data_15701_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15701
_Entry.PDB_ID 2K2D
_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 15
_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
1 334 . 1 1 1 A 34 34 MET HA H 34 4.620 4.587 0.033 1
1 342 . 1 1 1 A 34 34 MET C C 34 172.400 174.742 -2.342 1
1 343 . 1 1 1 A 34 34 MET CA C 34 55.830 54.615 1.215 1
1 344 . 1 1 1 A 34 34 MET CB C 34 34.150 31.690 2.460 1
1 347 . 1 1 1 A 35 35 THR H H 35 8.280 8.679 -0.399 1
1 348 . 1 1 1 A 35 35 THR HA H 35 5.030 5.413 -0.383 1
1 353 . 1 1 1 A 35 35 THR C C 35 171.200 174.175 -2.975 1
1 354 . 1 1 1 A 35 35 THR CA C 35 60.370 60.648 -0.278 1
1 355 . 1 1 1 A 35 35 THR CB C 35 71.110 70.135 0.975 1
1 357 . 1 1 1 A 35 35 THR N N 35 116.750 117.855 -1.105 1
1 358 . 1 1 1 A 36 36 VAL H H 36 9.240 9.244 -0.004 1
1 359 . 1 1 1 A 36 36 VAL HA H 36 4.560 4.899 -0.339 1
1 367 . 1 1 1 A 36 36 VAL C C 36 170.520 173.628 -3.108 1
1 368 . 1 1 1 A 36 36 VAL CA C 36 59.740 59.050 0.690 1
1 369 . 1 1 1 A 36 36 VAL CB C 36 36.040 34.706 1.334 1
1 372 . 1 1 1 A 36 36 VAL N N 36 117.880 120.933 -3.053 1
1 373 . 1 1 1 A 37 37 ASP H H 37 8.330 8.782 -0.452 1
1 374 . 1 1 1 A 37 37 ASP HA H 37 5.470 5.036 0.434 1
1 377 . 1 1 1 A 37 37 ASP C C 37 173.810 175.705 -1.895 1
1 378 . 1 1 1 A 37 37 ASP CA C 37 53.140 53.272 -0.132 1
1 379 . 1 1 1 A 37 37 ASP CB C 37 40.960 42.920 -1.960 1
1 380 . 1 1 1 A 37 37 ASP N N 37 123.580 123.896 -0.316 1
1 381 . 1 1 1 A 38 38 ILE H H 38 9.310 9.008 0.302 1
1 382 . 1 1 1 A 38 38 ILE HA H 38 5.060 5.035 0.025 1
1 392 . 1 1 1 A 38 38 ILE C C 38 171.700 174.293 -2.593 1
1 393 . 1 1 1 A 38 38 ILE CA C 38 59.260 59.032 0.228 1
1 394 . 1 1 1 A 38 38 ILE CB C 38 43.150 40.664 2.486 1
1 398 . 1 1 1 A 38 38 ILE N N 38 116.250 121.051 -4.801 1
1 399 . 1 1 1 A 39 39 LEU H H 39 8.840 8.964 -0.124 1
1 400 . 1 1 1 A 39 39 LEU HA H 39 4.830 5.200 -0.370 1
1 410 . 1 1 1 A 39 39 LEU C C 39 172.350 175.413 -3.063 1
1 411 . 1 1 1 A 39 39 LEU CA C 39 53.060 53.650 -0.590 1
1 412 . 1 1 1 A 39 39 LEU CB C 39 45.380 45.424 -0.044 1
1 416 . 1 1 1 A 39 39 LEU N N 39 121.570 125.249 -3.679 1
1 417 . 1 1 1 A 40 40 CYS H H 40 8.460 8.371 0.089 1
1 418 . 1 1 1 A 40 40 CYS HA H 40 4.390 4.833 -0.443 1
1 421 . 1 1 1 A 40 40 CYS C C 40 174.410 175.181 -0.771 1
1 422 . 1 1 1 A 40 40 CYS CA C 40 58.530 58.027 0.503 1
1 423 . 1 1 1 A 40 40 CYS CB C 40 33.410 29.596 3.814 1
1 424 . 1 1 1 A 40 40 CYS N N 40 127.490 122.487 5.003 1
1 425 . 1 1 1 A 41 41 ASN H H 41 9.280 8.911 0.369 1
1 426 . 1 1 1 A 41 41 ASN HA H 41 4.620 4.595 0.025 1
1 431 . 1 1 1 A 41 41 ASN C C 41 172.280 176.310 -4.030 1
1 432 . 1 1 1 A 41 41 ASN CA C 41 54.860 55.276 -0.416 1
1 433 . 1 1 1 A 41 41 ASN CB C 41 38.710 39.322 -0.612 1
1 434 . 1 1 1 A 41 41 ASN N N 41 126.320 125.826 0.494 1
1 436 . 1 1 1 A 42 42 ASP H H 42 9.360 8.069 1.291 1
1 437 . 1 1 1 A 42 42 ASP HA H 42 4.940 4.700 0.240 1
1 440 . 1 1 1 A 42 42 ASP C C 42 174.400 177.417 -3.017 1
1 441 . 1 1 1 A 42 42 ASP CA C 42 56.650 56.302 0.348 1
1 442 . 1 1 1 A 42 42 ASP CB C 42 41.910 41.675 0.235 1
1 443 . 1 1 1 A 42 42 ASP N N 42 123.070 116.570 6.500 1
1 444 . 1 1 1 A 43 43 CYS H H 43 9.260 7.869 1.391 1
1 445 . 1 1 1 A 43 43 CYS HA H 43 4.940 4.424 0.516 1
1 448 . 1 1 1 A 43 43 CYS C C 43 174.140 174.358 -0.218 1
