023 -0.540 1
2 313 . 3 1 1 A 43 43 LEU HA H 655 4.044 4.064 -0.020 1
2 323 . 3 1 1 A 43 43 LEU N N 655 116.726 119.799 -3.073 1
2 324 . 3 1 1 A 44 44 LEU H H 656 6.517 7.600 -1.083 1
2 325 . 3 1 1 A 44 44 LEU HA H 656 4.569 4.183 0.386 1
2 335 . 3 1 1 A 44 44 LEU N N 656 114.076 118.771 -4.695 1
2 336 . 3 1 1 A 45 45 ASN H H 657 8.807 8.802 0.005 1
2 337 . 3 1 1 A 45 45 ASN HA H 657 4.677 4.995 -0.318 1
2 342 . 3 1 1 A 45 45 ASN N N 657 119.783 119.042 0.741 1
2 347 . 3 1 1 A 47 47 LYS H H 659 7.926 7.815 0.111 1
2 348 . 3 1 1 A 47 47 LYS HA H 659 3.801 4.186 -0.385 1
2 353 . 3 1 1 A 47 47 LYS N N 659 118.599 118.238 0.361 1
2 354 . 3 1 1 A 48 48 GLU H H 660 7.923 8.219 -0.296 1
2 355 . 3 1 1 A 48 48 GLU HA H 660 3.777 4.056 -0.279 1
2 360 . 3 1 1 A 48 48 GLU N N 660 121.210 118.482 2.728 1
2 361 . 3 1 1 A 49 49 ARG H H 661 8.416 7.876 0.540 1
2 362 . 3 1 1 A 49 49 ARG HA H 661 3.778 3.931 -0.153 1
2 368 . 3 1 1 A 49 49 ARG N N 661 117.337 119.345 -2.008 1
2 370 . 3 1 1 A 50 50 LYS H H 662 6.760 7.757 -0.997 1
2 371 . 3 1 1 A 50 50 LYS HA H 662 3.431 3.868 -0.437 1
2 377 . 3 1 1 A 50 50 LYS N N 662 116.592 119.953 -3.361 1
2 378 . 3 1 1 A 51 51 GLN H H 663 7.503 7.771 -0.268 1
2 379 . 3 1 1 A 51 51 GLN HA H 663 4.010 4.105 -0.095 1
2 385 . 3 1 1 A 51 51 GLN N N 663 118.560 116.838 1.722 1
2 387 . 3 1 1 A 52 52 VAL H H 664 8.035 7.788 0.247 1
2 388 . 3 1 1 A 52 52 VAL HA H 664 3.653 3.758 -0.105 1
2 396 . 3 1 1 A 52 52 VAL N N 664 119.172 121.022 -1.850 1
2 397 . 3 1 1 A 53 53 PHE H H 665 8.740 7.994 0.746 1
2 398 . 3 1 1 A 53 53 PHE HA H 665 4.217 4.391 -0.174 1
2 403 . 3 1 1 A 53 53 PHE N N 665 122.433 121.097 1.336 1
2 404 . 3 1 1 A 54 54 ASP H H 666 9.001 8.293 0.708 1
2 405 . 3 1 1 A 54 54 ASP HA H 666 4.262 3.991 0.271 1
2 408 . 3 1 1 A 54 54 ASP N N 666 119.172 119.818 -0.646 1
2 409 . 3 1 1 A 55 55 GLN H H 667 7.616 7.910 -0.294 1
2 410 . 3 1 1 A 55 55 GLN HA H 667 4.026 4.153 -0.127 1
2 416 . 3 1 1 A 55 55 GLN N N 667 119.769 120.204 -0.435 1
2 418 . 3 1 1 A 56 56 TYR H H 668 8.520 7.977 0.543 1
2 419 . 3 1 1 A 56 56 TYR HA H 668 4.105 4.225 -0.120 1
2 426 . 3 1 1 A 56 56 TYR N N 668 123.860 122.860 1.000 1
2 427 . 3 1 1 A 57 57 VAL H H 669 8.517 8.167 0.350 1
2 428 . 3 1 1 A 57 57 VAL HA H 669 3.085 3.648 -0.563 1
2 436 . 3 1 1 A 57 57 VAL N N 669 118.153 118.938 -0.785 1
2 437 . 3 1 1 A 58 58 LYS H H 670 7.393 7.659 -0.266 1
2 438 . 3 1 1 A 58 58 LYS HA H 670 4.022 3.985 0.037 1
2 444 . 3 1 1 A 58 58 LYS N N 670 118.968 121.893 -2.925 1
2 445 . 3 1 1 A 59 59 THR H H 671 7.971 7.589 0.382 1
2 446 . 3 1 1 A 59 59 THR HA H 671 3.965 3.925 0.040 1
2 451 . 3 1 1 A 59 59 THR N N 671 113.668 114.101 -0.433 1
2 452 . 3 1 1 A 60 60 ARG H H 672 8.248 8.109 0.139 1
2 453 . 3 1 1 A 60 60 ARG HA H 672 3.886 3.804 0.082 1
2 461 . 3 1 1 A 60 60 ARG N N 672 122.229 120.510 1.719 1
2 463 . 3 1 1 A 61 61 ALA H H 673 7.940 8.145 -0.205 1
2 464 . 3 1 1 A 61 61 ALA HA H 673 3.826 4.191 -0.365 1
2 468 . 3 1 1 A 61 61 ALA N N 673 121.414 120.718 0.696 1
2 469 . 3 1 1 A 62 62 GLU H H 674 7.610 7.883 -0.273 1
2 470 . 3 1 1 A 62 62 GLU HA H 674 4.034 3.929 0.105 1
2 475 . 3 1 1 A 62 62 GLU N N 674 116.930 118.004 -1.074 1
2 476 . 3 1 1 A 63 63 GLU H H 675 7.844 7.797 0.047 1
2 477 . 3 1 1 A 63 63 GLU HA H 675 3.996 4.117 -0.121 1
2 481 . 3 1 1 A 63 63 GLU N N 675 119.783 119.875 -0.092 1
2 482 . 3 1 1 A 64 64 GLU H H 676 8.262 8.506 -0.244 1
2 483 . 3 1 1 A 64 64 GLU HA H 676 4.026 4.029 -0.003 1
2 488 . 3 1 1 A 64 64 GLU N N 676 119.579 119.899 -0.320 1
2 489 . 3 1 1 A 65 65 ARG H H 677 7.902 8.048 -0.146 1
2 490 . 3 1 1 A 65 65 ARG HA H 677 4.104 3.929 0.175 1
2 496 . 3 1 1 A 65 65 ARG N N 677 118.968 119.435 -0.467 1
2 497 . 3 1 1 A 66 66 ARG H H 678 7.801 8.146 -0.345 1
2 498 . 3 1 1 A 66 66 ARG HA H 678 4.099 4.051 0.048 1
2 503 . 3 1 1 A 66 66 ARG N N 678 119.783 117.854 1.929 1
2 504 . 3 1 1 A 67 67 GLU H H 679 8.097 8.247 -0.150 1
2 505 . 3 1 1 A 67 67 GLU HA H 679 4.118 4.191 -0.073 1
2 509 . 3 1 1 A 67 67 GLU N N 679 120.395 118.442 1.953 1
2 510 . 3 1 1 A 68 68 LYS H H 680 8.060 7.678 0.382 1
2 511 . 3 1 1 A 68 68 LYS HA H 680 4.181 4.350 -0.169 1
2 515 . 3 1 1 A 68 68 LYS N N 680 121.210 117.865 3.345 1
2 516 . 3 1 1 A 69 69 LYS H H 681 8.129 7.553 0.576 1
2 517 . 3 1 1 A 69 69 LYS HA H 681 4.208 4.545 -0.337 1
2 521 . 3 1 1 A 69 69 LYS N N 681 121.821 115.243 6.578 1
2 522 . 3 1 1 A 70 70 ASN H H 682 8.333 7.861 0.472 1
2 523 . 3 1 1 A 70 70 ASN HA H 682 4.641 4.959 -0.318 1
2 528 . 3 1 1 A 70 70 ASN N N 682 119.783 115.930 3.853 1
2 1 . 4 1 1 A 2 2 ALA HA H 614 4.300 4.617 -0.317 1
2 5 . 4 1 1 A 3 3 MET H H 615 8.561 8.549 0.012 1
2 6 . 4 1 1 A 3 3 MET HA H 615 4.395 5.282 -0.887 1
2 8 . 4 1 1 A 3 3 MET N N 615 120.395 121.177 -0.782 1
2 9 . 4 1 1 A 4 4 GLY H H 616 8.499 8.459 0.040 1
2 10 . 4 1 1 A 4 4 GLY HA2 H 616 3.972 4.125 -0.153 1
2 11 . 4 1 1 A 4 4 GLY N N 616 110.000 109.565 0.435 1
2 12 . 4 1 1 A 5 5 SER H H 617 8.467 8.479 -0.012 1
2 13 . 4 1 1 A 5 5 SER HA H 617 4.362 4.555 -0.193 1
2 16 . 4 1 1 A 5 5 SER N N 617 117.949 114.028 3.921 1
2 17 . 4 1 1 A 6 6 LEU H H 618 8.786 8.320 0.466 1
2 18 . 4 1 1 A 6 6 LEU HA H 618 3.944 4.127 -0.183 1
2 27 . 4 1 1 A 6 6 LEU N N 618 124.471 123.621 0.850 1
2 28 . 4 1 1 A 7 7 GLU H H 619 8.702 8.540 0.162 1
2 29 . 4 1 1 A 7 7 GLU HA H 619 3.839 3.913 -0.074 1
2 33 . 4 1 1 A 7 7 GLU N N 619 118.153 119.340 -1.187 1
2 34 . 4 1 1 A 8 8 ALA H H 620 7.933 8.199 -0.266 1
2 35 . 4 1 1 A 8 8 ALA HA H 620 4.131 4.111 0.020 1
2 39 . 4 1 1 A 8 8 ALA N N 620 123.248 121.489 1.759 1
2 40 . 4 1 1 A 9 9 ARG H H 621 8.371 7.612 0.759 1
2 41 . 4 1 1 A 9 9 ARG HA H 621 4.047 4.131 -0.084 1
2 49 . 4 1 1 A 9 9 ARG N N 621 120.395 119.282 1.113 1
2 51 . 4 1 1 A 10 10 MET H H 622 8.967 8.318 0.649 1
2 52 . 4 1 1 A 10 10 MET HA H 622 3.954 4.478 -0.524 1
2 56 . 4 1 1 A 10 10 MET N N 622 118.764 117.886 0.878 1
2 57 . 4 1 1 A 11 11 LYS H H 623 7.750 8.117 -0.367 1
2 58 . 4 1 1 A 11 11 LYS HA H 623 4.009 4.163 -0.154 1
2 61 . 4 1 1 A 11 11 LYS N N 623 120.802 121.412 -0.610 1
2 62 . 4 1 1 A 12 12 GLN H H 624 7.812 8.460 -0.648 1
2 63 . 4 1 1 A 12 12 GLN HA H 624 4.113 4.193 -0.080 1
2 70 . 4 1 1 A 12 12 GLN N N 624 117.541 118.379 -0.838 1
2 72 . 4 1 1 A 13 13 PHE H H 625 8.268 8.106 0.162 1
2 73 . 4 1 1 A 13 13 PHE HA H 625 3.813 4.193 -0.380 1
2 81 . 4 1 1 A 13 13 PHE N N 625 120.395 123.196 -2.801 1
2 82 . 4 1 1 A 14 14 LYS H H 626 8.510 8.073 0.437 1
2 83 . 4 1 1 A 14 14 LYS HA H 626 3.637 3.904 -0.267 1
2 89 . 4 1 1 A 14 14 LYS N N 626 120.395 119.027 1.368 1
2 90 . 4 1 1 A 15 15 ASP H H 627 8.594 8.118 0.476 1
2 91 . 4 1 1 A 15 15 ASP HA H 627 4.299 4.332 -0.033 1
2 94 . 4 1 1 A 15 15 ASP N N 627 120.851 119.536 1.315 1
2 95 . 4 1 1 A 16 16 MET H H 628 7.744 7.722 0.022 1
2 96 . 4 1 1 A 16 16 MET HA H 628 3.651 4.081 -0.430 1
2 104 . 4 1 1 A 16 16 MET N N 628 121.210 118.683 2.527 1
2 105 . 4 1 1 A 17 17 LEU H H 629 7.527 7.693 -0.166 1
2 106 . 4 1 1 A 17 17 LEU HA H 629 3.334 3.653 -0.319 1
2 115 . 4 1 1 A 17 17 LEU N N 629 118.153 118.879 -0.726 1
2 116 . 4 1 1 A 18 18 LEU H H 630 6.955 7.780 -0.825 1
2 117 . 4 1 1 A 18 18 LEU HA H 630 4.358 4.331 0.027 1
2 126 . 4 1 1 A 18 18 LEU N N 630 117.083 119.722 -2.639 1
2 127 . 4 1 1 A 19 19 GLU H H 631 8.530 8.238 0.292 1
2 128 . 4 1 1 A 19 19 GLU HA H 631 3.868 3.933 -0.065 1
2 133 . 4 1 1 A 19 19 GLU N N 631 121.414 119.231 2.183 1
2 134 . 4 1 1 A 20 20 ARG H H 632 8.374 7.408 0.966 1
2 135 . 4 1 1 A 20 20 ARG HA H 632 4.278 4.324 -0.046 1
2 142 . 4 1 1 A 20 20 ARG N N 632 113.465 116.761 -3.296 1
2 144 . 4 1 1 A 21 21 GLY H H 633 7.675 7.598 0.077 1
2 145 . 4 1 1 A 21 21 GLY HA2 H 633 3.837 3.897 -0.060 1
2 146 . 4 1 1 A 21 21 GLY N N 633 107.554 107.908 -0.354 1
2 147 . 4 1 1 A 22 22 VAL H H 634 8.096 7.926 0.170 1
2 148 . 4 1 1 A 22 22 VAL HA H 634 3.806 4.459 -0.653 1
2 156 . 4 1 1 A 22 22 VAL N N 634 121.414 119.364 2.050 1
2 157 . 4 1 1 A 23 23 SER H H 635 9.014 8.191 0.823 1
2 158 . 4 1 1 A 23 23 SER HA H 635 4.494 3.954 0.540 1
2 161 . 4 1 1 A 23 23 SER N N 635 126.509 119.555 6.954 1
2 162 . 4 1 1 A 24 24 ALA H H 636 8.919 8.313 0.606 1
2 163 . 4 1 1 A 24 24 ALA HA H 636 4.000 4.244 -0.244 1
2 167 . 4 1 1 A 24 24 ALA N N 636 126.713 130.320 -3.607 1
2 168 . 4 1 1 A 25 25 PHE H H 637 8.120 6.841 1.279 1
2 169 . 4 1 1 A 25 25 PHE HA H 637 4.734 4.830 -0.096 1
2 176 . 4 1 1 A 25 25 PHE N N 637 117.541 114.952 2.589 1
2 177 . 4 1 1 A 26 26 SER H H 638 7.795 7.456 0.339 1
2 178 . 4 1 1 A 26 26 SER HA H 638 4.829 5.147 -0.318 1
2 181 . 4 1 1 A 26 26 SER N N 638 117.133 115.761 1.372 1
2 182 . 4 1 1 A 27 27 THR H H 639 8.880 8.436 0.444 1
2 183 . 4 1 1 A 27 27 THR HA H 639 4.935 4.754 0.181 1
2 188 . 4 1 1 A 27 27 THR N N 639 111.426 115.855 -4.429 1
2 189 . 4 1 1 A 28 28 TRP H H 640 9.317 9.268 0.049 1
2 190 . 4 1 1 A 28 28 TRP HA H 640 3.558 3.963 -0.405 1
2 197 . 4 1 1 A 28 28 TRP N N 640 123.452 130.123 -6.671 1
2 199 . 4 1 1 A 29 29 GLU H H 641 8.823 7.694 1.129 1
2 200 . 4 1 1 A 29 29 GLU HA H 641 3.576 4.059 -0.483 1
2 203 . 4 1 1 A 29 29 GLU N N 641 113.668 119.217 -5.549 1
2 204 . 4 1 1 A 30 30 LYS H H 642 7.661 7.318 0.343 1
2 205 . 4 1 1 A 30 30 LYS HA H 642 4.125 4.041 0.084 1
2 211 . 4 1 1 A 30 30 LYS N N 642 118.560 119.516 -0.956 1
2 212 . 4 1 1 A 31 31 GLU H H 643 7.735 7.755 -0.020 1
2 213 . 4 1 1 A 31 31 GLU HA H 643 4.049 3.822 0.227 1
2 218 . 4 1 1 A 31 31 GLU N N 643 115.503 119.859 -4.356 1
2 219 . 4 1 1 A 32 32 LEU H H 644 7.210 7.354 -0.144 1
2 220 . 4 1 1 A 32 32 LEU HA H 644 3.144 3.310 -0.166 1
2 230 . 4 1 1 A 32 32 LEU N N 644 121.210 122.262 -1.052 1
2 231 . 4 1 1 A 33 33 HIS H H 645 8.465 7.978 0.487 1
2 232 . 4 1 1 A 33 33 HIS HA H 645 4.011 4.235 -0.224 1
2 236 . 4 1 1 A 33 33 HIS N N 645 114.280 116.722 -2.442 1
2 237 . 4 1 1 A 34 34 LYS H H 646 7.426 6.851 0.575 1
2 238 . 4 1 1 A 34 34 LYS HA H 646 3.808 3.740 0.068 1
2 244 . 4 1 1 A 34 34 LYS N N 646 117.541 121.091 -3.550 1
2 245 . 4 1 1 A 35 35 ILE H H 647 7.152 7.538 -0.386 1
2 246 . 4 1 1 A 35 35 ILE HA H 647 4.159 4.095 0.064 1
2 254 . 4 1 1 A 35 35 ILE N N 647 132.013 114.492 17.521 1
2 255 . 4 1 1 A 36 36 VAL H H 648 6.893 8.046 -1.153 1
2 256 . 4 1 1 A 36 36 VAL HA H 648 2.232 3.639 -1.407 1
2 264 . 4 1 1 A 36 36 VAL N N 648 118.886 119.993 -1.107 1
2 265 . 4 1 1 A 37 37 PHE H H 649 7.244 7.750 -0.506 1
2 266 . 4 1 1 A 37 37 PHE HA H 649 4.629 4.375 0.254 1
2 271 . 4 1 1 A 37 37 PHE N N 649 115.707 120.331 -4.624 1
2 272 . 4 1 1 A 38 38 ASP H H 650 7.523 7.830 -0.307 1
2 273 . 4 1 1 A 38 38 ASP HA H 650 4.699 4.961 -0.262 1
2 276 . 4 1 1 A 38 38 ASP N N 650 127.325 120.469 6.856 1
2 277 . 4 1 1 A 39 39 PRO HA H 651 4.268 4.601 -0.333 1
2 283 . 4 1 1 A 40 40 ARG H H 652 9.450 8.572 0.878 1
2 284 . 4 1 1 A 40 40 ARG HA H 652 3.979 4.268 -0.289 1
2 292 . 4 1 1 A 40 40 ARG N N 652 118.153 117.836 0.317 1
2 294 . 4 1 1 A 41 41 TYR H H 653 8.314 7.904 0.410 1
2 295 . 4 1 1 A 41 41 TYR HA H 653 4.158 4.459 -0.301 1
2 300 . 4 1 1 A 41 41 TYR N N 653 121.006 122.070 -1.064 1
2 301 . 4 1 1 A 42 42 LEU H H 654 6.988 7.851 -0.863 1
2 302 . 4 1 1 A 42 42 LEU HA H 654 4.092 4.418 -0.326 1
2 311 . 4 1 1 A 42 42 LEU N N 654 111.630 118.914 -7.284 1
2 312 . 4 1 1 A 43 43 LEU H H 655 7.483 7.462 0.021 1
2 313 . 4 1 1 A 43 43 LEU HA H 655 4.044 4.179 -0.135 1
2 323 . 4 1 1 A 43 43 LEU N N 655 116.726 119.534 -2.808 1
2 324 . 4 1 1 A 44 44 LEU H H 656 6.517 7.223 -0.706 1
2 325 . 4 1 1 A 44 44 LEU HA H 656 4.569 4.178 0.391 1
2 335 . 4 1 1 A 44 44 LEU N N 656 114.076 117.975 -3.899 1
2 336 . 4 1 1 A 45 45 ASN H H 657 8.807 8.543 0.264 1
2 337 . 4 1 1 A 45 45 ASN HA H 657 4.677 5.040 -0.363 1
2 342 . 4 1 1 A 45 45 ASN N N 657 119.783 117.716 2.067 1
2 347 . 4 1 1 A 47 47 LYS H H 659 7.926 8.124 -0.198 1
2 348 . 4 1 1 A 47 47 LYS HA H 659 3.801 4.223 -0.422 1
2 353 . 4 1 1 A 47 47 LYS N N 659 118.599 116.936 1.663 1
2 354 . 4 1 1 A 48 48 GLU H H 660 7.923 8.256 -0.333 1
2 355 . 4 1 1 A 48 48 GLU HA H 660 3.777 4.077 -0.300 1
2 360 . 4 1 1 A 48 48 GLU N N 660 121.210 119.461 1.749 1
2 361 . 4 1 1 A 49 49 ARG H H 661 8.416 8.150 0.266 1
2 362 . 4 1 1 A 49 49 ARG HA H 661 3.778 4.147 -0.369 1
2 368 . 4 1 1 A 49 49 ARG N N 661 117.337 119.549 -2.212 1
2 370 . 4 1 1 A 50 50 LYS H H 662 6.760 7.766 -1.006 1
2 371 . 4 1 1 A 50 50 LYS HA H 662 3.431 3.931 -0.500 1
2 377 . 4 1 1 A 50 50 LYS N N 662 116.592 120.043 -3.451 1
2 378 . 4 1 1 A 51 51 GLN H H 663 7.503 7.954 -0.451 1
2 379 . 4 1 1 A 51 51 GLN HA H 663 4.010 4.099 -0.089 1
2 385 . 4 1 1 A 51 51 GLN N N 663 118.560 117.349 1.211 1
2 387 . 4 1 1 A 52 52 VAL H H 664 8.035 7.653 0.382 1
2 388 . 4 1 1 A 52 52 VAL HA H 664 3.653 3.703 -0.050 1
2 396 . 4 1 1 A 52 52 VAL N N 664 119.172 121.430 -2.258 1
2 397 . 4 1 1 A 53 53 PHE H H 665 8.740 8.396 0.344 1
2 398 . 4 1 1 A 53 53 PHE HA H 665 4.217 4.271 -0.054 1
2 403 . 4 1 1 A 53 53 PHE N N 665 122.433 120.742 1.691 1
2 404 . 4 1 1 A 54 54 ASP H H 666 9.001 8.652 0.349 1
2 405 . 4 1 1 A 54 54 ASP HA H 666 4.262 4.086 0.176 1
2 408 . 4 1 1 A 54 54 ASP N N 666 119.172 118.775 0.397 1
2 409 . 4 1 1 A 55 55 GLN H H 667 7.616 8.125 -0.509 1
2 410 . 4 1 1 A 55 55 GLN HA H 667 4.026 4.169 -0.143 1
2 416 . 4 1 1 A 55 55 GLN N N 667 119.769 117.731 2.038 1
2 418 . 4 1 1 A 56 56 TYR H H 668 8.520 8.175 0.345 1
2 419 . 4 1 1 A 56 56 TYR HA H 668 4.105 4.174 -0.069 1
2 426 . 4 1 1 A 56 56 TYR N N 668 123.860 123.500 0.360 1
2 427 . 4 1 1 A 57 57 VAL H H 669 8.517 8.126 0.391 1
2 428 . 4 1 1 A 57 57 VAL HA H 669 3.085 3.588 -0.503 1
2 436 . 4 1 1 A 57 57 VAL N N 669 118.153 118.592 -0.439 1
2 437 . 4 1 1 A 58 58 LYS H H 670 7.393 7.537 -0.144 1
2 438 . 4 1 1 A 58 58 LYS HA H 670 4.022 4.016 0.006 1
2 444 . 4 1 1 A 58 58 LYS N N 670 118.968 121.638 -2.670 1
2 445 . 4 1 1 A 59 59 THR H H 671 7.971 7.570 0.401 1
2 446 . 4 1 1 A 59 59 THR HA H 671 3.965 3.923 0.042 1
2 451 . 4 1 1 A 59 59 THR N N 671 113.668 114.133 -0.465 1
2 452 . 4 1 1 A 60 60 ARG H H 672 8.248 8.087 0.161 1
2 453 . 4 1 1 A 60 60 ARG HA H 672 3.886 3.768 0.118 1
2 461 . 4 1 1 A 60 60 ARG N N 672 122.229 120.295 1.934 1
2 463 . 4 1 1 A 61 61 ALA H H 673 7.940 7.591 0.349 1
2 464 . 4 1 1 A 61 61 ALA HA H 673 3.826 4.083 -0.257 1
2 468 . 4 1 1 A 61 61 ALA N N 673 121.414 120.601 0.813 1
2 469 . 4 1 1 A 62 62 GLU H H 674 7.610 7.833 -0.223 1
2 470 . 4 1 1 A 62 62 GLU HA H 674 4.034 4.044 -0.010 1
2 475 . 4 1 1 A 62 62 GLU N N 674 116.930 117.837 -0.907 1
2 476 . 4 1 1 A 63 63 GLU H H 675 7.844 7.568 0.276 1
2 477 . 4 1 1 A 63 63 GLU HA H 675 3.996 4.168 -0.172 1
2 481 . 4 1 1 A 63 63 GLU N N 675 119.783 119.615 0.168 1
2 482 . 4 1 1 A 64 64 GLU H H 676 8.262 8.744 -0.482 1
2 483 . 4 1 1 A 64 64 GLU HA H 676 4.026 4.129 -0.103 1
2 488 . 4 1 1 A 64 64 GLU N N 676 119.579 118.523 1.056 1
2 489 . 4 1 1 A 65 65 ARG H H 677 7.902 7.960 -0.058 1
2 490 . 4 1 1 A 65 65 ARG HA H 677 4.104 4.253 -0.149 1
2 496 . 4 1 1 A 65 65 ARG N N 677 118.968 120.572 -1.604 1
2 497 . 4 1 1 A 66 66 ARG H H 678 7.801 7.935 -0.134 1
2 498 . 4 1 1 A 66 66 ARG HA H 678 4.099 4.155 -0.056 1
2 503 . 4 1 1 A 66 66 ARG N N 678 119.783 117.861 1.922 1
2 504 . 4 1 1 A 67 67 GLU H H 679 8.097 7.815 0.282 1
2 505 . 4 1 1 A 67 67 GLU HA H 679 4.118 4.174 -0.056 1
2 509 . 4 1 1 A 67 67 GLU N N 679 120.395 118.488 1.907 1
2 510 . 4 1 1 A 68 68 LYS H H 680 8.060 7.692 0.368 1
2 511 . 4 1 1 A 68 68 LYS HA H 680 4.181 4.533 -0.352 1
2 515 . 4 1 1 A 68 68 LYS N N 680 121.210 114.154 7.056 1
2 516 . 4 1 1 A 69 69 LYS H H 681 8.129 7.691 0.438 1
2 517 . 4 1 1 A 69 69 LYS HA H 681 4.208 4.088 0.120 1
2 521 . 4 1 1 A 69 69 LYS N N 681 121.821 116.251 5.570 1
2 522 . 4 1 1 A 70 70 ASN H H 682 8.333 9.073 -0.740 1
2 523 . 4 1 1 A 70 70 ASN HA H 682 4.641 4.396 0.245 1
2 528 . 4 1 1 A 70 70 ASN N N 682 119.783 121.327 -1.544 1
2 1 . 5 1 1 A 2 2 ALA HA H 614 4.300 4.205 0.095 1
2 5 . 5 1 1 A 3 3 MET H H 615 8.561 8.854 -0.293 1
2 6 . 5 1 1 A 3 3 MET HA H 615 4.395 4.129 0.266 1
2 8 . 5 1 1 A 3 3 MET N N 615 120.395 118.276 2.119 1
2 9 . 5 1 1 A 4 4 GLY H H 616 8.499 7.685 0.814 1
2 10 . 5 1 1 A 4 4 GLY HA2 H 616 3.972 4.057 -0.085 1
2 11 . 5 1 1 A 4 4 GLY N N 616 110.000 107.077 2.923 1
2 12 . 5 1 1 A 5 5 SER H H 617 8.467 8.533 -0.066 1
2 13 . 5 1 1 A 5 5 SER HA H 617 4.362 4.580 -0.218 1
2 16 . 5 1 1 A 5 5 SER N N 617 117.949 120.687 -2.738 1
2 17 . 5 1 1 A 6 6 LEU H H 618 8.786 8.216 0.570 1
2 18 . 5 1 1 A 6 6 LEU HA H 618 3.944 4.095 -0.151 1
2 27 . 5 1 1 A 6 6 LEU N N 618 124.471 122.256 2.215 1
2 28 . 5 1 1 A 7 7 GLU H H 619 8.702 8.527 0.175 1
2 29 . 5 1 1 A 7 7 GLU HA H 619 3.839 3.898 -0.059 1
2 33 . 5 1 1 A 7 7 GLU N N 619 118.153 119.254 -1.101 1
2 34 . 5 1 1 A 8 8 ALA H H 620 7.933 8.192 -0.259 1
2 35 . 5 1 1 A 8 8 ALA HA H 620 4.131 4.104 0.027 1
2 39 . 5 1 1 A 8 8 ALA N N 620 123.248 121.746 1.502 1
2 40 . 5 1 1 A 9 9 ARG H H 621 8.371 7.740 0.631 1
2 41 . 5 1 1 A 9 9 ARG HA H 621 4.047 4.146 -0.099 1
2 49 . 5 1 1 A 9 9 ARG N N 621 120.395 119.062 1.333 1
2 51 . 5 1 1 A 10 10 MET H H 622 8.967 8.060 0.907 1
2 52 . 5 1 1 A 10 10 MET HA H 622 3.954 4.419 -0.465 1
2 56 . 5 1 1 A 10 10 MET N N 622 118.764 117.814 0.950 1
2 57 . 5 1 1 A 11 11 LYS H H 623 7.750 8.043 -0.293 1
2 58 . 5 1 1 A 11 11 LYS HA H 623 4.009 4.192 -0.183 1
2 61 . 5 1 1 A 11 11 LYS N N 623 120.802 121.220 -0.418 1
2 62 . 5 1 1 A 12 12 GLN H H 624 7.812 8.452 -0.640 1
2 63 . 5 1 1 A 12 12 GLN HA H 624 4.113 4.049 0.064 1
2 70 . 5 1 1 A 12 12 GLN N N 624 117.541 118.579 -1.038 1
2 72 . 5 1 1 A 13 13 PHE H H 625 8.268 8.082 0.186 1
2 73 . 5 1 1 A 13 13 PHE HA H 625 3.813 4.176 -0.363 1
2 81 . 5 1 1 A 13 13 PHE N N 625 120.395 122.764 -2.369 1
2 82 . 5 1 1 A 14 14 LYS H H 626 8.510 8.128 0.382 1
2 83 . 5 1 1 A 14 14 LYS HA H 626 3.637 3.956 -0.319 1
2 89 . 5 1 1 A 14 14 LYS N N 626 120.395 119.209 1.186 1
2 90 . 5 1 1 A 15 15 ASP H H 627 8.594 8.066 0.528 1
2 91 . 5 1 1 A 15 15 ASP HA H 627 4.299 4.311 -0.012 1
2 94 . 5 1 1 A 15 15 ASP N N 627 120.851 119.159 1.692 1
2 95 . 5 1 1 A 16 16 MET H H 628 7.744 7.849 -0.105 1
2 96 . 5 1 1 A 16 16 MET HA H 628 3.651 4.023 -0.372 1
2 104 . 5 1 1 A 16 16 MET N N 628 121.210 117.736 3.474 1
2 105 . 5 1 1 A 17 17 LEU H H 629 7.527 7.871 -0.344 1
2 106 . 5 1 1 A 17 17 LEU HA H 629 3.334 3.797 -0.463 1
2 115 . 5 1 1 A 17 17 LEU N N 629 118.153 120.419 -2.266 1
2 116 . 5 1 1 A 18 18 LEU H H 630 6.955 7.406 -0.451 1
2 117 . 5 1 1 A 18 18 LEU HA H 630 4.358 4.377 -0.019 1
2 126 . 5 1 1 A 18 18 LEU N N 630 117.083 119.755 -2.672 1
2 127 . 5 1 1 A 19 19 GLU H H 631 8.530 7.903 0.627 1
2 128 . 5 1 1 A 19 19 GLU HA H 631 3.868 4.279 -0.411 1
2 133 . 5 1 1 A 19 19 GLU N N 631 121.414 119.375 2.039 1
2 134 . 5 1 1 A 20 20 ARG H H 632 8.374 7.766 0.608 1
2 135 . 5 1 1 A 20 20 ARG HA H 632 4.278 4.268 0.010 1
2 142 . 5 1 1 A 20 20 ARG N N 632 113.465 117.072 -3.607 1
2 144 . 5 1 1 A 21 21 GLY H H 633 7.675 7.863 -0.188 1
2 145 . 5 1 1 A 21 21 GLY HA2 H 633 3.837 3.943 -0.106 1
2 146 . 5 1 1 A 21 21 GLY N N 633 107.554 108.155 -0.601 1
2 147 . 5 1 1 A 22 22 VAL H H 634 8.096 8.204 -0.108 1
2 148 . 5 1 1 A 22 22 VAL HA H 634 3.806 4.303 -0.497 1
2 156 . 5 1 1 A 22 22 VAL N N 634 121.414 119.569 1.845 1
2 157 . 5 1 1 A 23 23 SER H H 635 9.014 8.425 0.589 1
2 158 . 5 1 1 A 23 23 SER HA H 635 4.494 3.922 0.572 1
2 161 . 5 1 1 A 23 23 SER N N 635 126.509 121.453 5.056 1
2 162 . 5 1 1 A 24 24 ALA H H 636 8.919 8.308 0.611 1
2 163 . 5 1 1 A 24 24 ALA HA H 636 4.000 3.755 0.245 1
2 167 . 5 1 1 A 24 24 ALA N N 636 126.713 130.913 -4.200 1
2 168 . 5 1 1 A 25 25 PHE H H 637 8.120 6.785 1.335 1
2 169 . 5 1 1 A 25 25 PHE HA H 637 4.734 4.824 -0.090 1