1 449 . 1 1 1 A 43 43 CYS CA C 43 58.590 58.491 0.099 1
1 450 . 1 1 1 A 43 43 CYS CB C 43 31.960 27.905 4.055 1
1 451 . 1 1 1 A 43 43 CYS N N 43 121.590 115.577 6.013 1
1 452 . 1 1 1 A 44 44 ASN H H 44 7.650 8.059 -0.409 1
1 453 . 1 1 1 A 44 44 ASN HA H 44 4.770 4.582 0.188 1
1 458 . 1 1 1 A 44 44 ASN C C 44 171.350 174.134 -2.784 1
1 459 . 1 1 1 A 44 44 ASN CA C 44 55.450 54.629 0.821 1
1 460 . 1 1 1 A 44 44 ASN CB C 44 37.970 36.836 1.134 1
1 461 . 1 1 1 A 44 44 ASN N N 44 118.000 116.040 1.960 1
1 463 . 1 1 1 A 45 45 GLY H H 45 9.220 8.130 1.090 1
1 464 . 1 1 1 A 45 45 GLY HA2 H 45 4.210 4.087 0.123 1
1 465 . 1 1 1 A 45 45 GLY HA3 H 45 3.510 4.090 -0.580 1
1 466 . 1 1 1 A 45 45 GLY C C 45 170.730 172.875 -2.145 1
1 467 . 1 1 1 A 45 45 GLY CA C 45 44.130 44.194 -0.064 1
1 468 . 1 1 1 A 45 45 GLY N N 45 111.320 107.069 4.251 1
1 469 . 1 1 1 A 46 46 ARG H H 46 8.600 8.797 -0.197 1
1 470 . 1 1 1 A 46 46 ARG HA H 46 5.420 5.333 0.087 1
1 477 . 1 1 1 A 46 46 ARG C C 46 172.900 175.058 -2.158 1
1 478 . 1 1 1 A 46 46 ARG CA C 46 54.460 55.092 -0.632 1
1 479 . 1 1 1 A 46 46 ARG CB C 46 32.270 32.459 -0.189 1
1 482 . 1 1 1 A 46 46 ARG N N 46 124.920 120.115 4.805 1
1 483 . 1 1 1 A 47 47 SER H H 47 8.350 8.887 -0.537 1
1 484 . 1 1 1 A 47 47 SER HA H 47 4.790 5.076 -0.286 1
1 487 . 1 1 1 A 47 47 SER C C 47 170.830 173.158 -2.328 1
1 488 . 1 1 1 A 47 47 SER CA C 47 57.720 57.628 0.092 1
1 489 . 1 1 1 A 47 47 SER CB C 47 66.390 65.405 0.985 1
1 490 . 1 1 1 A 47 47 SER N N 47 115.750 117.804 -2.054 1
1 491 . 1 1 1 A 48 48 THR H H 48 8.570 8.857 -0.287 1
1 492 . 1 1 1 A 48 48 THR HA H 48 5.210 4.641 0.569 1
1 497 . 1 1 1 A 48 48 THR C C 48 171.920 174.435 -2.515 1
1 498 . 1 1 1 A 48 48 THR CA C 48 62.350 62.385 -0.035 1
1 499 . 1 1 1 A 48 48 THR CB C 48 70.320 68.790 1.530 1
1 501 . 1 1 1 A 48 48 THR N N 48 120.420 122.694 -2.274 1
1 502 . 1 1 1 A 49 49 VAL H H 49 9.020 8.605 0.415 1
1 503 . 1 1 1 A 49 49 VAL HA H 49 4.800 5.033 -0.233 1
1 511 . 1 1 1 A 49 49 VAL C C 49 171.700 175.015 -3.315 1
1 512 . 1 1 1 A 49 49 VAL CA C 49 58.540 59.021 -0.481 1
1 513 . 1 1 1 A 49 49 VAL CB C 49 36.420 35.163 1.257 1
1 516 . 1 1 1 A 49 49 VAL N N 49 119.320 120.089 -0.769 1
1 517 . 1 1 1 A 50 50 GLN H H 50 8.320 8.193 0.127 1
1 518 . 1 1 1 A 50 50 GLN HA H 50 4.450 4.617 -0.167 1
1 525 . 1 1 1 A 50 50 GLN C C 50 173.270 175.412 -2.142 1
1 526 . 1 1 1 A 50 50 GLN CA C 50 55.860 55.654 0.206 1
1 527 . 1 1 1 A 50 50 GLN CB C 50 29.250 29.247 0.003 1
1 529 . 1 1 1 A 50 50 GLN N N 50 119.390 121.366 -1.976 1
1 531 . 1 1 1 A 51 51 PHE H H 51 8.690 8.837 -0.147 1
1 532 . 1 1 1 A 51 51 PHE HA H 51 4.430 4.678 -0.248 1
1 539 . 1 1 1 A 51 51 PHE C C 51 171.970 174.241 -2.271 1
1 540 . 1 1 1 A 51 51 PHE CA C 51 58.850 57.499 1.351 1
1 541 . 1 1 1 A 51 51 PHE CB C 51 40.100 39.229 0.871 1
1 546 . 1 1 1 A 51 51 PHE N N 51 125.010 122.930 2.080 1
1 547 . 1 1 1 A 52 52 HIS H H 52 6.480 8.594 -2.114 1
1 548 . 1 1 1 A 52 52 HIS HA H 52 4.100 4.885 -0.785 1
1 553 . 1 1 1 A 52 52 HIS CA C 52 57.230 54.699 2.531 1
1 554 . 1 1 1 A 52 52 HIS CB C 52 34.130 31.501 2.629 1
1 557 . 1 1 1 A 52 52 HIS N N 52 126.100 127.340 -1.240 1
1 558 . 1 1 1 A 53 53 ILE HA H 53 3.760 3.459 0.301 1
1 568 . 1 1 1 A 53 53 ILE CA C 53 62.780 64.074 -1.294 1
1 569 . 1 1 1 A 53 53 ILE CB C 53 38.920 37.125 1.795 1
1 573 . 1 1 1 A 54 54 LEU HA H 54 4.370 4.134 0.236 1
1 583 . 1 1 1 A 54 54 LEU C C 54 174.460 176.318 -1.858 1
1 584 . 1 1 1 A 54 54 LEU CA C 54 55.430 54.812 0.618 1
1 585 . 1 1 1 A 54 54 LEU CB C 54 41.760 42.202 -0.442 1
1 589 . 1 1 1 A 55 55 GLY H H 55 7.100 6.891 0.209 1
1 590 . 1 1 1 A 55 55 GLY HA2 H 55 4.280 3.981 0.299 1
1 591 . 1 1 1 A 55 55 GLY HA3 H 55 3.760 4.083 -0.323 1
1 592 . 1 1 1 A 55 55 GLY C C 55 182.880 172.911 9.969 1
1 593 . 1 1 1 A 55 55 GLY CA C 55 45.070 45.202 -0.132 1
1 594 . 1 1 1 A 55 55 GLY N N 55 106.000 107.190 -1.190 1
1 595 . 1 1 1 A 56 56 MET H H 56 8.650 8.931 -0.281 1
1 596 . 1 1 1 A 56 56 MET HA H 56 4.500 5.149 -0.649 1
1 604 . 1 1 1 A 56 56 MET C C 56 170.320 176.069 -5.749 1
1 605 . 1 1 1 A 56 56 MET CA C 56 55.110 54.028 1.082 1
1 606 . 1 1 1 A 56 56 MET CB C 56 35.270 33.509 1.761 1
1 609 . 1 1 1 A 56 56 MET N N 56 120.630 124.189 -3.559 1
1 610 . 1 1 1 A 57 57 LYS H H 57 7.850 8.727 -0.877 1
1 611 . 1 1 1 A 57 57 LYS HA H 57 3.520 4.063 -0.543 1
1 620 . 1 1 1 A 57 57 LYS C C 57 172.230 176.178 -3.948 1
1 621 . 1 1 1 A 57 57 LYS CA C 57 54.850 55.793 -0.943 1
1 622 . 1 1 1 A 57 57 LYS CB C 57 33.420 32.929 0.491 1
1 626 . 1 1 1 A 57 57 LYS N N 57 125.140 126.006 -0.866 1
1 627 . 1 1 1 A 58 58 CYS H H 58 8.680 8.224 0.456 1
1 628 . 1 1 1 A 58 58 CYS HA H 58 3.630 4.402 -0.772 1
1 631 . 1 1 1 A 58 58 CYS C C 58 175.080 175.884 -0.804 1
1 632 . 1 1 1 A 58 58 CYS CA C 58 60.100 59.457 0.643 1
1 633 . 1 1 1 A 58 58 CYS CB C 58 30.620 28.336 2.284 1
1 634 . 1 1 1 A 58 58 CYS N N 58 126.470 125.251 1.219 1
1 635 . 1 1 1 A 59 59 LYS H H 59 7.450 8.897 -1.447 1
1 636 . 1 1 1 A 59 59 LYS HA H 59 4.020 4.198 -0.178 1
1 645 . 1 1 1 A 59 59 LYS C C 59 173.460 177.291 -3.831 1
1 646 . 1 1 1 A 59 59 LYS CA C 59 57.850 57.710 0.140 1
1 647 . 1 1 1 A 59 59 LYS CB C 59 33.080 32.167 0.913 1
1 651 . 1 1 1 A 59 59 LYS N N 59 128.510 127.922 0.588 1
1 652 . 1 1 1 A 60 60 ILE H H 60 9.120 7.769 1.351 1
1 653 . 1 1 1 A 60 60 ILE HA H 60 3.840 3.974 -0.134 1
1 663 . 1 1 1 A 60 60 ILE C C 60 174.920 177.492 -2.572 1
1 664 . 1 1 1 A 60 60 ILE CA C 60 63.990 63.006 0.984 1
1 665 . 1 1 1 A 60 60 ILE CB C 60 38.510 38.902 -0.392 1
1 669 . 1 1 1 A 60 60 ILE N N 60 122.830 118.130 4.700 1
1 670 . 1 1 1 A 61 61 CYS H H 61 8.900 7.736 1.164 1
1 671 . 1 1 1 A 61 61 CYS HA H 61 4.960 4.542 0.418 1
1 674 . 1 1 1 A 61 61 CYS C C 61 173.530 175.131 -1.601 1
1 675 . 1 1 1 A 61 61 CYS CA C 61 58.750 58.014 0.736 1
1 676 . 1 1 1 A 61 61 CYS CB C 61 32.740 29.454 3.286 1
1 677 . 1 1 1 A 61 61 CYS N N 61 120.650 116.025 4.625 1
1 678 . 1 1 1 A 62 62 GLU H H 62 7.240 7.875 -0.635 1
1 679 . 1 1 1 A 62 62 GLU HA H 62 3.830 3.845 -0.015 1
1 684 . 1 1 1 A 62 62 GLU C C 62 170.720 173.955 -3.235 1
1 685 . 1 1 1 A 62 62 GLU CA C 62 58.960 57.390 1.570 1
1 686 . 1 1 1 A 62 62 GLU CB C 62 26.790 27.160 -0.370 1
1 688 . 1 1 1 A 62 62 GLU N N 62 114.650 116.266 -1.616 1
1 689 . 1 1 1 A 63 63 SER H H 63 8.130 7.630 0.500 1
1 690 . 1 1 1 A 63 63 SER HA H 63 4.390 4.785 -0.395 1
1 693 . 1 1 1 A 63 63 SER CA C 63 58.130 55.972 2.158 1
1 694 . 1 1 1 A 63 63 SER CB C 63 64.180 64.998 -0.818 1
1 695 . 1 1 1 A 63 63 SER N N 63 114.690 114.037 0.653 1
1 696 . 1 1 1 A 64 64 TYR HA H 64 4.610 4.674 -0.064 1
1 703 . 1 1 1 A 64 64 TYR C C 64 174.140 175.349 -1.209 1
1 704 . 1 1 1 A 64 64 TYR CA C 64 59.030 58.098 0.932 1