2 176 . 5 1 1 A 25 25 PHE N N 637 117.541 113.110 4.431 1
2 177 . 5 1 1 A 26 26 SER H H 638 7.795 8.302 -0.507 1
2 178 . 5 1 1 A 26 26 SER HA H 638 4.829 5.060 -0.231 1
2 181 . 5 1 1 A 26 26 SER N N 638 117.133 116.265 0.868 1
2 182 . 5 1 1 A 27 27 THR H H 639 8.880 8.447 0.433 1
2 183 . 5 1 1 A 27 27 THR HA H 639 4.935 4.703 0.232 1
2 188 . 5 1 1 A 27 27 THR N N 639 111.426 116.065 -4.639 1
2 189 . 5 1 1 A 28 28 TRP H H 640 9.317 9.160 0.157 1
2 190 . 5 1 1 A 28 28 TRP HA H 640 3.558 4.497 -0.939 1
2 197 . 5 1 1 A 28 28 TRP N N 640 123.452 130.219 -6.767 1
2 199 . 5 1 1 A 29 29 GLU H H 641 8.823 7.661 1.162 1
2 200 . 5 1 1 A 29 29 GLU HA H 641 3.576 4.045 -0.469 1
2 203 . 5 1 1 A 29 29 GLU N N 641 113.668 119.392 -5.724 1
2 204 . 5 1 1 A 30 30 LYS H H 642 7.661 7.429 0.232 1
2 205 . 5 1 1 A 30 30 LYS HA H 642 4.125 4.150 -0.025 1
2 211 . 5 1 1 A 30 30 LYS N N 642 118.560 119.700 -1.140 1
2 212 . 5 1 1 A 31 31 GLU H H 643 7.735 7.703 0.032 1
2 213 . 5 1 1 A 31 31 GLU HA H 643 4.049 3.838 0.211 1
2 218 . 5 1 1 A 31 31 GLU N N 643 115.503 120.024 -4.521 1
2 219 . 5 1 1 A 32 32 LEU H H 644 7.210 7.372 -0.162 1
2 220 . 5 1 1 A 32 32 LEU HA H 644 3.144 3.280 -0.136 1
2 230 . 5 1 1 A 32 32 LEU N N 644 121.210 122.242 -1.032 1
2 231 . 5 1 1 A 33 33 HIS H H 645 8.465 7.842 0.623 1
2 232 . 5 1 1 A 33 33 HIS HA H 645 4.011 3.993 0.018 1
2 236 . 5 1 1 A 33 33 HIS N N 645 114.280 116.693 -2.413 1
2 237 . 5 1 1 A 34 34 LYS H H 646 7.426 6.972 0.454 1
2 238 . 5 1 1 A 34 34 LYS HA H 646 3.808 3.961 -0.153 1
2 244 . 5 1 1 A 34 34 LYS N N 646 117.541 121.141 -3.600 1
2 245 . 5 1 1 A 35 35 ILE H H 647 7.152 7.318 -0.166 1
2 246 . 5 1 1 A 35 35 ILE HA H 647 4.159 4.148 0.011 1
2 254 . 5 1 1 A 35 35 ILE N N 647 132.013 113.677 18.336 1
2 255 . 5 1 1 A 36 36 VAL H H 648 6.893 7.956 -1.063 1
2 256 . 5 1 1 A 36 36 VAL HA H 648 2.232 3.184 -0.952 1
2 264 . 5 1 1 A 36 36 VAL N N 648 118.886 121.132 -2.246 1
2 265 . 5 1 1 A 37 37 PHE H H 649 7.244 7.672 -0.428 1
2 266 . 5 1 1 A 37 37 PHE HA H 649 4.629 4.353 0.276 1
2 271 . 5 1 1 A 37 37 PHE N N 649 115.707 118.853 -3.146 1
2 272 . 5 1 1 A 38 38 ASP H H 650 7.523 7.486 0.037 1
2 273 . 5 1 1 A 38 38 ASP HA H 650 4.699 4.976 -0.277 1
2 276 . 5 1 1 A 38 38 ASP N N 650 127.325 119.983 7.342 1
2 277 . 5 1 1 A 39 39 PRO HA H 651 4.268 4.541 -0.273 1
2 283 . 5 1 1 A 40 40 ARG H H 652 9.450 8.890 0.560 1
2 284 . 5 1 1 A 40 40 ARG HA H 652 3.979 4.250 -0.271 1
2 292 . 5 1 1 A 40 40 ARG N N 652 118.153 116.963 1.190 1
2 294 . 5 1 1 A 41 41 TYR H H 653 8.314 7.832 0.482 1
2 295 . 5 1 1 A 41 41 TYR HA H 653 4.158 4.053 0.105 1
2 300 . 5 1 1 A 41 41 TYR N N 653 121.006 121.189 -0.183 1
2 301 . 5 1 1 A 42 42 LEU H H 654 6.988 7.641 -0.653 1
2 302 . 5 1 1 A 42 42 LEU HA H 654 4.092 4.459 -0.367 1
2 311 . 5 1 1 A 42 42 LEU N N 654 111.630 119.024 -7.394 1
2 312 . 5 1 1 A 43 43 LEU H H 655 7.483 8.036 -0.553 1
2 313 . 5 1 1 A 43 43 LEU HA H 655 4.044 4.201 -0.157 1
2 323 . 5 1 1 A 43 43 LEU N N 655 116.726 119.669 -2.943 1
2 324 . 5 1 1 A 44 44 LEU H H 656 6.517 7.718 -1.201 1
2 325 . 5 1 1 A 44 44 LEU HA H 656 4.569 4.199 0.370 1
2 335 . 5 1 1 A 44 44 LEU N N 656 114.076 119.197 -5.121 1
2 336 . 5 1 1 A 45 45 ASN H H 657 8.807 8.733 0.074 1
2 337 . 5 1 1 A 45 45 ASN HA H 657 4.677 5.023 -0.346 1
2 342 . 5 1 1 A 45 45 ASN N N 657 119.783 118.984 0.799 1
2 347 . 5 1 1 A 47 47 LYS H H 659 7.926 8.095 -0.169 1
2 348 . 5 1 1 A 47 47 LYS HA H 659 3.801 4.194 -0.393 1
2 353 . 5 1 1 A 47 47 LYS N N 659 118.599 116.835 1.764 1
2 354 . 5 1 1 A 48 48 GLU H H 660 7.923 8.233 -0.310 1
2 355 . 5 1 1 A 48 48 GLU HA H 660 3.777 4.012 -0.235 1
2 360 . 5 1 1 A 48 48 GLU N N 660 121.210 118.979 2.231 1
2 361 . 5 1 1 A 49 49 ARG H H 661 8.416 7.836 0.580 1
2 362 . 5 1 1 A 49 49 ARG HA H 661 3.778 3.918 -0.140 1
2 368 . 5 1 1 A 49 49 ARG N N 661 117.337 119.309 -1.972 1
2 370 . 5 1 1 A 50 50 LYS H H 662 6.760 7.655 -0.895 1
2 371 . 5 1 1 A 50 50 LYS HA H 662 3.431 3.888 -0.457 1
2 377 . 5 1 1 A 50 50 LYS N N 662 116.592 119.332 -2.740 1
2 378 . 5 1 1 A 51 51 GLN H H 663 7.503 7.775 -0.272 1
2 379 . 5 1 1 A 51 51 GLN HA H 663 4.010 4.123 -0.113 1
2 385 . 5 1 1 A 51 51 GLN N N 663 118.560 117.908 0.652 1
2 387 . 5 1 1 A 52 52 VAL H H 664 8.035 7.789 0.246 1
2 388 . 5 1 1 A 52 52 VAL HA H 664 3.653 3.691 -0.038 1
2 396 . 5 1 1 A 52 52 VAL N N 664 119.172 121.640 -2.468 1
2 397 . 5 1 1 A 53 53 PHE H H 665 8.740 8.123 0.617 1
2 398 . 5 1 1 A 53 53 PHE HA H 665 4.217 4.412 -0.195 1
2 403 . 5 1 1 A 53 53 PHE N N 665 122.433 120.797 1.636 1
2 404 . 5 1 1 A 54 54 ASP H H 666 9.001 8.163 0.838 1
2 405 . 5 1 1 A 54 54 ASP HA H 666 4.262 3.939 0.323 1
2 408 . 5 1 1 A 54 54 ASP N N 666 119.172 119.240 -0.068 1
2 409 . 5 1 1 A 55 55 GLN H H 667 7.616 7.805 -0.189 1
2 410 . 5 1 1 A 55 55 GLN HA H 667 4.026 4.110 -0.084 1
2 416 . 5 1 1 A 55 55 GLN N N 667 119.769 117.966 1.803 1
2 418 . 5 1 1 A 56 56 TYR H H 668 8.520 7.929 0.591 1
2 419 . 5 1 1 A 56 56 TYR HA H 668 4.105 4.176 -0.071 1
2 426 . 5 1 1 A 56 56 TYR N N 668 123.860 122.833 1.027 1
2 427 . 5 1 1 A 57 57 VAL H H 669 8.517 7.910 0.607 1
2 428 . 5 1 1 A 57 57 VAL HA H 669 3.085 3.392 -0.307 1
2 436 . 5 1 1 A 57 57 VAL N N 669 118.153 119.054 -0.901 1
2 437 . 5 1 1 A 58 58 LYS H H 670 7.393 7.627 -0.234 1
2 438 . 5 1 1 A 58 58 LYS HA H 670 4.022 4.000 0.022 1
2 444 . 5 1 1 A 58 58 LYS N N 670 118.968 121.156 -2.188 1
2 445 . 5 1 1 A 59 59 THR H H 671 7.971 7.693 0.278 1
2 446 . 5 1 1 A 59 59 THR HA H 671 3.965 3.891 0.074 1
2 451 . 5 1 1 A 59 59 THR N N 671 113.668 114.174 -0.506 1
2 452 . 5 1 1 A 60 60 ARG H H 672 8.248 7.861 0.387 1
2 453 . 5 1 1 A 60 60 ARG HA H 672 3.886 3.920 -0.034 1
2 461 . 5 1 1 A 60 60 ARG N N 672 122.229 120.817 1.412 1
2 463 . 5 1 1 A 61 61 ALA H H 673 7.940 7.719 0.221 1
2 464 . 5 1 1 A 61 61 ALA HA H 673 3.826 4.164 -0.338 1
2 468 . 5 1 1 A 61 61 ALA N N 673 121.414 120.492 0.922 1
2 469 . 5 1 1 A 62 62 GLU H H 674 7.610 7.898 -0.288 1
2 470 . 5 1 1 A 62 62 GLU HA H 674 4.034 4.022 0.012 1
2 475 . 5 1 1 A 62 62 GLU N N 674 116.930 118.009 -1.079 1
2 476 . 5 1 1 A 63 63 GLU H H 675 7.844 7.762 0.082 1
2 477 . 5 1 1 A 63 63 GLU HA H 675 3.996 4.095 -0.099 1
2 481 . 5 1 1 A 63 63 GLU N N 675 119.783 119.958 -0.175 1
2 482 . 5 1 1 A 64 64 GLU H H 676 8.262 8.587 -0.325 1
2 483 . 5 1 1 A 64 64 GLU HA H 676 4.026 4.142 -0.116 1
2 488 . 5 1 1 A 64 64 GLU N N 676 119.579 120.409 -0.830 1
2 489 . 5 1 1 A 65 65 ARG H H 677 7.902 8.420 -0.518 1
2 490 . 5 1 1 A 65 65 ARG HA H 677 4.104 4.043 0.061 1
2 496 . 5 1 1 A 65 65 ARG N N 677 118.968 119.991 -1.023 1
2 497 . 5 1 1 A 66 66 ARG H H 678 7.801 7.984 -0.183 1
2 498 . 5 1 1 A 66 66 ARG HA H 678 4.099 4.041 0.058 1
2 503 . 5 1 1 A 66 66 ARG N N 678 119.783 118.112 1.671 1
2 504 . 5 1 1 A 67 67 GLU H H 679 8.097 7.606 0.491 1
2 505 . 5 1 1 A 67 67 GLU HA H 679 4.118 4.362 -0.244 1
2 509 . 5 1 1 A 67 67 GLU N N 679 120.395 117.699 2.696 1
2 510 . 5 1 1 A 68 68 LYS H H 680 8.060 8.228 -0.168 1
2 511 . 5 1 1 A 68 68 LYS HA H 680 4.181 4.530 -0.349 1
2 515 . 5 1 1 A 68 68 LYS N N 680 121.210 119.572 1.638 1
2 516 . 5 1 1 A 69 69 LYS H H 681 8.129 8.183 -0.054 1
2 517 . 5 1 1 A 69 69 LYS HA H 681 4.208 3.916 0.292 1
2 521 . 5 1 1 A 69 69 LYS N N 681 121.821 124.434 -2.613 1
2 522 . 5 1 1 A 70 70 ASN H H 682 8.333 7.785 0.548 1
2 523 . 5 1 1 A 70 70 ASN HA H 682 4.641 4.862 -0.221 1
2 528 . 5 1 1 A 70 70 ASN N N 682 119.783 114.756 5.027 1
2 1 . 6 1 1 A 2 2 ALA HA H 614 4.300 3.883 0.417 1
2 5 . 6 1 1 A 3 3 MET H H 615 8.561 7.728 0.833 1
2 6 . 6 1 1 A 3 3 MET HA H 615 4.395 5.054 -0.659 1
2 8 . 6 1 1 A 3 3 MET N N 615 120.395 116.410 3.985 1
2 9 . 6 1 1 A 4 4 GLY H H 616 8.499 8.822 -0.323 1
2 10 . 6 1 1 A 4 4 GLY HA2 H 616 3.972 4.224 -0.252 1
2 11 . 6 1 1 A 4 4 GLY N N 616 110.000 112.854 -2.854 1
2 12 . 6 1 1 A 5 5 SER H H 617 8.467 8.895 -0.428 1
2 13 . 6 1 1 A 5 5 SER HA H 617 4.362 4.580 -0.218 1
2 16 . 6 1 1 A 5 5 SER N N 617 117.949 115.204 2.745 1
2 17 . 6 1 1 A 6 6 LEU H H 618 8.786 8.112 0.674 1
2 18 . 6 1 1 A 6 6 LEU HA H 618 3.944 4.201 -0.257 1
2 27 . 6 1 1 A 6 6 LEU N N 618 124.471 121.579 2.892 1
2 28 . 6 1 1 A 7 7 GLU H H 619 8.702 8.324 0.378 1
2 29 . 6 1 1 A 7 7 GLU HA H 619 3.839 4.075 -0.236 1
2 33 . 6 1 1 A 7 7 GLU N N 619 118.153 117.065 1.088 1
2 34 . 6 1 1 A 8 8 ALA H H 620 7.933 8.301 -0.368 1
2 35 . 6 1 1 A 8 8 ALA HA H 620 4.131 4.095 0.036 1
2 39 . 6 1 1 A 8 8 ALA N N 620 123.248 122.212 1.036 1
2 40 . 6 1 1 A 9 9 ARG H H 621 8.371 7.978 0.393 1
2 41 . 6 1 1 A 9 9 ARG HA H 621 4.047 4.136 -0.089 1
2 49 . 6 1 1 A 9 9 ARG N N 621 120.395 119.185 1.210 1
2 51 . 6 1 1 A 10 10 MET H H 622 8.967 8.133 0.834 1
2 52 . 6 1 1 A 10 10 MET HA H 622 3.954 4.397 -0.443 1
2 56 . 6 1 1 A 10 10 MET N N 622 118.764 118.050 0.714 1
2 57 . 6 1 1 A 11 11 LYS H H 623 7.750 7.809 -0.059 1
2 58 . 6 1 1 A 11 11 LYS HA H 623 4.009 4.174 -0.165 1
2 61 . 6 1 1 A 11 11 LYS N N 623 120.802 120.852 -0.050 1
2 62 . 6 1 1 A 12 12 GLN H H 624 7.812 8.342 -0.530 1
2 63 . 6 1 1 A 12 12 GLN HA H 624 4.113 4.184 -0.071 1
2 70 . 6 1 1 A 12 12 GLN N N 624 117.541 118.260 -0.719 1
2 72 . 6 1 1 A 13 13 PHE H H 625 8.268 8.085 0.183 1
2 73 . 6 1 1 A 13 13 PHE HA H 625 3.813 4.158 -0.345 1
2 81 . 6 1 1 A 13 13 PHE N N 625 120.395 122.853 -2.458 1
2 82 . 6 1 1 A 14 14 LYS H H 626 8.510 8.211 0.299 1
2 83 . 6 1 1 A 14 14 LYS HA H 626 3.637 3.959 -0.322 1
2 89 . 6 1 1 A 14 14 LYS N N 626 120.395 119.255 1.140 1
2 90 . 6 1 1 A 15 15 ASP H H 627 8.594 8.229 0.365 1
2 91 . 6 1 1 A 15 15 ASP HA H 627 4.299 4.368 -0.069 1
2 94 . 6 1 1 A 15 15 ASP N N 627 120.851 119.787 1.064 1
2 95 . 6 1 1 A 16 16 MET H H 628 7.744 7.752 -0.008 1
2 96 . 6 1 1 A 16 16 MET HA H 628 3.651 4.095 -0.444 1
2 104 . 6 1 1 A 16 16 MET N N 628 121.210 118.731 2.479 1
2 105 . 6 1 1 A 17 17 LEU H H 629 7.527 7.937 -0.410 1