1 705 . 1 1 1 A 64 64 TYR CB C 64 38.350 38.560 -0.210 1
1 710 . 1 1 1 A 65 65 ASN H H 65 9.410 7.595 1.815 1
1 711 . 1 1 1 A 65 65 ASN HA H 65 5.010 4.826 0.184 1
1 716 . 1 1 1 A 65 65 ASN C C 65 170.800 173.855 -3.055 1
1 717 . 1 1 1 A 65 65 ASN CA C 65 51.730 52.596 -0.866 1
1 718 . 1 1 1 A 65 65 ASN CB C 65 35.880 37.979 -2.099 1
1 719 . 1 1 1 A 65 65 ASN N N 65 124.590 120.594 3.996 1
1 721 . 1 1 1 A 66 66 THR H H 66 8.040 8.272 -0.232 1
1 722 . 1 1 1 A 66 66 THR HA H 66 4.960 5.195 -0.235 1
1 727 . 1 1 1 A 66 66 THR C C 66 169.060 173.493 -4.433 1
1 728 . 1 1 1 A 66 66 THR CA C 66 58.650 60.191 -1.541 1
1 729 . 1 1 1 A 66 66 THR CB C 66 72.830 72.348 0.482 1
1 731 . 1 1 1 A 66 66 THR N N 66 110.130 116.127 -5.997 1
1 732 . 1 1 1 A 67 67 ALA H H 67 8.560 9.212 -0.652 1
1 733 . 1 1 1 A 67 67 ALA HA H 67 4.690 5.006 -0.316 1
1 737 . 1 1 1 A 67 67 ALA C C 67 173.640 175.571 -1.931 1
1 738 . 1 1 1 A 67 67 ALA CA C 67 51.070 50.233 0.837 1
1 739 . 1 1 1 A 67 67 ALA CB C 67 22.560 21.694 0.866 1
1 740 . 1 1 1 A 67 67 ALA N N 67 120.400 124.744 -4.344 1
1 741 . 1 1 1 A 68 68 GLN H H 68 8.910 8.591 0.319 1
1 742 . 1 1 1 A 68 68 GLN HA H 68 4.380 4.721 -0.341 1
1 749 . 1 1 1 A 68 68 GLN C C 68 173.320 176.599 -3.279 1
1 750 . 1 1 1 A 68 68 GLN CA C 68 57.610 54.918 2.692 1
1 751 . 1 1 1 A 68 68 GLN CB C 68 29.250 30.532 -1.282 1
1 753 . 1 1 1 A 68 68 GLN N N 68 120.570 119.980 0.590 1
1 755 . 1 1 1 A 69 69 ALA H H 69 8.920 8.967 -0.047 1
1 756 . 1 1 1 A 69 69 ALA HA H 69 4.370 4.387 -0.017 1
1 760 . 1 1 1 A 69 69 ALA C C 69 174.630 178.052 -3.422 1
1 761 . 1 1 1 A 69 69 ALA CA C 69 52.080 52.942 -0.862 1
1 762 . 1 1 1 A 69 69 ALA CB C 69 19.750 19.570 0.180 1
1 763 . 1 1 1 A 69 69 ALA N N 69 128.720 128.592 0.128 1
1 764 . 1 1 1 A 70 70 GLY H H 70 8.330 7.670 0.660 1
1 765 . 1 1 1 A 70 70 GLY HA2 H 70 4.000 3.919 0.081 1
1 766 . 1 1 1 A 70 70 GLY HA3 H 70 4.000 3.920 0.080 1
1 767 . 1 1 1 A 70 70 GLY C C 70 171.580 174.446 -2.866 1
1 768 . 1 1 1 A 70 70 GLY CA C 70 45.200 46.030 -0.830 1
1 769 . 1 1 1 A 70 70 GLY N N 70 108.440 106.449 1.991 1
1 770 . 1 1 1 A 71 71 GLY H H 71 8.330 8.095 0.235 1
1 771 . 1 1 1 A 71 71 GLY HA2 H 71 3.940 3.938 0.002 1
1 772 . 1 1 1 A 71 71 GLY HA3 H 71 3.940 3.941 -0.001 1
1 773 . 1 1 1 A 71 71 GLY C C 71 171.150 173.021 -1.871 1
1 774 . 1 1 1 A 71 71 GLY CA C 71 45.170 45.650 -0.480 1
1 775 . 1 1 1 A 71 71 GLY N N 71 108.430 108.281 0.149 1
1 776 . 1 1 1 A 72 72 ARG H H 72 8.210 8.461 -0.251 1
1 777 . 1 1 1 A 72 72 ARG HA H 72 4.340 4.497 -0.157 1
1 784 . 1 1 1 A 72 72 ARG C C 72 173.350 175.894 -2.544 1
1 785 . 1 1 1 A 72 72 ARG CA C 72 55.700 55.850 -0.150 1
1 786 . 1 1 1 A 72 72 ARG CB C 72 30.900 31.020 -0.120 1
1 789 . 1 1 1 A 72 72 ARG N N 72 120.590 124.830 -4.240 1
1 790 . 1 1 1 A 73 73 ARG H H 73 8.450 8.977 -0.527 1
1 791 . 1 1 1 A 73 73 ARG HA H 73 4.350 4.686 -0.336 1
1 798 . 1 1 1 A 73 73 ARG C C 73 173.200 174.860 -1.660 1
1 799 . 1 1 1 A 73 73 ARG CA C 73 55.560 56.114 -0.554 1
1 800 . 1 1 1 A 73 73 ARG CB C 73 30.690 30.828 -0.138 1
1 803 . 1 1 1 A 73 73 ARG N N 73 123.800 123.674 0.126 1
1 804 . 1 1 1 A 74 74 ILE H H 74 8.360 8.922 -0.562 1
1 805 . 1 1 1 A 74 74 ILE HA H 74 4.160 5.017 -0.857 1
1 815 . 1 1 1 A 74 74 ILE C C 74 173.230 173.811 -0.581 1
1 816 . 1 1 1 A 74 74 ILE CA C 74 61.030 58.843 2.187 1
1 817 . 1 1 1 A 74 74 ILE CB C 74 38.920 40.865 -1.945 1
1 821 . 1 1 1 A 74 74 ILE N N 74 123.330 128.144 -4.814 1
1 822 . 1 1 1 A 75 75 SER H H 75 8.340 8.736 -0.396 1
1 823 . 1 1 1 A 75 75 SER HA H 75 4.450 4.876 -0.426 1
1 826 . 1 1 1 A 75 75 SER C C 75 171.620 173.885 -2.265 1
1 827 . 1 1 1 A 75 75 SER CA C 75 57.890 57.019 0.871 1
1 828 . 1 1 1 A 75 75 SER CB C 75 64.000 63.805 0.195 1
1 829 . 1 1 1 A 75 75 SER N N 75 119.950 124.764 -4.814 1
1 830 . 1 1 1 A 76 76 LEU H H 76 8.400 8.767 -0.367 1
1 831 . 1 1 1 A 76 76 LEU HA H 76 4.300 5.086 -0.786 1
1 840 . 1 1 1 A 76 76 LEU C C 76 173.730 174.581 -0.851 1
1 841 . 1 1 1 A 76 76 LEU CA C 76 55.510 53.299 2.211 1
1 842 . 1 1 1 A 76 76 LEU CB C 76 42.290 45.876 -3.586 1
1 845 . 1 1 1 A 76 76 LEU N N 76 124.860 123.388 1.472 1
1 846 . 1 1 1 A 77 77 ASP H H 77 8.240 8.835 -0.595 1
1 847 . 1 1 1 A 77 77 ASP HA H 77 4.530 4.914 -0.384 1
1 850 . 1 1 1 A 77 77 ASP C C 77 173.190 175.298 -2.108 1
1 851 . 1 1 1 A 77 77 ASP CA C 77 54.540 53.009 1.531 1
1 852 . 1 1 1 A 77 77 ASP CB C 77 41.250 41.819 -0.569 1
1 853 . 1 1 1 A 77 77 ASP N N 77 119.920 122.982 -3.062 1
1 854 . 1 1 1 A 78 78 GLN H H 78 8.120 8.834 -0.714 1
1 855 . 1 1 1 A 78 78 GLN HA H 78 4.310 5.086 -0.776 1
1 862 . 1 1 1 A 78 78 GLN C C 78 171.810 173.602 -1.792 1
1 863 . 1 1 1 A 78 78 GLN CA C 78 55.450 54.239 1.211 1
1 864 . 1 1 1 A 78 78 GLN CB C 78 29.920 31.453 -1.533 1
1 866 . 1 1 1 A 78 78 GLN N N 78 120.080 124.128 -4.048 1
1 334 . 2 1 1 A 34 34 MET HA H 34 4.620 5.215 -0.595 1
1 342 . 2 1 1 A 34 34 MET C C 34 172.400 174.822 -2.422 1
1 343 . 2 1 1 A 34 34 MET CA C 34 55.830 53.983 1.847 1
1 344 . 2 1 1 A 34 34 MET CB C 34 34.150 35.442 -1.292 1
1 347 . 2 1 1 A 35 35 THR H H 35 8.280 8.641 -0.361 1
1 348 . 2 1 1 A 35 35 THR HA H 35 5.030 5.535 -0.505 1
1 353 . 2 1 1 A 35 35 THR C C 35 171.200 174.208 -3.008 1
1 354 . 2 1 1 A 35 35 THR CA C 35 60.370 60.648 -0.278 1
1 355 . 2 1 1 A 35 35 THR CB C 35 71.110 70.121 0.989 1
1 357 . 2 1 1 A 35 35 THR N N 35 116.750 118.976 -2.226 1
1 358 . 2 1 1 A 36 36 VAL H H 36 9.240 9.302 -0.062 1
1 359 . 2 1 1 A 36 36 VAL HA H 36 4.560 4.984 -0.424 1
1 367 . 2 1 1 A 36 36 VAL C C 36 170.520 174.121 -3.601 1
1 368 . 2 1 1 A 36 36 VAL CA C 36 59.740 58.861 0.879 1
1 369 . 2 1 1 A 36 36 VAL CB C 36 36.040 35.052 0.988 1
1 372 . 2 1 1 A 36 36 VAL N N 36 117.880 120.760 -2.880 1
1 373 . 2 1 1 A 37 37 ASP H H 37 8.330 8.761 -0.431 1
1 374 . 2 1 1 A 37 37 ASP HA H 37 5.470 5.353 0.117 1
1 377 . 2 1 1 A 37 37 ASP C C 37 173.810 175.765 -1.955 1
1 378 . 2 1 1 A 37 37 ASP CA C 37 53.140 53.553 -0.413 1
1 379 . 2 1 1 A 37 37 ASP CB C 37 40.960 42.202 -1.242 1
1 380 . 2 1 1 A 37 37 ASP N N 37 123.580 120.991 2.589 1
1 381 . 2 1 1 A 38 38 ILE H H 38 9.310 9.088 0.222 1
1 382 . 2 1 1 A 38 38 ILE HA H 38 5.060 5.036 0.024 1
1 392 . 2 1 1 A 38 38 ILE C C 38 171.700 174.317 -2.617 1
1 393 . 2 1 1 A 38 38 ILE CA C 38 59.260 59.315 -0.055 1
1 394 . 2 1 1 A 38 38 ILE CB C 38 43.150 40.722 2.428 1
1 398 . 2 1 1 A 38 38 ILE N N 38 116.250 119.271 -3.021 1
1 399 . 2 1 1 A 39 39 LEU H H 39 8.840 9.253 -0.413 1
1 400 . 2 1 1 A 39 39 LEU HA H 39 4.830 5.137 -0.307 1
1 410 . 2 1 1 A 39 39 LEU C C 39 172.350 175.918 -3.568 1
1 411 . 2 1 1 A 39 39 LEU CA C 39 53.060 53.588 -0.528 1