2 106 . 6 1 1 A 17 17 LEU HA H 629 3.334 3.822 -0.488 1
2 115 . 6 1 1 A 17 17 LEU N N 629 118.153 118.384 -0.231 1
2 116 . 6 1 1 A 18 18 LEU H H 630 6.955 7.722 -0.767 1
2 117 . 6 1 1 A 18 18 LEU HA H 630 4.358 4.442 -0.084 1
2 126 . 6 1 1 A 18 18 LEU N N 630 117.083 119.917 -2.834 1
2 127 . 6 1 1 A 19 19 GLU H H 631 8.530 7.951 0.579 1
2 128 . 6 1 1 A 19 19 GLU HA H 631 3.868 4.040 -0.172 1
2 133 . 6 1 1 A 19 19 GLU N N 631 121.414 118.680 2.734 1
2 134 . 6 1 1 A 20 20 ARG H H 632 8.374 7.539 0.835 1
2 135 . 6 1 1 A 20 20 ARG HA H 632 4.278 4.359 -0.081 1
2 142 . 6 1 1 A 20 20 ARG N N 632 113.465 116.768 -3.303 1
2 144 . 6 1 1 A 21 21 GLY H H 633 7.675 7.875 -0.200 1
2 145 . 6 1 1 A 21 21 GLY HA2 H 633 3.837 3.915 -0.078 1
2 146 . 6 1 1 A 21 21 GLY N N 633 107.554 108.584 -1.030 1
2 147 . 6 1 1 A 22 22 VAL H H 634 8.096 8.028 0.068 1
2 148 . 6 1 1 A 22 22 VAL HA H 634 3.806 4.566 -0.760 1
2 156 . 6 1 1 A 22 22 VAL N N 634 121.414 119.517 1.897 1
2 157 . 6 1 1 A 23 23 SER H H 635 9.014 8.451 0.563 1
2 158 . 6 1 1 A 23 23 SER HA H 635 4.494 3.968 0.526 1
2 161 . 6 1 1 A 23 23 SER N N 635 126.509 121.696 4.813 1
2 162 . 6 1 1 A 24 24 ALA H H 636 8.919 8.215 0.704 1
2 163 . 6 1 1 A 24 24 ALA HA H 636 4.000 3.841 0.159 1
2 167 . 6 1 1 A 24 24 ALA N N 636 126.713 130.708 -3.995 1
2 168 . 6 1 1 A 25 25 PHE H H 637 8.120 6.619 1.501 1
2 169 . 6 1 1 A 25 25 PHE HA H 637 4.734 4.831 -0.097 1
2 176 . 6 1 1 A 25 25 PHE N N 637 117.541 111.507 6.034 1
2 177 . 6 1 1 A 26 26 SER H H 638 7.795 8.431 -0.636 1
2 178 . 6 1 1 A 26 26 SER HA H 638 4.829 5.192 -0.363 1
2 181 . 6 1 1 A 26 26 SER N N 638 117.133 113.116 4.017 1
2 182 . 6 1 1 A 27 27 THR H H 639 8.880 8.478 0.402 1
2 183 . 6 1 1 A 27 27 THR HA H 639 4.935 4.935 0.000 1
2 188 . 6 1 1 A 27 27 THR N N 639 111.426 114.269 -2.843 1
2 189 . 6 1 1 A 28 28 TRP H H 640 9.317 9.349 -0.032 1
2 190 . 6 1 1 A 28 28 TRP HA H 640 3.558 4.011 -0.453 1
2 197 . 6 1 1 A 28 28 TRP N N 640 123.452 130.001 -6.549 1
2 199 . 6 1 1 A 29 29 GLU H H 641 8.823 7.908 0.915 1
2 200 . 6 1 1 A 29 29 GLU HA H 641 3.576 3.924 -0.348 1
2 203 . 6 1 1 A 29 29 GLU N N 641 113.668 117.732 -4.064 1
2 204 . 6 1 1 A 30 30 LYS H H 642 7.661 7.422 0.239 1
2 205 . 6 1 1 A 30 30 LYS HA H 642 4.125 4.126 -0.001 1
2 211 . 6 1 1 A 30 30 LYS N N 642 118.560 120.191 -1.631 1
2 212 . 6 1 1 A 31 31 GLU H H 643 7.735 7.678 0.057 1
2 213 . 6 1 1 A 31 31 GLU HA H 643 4.049 3.867 0.182 1
2 218 . 6 1 1 A 31 31 GLU N N 643 115.503 119.828 -4.325 1
2 219 . 6 1 1 A 32 32 LEU H H 644 7.210 7.341 -0.131 1
2 220 . 6 1 1 A 32 32 LEU HA H 644 3.144 3.287 -0.143 1
2 230 . 6 1 1 A 32 32 LEU N N 644 121.210 122.228 -1.018 1
2 231 . 6 1 1 A 33 33 HIS H H 645 8.465 7.906 0.559 1
2 232 . 6 1 1 A 33 33 HIS HA H 645 4.011 4.078 -0.067 1
2 236 . 6 1 1 A 33 33 HIS N N 645 114.280 116.780 -2.500 1
2 237 . 6 1 1 A 34 34 LYS H H 646 7.426 7.006 0.420 1
2 238 . 6 1 1 A 34 34 LYS HA H 646 3.808 3.767 0.041 1
2 244 . 6 1 1 A 34 34 LYS N N 646 117.541 120.792 -3.251 1
2 245 . 6 1 1 A 35 35 ILE H H 647 7.152 7.262 -0.110 1
2 246 . 6 1 1 A 35 35 ILE HA H 647 4.159 4.143 0.016 1
2 254 . 6 1 1 A 35 35 ILE N N 647 132.013 113.899 18.114 1
2 255 . 6 1 1 A 36 36 VAL H H 648 6.893 8.035 -1.142 1
2 256 . 6 1 1 A 36 36 VAL HA H 648 2.232 3.229 -0.997 1
2 264 . 6 1 1 A 36 36 VAL N N 648 118.886 121.293 -2.407 1
2 265 . 6 1 1 A 37 37 PHE H H 649 7.244 7.672 -0.428 1
2 266 . 6 1 1 A 37 37 PHE HA H 649 4.629 4.172 0.457 1
2 271 . 6 1 1 A 37 37 PHE N N 649 115.707 121.312 -5.605 1
2 272 . 6 1 1 A 38 38 ASP H H 650 7.523 7.336 0.187 1
2 273 . 6 1 1 A 38 38 ASP HA H 650 4.699 4.866 -0.167 1
2 276 . 6 1 1 A 38 38 ASP N N 650 127.325 119.768 7.557 1
2 277 . 6 1 1 A 39 39 PRO HA H 651 4.268 4.487 -0.219 1
2 283 . 6 1 1 A 40 40 ARG H H 652 9.450 8.829 0.621 1
2 284 . 6 1 1 A 40 40 ARG HA H 652 3.979 4.158 -0.179 1
2 292 . 6 1 1 A 40 40 ARG N N 652 118.153 116.978 1.175 1
2 294 . 6 1 1 A 41 41 TYR H H 653 8.314 8.093 0.221 1
2 295 . 6 1 1 A 41 41 TYR HA H 653 4.158 3.791 0.367 1
2 300 . 6 1 1 A 41 41 TYR N N 653 121.006 121.033 -0.027 1
2 301 . 6 1 1 A 42 42 LEU H H 654 6.988 7.724 -0.736 1
2 302 . 6 1 1 A 42 42 LEU HA H 654 4.092 4.408 -0.316 1
2 311 . 6 1 1 A 42 42 LEU N N 654 111.630 118.841 -7.211 1
2 312 . 6 1 1 A 43 43 LEU H H 655 7.483 7.722 -0.239 1
2 313 . 6 1 1 A 43 43 LEU HA H 655 4.044 4.254 -0.210 1
2 323 . 6 1 1 A 43 43 LEU N N 655 116.726 119.679 -2.953 1
2 324 . 6 1 1 A 44 44 LEU H H 656 6.517 7.956 -1.439 1
2 325 . 6 1 1 A 44 44 LEU HA H 656 4.569 4.313 0.256 1
2 335 . 6 1 1 A 44 44 LEU N N 656 114.076 119.355 -5.279 1
2 336 . 6 1 1 A 45 45 ASN H H 657 8.807 8.688 0.119 1
2 337 . 6 1 1 A 45 45 ASN HA H 657 4.677 5.076 -0.399 1
2 342 . 6 1 1 A 45 45 ASN N N 657 119.783 118.403 1.380 1
2 347 . 6 1 1 A 47 47 LYS H H 659 7.926 8.187 -0.261 1
2 348 . 6 1 1 A 47 47 LYS HA H 659 3.801 4.154 -0.353 1
2 353 . 6 1 1 A 47 47 LYS N N 659 118.599 117.116 1.483 1
2 354 . 6 1 1 A 48 48 GLU H H 660 7.923 8.243 -0.320 1
2 355 . 6 1 1 A 48 48 GLU HA H 660 3.777 4.081 -0.304 1
2 360 . 6 1 1 A 48 48 GLU N N 660 121.210 118.956 2.254 1
2 361 . 6 1 1 A 49 49 ARG H H 661 8.416 7.875 0.541 1
2 362 . 6 1 1 A 49 49 ARG HA H 661 3.778 3.810 -0.032 1
2 368 . 6 1 1 A 49 49 ARG N N 661 117.337 121.285 -3.948 1
2 370 . 6 1 1 A 50 50 LYS H H 662 6.760 7.759 -0.999 1
2 371 . 6 1 1 A 50 50 LYS HA H 662 3.431 3.937 -0.506 1
2 377 . 6 1 1 A 50 50 LYS N N 662 116.592 119.170 -2.578 1
2 378 . 6 1 1 A 51 51 GLN H H 663 7.503 7.798 -0.295 1
2 379 . 6 1 1 A 51 51 GLN HA H 663 4.010 4.064 -0.054 1
2 385 . 6 1 1 A 51 51 GLN N N 663 118.560 117.312 1.248 1
2 387 . 6 1 1 A 52 52 VAL H H 664 8.035 7.524 0.511 1
2 388 . 6 1 1 A 52 52 VAL HA H 664 3.653 3.605 0.048 1
2 396 . 6 1 1 A 52 52 VAL N N 664 119.172 121.322 -2.150 1
2 397 . 6 1 1 A 53 53 PHE H H 665 8.740 8.452 0.288 1
2 398 . 6 1 1 A 53 53 PHE HA H 665 4.217 4.276 -0.059 1
2 403 . 6 1 1 A 53 53 PHE N N 665 122.433 120.622 1.811 1
2 404 . 6 1 1 A 54 54 ASP H H 666 9.001 8.184 0.817 1
2 405 . 6 1 1 A 54 54 ASP HA H 666 4.262 3.986 0.276 1
2 408 . 6 1 1 A 54 54 ASP N N 666 119.172 119.311 -0.139 1
2 409 . 6 1 1 A 55 55 GLN H H 667 7.616 8.330 -0.714 1
2 410 . 6 1 1 A 55 55 GLN HA H 667 4.026 3.998 0.028 1
2 416 . 6 1 1 A 55 55 GLN N N 667 119.769 118.474 1.295 1
2 418 . 6 1 1 A 56 56 TYR H H 668 8.520 7.889 0.631 1
2 419 . 6 1 1 A 56 56 TYR HA H 668 4.105 4.174 -0.069 1
2 426 . 6 1 1 A 56 56 TYR N N 668 123.860 122.942 0.918 1
2 427 . 6 1 1 A 57 57 VAL H H 669 8.517 8.078 0.439 1
2 428 . 6 1 1 A 57 57 VAL HA H 669 3.085 3.585 -0.500 1
2 436 . 6 1 1 A 57 57 VAL N N 669 118.153 118.913 -0.760 1
2 437 . 6 1 1 A 58 58 LYS H H 670 7.393 7.838 -0.445 1
2 438 . 6 1 1 A 58 58 LYS HA H 670 4.022 4.061 -0.039 1
2 444 . 6 1 1 A 58 58 LYS N N 670 118.968 121.764 -2.796 1
2 445 . 6 1 1 A 59 59 THR H H 671 7.971 7.755 0.216 1
2 446 . 6 1 1 A 59 59 THR HA H 671 3.965 3.890 0.075 1
2 451 . 6 1 1 A 59 59 THR N N 671 113.668 113.522 0.146 1
2 452 . 6 1 1 A 60 60 ARG H H 672 8.248 7.934 0.314 1
2 453 . 6 1 1 A 60 60 ARG HA H 672 3.886 3.899 -0.013 1
2 461 . 6 1 1 A 60 60 ARG N N 672 122.229 121.090 1.139 1
2 463 . 6 1 1 A 61 61 ALA H H 673 7.940 7.823 0.117 1
2 464 . 6 1 1 A 61 61 ALA HA H 673 3.826 4.125 -0.299 1
2 468 . 6 1 1 A 61 61 ALA N N 673 121.414 120.758 0.656 1
2 469 . 6 1 1 A 62 62 GLU H H 674 7.610 8.086 -0.476 1
2 470 . 6 1 1 A 62 62 GLU HA H 674 4.034 4.005 0.029 1
2 475 . 6 1 1 A 62 62 GLU N N 674 116.930 117.841 -0.911 1
2 476 . 6 1 1 A 63 63 GLU H H 675 7.844 8.131 -0.287 1
2 477 . 6 1 1 A 63 63 GLU HA H 675 3.996 4.053 -0.057 1
2 481 . 6 1 1 A 63 63 GLU N N 675 119.783 118.760 1.023 1
2 482 . 6 1 1 A 64 64 GLU H H 676 8.262 8.469 -0.207 1
2 483 . 6 1 1 A 64 64 GLU HA H 676 4.026 4.166 -0.140 1
2 488 . 6 1 1 A 64 64 GLU N N 676 119.579 118.275 1.304 1
2 489 . 6 1 1 A 65 65 ARG H H 677 7.902 8.087 -0.185 1
2 490 . 6 1 1 A 65 65 ARG HA H 677 4.104 4.227 -0.123 1
2 496 . 6 1 1 A 65 65 ARG N N 677 118.968 120.772 -1.804 1
2 497 . 6 1 1 A 66 66 ARG H H 678 7.801 7.710 0.091 1
2 498 . 6 1 1 A 66 66 ARG HA H 678 4.099 4.326 -0.227 1
2 503 . 6 1 1 A 66 66 ARG N N 678 119.783 117.615 2.168 1
2 504 . 6 1 1 A 67 67 GLU H H 679 8.097 7.851 0.246 1
2 505 . 6 1 1 A 67 67 GLU HA H 679 4.118 4.296 -0.178 1
2 509 . 6 1 1 A 67 67 GLU N N 679 120.395 119.029 1.366 1
2 510 . 6 1 1 A 68 68 LYS H H 680 8.060 8.141 -0.081 1
2 511 . 6 1 1 A 68 68 LYS HA H 680 4.181 4.379 -0.198 1
2 515 . 6 1 1 A 68 68 LYS N N 680 121.210 118.565 2.645 1
2 516 . 6 1 1 A 69 69 LYS H H 681 8.129 8.103 0.026 1
2 517 . 6 1 1 A 69 69 LYS HA H 681 4.208 4.601 -0.393 1
2 521 . 6 1 1 A 69 69 LYS N N 681 121.821 119.715 2.106 1
2 522 . 6 1 1 A 70 70 ASN H H 682 8.333 8.646 -0.313 1
2 523 . 6 1 1 A 70 70 ASN HA H 682 4.641 4.812 -0.171 1
2 528 . 6 1 1 A 70 70 ASN N N 682 119.783 121.706 -1.923 1
2 1 . 7 1 1 A 2 2 ALA HA H 614 4.300 3.927 0.373 1
2 5 . 7 1 1 A 3 3 MET H H 615 8.561 8.031 0.530 1
2 6 . 7 1 1 A 3 3 MET HA H 615 4.395 4.685 -0.290 1
2 8 . 7 1 1 A 3 3 MET N N 615 120.395 116.968 3.427 1
2 9 . 7 1 1 A 4 4 GLY H H 616 8.499 8.427 0.072 1
2 10 . 7 1 1 A 4 4 GLY HA2 H 616 3.972 4.215 -0.243 1
2 11 . 7 1 1 A 4 4 GLY N N 616 110.000 109.406 0.594 1
2 12 . 7 1 1 A 5 5 SER H H 617 8.467 8.435 0.032 1
2 13 . 7 1 1 A 5 5 SER HA H 617 4.362 4.765 -0.403 1
2 16 . 7 1 1 A 5 5 SER N N 617 117.949 117.703 0.246 1
2 17 . 7 1 1 A 6 6 LEU H H 618 8.786 8.110 0.676 1
2 18 . 7 1 1 A 6 6 LEU HA H 618 3.944 4.042 -0.098 1
2 27 . 7 1 1 A 6 6 LEU N N 618 124.471 121.796 2.675 1
2 28 . 7 1 1 A 7 7 GLU H H 619 8.702 8.449 0.253 1
2 29 . 7 1 1 A 7 7 GLU HA H 619 3.839 3.992 -0.153 1
2 33 . 7 1 1 A 7 7 GLU N N 619 118.153 119.413 -1.260 1
2 34 . 7 1 1 A 8 8 ALA H H 620 7.933 8.352 -0.419 1
2 35 . 7 1 1 A 8 8 ALA HA H 620 4.131 4.068 0.063 1