1 412 . 2 1 1 A 39 39 LEU CB C 39 45.380 45.632 -0.252 1
1 416 . 2 1 1 A 39 39 LEU N N 39 121.570 126.903 -5.333 1
1 417 . 2 1 1 A 40 40 CYS H H 40 8.460 8.821 -0.361 1
1 418 . 2 1 1 A 40 40 CYS HA H 40 4.390 4.570 -0.180 1
1 421 . 2 1 1 A 40 40 CYS C C 40 174.410 174.382 0.028 1
1 422 . 2 1 1 A 40 40 CYS CA C 40 58.530 59.459 -0.929 1
1 423 . 2 1 1 A 40 40 CYS CB C 40 33.410 28.257 5.153 1
1 424 . 2 1 1 A 40 40 CYS N N 40 127.490 125.508 1.982 1
1 425 . 2 1 1 A 41 41 ASN H H 41 9.280 9.231 0.049 1
1 426 . 2 1 1 A 41 41 ASN HA H 41 4.620 4.816 -0.196 1
1 431 . 2 1 1 A 41 41 ASN C C 41 172.280 176.210 -3.930 1
1 432 . 2 1 1 A 41 41 ASN CA C 41 54.860 54.511 0.349 1
1 433 . 2 1 1 A 41 41 ASN CB C 41 38.710 39.061 -0.351 1
1 434 . 2 1 1 A 41 41 ASN N N 41 126.320 121.666 4.654 1
1 436 . 2 1 1 A 42 42 ASP H H 42 9.360 8.126 1.234 1
1 437 . 2 1 1 A 42 42 ASP HA H 42 4.940 4.804 0.136 1
1 440 . 2 1 1 A 42 42 ASP C C 42 174.400 177.692 -3.292 1
1 441 . 2 1 1 A 42 42 ASP CA C 42 56.650 55.786 0.864 1
1 442 . 2 1 1 A 42 42 ASP CB C 42 41.910 41.949 -0.039 1
1 443 . 2 1 1 A 42 42 ASP N N 42 123.070 117.798 5.272 1
1 444 . 2 1 1 A 43 43 CYS H H 43 9.260 7.944 1.316 1
1 445 . 2 1 1 A 43 43 CYS HA H 43 4.940 4.442 0.498 1
1 448 . 2 1 1 A 43 43 CYS C C 43 174.140 174.488 -0.348 1
1 449 . 2 1 1 A 43 43 CYS CA C 43 58.590 58.947 -0.357 1
1 450 . 2 1 1 A 43 43 CYS CB C 43 31.960 28.608 3.352 1
1 451 . 2 1 1 A 43 43 CYS N N 43 121.590 114.520 7.070 1
1 452 . 2 1 1 A 44 44 ASN H H 44 7.650 8.022 -0.372 1
1 453 . 2 1 1 A 44 44 ASN HA H 44 4.770 4.564 0.206 1
1 458 . 2 1 1 A 44 44 ASN C C 44 171.350 174.160 -2.810 1
1 459 . 2 1 1 A 44 44 ASN CA C 44 55.450 54.642 0.808 1
1 460 . 2 1 1 A 44 44 ASN CB C 44 37.970 36.644 1.326 1
1 461 . 2 1 1 A 44 44 ASN N N 44 118.000 115.843 2.157 1
1 463 . 2 1 1 A 45 45 GLY H H 45 9.220 8.109 1.111 1
1 464 . 2 1 1 A 45 45 GLY HA2 H 45 4.210 4.177 0.033 1
1 465 . 2 1 1 A 45 45 GLY HA3 H 45 3.510 4.180 -0.670 1
1 466 . 2 1 1 A 45 45 GLY C C 45 170.730 172.957 -2.227 1
1 467 . 2 1 1 A 45 45 GLY CA C 45 44.130 44.262 -0.132 1
1 468 . 2 1 1 A 45 45 GLY N N 45 111.320 106.892 4.428 1
1 469 . 2 1 1 A 46 46 ARG H H 46 8.600 8.749 -0.149 1
1 470 . 2 1 1 A 46 46 ARG HA H 46 5.420 5.448 -0.028 1
1 477 . 2 1 1 A 46 46 ARG C C 46 172.900 175.159 -2.259 1
1 478 . 2 1 1 A 46 46 ARG CA C 46 54.460 55.374 -0.914 1
1 479 . 2 1 1 A 46 46 ARG CB C 46 32.270 32.089 0.181 1
1 482 . 2 1 1 A 46 46 ARG N N 46 124.920 119.682 5.238 1
1 483 . 2 1 1 A 47 47 SER H H 47 8.350 8.579 -0.229 1
1 484 . 2 1 1 A 47 47 SER HA H 47 4.790 4.943 -0.153 1
1 487 . 2 1 1 A 47 47 SER C C 47 170.830 172.683 -1.853 1
1 488 . 2 1 1 A 47 47 SER CA C 47 57.720 57.688 0.032 1
1 489 . 2 1 1 A 47 47 SER CB C 47 66.390 65.806 0.584 1
1 490 . 2 1 1 A 47 47 SER N N 47 115.750 116.725 -0.975 1
1 491 . 2 1 1 A 48 48 THR H H 48 8.570 8.882 -0.312 1
1 492 . 2 1 1 A 48 48 THR HA H 48 5.210 4.781 0.429 1
1 497 . 2 1 1 A 48 48 THR C C 48 171.920 174.458 -2.538 1
1 498 . 2 1 1 A 48 48 THR CA C 48 62.350 62.426 -0.076 1
1 499 . 2 1 1 A 48 48 THR CB C 48 70.320 68.616 1.704 1
1 501 . 2 1 1 A 48 48 THR N N 48 120.420 122.058 -1.638 1
1 502 . 2 1 1 A 49 49 VAL H H 49 9.020 8.939 0.081 1
1 503 . 2 1 1 A 49 49 VAL HA H 49 4.800 5.029 -0.229 1
1 511 . 2 1 1 A 49 49 VAL C C 49 171.700 174.491 -2.791 1