2 39 . 7 1 1 A 8 8 ALA N N 620 123.248 122.649 0.599 1
2 40 . 7 1 1 A 9 9 ARG H H 621 8.371 7.499 0.872 1
2 41 . 7 1 1 A 9 9 ARG HA H 621 4.047 4.131 -0.084 1
2 49 . 7 1 1 A 9 9 ARG N N 621 120.395 119.258 1.137 1
2 51 . 7 1 1 A 10 10 MET H H 622 8.967 8.374 0.593 1
2 52 . 7 1 1 A 10 10 MET HA H 622 3.954 4.294 -0.340 1
2 56 . 7 1 1 A 10 10 MET N N 622 118.764 119.132 -0.368 1
2 57 . 7 1 1 A 11 11 LYS H H 623 7.750 7.667 0.083 1
2 58 . 7 1 1 A 11 11 LYS HA H 623 4.009 4.226 -0.217 1
2 61 . 7 1 1 A 11 11 LYS N N 623 120.802 119.605 1.197 1
2 62 . 7 1 1 A 12 12 GLN H H 624 7.812 8.721 -0.909 1
2 63 . 7 1 1 A 12 12 GLN HA H 624 4.113 4.332 -0.219 1
2 70 . 7 1 1 A 12 12 GLN N N 624 117.541 117.930 -0.389 1
2 72 . 7 1 1 A 13 13 PHE H H 625 8.268 8.115 0.153 1
2 73 . 7 1 1 A 13 13 PHE HA H 625 3.813 4.178 -0.365 1
2 81 . 7 1 1 A 13 13 PHE N N 625 120.395 121.776 -1.381 1
2 82 . 7 1 1 A 14 14 LYS H H 626 8.510 8.116 0.394 1
2 83 . 7 1 1 A 14 14 LYS HA H 626 3.637 3.879 -0.242 1
2 89 . 7 1 1 A 14 14 LYS N N 626 120.395 118.813 1.582 1
2 90 . 7 1 1 A 15 15 ASP H H 627 8.594 8.295 0.299 1
2 91 . 7 1 1 A 15 15 ASP HA H 627 4.299 4.405 -0.106 1
2 94 . 7 1 1 A 15 15 ASP N N 627 120.851 120.170 0.681 1
2 95 . 7 1 1 A 16 16 MET H H 628 7.744 7.797 -0.053 1
2 96 . 7 1 1 A 16 16 MET HA H 628 3.651 4.068 -0.417 1
2 104 . 7 1 1 A 16 16 MET N N 628 121.210 119.603 1.607 1
2 105 . 7 1 1 A 17 17 LEU H H 629 7.527 7.758 -0.231 1
2 106 . 7 1 1 A 17 17 LEU HA H 629 3.334 3.712 -0.378 1
2 115 . 7 1 1 A 17 17 LEU N N 629 118.153 119.035 -0.882 1
2 116 . 7 1 1 A 18 18 LEU H H 630 6.955 7.392 -0.437 1
2 117 . 7 1 1 A 18 18 LEU HA H 630 4.358 4.586 -0.228 1
2 126 . 7 1 1 A 18 18 LEU N N 630 117.083 119.761 -2.678 1
2 127 . 7 1 1 A 19 19 GLU H H 631 8.530 7.820 0.710 1
2 128 . 7 1 1 A 19 19 GLU HA H 631 3.868 4.001 -0.133 1
2 133 . 7 1 1 A 19 19 GLU N N 631 121.414 119.315 2.099 1
2 134 . 7 1 1 A 20 20 ARG H H 632 8.374 7.499 0.875 1
2 135 . 7 1 1 A 20 20 ARG HA H 632 4.278 4.343 -0.065 1
2 142 . 7 1 1 A 20 20 ARG N N 632 113.465 116.273 -2.808 1
2 144 . 7 1 1 A 21 21 GLY H H 633 7.675 7.782 -0.107 1
2 145 . 7 1 1 A 21 21 GLY HA2 H 633 3.837 3.920 -0.083 1
2 146 . 7 1 1 A 21 21 GLY N N 633 107.554 108.180 -0.626 1
2 147 . 7 1 1 A 22 22 VAL H H 634 8.096 8.138 -0.042 1
2 148 . 7 1 1 A 22 22 VAL HA H 634 3.806 4.131 -0.325 1
2 156 . 7 1 1 A 22 22 VAL N N 634 121.414 119.627 1.787 1
2 157 . 7 1 1 A 23 23 SER H H 635 9.014 8.626 0.388 1
2 158 . 7 1 1 A 23 23 SER HA H 635 4.494 3.956 0.538 1
2 161 . 7 1 1 A 23 23 SER N N 635 126.509 123.603 2.906 1
2 162 . 7 1 1 A 24 24 ALA H H 636 8.919 8.330 0.589 1
2 163 . 7 1 1 A 24 24 ALA HA H 636 4.000 3.911 0.089 1
2 167 . 7 1 1 A 24 24 ALA N N 636 126.713 130.513 -3.800 1
2 168 . 7 1 1 A 25 25 PHE H H 637 8.120 6.784 1.336 1
2 169 . 7 1 1 A 25 25 PHE HA H 637 4.734 4.839 -0.105 1
2 176 . 7 1 1 A 25 25 PHE N N 637 117.541 111.864 5.677 1
2 177 . 7 1 1 A 26 26 SER H H 638 7.795 8.115 -0.320 1
2 178 . 7 1 1 A 26 26 SER HA H 638 4.829 5.123 -0.294 1
2 181 . 7 1 1 A 26 26 SER N N 638 117.133 115.923 1.210 1
2 182 . 7 1 1 A 27 27 THR H H 639 8.880 8.418 0.462 1
2 183 . 7 1 1 A 27 27 THR HA H 639 4.935 4.715 0.220 1
2 188 . 7 1 1 A 27 27 THR N N 639 111.426 115.859 -4.433 1
2 189 . 7 1 1 A 28 28 TRP H H 640 9.317 9.293 0.024 1
2 190 . 7 1 1 A 28 28 TRP HA H 640 3.558 4.082 -0.524 1
2 197 . 7 1 1 A 28 28 TRP N N 640 123.452 130.434 -6.982 1
2 199 . 7 1 1 A 29 29 GLU H H 641 8.823 7.748 1.075 1
2 200 . 7 1 1 A 29 29 GLU HA H 641 3.576 4.103 -0.527 1
2 203 . 7 1 1 A 29 29 GLU N N 641 113.668 119.291 -5.623 1
2 204 . 7 1 1 A 30 30 LYS H H 642 7.661 7.593 0.068 1
2 205 . 7 1 1 A 30 30 LYS HA H 642 4.125 4.134 -0.009 1
2 211 . 7 1 1 A 30 30 LYS N N 642 118.560 119.424 -0.864 1
2 212 . 7 1 1 A 31 31 GLU H H 643 7.735 7.736 -0.001 1
2 213 . 7 1 1 A 31 31 GLU HA H 643 4.049 3.774 0.275 1
2 218 . 7 1 1 A 31 31 GLU N N 643 115.503 120.296 -4.793 1
2 219 . 7 1 1 A 32 32 LEU H H 644 7.210 7.611 -0.401 1
2 220 . 7 1 1 A 32 32 LEU HA H 644 3.144 3.280 -0.136 1
2 230 . 7 1 1 A 32 32 LEU N N 644 121.210 120.843 0.367 1
2 231 . 7 1 1 A 33 33 HIS H H 645 8.465 7.878 0.587 1
2 232 . 7 1 1 A 33 33 HIS HA H 645 4.011 4.175 -0.164 1
2 236 . 7 1 1 A 33 33 HIS N N 645 114.280 116.718 -2.438 1
2 237 . 7 1 1 A 34 34 LYS H H 646 7.426 6.946 0.480 1
2 238 . 7 1 1 A 34 34 LYS HA H 646 3.808 3.713 0.095 1
2 244 . 7 1 1 A 34 34 LYS N N 646 117.541 120.821 -3.280 1
2 245 . 7 1 1 A 35 35 ILE H H 647 7.152 7.654 -0.502 1
2 246 . 7 1 1 A 35 35 ILE HA H 647 4.159 4.186 -0.027 1
2 254 . 7 1 1 A 35 35 ILE N N 647 132.013 116.361 15.652 1
2 255 . 7 1 1 A 36 36 VAL H H 648 6.893 8.302 -1.409 1
2 256 . 7 1 1 A 36 36 VAL HA H 648 2.232 3.680 -1.448 1
2 264 . 7 1 1 A 36 36 VAL N N 648 118.886 118.248 0.638 1
2 265 . 7 1 1 A 37 37 PHE H H 649 7.244 8.068 -0.824 1
2 266 . 7 1 1 A 37 37 PHE HA H 649 4.629 4.358 0.271 1
2 271 . 7 1 1 A 37 37 PHE N N 649 115.707 117.121 -1.414 1
2 272 . 7 1 1 A 38 38 ASP H H 650 7.523 8.059 -0.536 1
2 273 . 7 1 1 A 38 38 ASP HA H 650 4.699 4.595 0.104 1
2 276 . 7 1 1 A 38 38 ASP N N 650 127.325 120.914 6.411 1
2 277 . 7 1 1 A 39 39 PRO HA H 651 4.268 4.508 -0.240 1
2 283 . 7 1 1 A 40 40 ARG H H 652 9.450 8.428 1.022 1
2 284 . 7 1 1 A 40 40 ARG HA H 652 3.979 4.183 -0.204 1
2 292 . 7 1 1 A 40 40 ARG N N 652 118.153 118.037 0.116 1
2 294 . 7 1 1 A 41 41 TYR H H 653 8.314 8.080 0.234 1
2 295 . 7 1 1 A 41 41 TYR HA H 653 4.158 4.242 -0.084 1
2 300 . 7 1 1 A 41 41 TYR N N 653 121.006 121.940 -0.934 1
2 301 . 7 1 1 A 42 42 LEU H H 654 6.988 7.551 -0.563 1
2 302 . 7 1 1 A 42 42 LEU HA H 654 4.092 4.510 -0.418 1
2 311 . 7 1 1 A 42 42 LEU N N 654 111.630 118.974 -7.344 1
2 312 . 7 1 1 A 43 43 LEU H H 655 7.483 7.543 -0.060 1
2 313 . 7 1 1 A 43 43 LEU HA H 655 4.044 4.261 -0.217 1
2 323 . 7 1 1 A 43 43 LEU N N 655 116.726 119.393 -2.667 1
2 324 . 7 1 1 A 44 44 LEU H H 656 6.517 7.572 -1.055 1
2 325 . 7 1 1 A 44 44 LEU HA H 656 4.569 4.194 0.375 1
2 335 . 7 1 1 A 44 44 LEU N N 656 114.076 118.480 -4.404 1
2 336 . 7 1 1 A 45 45 ASN H H 657 8.807 8.870 -0.063 1
2 337 . 7 1 1 A 45 45 ASN HA H 657 4.677 4.978 -0.301 1
2 342 . 7 1 1 A 45 45 ASN N N 657 119.783 119.545 0.238 1
2 347 . 7 1 1 A 47 47 LYS H H 659 7.926 7.865 0.061 1
2 348 . 7 1 1 A 47 47 LYS HA H 659 3.801 4.149 -0.348 1
2 353 . 7 1 1 A 47 47 LYS N N 659 118.599 118.345 0.254 1
2 354 . 7 1 1 A 48 48 GLU H H 660 7.923 8.251 -0.328 1
2 355 . 7 1 1 A 48 48 GLU HA H 660 3.777 4.038 -0.261 1
2 360 . 7 1 1 A 48 48 GLU N N 660 121.210 118.157 3.053 1
2 361 . 7 1 1 A 49 49 ARG H H 661 8.416 7.977 0.439 1
2 362 . 7 1 1 A 49 49 ARG HA H 661 3.778 3.910 -0.132 1
2 368 . 7 1 1 A 49 49 ARG N N 661 117.337 119.960 -2.623 1
2 370 . 7 1 1 A 50 50 LYS H H 662 6.760 7.967 -1.207 1
2 371 . 7 1 1 A 50 50 LYS HA H 662 3.431 3.894 -0.463 1
2 377 . 7 1 1 A 50 50 LYS N N 662 116.592 120.341 -3.749 1
2 378 . 7 1 1 A 51 51 GLN H H 663 7.503 7.936 -0.433 1
2 379 . 7 1 1 A 51 51 GLN HA H 663 4.010 4.105 -0.095 1
2 385 . 7 1 1 A 51 51 GLN N N 663 118.560 117.224 1.336 1
2 387 . 7 1 1 A 52 52 VAL H H 664 8.035 7.838 0.197 1
2 388 . 7 1 1 A 52 52 VAL HA H 664 3.653 3.778 -0.125 1
2 396 . 7 1 1 A 52 52 VAL N N 664 119.172 121.177 -2.005 1
2 397 . 7 1 1 A 53 53 PHE H H 665 8.740 8.018 0.722 1
2 398 . 7 1 1 A 53 53 PHE HA H 665 4.217 4.366 -0.149 1
2 403 . 7 1 1 A 53 53 PHE N N 665 122.433 121.047 1.386 1
2 404 . 7 1 1 A 54 54 ASP H H 666 9.001 8.256 0.745 1
2 405 . 7 1 1 A 54 54 ASP HA H 666 4.262 4.079 0.183 1
2 408 . 7 1 1 A 54 54 ASP N N 666 119.172 119.451 -0.279 1
2 409 . 7 1 1 A 55 55 GLN H H 667 7.616 8.008 -0.392 1
2 410 . 7 1 1 A 55 55 GLN HA H 667 4.026 4.095 -0.069 1
2 416 . 7 1 1 A 55 55 GLN N N 667 119.769 117.920 1.849 1
2 418 . 7 1 1 A 56 56 TYR H H 668 8.520 7.990 0.530 1
2 419 . 7 1 1 A 56 56 TYR HA H 668 4.105 4.217 -0.112 1
2 426 . 7 1 1 A 56 56 TYR N N 668 123.860 123.010 0.850 1
2 427 . 7 1 1 A 57 57 VAL H H 669 8.517 8.178 0.339 1
2 428 . 7 1 1 A 57 57 VAL HA H 669 3.085 3.633 -0.548 1
2 436 . 7 1 1 A 57 57 VAL N N 669 118.153 118.949 -0.796 1
2 437 . 7 1 1 A 58 58 LYS H H 670 7.393 7.594 -0.201 1
2 438 . 7 1 1 A 58 58 LYS HA H 670 4.022 4.031 -0.009 1
2 444 . 7 1 1 A 58 58 LYS N N 670 118.968 121.408 -2.440 1
2 445 . 7 1 1 A 59 59 THR H H 671 7.971 7.523 0.448 1
2 446 . 7 1 1 A 59 59 THR HA H 671 3.965 3.919 0.046 1
2 451 . 7 1 1 A 59 59 THR N N 671 113.668 113.946 -0.278 1
2 452 . 7 1 1 A 60 60 ARG H H 672 8.248 8.091 0.157 1
2 453 . 7 1 1 A 60 60 ARG HA H 672 3.886 3.770 0.116 1
2 461 . 7 1 1 A 60 60 ARG N N 672 122.229 120.469 1.760 1
2 463 . 7 1 1 A 61 61 ALA H H 673 7.940 7.624 0.316 1
2 464 . 7 1 1 A 61 61 ALA HA H 673 3.826 4.101 -0.275 1
2 468 . 7 1 1 A 61 61 ALA N N 673 121.414 120.450 0.964 1
2 469 . 7 1 1 A 62 62 GLU H H 674 7.610 7.777 -0.167 1
2 470 . 7 1 1 A 62 62 GLU HA H 674 4.034 4.001 0.033 1
2 475 . 7 1 1 A 62 62 GLU N N 674 116.930 117.895 -0.965 1
2 476 . 7 1 1 A 63 63 GLU H H 675 7.844 7.511 0.333 1
2 477 . 7 1 1 A 63 63 GLU HA H 675 3.996 4.181 -0.185 1
2 481 . 7 1 1 A 63 63 GLU N N 675 119.783 119.215 0.568 1
2 482 . 7 1 1 A 64 64 GLU H H 676 8.262 8.813 -0.551 1
2 483 . 7 1 1 A 64 64 GLU HA H 676 4.026 4.198 -0.172 1
2 488 . 7 1 1 A 64 64 GLU N N 676 119.579 118.252 1.327 1
2 489 . 7 1 1 A 65 65 ARG H H 677 7.902 7.985 -0.083 1
2 490 . 7 1 1 A 65 65 ARG HA H 677 4.104 4.286 -0.182 1
2 496 . 7 1 1 A 65 65 ARG N N 677 118.968 120.424 -1.456 1
2 497 . 7 1 1 A 66 66 ARG H H 678 7.801 7.868 -0.067 1
2 498 . 7 1 1 A 66 66 ARG HA H 678 4.099 4.106 -0.007 1
2 503 . 7 1 1 A 66 66 ARG N N 678 119.783 118.275 1.508 1
2 504 . 7 1 1 A 67 67 GLU H H 679 8.097 7.603 0.494 1
2 505 . 7 1 1 A 67 67 GLU HA H 679 4.118 4.458 -0.340 1
2 509 . 7 1 1 A 67 67 GLU N N 679 120.395 117.591 2.804 1
2 510 . 7 1 1 A 68 68 LYS H H 680 8.060 8.182 -0.122 1