1 512 . 2 1 1 A 49 49 VAL CA C 49 58.540 58.650 -0.110 1
1 513 . 2 1 1 A 49 49 VAL CB C 49 36.420 35.436 0.984 1
1 516 . 2 1 1 A 49 49 VAL N N 49 119.320 120.194 -0.874 1
1 517 . 2 1 1 A 50 50 GLN H H 50 8.320 8.531 -0.211 1
1 518 . 2 1 1 A 50 50 GLN HA H 50 4.450 4.522 -0.072 1
1 525 . 2 1 1 A 50 50 GLN C C 50 173.270 176.079 -2.809 1
1 526 . 2 1 1 A 50 50 GLN CA C 50 55.860 55.688 0.172 1
1 527 . 2 1 1 A 50 50 GLN CB C 50 29.250 29.567 -0.317 1
1 529 . 2 1 1 A 50 50 GLN N N 50 119.390 123.290 -3.900 1
1 531 . 2 1 1 A 51 51 PHE H H 51 8.690 9.012 -0.322 1
1 532 . 2 1 1 A 51 51 PHE HA H 51 4.430 4.615 -0.185 1
1 539 . 2 1 1 A 51 51 PHE C C 51 171.970 174.263 -2.293 1
1 540 . 2 1 1 A 51 51 PHE CA C 51 58.850 58.087 0.763 1
1 541 . 2 1 1 A 51 51 PHE CB C 51 40.100 39.300 0.800 1
1 546 . 2 1 1 A 51 51 PHE N N 51 125.010 127.106 -2.096 1
1 547 . 2 1 1 A 52 52 HIS H H 52 6.480 8.420 -1.940 1
1 548 . 2 1 1 A 52 52 HIS HA H 52 4.100 4.856 -0.756 1
1 553 . 2 1 1 A 52 52 HIS CA C 52 57.230 54.430 2.800 1
1 554 . 2 1 1 A 52 52 HIS CB C 52 34.130 30.787 3.343 1
1 557 . 2 1 1 A 52 52 HIS N N 52 126.100 127.503 -1.403 1
1 558 . 2 1 1 A 53 53 ILE HA H 53 3.760 3.378 0.382 1
1 568 . 2 1 1 A 53 53 ILE CA C 53 62.780 64.059 -1.279 1
1 569 . 2 1 1 A 53 53 ILE CB C 53 38.920 37.268 1.652 1
1 573 . 2 1 1 A 54 54 LEU HA H 54 4.370 4.192 0.178 1
1 583 . 2 1 1 A 54 54 LEU C C 54 174.460 176.279 -1.819 1
1 584 . 2 1 1 A 54 54 LEU CA C 54 55.430 54.611 0.819 1
1 585 . 2 1 1 A 54 54 LEU CB C 54 41.760 42.010 -0.250 1
1 589 . 2 1 1 A 55 55 GLY H H 55 7.100 7.176 -0.076 1
1 590 . 2 1 1 A 55 55 GLY HA2 H 55 4.280 4.136 0.144 1
1 591 . 2 1 1 A 55 55 GLY HA3 H 55 3.760 4.261 -0.501 1
1 592 . 2 1 1 A 55 55 GLY C C 55 182.880 173.366 9.514 1
1 593 . 2 1 1 A 55 55 GLY CA C 55 45.070 44.863 0.207 1
1 594 . 2 1 1 A 55 55 GLY N N 55 106.000 107.207 -1.207 1
1 595 . 2 1 1 A 56 56 MET H H 56 8.650 8.642 0.008 1
1 596 . 2 1 1 A 56 56 MET HA H 56 4.500 4.832 -0.332 1
1 604 . 2 1 1 A 56 56 MET C C 56 170.320 175.520 -5.200 1
1 605 . 2 1 1 A 56 56 MET CA C 56 55.110 55.848 -0.738 1
1 606 . 2 1 1 A 56 56 MET CB C 56 35.270 32.685 2.585 1
1 609 . 2 1 1 A 56 56 MET N N 56 120.630 123.128 -2.498 1
1 610 . 2 1 1 A 57 57 LYS H H 57 7.850 8.483 -0.633 1
1 611 . 2 1 1 A 57 57 LYS HA H 57 3.520 4.375 -0.855 1
1 620 . 2 1 1 A 57 57 LYS C C 57 172.230 175.917 -3.687 1
1 621 . 2 1 1 A 57 57 LYS CA C 57 54.850 54.250 0.600 1
1 622 . 2 1 1 A 57 57 LYS CB C 57 33.420 34.519 -1.099 1
1 626 . 2 1 1 A 57 57 LYS N N 57 125.140 123.115 2.025 1
1 627 . 2 1 1 A 58 58 CYS H H 58 8.680 8.426 0.254 1
1 628 . 2 1 1 A 58 58 CYS HA H 58 3.630 4.355 -0.725 1
1 631 . 2 1 1 A 58 58 CYS C C 58 175.080 176.339 -1.259 1
1 632 . 2 1 1 A 58 58 CYS CA C 58 60.100 59.660 0.440 1
1 633 . 2 1 1 A 58 58 CYS CB C 58 30.620 28.331 2.289 1
1 634 . 2 1 1 A 58 58 CYS N N 58 126.470 125.295 1.175 1
1 635 . 2 1 1 A 59 59 LYS H H 59 7.450 8.799 -1.349 1
1 636 . 2 1 1 A 59 59 LYS HA H 59 4.020 4.145 -0.125 1
1 645 . 2 1 1 A 59 59 LYS C C 59 173.460 178.472 -5.012 1
1 646 . 2 1 1 A 59 59 LYS CA C 59 57.850 58.147 -0.297 1
1 647 . 2 1 1 A 59 59 LYS CB C 59 33.080 32.290 0.790 1
1 651 . 2 1 1 A 59 59 LYS N N 59 128.510 128.025 0.485 1
1 652 . 2 1 1 A 60 60 ILE H H 60 9.120 7.331 1.789 1
1 653 . 2 1 1 A 60 60 ILE HA H 60 3.840 3.854 -0.014 1