2 511 . 7 1 1 A 68 68 LYS HA H 680 4.181 4.434 -0.253 1
2 515 . 7 1 1 A 68 68 LYS N N 680 121.210 119.396 1.814 1
2 516 . 7 1 1 A 69 69 LYS H H 681 8.129 8.485 -0.356 1
2 517 . 7 1 1 A 69 69 LYS HA H 681 4.208 3.884 0.324 1
2 521 . 7 1 1 A 69 69 LYS N N 681 121.821 125.381 -3.560 1
2 522 . 7 1 1 A 70 70 ASN H H 682 8.333 9.183 -0.850 1
2 523 . 7 1 1 A 70 70 ASN HA H 682 4.641 4.201 0.440 1
2 528 . 7 1 1 A 70 70 ASN N N 682 119.783 124.781 -4.998 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 67 1.322 1
3 1 1 1 "RMS(OBS, PRED)" CB 67 1.311 1
4 1 1 1 "RMS(OBS, PRED)" H 67 0.512 1
5 1 1 1 "RMS(OBS, PRED)" HA 69 0.309 1
6 1 1 1 "RMS(OBS, PRED)" N 0 0.000 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 67 1.360 1
9 1 2 1 "RMS(OBS, PRED)" CB 67 1.294 1
10 1 2 1 "RMS(OBS, PRED)" H 67 0.527 1
11 1 2 1 "RMS(OBS, PRED)" HA 69 0.329 1
12 1 2 1 "RMS(OBS, PRED)" N 0 0.000 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 67 1.306 1
15 1 3 1 "RMS(OBS, PRED)" CB 67 1.277 1
16 1 3 1 "RMS(OBS, PRED)" H 67 0.541 1
17 1 3 1 "RMS(OBS, PRED)" HA 69 0.315 1
18 1 3 1 "RMS(OBS, PRED)" N 0 0.000 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 67 1.326 1
21 1 4 1 "RMS(OBS, PRED)" CB 67 1.415 1
22 1 4 1 "RMS(OBS, PRED)" H 67 0.521 1
23 1 4 1 "RMS(OBS, PRED)" HA 69 0.337 1
24 1 4 1 "RMS(OBS, PRED)" N 0 0.000 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 67 1.392 1
27 1 5 1 "RMS(OBS, PRED)" CB 67 1.265 1
28 1 5 1 "RMS(OBS, PRED)" H 67 0.532 1
29 1 5 1 "RMS(OBS, PRED)" HA 69 0.304 1
30 1 5 1 "RMS(OBS, PRED)" N 0 0.000 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 67 1.274 1
33 1 6 1 "RMS(OBS, PRED)" CB 67 1.270 1
34 1 6 1 "RMS(OBS, PRED)" H 67 0.545 1
35 1 6 1 "RMS(OBS, PRED)" HA 69 0.311 1
36 1 6 1 "RMS(OBS, PRED)" N 0 0.000 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 67 1.165 1
39 1 7 1 "RMS(OBS, PRED)" CB 67 1.363 1
40 1 7 1 "RMS(OBS, PRED)" H 67 0.563 1
41 1 7 1 "RMS(OBS, PRED)" HA 69 0.322 1
42 1 7 1 "RMS(OBS, PRED)" N 0 0.000 1
43 2 1 1 "RMS(OBS, PRED)" C 0 0.000 1
44 2 1 1 "RMS(OBS, PRED)" CA 0 0.000 1
45 2 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 2 1 1 "RMS(OBS, PRED)" H 66 0.512 1
47 2 1 1 "RMS(OBS, PRED)" HA 68 0.302 1
48 2 1 1 "RMS(OBS, PRED)" N 66 3.833 1
49 2 2 1 "RMS(OBS, PRED)" C 0 0.000 1
50 2 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 2 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 2 2 1 "RMS(OBS, PRED)" H 66 0.513 1
53 2 2 1 "RMS(OBS, PRED)" HA 68 0.324 1
54 2 2 1 "RMS(OBS, PRED)" N 66 3.643 1
55 2 3 1 "RMS(OBS, PRED)" C 0 0.000 1
56 2 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
57 2 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
58 2 3 1 "RMS(OBS, PRED)" H 66 0.533 1
59 2 3 1 "RMS(OBS, PRED)" HA 68 0.310 1
60 2 3 1 "RMS(OBS, PRED)" N 66 3.497 1
61 2 4 1 "RMS(OBS, PRED)" C 0 0.000 1
62 2 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 2 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 2 4 1 "RMS(OBS, PRED)" H 66 0.514 1
65 2 4 1 "RMS(OBS, PRED)" HA 68 0.333 1
66 2 4 1 "RMS(OBS, PRED)" N 66 3.671 1
67 2 5 1 "RMS(OBS, PRED)" C 0 0.000 1
68 2 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
69 2 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
70 2 5 1 "RMS(OBS, PRED)" H 66 0.529 1
71 2 5 1 "RMS(OBS, PRED)" HA 68 0.298 1
72 2 5 1 "RMS(OBS, PRED)" N 66 3.678 1
73 2 6 1 "RMS(OBS, PRED)" C 0 0.000 1
74 2 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 2 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 2 6 1 "RMS(OBS, PRED)" H 66 0.544 1
77 2 6 1 "RMS(OBS, PRED)" HA 68 0.306 1
78 2 6 1 "RMS(OBS, PRED)" N 66 3.686 1
79 2 7 1 "RMS(OBS, PRED)" C 0 0.000 1
80 2 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
81 2 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
82 2 7 1 "RMS(OBS, PRED)" H 66 0.562 1
83 2 7 1 "RMS(OBS, PRED)" HA 68 0.318 1
84 2 7 1 "RMS(OBS, PRED)" N 66 3.355 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 ALA H H 614 8.560 8.323 0.237 2
1 2 . 1 1 A 2 2 ALA HA H 614 4.296 4.146 0.150 2
1 6 . 1 1 A 2 2 ALA CA C 614 52.718 52.729 -0.011 2
1 7 . 1 1 A 2 2 ALA CB C 614 19.861 18.331 1.530 2
1 8 . 1 1 A 3 3 MET H H 615 8.554 8.366 0.188 2
1 9 . 1 1 A 3 3 MET HA H 615 4.397 4.642 -0.245 2
1 13 . 1 1 A 3 3 MET CA C 615 55.892 55.561 0.331 2
1 14 . 1 1 A 3 3 MET CB C 615 32.332 33.133 -0.801 2
1 16 . 1 1 A 4 4 GLY H H 616 8.503 8.391 0.112 2
1 17 . 1 1 A 4 4 GLY HA2 H 616 3.957 4.097 -0.140 2
1 18 . 1 1 A 4 4 GLY CA C 616 45.064 44.775 0.289 2
1 19 . 1 1 A 5 5 SER H H 617 8.468 8.453 0.015 2
1 20 . 1 1 A 5 5 SER HA H 617 4.354 4.467 -0.113 2
1 23 . 1 1 A 5 5 SER CA C 617 58.505 59.951 -1.446 2
1 24 . 1 1 A 5 5 SER CB C 617 64.666 63.479 1.187 2
1 25 . 1 1 A 6 6 LEU H H 618 8.773 8.216 0.557 2
1 26 . 1 1 A 6 6 LEU HA H 618 3.939 4.133 -0.194 2
1 36 . 1 1 A 6 6 LEU CA C 618 58.879 57.372 1.507 2
1 37 . 1 1 A 6 6 LEU CB C 618 41.517 41.983 -0.466 2
1 41 . 1 1 A 7 7 GLU H H 619 8.700 8.390 0.310 2
1 42 . 1 1 A 7 7 GLU HA H 619 3.822 3.977 -0.155 2
1 46 . 1 1 A 7 7 GLU CA C 619 60.537 59.413 1.124 2
1 47 . 1 1 A 7 7 GLU CB C 619 29.382 29.481 -0.099 2
1 49 . 1 1 A 8 8 ALA H H 620 7.936 8.212 -0.276 2
1 50 . 1 1 A 8 8 ALA HA H 620 4.111 4.094 0.017 2
1 54 . 1 1 A 8 8 ALA CA C 620 55.332 54.984 0.348 2
1 55 . 1 1 A 8 8 ALA CB C 620 18.741 18.348 0.393 2
1 56 . 1 1 A 9 9 ARG H H 621 8.378 7.747 0.631 2
1 57 . 1 1 A 9 9 ARG HA H 621 4.026 4.136 -0.110 2
1 65 . 1 1 A 9 9 ARG CA C 621 60.559 59.074 1.485 2
1 66 . 1 1 A 9 9 ARG CB C 621 30.689 29.941 0.748 2
1 69 . 1 1 A 10 10 MET H H 622 8.972 8.286 0.686 2
1 70 . 1 1 A 10 10 MET HA H 622 3.938 4.398 -0.460 2
1 78 . 1 1 A 10 10 MET CA C 622 60.746 57.364 3.382 2
1 79 . 1 1 A 10 10 MET CB C 622 33.293 31.987 1.306 2
1 82 . 1 1 A 11 11 LYS H H 623 7.762 7.891 -0.129 2
1 83 . 1 1 A 11 11 LYS HA H 623 4.008 4.198 -0.190 2
1 89 . 1 1 A 11 11 LYS CA C 623 59.812 59.061 0.751 2
1 90 . 1 1 A 11 11 LYS CB C 623 32.369 32.708 -0.339 2
1 94 . 1 1 A 12 12 GLN H H 624 7.820 8.429 -0.609 2
1 95 . 1 1 A 12 12 GLN HA H 624 4.112 4.161 -0.049 2
1 102 . 1 1 A 12 12 GLN CA C 624 59.626 58.576 1.050 2
1 103 . 1 1 A 12 12 GLN CB C 624 30.316 29.095 1.221 2
1 105 . 1 1 A 13 13 PHE H H 625 8.269 8.087 0.182 2
1 106 . 1 1 A 13 13 PHE HA H 625 3.801 4.170 -0.369 2
1 114 . 1 1 A 13 13 PHE CA C 625 61.679 61.252 0.427 2
1 115 . 1 1 A 13 13 PHE CB C 625 40.770 39.346 1.424 2
1 119 . 1 1 A 14 14 LYS H H 626 8.514 8.109 0.405 2
1 120 . 1 1 A 14 14 LYS HA H 626 3.642 3.953 -0.311 2
1 126 . 1 1 A 14 14 LYS CA C 626 61.119 60.030 1.089 2
1 127 . 1 1 A 14 14 LYS CB C 626 32.369 32.443 -0.074 2
1 131 . 1 1 A 15 15 ASP H H 627 8.586 8.244 0.342 2
1 132 . 1 1 A 15 15 ASP HA H 627 4.293 4.329 -0.036 2
1 135 . 1 1 A 15 15 ASP CA C 627 57.385 57.719 -0.334 2
1 136 . 1 1 A 15 15 ASP CB C 627 39.650 41.467 -1.817 2
1 137 . 1 1 A 16 16 MET H H 628 7.744 7.768 -0.024 2
1 138 . 1 1 A 16 16 MET HA H 628 3.647 4.042 -0.395 2
1 146 . 1 1 A 16 16 MET CA C 628 59.626 58.419 1.207 2
1 147 . 1 1 A 16 16 MET CB C 628 31.050 32.295 -1.245 2
1 150 . 1 1 A 17 17 LEU H H 629 7.522 7.867 -0.345 2
1 151 . 1 1 A 17 17 LEU HA H 629 3.325 3.726 -0.401 2
1 160 . 1 1 A 17 17 LEU CA C 629 58.132 57.482 0.650 2
1 161 . 1 1 A 17 17 LEU CB C 629 39.837 41.002 -1.165 2
1 165 . 1 1 A 18 18 LEU H H 630 6.961 7.560 -0.599 2
1 166 . 1 1 A 18 18 LEU HA H 630 4.374 4.382 -0.008 2
1 175 . 1 1 A 18 18 LEU CA C 630 57.759 56.742 1.017 2
1 176 . 1 1 A 18 18 LEU CB C 630 42.824 41.946 0.878 2
1 180 . 1 1 A 19 19 GLU H H 631 8.539 8.008 0.531 2
1 181 . 1 1 A 19 19 GLU HA H 631 3.863 4.074 -0.211 2
1 186 . 1 1 A 19 19 GLU CA C 631 59.439 59.321 0.118 2
1 187 . 1 1 A 19 19 GLU CB C 631 30.876 29.681 1.195 2
1 189 . 1 1 A 20 20 ARG H H 632 8.380 7.561 0.819 2
1 190 . 1 1 A 20 20 ARG HA H 632 4.259 4.327 -0.068 2
1 197 . 1 1 A 20 20 ARG CA C 632 54.025 55.616 -1.591 2
1 198 . 1 1 A 20 20 ARG CB C 632 29.569 30.574 -1.005 2
1 201 . 1 1 A 21 21 GLY H H 633 7.683 7.753 -0.070 2
1 202 . 1 1 A 21 21 GLY HA2 H 633 3.830 3.921 -0.091 2
1 203 . 1 1 A 21 21 GLY CA C 633 47.118 46.693 0.425 2
1 204 . 1 1 A 22 22 VAL H H 634 8.098 8.082 0.016 2
1 205 . 1 1 A 22 22 VAL HA H 634 3.796 4.408 -0.612 2
1 213 . 1 1 A 22 22 VAL CA C 634 64.106 61.643 2.463 2
1 214 . 1 1 A 22 22 VAL CB C 634 30.876 29.666 1.210 2
1 217 . 1 1 A 23 23 SER H H 635 9.022 8.341 0.681 2
1 218 . 1 1 A 23 23 SER HA H 635 4.489 3.964 0.525 2
1 221 . 1 1 A 23 23 SER CA C 635 57.199 58.917 -1.718 2
1 222 . 1 1 A 23 23 SER CB C 635 64.479 63.201 1.278 2
1 223 . 1 1 A 24 24 ALA H H 636 8.918 8.330 0.588 2
1 224 . 1 1 A 24 24 ALA HA H 636 3.996 4.042 -0.046 2
1 228 . 1 1 A 24 24 ALA CA C 636 52.345 53.560 -1.215 2
1 229 . 1 1 A 24 24 ALA CB C 636 19.301 18.041 1.260 2
1 230 . 1 1 A 25 25 PHE H H 637 8.119 6.792 1.327 2
1 231 . 1 1 A 25 25 PHE HA H 637 4.702 4.826 -0.124 2
1 238 . 1 1 A 25 25 PHE CA C 637 56.639 55.862 0.777 2
1 239 . 1 1 A 25 25 PHE CB C 637 38.903 38.738 0.165 2
1 244 . 1 1 A 26 26 SER H H 638 7.800 8.139 -0.339 2
1 245 . 1 1 A 26 26 SER HA H 638 4.818 5.093 -0.275 2
1 248 . 1 1 A 26 26 SER CB C 638 64.666 66.665 -1.999 2
1 249 . 1 1 A 27 27 THR H H 639 8.881 8.438 0.443 2
1 250 . 1 1 A 27 27 THR HA H 639 4.943 4.781 0.162 2
1 255 . 1 1 A 27 27 THR CA C 639 59.252 60.821 -1.569 2
1 256 . 1 1 A 27 27 THR CB C 639 72.880 70.108 2.772 2
1 258 . 1 1 A 28 28 TRP H H 640 9.322 9.246 0.076 2
1 259 . 1 1 A 28 28 TRP HA H 640 3.552 4.077 -0.525 2
1 267 . 1 1 A 28 28 TRP CA C 640 60.186 60.826 -0.640 2
1 268 . 1 1 A 28 28 TRP CB C 640 29.948 29.605 0.343 2
1 274 . 1 1 A 29 29 GLU H H 641 8.839 7.797 1.042 2
1 275 . 1 1 A 29 29 GLU HA H 641 3.573 4.018 -0.445 2
1 280 . 1 1 A 29 29 GLU CA C 641 60.746 59.236 1.510 2
1 281 . 1 1 A 29 29 GLU CB C 641 29.196 29.625 -0.429 2
1 283 . 1 1 A 30 30 LYS H H 642 7.667 7.489 0.178 2
1 284 . 1 1 A 30 30 LYS HA H 642 4.118 4.074 0.044 2
1 291 . 1 1 A 30 30 LYS CA C 642 58.879 59.685 -0.806 2
1 292 . 1 1 A 30 30 LYS CB C 642 33.293 31.993 1.300 2
1 296 . 1 1 A 31 31 GLU H H 643 7.748 7.749 -0.001 2
1 297 . 1 1 A 31 31 GLU HA H 643 4.047 3.818 0.229 2
1 302 . 1 1 A 31 31 GLU CA C 643 56.265 58.945 -2.680 2
1 303 . 1 1 A 31 31 GLU CB C 643 31.623 29.143 2.480 2
1 305 . 1 1 A 32 32 LEU H H 644 7.218 7.373 -0.155 2
1 306 . 1 1 A 32 32 LEU HA H 644 3.140 3.276 -0.136 2
1 316 . 1 1 A 32 32 LEU CA C 644 58.132 57.756 0.376 2
1 317 . 1 1 A 32 32 LEU CB C 644 41.890 41.477 0.413 2
1 321 . 1 1 A 33 33 HIS H H 645 8.471 7.890 0.581 2
1 322 . 1 1 A 33 33 HIS HA H 645 4.005 4.166 -0.161 2
1 327 . 1 1 A 33 33 HIS CA C 645 58.505 59.094 -0.589 2
1 328 . 1 1 A 33 33 HIS CB C 645 28.449 28.647 -0.198 2
1 331 . 1 1 A 34 34 LYS H H 646 7.429 6.967 0.462 2
1 332 . 1 1 A 34 34 LYS HA H 646 3.816 3.783 0.033 2
1 340 . 1 1 A 34 34 LYS CA C 646 58.505 59.283 -0.778 2
1 341 . 1 1 A 34 34 LYS CB C 646 34.615 32.335 2.280 2
1 345 . 1 1 A 35 35 ILE H H 647 7.152 7.520 -0.368 2
1 346 . 1 1 A 35 35 ILE HA H 647 4.156 4.086 0.070 2
1 354 . 1 1 A 35 35 ILE CA C 647 61.492 62.796 -1.304 2
1 355 . 1 1 A 35 35 ILE CB C 647 40.957 38.277 2.680 2
1 358 . 1 1 A 36 36 VAL H H 648 6.892 8.130 -1.238 2
1 359 . 1 1 A 36 36 VAL HA H 648 2.231 3.532 -1.301 2
1 367 . 1 1 A 36 36 VAL CA C 648 63.733 65.411 -1.678 2
1 368 . 1 1 A 36 36 VAL CB C 648 31.436 30.944 0.492 2
1 371 . 1 1 A 37 37 PHE H H 649 7.254 7.773 -0.519 2
1 372 . 1 1 A 37 37 PHE HA H 649 4.629 4.308 0.321 2
1 378 . 1 1 A 37 37 PHE CA C 649 56.078 60.143 -4.065 2
1 379 . 1 1 A 37 37 PHE CB C 649 38.717 38.422 0.295 2
1 383 . 1 1 A 38 38 ASP H H 650 7.527 7.826 -0.299 2
1 384 . 1 1 A 38 38 ASP HA H 650 4.690 4.864 -0.174 2
1 387 . 1 1 A 38 38 ASP CA C 650 51.971 50.637 1.334 2
1 388 . 1 1 A 38 38 ASP CB C 650 44.055 42.623 1.432 2
1 389 . 1 1 A 39 39 PRO HA H 651 4.267 4.539 -0.272 2
1 395 . 1 1 A 39 39 PRO CA C 651 65.599 64.084 1.515 2
1 396 . 1 1 A 39 39 PRO CB C 651 32.556 32.143 0.413 2
1 399 . 1 1 A 40 40 ARG H H 652 9.454 8.702 0.752 2
1 400 . 1 1 A 40 40 ARG HA H 652 3.978 4.230 -0.252 2
1 408 . 1 1 A 40 40 ARG CA C 652 58.505 58.012 0.493 2
1 409 . 1 1 A 40 40 ARG CB C 652 30.129 29.440 0.689 2
1 412 . 1 1 A 41 41 TYR H H 653 8.320 7.956 0.364 2
1 413 . 1 1 A 41 41 TYR HA H 653 4.145 4.140 0.005 2
1 419 . 1 1 A 41 41 TYR CA C 653 61.119 60.247 0.872 2
1 420 . 1 1 A 41 41 TYR CB C 653 40.127 39.136 0.991 2
1 423 . 1 1 A 42 42 LEU H H 654 6.993 7.574 -0.581 2
1 424 . 1 1 A 42 42 LEU HA H 654 4.081 4.450 -0.369 2
1 433 . 1 1 A 42 42 LEU CA C 654 54.772 54.331 0.441 2
1 434 . 1 1 A 42 42 LEU CB C 654 41.890 41.960 -0.070 2
1 438 . 1 1 A 43 43 LEU H H 655 7.492 7.837 -0.345 2
1 439 . 1 1 A 43 43 LEU HA H 655 4.053 4.187 -0.134 2
1 449 . 1 1 A 43 43 LEU CA C 655 56.452 57.630 -1.178 2
1 450 . 1 1 A 43 43 LEU CB C 655 43.757 42.089 1.668 2
1 454 . 1 1 A 44 44 LEU H H 656 6.524 7.611 -1.087 2
1 455 . 1 1 A 44 44 LEU HA H 656 4.570 4.196 0.374 2
1 465 . 1 1 A 44 44 LEU CA C 656 51.971 54.507 -2.536 2
1 466 . 1 1 A 44 44 LEU CB C 656 45.437 41.870 3.567 2
1 470 . 1 1 A 45 45 ASN H H 657 8.812 8.745 0.067 2
1 471 . 1 1 A 45 45 ASN HA H 657 4.677 4.994 -0.317 2
1 476 . 1 1 A 45 45 ASN CA C 657 51.411 50.864 0.547 2
1 477 . 1 1 A 45 45 ASN CB C 657 36.482 38.667 -2.185 2
1 478 . 1 1 A 46 46 PRO HA H 658 4.678 4.238 0.440 2
1 484 . 1 1 A 46 46 PRO CB C 658 32.369 31.851 0.518 2
1 487 . 1 1 A 47 47 LYS H H 659 7.930 8.005 -0.075 2
1 488 . 1 1 A 47 47 LYS HA H 659 3.795 4.183 -0.388 2
1 494 . 1 1 A 47 47 LYS CA C 659 59.355 58.960 0.395 2
1 495 . 1 1 A 47 47 LYS CB C 659 32.369 33.073 -0.704 2
1 499 . 1 1 A 48 48 GLU H H 660 7.927 8.252 -0.325 2
1 500 . 1 1 A 48 48 GLU HA H 660 3.780 4.050 -0.270 2
1 505 . 1 1 A 48 48 GLU CA C 660 58.505 59.246 -0.741 2
1 506 . 1 1 A 48 48 GLU CB C 660 31.249 29.173 2.076 2
1 508 . 1 1 A 49 49 ARG H H 661 8.427 7.976 0.451 2
1 509 . 1 1 A 49 49 ARG HA H 661 3.792 3.929 -0.137 2
1 515 . 1 1 A 49 49 ARG CA C 661 59.626 58.635 0.991 2
1 516 . 1 1 A 49 49 ARG CB C 661 31.249 29.622 1.627 2
1 519 . 1 1 A 50 50 LYS H H 662 6.770 7.791 -1.021 2
1 520 . 1 1 A 50 50 LYS HA H 662 3.416 3.896 -0.480 2
1 529 . 1 1 A 50 50 LYS CA C 662 58.505 59.306 -0.801 2
1 530 . 1 1 A 50 50 LYS CB C 662 31.996 32.059 -0.063 2
1 534 . 1 1 A 51 51 GLN H H 663 7.507 7.821 -0.314 2
1 535 . 1 1 A 51 51 GLN HA H 663 4.006 4.100 -0.094 2
1 541 . 1 1 A 51 51 GLN CA C 663 59.252 58.618 0.634 2
1 542 . 1 1 A 51 51 GLN CB C 663 28.822 28.306 0.516 2
1 544 . 1 1 A 52 52 VAL H H 664 8.038 7.713 0.325 2
1 545 . 1 1 A 52 52 VAL HA H 664 3.640 3.722 -0.082 2
1 553 . 1 1 A 52 52 VAL CA C 664 66.533 66.182 0.351 2
1 554 . 1 1 A 52 52 VAL CB C 664 31.623 31.705 -0.082 2
1 557 . 1 1 A 53 53 PHE H H 665 8.756 8.136 0.620 2
1 558 . 1 1 A 53 53 PHE HA H 665 4.196 4.357 -0.161 2
1 564 . 1 1 A 53 53 PHE CA C 665 62.613 61.591 1.022 2
1 565 . 1 1 A 53 53 PHE CB C 665 40.397 39.346 1.051 2
1 568 . 1 1 A 54 54 ASP H H 666 9.000 8.288 0.712 2
1 569 . 1 1 A 54 54 ASP HA H 666 4.264 4.037 0.227 2
1 572 . 1 1 A 54 54 ASP CA C 666 57.572 57.176 0.396 2
1 573 . 1 1 A 54 54 ASP CB C 666 39.837 40.842 -1.005 2
1 574 . 1 1 A 55 55 GLN H H 667 7.619 8.010 -0.391 2
1 575 . 1 1 A 55 55 GLN HA H 667 4.027 4.112 -0.085 2
1 581 . 1 1 A 55 55 GLN CA C 667 58.692 58.569 0.123 2
1 582 . 1 1 A 55 55 GLN CB C 667 28.822 28.803 0.019 2
1 584 . 1 1 A 56 56 TYR H H 668 8.525 7.967 0.558 2
1 585 . 1 1 A 56 56 TYR HA H 668 4.095 4.195 -0.100 2
1 592 . 1 1 A 56 56 TYR CA C 668 61.306 61.334 -0.028 2
1 593 . 1 1 A 56 56 TYR CB C 668 39.277 38.701 0.576 2
1 596 . 1 1 A 57 57 VAL H H 669 8.518 8.123 0.395 2
1 597 . 1 1 A 57 57 VAL HA H 669 3.076 3.570 -0.494 2
1 605 . 1 1 A 57 57 VAL CA C 669 66.720 65.979 0.741 2
1 606 . 1 1 A 57 57 VAL CB C 669 31.788 31.069 0.719 2
1 609 . 1 1 A 58 58 LYS H H 670 7.401 7.636 -0.235 2
1 610 . 1 1 A 58 58 LYS HA H 670 3.991 4.025 -0.034 2
1 616 . 1 1 A 58 58 LYS CA C 670 58.505 59.315 -0.810 2
1 617 . 1 1 A 58 58 LYS CB C 670 32.929 32.381 0.548 2
1 621 . 1 1 A 59 59 THR H H 671 7.976 7.629 0.347 2
1 622 . 1 1 A 59 59 THR HA H 671 3.960 3.914 0.046 2
1 627 . 1 1 A 59 59 THR CA C 671 65.599 65.190 0.409 2
1 628 . 1 1 A 59 59 THR CB C 671 69.327 68.822 0.505 2
1 630 . 1 1 A 60 60 ARG H H 672 8.262 7.996 0.266 2
1 631 . 1 1 A 60 60 ARG HA H 672 3.889 3.832 0.057 2
1 639 . 1 1 A 60 60 ARG CA C 672 57.572 59.238 -1.666 2
1 640 . 1 1 A 60 60 ARG CB C 672 29.584 29.557 0.027 2
1 643 . 1 1 A 61 61 ALA H H 673 7.955 7.786 0.169 2
1 644 . 1 1 A 61 61 ALA HA H 673 3.816 4.132 -0.316 2
1 648 . 1 1 A 61 61 ALA CA C 673 55.332 55.004 0.328 2
1 649 . 1 1 A 61 61 ALA CB C 673 18.566 18.401 0.165 2
1 650 . 1 1 A 62 62 GLU H H 674 7.286 7.874 -0.588 2
1 651 . 1 1 A 62 62 GLU HA H 674 4.029 3.993 0.036 2
1 656 . 1 1 A 62 62 GLU CA C 674 58.692 59.630 -0.938 2
1 657 . 1 1 A 62 62 GLU CB C 674 29.575 29.350 0.225 2
1 659 . 1 1 A 63 63 GLU H H 675 7.851 7.717 0.134 2
1 660 . 1 1 A 63 63 GLU HA H 675 4.031 4.130 -0.099 2
1 664 . 1 1 A 63 63 GLU CA C 675 58.879 59.135 -0.256 2
1 665 . 1 1 A 63 63 GLU CB C 675 30.316 29.662 0.654 2
1 667 . 1 1 A 64 64 GLU H H 676 8.266 8.601 -0.335 2
1 668 . 1 1 A 64 64 GLU HA H 676 4.026 4.141 -0.115 2
1 673 . 1 1 A 64 64 GLU CA C 676 58.879 58.776 0.103 2
1 674 . 1 1 A 64 64 GLU CB C 676 30.135 28.909 1.226 2
1 676 . 1 1 A 65 65 ARG H H 677 7.906 8.058 -0.152 2
1 677 . 1 1 A 65 65 ARG HA H 677 4.093 4.134 -0.041 2
1 683 . 1 1 A 65 65 ARG CA C 677 58.132 58.772 -0.640 2
1 684 . 1 1 A 65 65 ARG CB C 677 30.695 30.175 0.520 2
1 687 . 1 1 A 66 66 ARG H H 678 7.801 7.920 -0.119 2
1 688 . 1 1 A 66 66 ARG HA H 678 4.094 4.124 -0.030 2
1 693 . 1 1 A 66 66 ARG CA C 678 57.759 58.354 -0.595 2
1 694 . 1 1 A 66 66 ARG CB C 678 31.063 29.961 1.102 2
1 697 . 1 1 A 67 67 GLU H H 679 8.092 7.831 0.261 2
1 698 . 1 1 A 67 67 GLU HA H 679 4.110 4.286 -0.176 2
1 702 . 1 1 A 67 67 GLU CA C 679 57.385 58.149 -0.764 2
1 703 . 1 1 A 67 67 GLU CB C 679 30.135 30.382 -0.247 2
1 705 . 1 1 A 68 68 LYS H H 680 8.075 7.903 0.172 2
1 706 . 1 1 A 68 68 LYS HA H 680 4.198 4.409 -0.211 2
1 711 . 1 1 A 68 68 LYS CA C 680 56.825 56.366 0.459 2
1 712 . 1 1 A 68 68 LYS CB C 680 32.929 32.922 0.007 2
1 715 . 1 1 A 69 69 LYS H H 681 8.130 7.934 0.196 2
1 716 . 1 1 A 69 69 LYS HA H 681 4.222 4.184 0.038 2
1 721 . 1 1 A 69 69 LYS CA C 681 56.639 57.625 -0.986 2
1 722 . 1 1 A 69 69 LYS CB C 681 33.303 32.140 1.163 2
1 725 . 1 1 A 70 70 ASN H H 682 8.334 8.481 -0.147 2
1 726 . 1 1 A 70 70 ASN HA H 682 4.638 4.653 -0.015 2
1 730 . 1 1 A 70 70 ASN CA C 682 53.465 54.039 -0.574 2
1 731 . 1 1 A 70 70 ASN CB C 682 39.277 38.399 0.878 2
2 1 . 1 1 A 2 2 ALA HA H 614 4.300 4.146 0.154 2
2 5 . 1 1 A 3 3 MET H H 615 8.561 8.366 0.195 2
2 6 . 1 1 A 3 3 MET HA H 615 4.395 4.642 -0.247 2
2 8 . 1 1 A 3 3 MET N N 615 120.395 116.988 3.407 2
2 9 . 1 1 A 4 4 GLY H H 616 8.499 8.391 0.108 2
2 10 . 1 1 A 4 4 GLY HA2 H 616 3.972 4.097 -0.125 2
2 11 . 1 1 A 4 4 GLY N N 616 110.000 110.076 -0.076 2
2 12 . 1 1 A 5 5 SER H H 617 8.467 8.453 0.014 2
2 13 . 1 1 A 5 5 SER HA H 617 4.362 4.467 -0.105 2
2 16 . 1 1 A 5 5 SER N N 617 117.949 115.678 2.271 2
2 17 . 1 1 A 6 6 LEU H H 618 8.786 8.216 0.570 2
2 18 . 1 1 A 6 6 LEU HA H 618 3.944 4.133 -0.189 2
2 27 . 1 1 A 6 6 LEU N N 618 124.471 122.104 2.367 2
2 28 . 1 1 A 7 7 GLU H H 619 8.702 8.390 0.312 2
2 29 . 1 1 A 7 7 GLU HA H 619 3.839 3.977 -0.138 2
2 33 . 1 1 A 7 7 GLU N N 619 118.153 118.828 -0.675 2
2 34 . 1 1 A 8 8 ALA H H 620 7.933 8.212 -0.279 2
2 35 . 1 1 A 8 8 ALA HA H 620 4.131 4.094 0.037 2
2 39 . 1 1 A 8 8 ALA N N 620 123.248 122.114 1.134 2
2 40 . 1 1 A 9 9 ARG H H 621 8.371 7.747 0.624 2
2 41 . 1 1 A 9 9 ARG HA H 621 4.047 4.136 -0.089 2
2 49 . 1 1 A 9 9 ARG N N 621 120.395 119.153 1.242 2
2 51 . 1 1 A 10 10 MET H H 622 8.967 8.286 0.681 2
2 52 . 1 1 A 10 10 MET HA H 622 3.954 4.398 -0.444 2
2 56 . 1 1 A 10 10 MET N N 622 118.764 118.286 0.478 2
2 57 . 1 1 A 11 11 LYS H H 623 7.750 7.891 -0.141 2
2 58 . 1 1 A 11 11 LYS HA H 623 4.009 4.198 -0.189 2
2 61 . 1 1 A 11 11 LYS N N 623 120.802 120.723 0.079 2
2 62 . 1 1 A 12 12 GLN H H 624 7.812 8.429 -0.617 2
2 63 . 1 1 A 12 12 GLN HA H 624 4.113 4.161 -0.048 2
2 70 . 1 1 A 12 12 GLN N N 624 117.541 118.481 -0.940 2
2 72 . 1 1 A 13 13 PHE H H 625 8.268 8.087 0.181 2
2 73 . 1 1 A 13 13 PHE HA H 625 3.813 4.170 -0.357 2
2 81 . 1 1 A 13 13 PHE N N 625 120.395 122.749 -2.354 2
2 82 . 1 1 A 14 14 LYS H H 626 8.510 8.109 0.401 2
2 83 . 1 1 A 14 14 LYS HA H 626 3.637 3.953 -0.316 2
2 89 . 1 1 A 14 14 LYS N N 626 120.395 119.074 1.321 2
2 90 . 1 1 A 15 15 ASP H H 627 8.594 8.244 0.350 2
2 91 . 1 1 A 15 15 ASP HA H 627 4.299 4.329 -0.030 2
2 94 . 1 1 A 15 15 ASP N N 627 120.851 119.616 1.235 2
2 95 . 1 1 A 16 16 MET H H 628 7.744 7.768 -0.024 2
2 96 . 1 1 A 16 16 MET HA H 628 3.651 4.042 -0.391 2
2 104 . 1 1 A 16 16 MET N N 628 121.210 118.676 2.534 2
2 105 . 1 1 A 17 17 LEU H H 629 7.527 7.867 -0.340 2
2 106 . 1 1 A 17 17 LEU HA H 629 3.334 3.726 -0.392 2
2 115 . 1 1 A 17 17 LEU N N 629 118.153 119.121 -0.968 2
2 116 . 1 1 A 18 18 LEU H H 630 6.955 7.560 -0.605 2
2 117 . 1 1 A 18 18 LEU HA H 630 4.358 4.382 -0.024 2
2 126 . 1 1 A 18 18 LEU N N 630 117.083 119.772 -2.689 2
2 127 . 1 1 A 19 19 GLU H H 631 8.530 8.008 0.522 2
2 128 . 1 1 A 19 19 GLU HA H 631 3.868 4.074 -0.206 2
2 133 . 1 1 A 19 19 GLU N N 631 121.414 119.120 2.294 2
2 134 . 1 1 A 20 20 ARG H H 632 8.374 7.561 0.813 2
2 135 . 1 1 A 20 20 ARG HA H 632 4.278 4.327 -0.049 2
2 142 . 1 1 A 20 20 ARG N N 632 113.465 116.539 -3.074 2
2 144 . 1 1 A 21 21 GLY H H 633 7.675 7.753 -0.078 2
2 145 . 1 1 A 21 21 GLY HA2 H 633 3.837 3.921 -0.084 2
2 146 . 1 1 A 21 21 GLY N N 633 107.554 108.235 -0.681 2
2 147 . 1 1 A 22 22 VAL H H 634 8.096 8.082 0.014 2
2 148 . 1 1 A 22 22 VAL HA H 634 3.806 4.408 -0.602 2
2 156 . 1 1 A 22 22 VAL N N 634 121.414 119.847 1.567 2
2 157 . 1 1 A 23 23 SER H H 635 9.014 8.341 0.673 2
2 158 . 1 1 A 23 23 SER HA H 635 4.494 3.964 0.530 2
2 161 . 1 1 A 23 23 SER N N 635 126.509 121.316 5.193 2
2 162 . 1 1 A 24 24 ALA H H 636 8.919 8.330 0.589 2
2 163 . 1 1 A 24 24 ALA HA H 636 4.000 4.042 -0.042 2
2 167 . 1 1 A 24 24 ALA N N 636 126.713 130.669 -3.956 2
2 168 . 1 1 A 25 25 PHE H H 637 8.120 6.792 1.328 2
2 169 . 1 1 A 25 25 PHE HA H 637 4.734 4.826 -0.092 2
2 176 . 1 1 A 25 25 PHE N N 637 117.541 113.654 3.887 2
2 177 . 1 1 A 26 26 SER H H 638 7.795 8.139 -0.344 2
2 178 . 1 1 A 26 26 SER HA H 638 4.829 5.093 -0.264 2
2 181 . 1 1 A 26 26 SER N N 638 117.133 115.142 1.991 2
2 182 . 1 1 A 27 27 THR H H 639 8.880 8.438 0.442 2
2 183 . 1 1 A 27 27 THR HA H 639 4.935 4.781 0.154 2
2 188 . 1 1 A 27 27 THR N N 639 111.426 115.407 -3.981 2
2 189 . 1 1 A 28 28 TRP H H 640 9.317 9.246 0.071 2
2 190 . 1 1 A 28 28 TRP HA H 640 3.558 4.077 -0.519 2
2 197 . 1 1 A 28 28 TRP N N 640 123.452 130.202 -6.750 2
2 199 . 1 1 A 29 29 GLU H H 641 8.823 7.797 1.026 2
2 200 . 1 1 A 29 29 GLU HA H 641 3.576 4.018 -0.442 2
2 203 . 1 1 A 29 29 GLU N N 641 113.668 119.036 -5.368 2
2 204 . 1 1 A 30 30 LYS H H 642 7.661 7.489 0.172 2
2 205 . 1 1 A 30 30 LYS HA H 642 4.125 4.074 0.051 2
2 211 . 1 1 A 30 30 LYS N N 642 118.560 119.565 -1.005 2
2 212 . 1 1 A 31 31 GLU H H 643 7.735 7.749 -0.014 2
2 213 . 1 1 A 31 31 GLU HA H 643 4.049 3.818 0.231 2
2 218 . 1 1 A 31 31 GLU N N 643 115.503 119.987 -4.484 2
2 219 . 1 1 A 32 32 LEU H H 644 7.210 7.373 -0.163 2
2 220 . 1 1 A 32 32 LEU HA H 644 3.144 3.276 -0.132 2
2 230 . 1 1 A 32 32 LEU N N 644 121.210 121.705 -0.495 2
2 231 . 1 1 A 33 33 HIS H H 645 8.465 7.890 0.575 2
2 232 . 1 1 A 33 33 HIS HA H 645 4.011 4.166 -0.155 2
2 236 . 1 1 A 33 33 HIS N N 645 114.280 116.853 -2.573 2
2 237 . 1 1 A 34 34 LYS H H 646 7.426 6.967 0.459 2
2 238 . 1 1 A 34 34 LYS HA H 646 3.808 3.783 0.025 2
2 244 . 1 1 A 34 34 LYS N N 646 117.541 120.965 -3.424 2
2 245 . 1 1 A 35 35 ILE H H 647 7.152 7.520 -0.368 2
2 246 . 1 1 A 35 35 ILE HA H 647 4.159 4.086 0.073 2
2 254 . 1 1 A 35 35 ILE N N 647 132.013 115.325 16.688 2
2 255 . 1 1 A 36 36 VAL H H 648 6.893 8.130 -1.237 2
2 256 . 1 1 A 36 36 VAL HA H 648 2.232 3.532 -1.300 2
2 264 . 1 1 A 36 36 VAL N N 648 118.886 119.568 -0.682 2
2 265 . 1 1 A 37 37 PHE H H 649 7.244 7.773 -0.529 2
2 266 . 1 1 A 37 37 PHE HA H 649 4.629 4.308 0.321 2
2 271 . 1 1 A 37 37 PHE N N 649 115.707 119.772 -4.065 2
2 272 . 1 1 A 38 38 ASP H H 650 7.523 7.826 -0.303 2
2 273 . 1 1 A 38 38 ASP HA H 650 4.699 4.864 -0.165 2
2 276 . 1 1 A 38 38 ASP N N 650 127.325 120.092 7.233 2
2 277 . 1 1 A 39 39 PRO HA H 651 4.268 4.539 -0.271 2
2 283 . 1 1 A 40 40 ARG H H 652 9.450 8.702 0.748 2
2 284 . 1 1 A 40 40 ARG HA H 652 3.979 4.230 -0.251 2
2 292 . 1 1 A 40 40 ARG N N 652 118.153 117.262 0.891 2
2 294 . 1 1 A 41 41 TYR H H 653 8.314 7.956 0.358 2
2 295 . 1 1 A 41 41 TYR HA H 653 4.158 4.140 0.018 2
2 300 . 1 1 A 41 41 TYR N N 653 121.006 121.389 -0.383 2
2 301 . 1 1 A 42 42 LEU H H 654 6.988 7.574 -0.586 2
2 302 . 1 1 A 42 42 LEU HA H 654 4.092 4.450 -0.358 2
2 311 . 1 1 A 42 42 LEU N N 654 111.630 118.948 -7.318 2
2 312 . 1 1 A 43 43 LEU H H 655 7.483 7.837 -0.354 2
2 313 . 1 1 A 43 43 LEU HA H 655 4.044 4.187 -0.143 2
2 323 . 1 1 A 43 43 LEU N N 655 116.726 119.652 -2.926 2
2 324 . 1 1 A 44 44 LEU H H 656 6.517 7.611 -1.094 2
2 325 . 1 1 A 44 44 LEU HA H 656 4.569 4.196 0.373 2
2 335 . 1 1 A 44 44 LEU N N 656 114.076 118.671 -4.595 2
2 336 . 1 1 A 45 45 ASN H H 657 8.807 8.745 0.062 2
2 337 . 1 1 A 45 45 ASN HA H 657 4.677 4.994 -0.317 2
2 342 . 1 1 A 45 45 ASN N N 657 119.783 118.977 0.806 2
2 347 . 1 1 A 47 47 LYS H H 659 7.926 8.005 -0.079 2
2 348 . 1 1 A 47 47 LYS HA H 659 3.801 4.183 -0.382 2
2 353 . 1 1 A 47 47 LYS N N 659 118.599 117.395 1.204 2
2 354 . 1 1 A 48 48 GLU H H 660 7.923 8.252 -0.329 2
2 355 . 1 1 A 48 48 GLU HA H 660 3.777 4.050 -0.273 2
2 360 . 1 1 A 48 48 GLU N N 660 121.210 118.839 2.371 2
2 361 . 1 1 A 49 49 ARG H H 661 8.416 7.976 0.440 2
2 362 . 1 1 A 49 49 ARG HA H 661 3.778 3.929 -0.151 2
2 368 . 1 1 A 49 49 ARG N N 661 117.337 120.075 -2.738 2
2 370 . 1 1 A 50 50 LYS H H 662 6.760 7.791 -1.031 2
2 371 . 1 1 A 50 50 LYS HA H 662 3.431 3.896 -0.465 2
2 377 . 1 1 A 50 50 LYS N N 662 116.592 119.634 -3.042 2
2 378 . 1 1 A 51 51 GLN H H 663 7.503 7.821 -0.318 2
2 379 . 1 1 A 51 51 GLN HA H 663 4.010 4.100 -0.090 2
2 385 . 1 1 A 51 51 GLN N N 663 118.560 117.456 1.104 2
2 387 . 1 1 A 52 52 VAL H H 664 8.035 7.713 0.322 2
2 388 . 1 1 A 52 52 VAL HA H 664 3.653 3.722 -0.069 2
2 396 . 1 1 A 52 52 VAL N N 664 119.172 121.326 -2.154 2
2 397 . 1 1 A 53 53 PHE H H 665 8.740 8.136 0.604 2
2 398 . 1 1 A 53 53 PHE HA H 665 4.217 4.357 -0.140 2
2 403 . 1 1 A 53 53 PHE N N 665 122.433 120.889 1.544 2
2 404 . 1 1 A 54 54 ASP H H 666 9.001 8.288 0.713 2
2 405 . 1 1 A 54 54 ASP HA H 666 4.262 4.037 0.225 2
2 408 . 1 1 A 54 54 ASP N N 666 119.172 119.392 -0.220 2
2 409 . 1 1 A 55 55 GLN H H 667 7.616 8.010 -0.394 2
2 410 . 1 1 A 55 55 GLN HA H 667 4.026 4.112 -0.086 2
2 416 . 1 1 A 55 55 GLN N N 667 119.769 118.655 1.114 2
2 418 . 1 1 A 56 56 TYR H H 668 8.520 7.967 0.553 2
2 419 . 1 1 A 56 56 TYR HA H 668 4.105 4.195 -0.090 2
2 426 . 1 1 A 56 56 TYR N N 668 123.860 123.124 0.736 2
2 427 . 1 1 A 57 57 VAL H H 669 8.517 8.123 0.394 2
2 428 . 1 1 A 57 57 VAL HA H 669 3.085 3.570 -0.485 2
2 436 . 1 1 A 57 57 VAL N N 669 118.153 118.906 -0.753 2
2 437 . 1 1 A 58 58 LYS H H 670 7.393 7.636 -0.243 2
2 438 . 1 1 A 58 58 LYS HA H 670 4.022 4.025 -0.003 2
2 444 . 1 1 A 58 58 LYS N N 670 118.968 121.482 -2.514 2
2 445 . 1 1 A 59 59 THR H H 671 7.971 7.629 0.342 2
2 446 . 1 1 A 59 59 THR HA H 671 3.965 3.914 0.051 2
2 451 . 1 1 A 59 59 THR N N 671 113.668 113.970 -0.302 2
2 452 . 1 1 A 60 60 ARG H H 672 8.248 7.996 0.252 2
2 453 . 1 1 A 60 60 ARG HA H 672 3.886 3.832 0.054 2
2 461 . 1 1 A 60 60 ARG N N 672 122.229 120.595 1.634 2
2 463 . 1 1 A 61 61 ALA H H 673 7.940 7.786 0.154 2
2 464 . 1 1 A 61 61 ALA HA H 673 3.826 4.132 -0.306 2
2 468 . 1 1 A 61 61 ALA N N 673 121.414 120.724 0.690 2
2 469 . 1 1 A 62 62 GLU H H 674 7.610 7.874 -0.264 2
2 470 . 1 1 A 62 62 GLU HA H 674 4.034 3.993 0.041 2
2 475 . 1 1 A 62 62 GLU N N 674 116.930 117.911 -0.981 2
2 476 . 1 1 A 63 63 GLU H H 675 7.844 7.717 0.127 2
2 477 . 1 1 A 63 63 GLU HA H 675 3.996 4.130 -0.134 2
2 481 . 1 1 A 63 63 GLU N N 675 119.783 119.640 0.143 2
2 482 . 1 1 A 64 64 GLU H H 676 8.262 8.601 -0.339 2
2 483 . 1 1 A 64 64 GLU HA H 676 4.026 4.141 -0.115 2
2 488 . 1 1 A 64 64 GLU N N 676 119.579 119.142 0.437 2
2 489 . 1 1 A 65 65 ARG H H 677 7.902 8.058 -0.156 2
2 490 . 1 1 A 65 65 ARG HA H 677 4.104 4.134 -0.030 2
2 496 . 1 1 A 65 65 ARG N N 677 118.968 120.270 -1.302 2
2 497 . 1 1 A 66 66 ARG H H 678 7.801 7.920 -0.119 2
2 498 . 1 1 A 66 66 ARG HA H 678 4.099 4.124 -0.025 2
2 503 . 1 1 A 66 66 ARG N N 678 119.783 117.990 1.793 2
2 504 . 1 1 A 67 67 GLU H H 679 8.097 7.831 0.266 2
2 505 . 1 1 A 67 67 GLU HA H 679 4.118 4.286 -0.168 2
2 509 . 1 1 A 67 67 GLU N N 679 120.395 118.397 1.998 2
2 510 . 1 1 A 68 68 LYS H H 680 8.060 7.903 0.157 2
2 511 . 1 1 A 68 68 LYS HA H 680 4.181 4.409 -0.228 2
2 515 . 1 1 A 68 68 LYS N N 680 121.210 117.824 3.386 2
2 516 . 1 1 A 69 69 LYS H H 681 8.129 7.934 0.195 2
2 517 . 1 1 A 69 69 LYS HA H 681 4.208 4.184 0.024 2
2 521 . 1 1 A 69 69 LYS N N 681 121.821 118.948 2.873 2
2 522 . 1 1 A 70 70 ASN H H 682 8.333 8.481 -0.148 2
2 523 . 1 1 A 70 70 ASN HA H 682 4.641 4.653 -0.012 2
2 528 . 1 1 A 70 70 ASN N N 682 119.783 119.363 0.420 2
stop_
save_