1 663 . 2 1 1 A 60 60 ILE C C 60 174.920 177.815 -2.895 1
1 664 . 2 1 1 A 60 60 ILE CA C 60 63.990 64.562 -0.572 1
1 665 . 2 1 1 A 60 60 ILE CB C 60 38.510 38.386 0.124 1
1 669 . 2 1 1 A 60 60 ILE N N 60 122.830 118.496 4.334 1
1 670 . 2 1 1 A 61 61 CYS H H 61 8.900 7.702 1.198 1
1 671 . 2 1 1 A 61 61 CYS HA H 61 4.960 4.549 0.411 1
1 674 . 2 1 1 A 61 61 CYS C C 61 173.530 175.120 -1.590 1
1 675 . 2 1 1 A 61 61 CYS CA C 61 58.750 58.161 0.589 1
1 676 . 2 1 1 A 61 61 CYS CB C 61 32.740 29.537 3.203 1
1 677 . 2 1 1 A 61 61 CYS N N 61 120.650 114.883 5.767 1
1 678 . 2 1 1 A 62 62 GLU H H 62 7.240 7.963 -0.723 1
1 679 . 2 1 1 A 62 62 GLU HA H 62 3.830 4.025 -0.195 1
1 684 . 2 1 1 A 62 62 GLU C C 62 170.720 174.158 -3.438 1
1 685 . 2 1 1 A 62 62 GLU CA C 62 58.960 57.393 1.567 1
1 686 . 2 1 1 A 62 62 GLU CB C 62 26.790 27.120 -0.330 1
1 688 . 2 1 1 A 62 62 GLU N N 62 114.650 116.306 -1.656 1
1 689 . 2 1 1 A 63 63 SER H H 63 8.130 7.581 0.549 1
1 690 . 2 1 1 A 63 63 SER HA H 63 4.390 4.777 -0.387 1
1 693 . 2 1 1 A 63 63 SER CA C 63 58.130 56.548 1.582 1
1 694 . 2 1 1 A 63 63 SER CB C 63 64.180 64.715 -0.535 1
1 695 . 2 1 1 A 63 63 SER N N 63 114.690 114.078 0.612 1
1 696 . 2 1 1 A 64 64 TYR HA H 64 4.610 4.765 -0.155 1
1 703 . 2 1 1 A 64 64 TYR C C 64 174.140 175.426 -1.286 1
1 704 . 2 1 1 A 64 64 TYR CA C 64 59.030 58.642 0.388 1
1 705 . 2 1 1 A 64 64 TYR CB C 64 38.350 38.979 -0.629 1
1 710 . 2 1 1 A 65 65 ASN H H 65 9.410 7.416 1.994 1
1 711 . 2 1 1 A 65 65 ASN HA H 65 5.010 4.753 0.257 1
1 716 . 2 1 1 A 65 65 ASN C C 65 170.800 174.093 -3.293 1
1 717 . 2 1 1 A 65 65 ASN CA C 65 51.730 52.802 -1.072 1
1 718 . 2 1 1 A 65 65 ASN CB C 65 35.880 38.221 -2.341 1
1 719 . 2 1 1 A 65 65 ASN N N 65 124.590 119.885 4.705 1
1 721 . 2 1 1 A 66 66 THR H H 66 8.040 8.667 -0.627 1
1 722 . 2 1 1 A 66 66 THR HA H 66 4.960 5.208 -0.248 1
1 727 . 2 1 1 A 66 66 THR C C 66 169.060 172.441 -3.381 1
1 728 . 2 1 1 A 66 66 THR CA C 66 58.650 59.782 -1.132 1
1 729 . 2 1 1 A 66 66 THR CB C 66 72.830 72.791 0.039 1
1 731 . 2 1 1 A 66 66 THR N N 66 110.130 116.869 -6.739 1
1 732 . 2 1 1 A 67 67 ALA H H 67 8.560 9.077 -0.517 1
1 733 . 2 1 1 A 67 67 ALA HA H 67 4.690 5.286 -0.596 1
1 737 . 2 1 1 A 67 67 ALA C C 67 173.640 175.001 -1.361 1
1 738 . 2 1 1 A 67 67 ALA CA C 67 51.070 50.286 0.784 1
1 739 . 2 1 1 A 67 67 ALA CB C 67 22.560 23.165 -0.605 1
1 740 . 2 1 1 A 67 67 ALA N N 67 120.400 123.063 -2.663 1
1 741 . 2 1 1 A 68 68 GLN H H 68 8.910 8.543 0.367 1
1 742 . 2 1 1 A 68 68 GLN HA H 68 4.380 4.467 -0.087 1
1 749 . 2 1 1 A 68 68 GLN C C 68 173.320 175.310 -1.990 1
1 750 . 2 1 1 A 68 68 GLN CA C 68 57.610 55.944 1.666 1
1 751 . 2 1 1 A 68 68 GLN CB C 68 29.250 29.182 0.068 1
1 753 . 2 1 1 A 68 68 GLN N N 68 120.570 121.728 -1.158 1
1 755 . 2 1 1 A 69 69 ALA H H 69 8.920 8.579 0.341 1
1 756 . 2 1 1 A 69 69 ALA HA H 69 4.370 4.191 0.179 1
1 760 . 2 1 1 A 69 69 ALA C C 69 174.630 178.063 -3.433 1
1 761 . 2 1 1 A 69 69 ALA CA C 69 52.080 53.187 -1.107 1
1 762 . 2 1 1 A 69 69 ALA CB C 69 19.750 18.907 0.843 1
1 763 . 2 1 1 A 69 69 ALA N N 69 128.720 129.305 -0.585 1
1 764 . 2 1 1 A 70 70 GLY H H 70 8.330 8.993 -0.663 1
1 765 . 2 1 1 A 70 70 GLY HA2 H 70 4.000 4.060 -0.060 1
1 766 . 2 1 1 A 70 70 GLY HA3 H 70 4.000 4.060 -0.060 1
1 767 . 2 1 1 A 70 70 GLY C C 70 171.580 174.739 -3.159 1
1 768 . 2 1 1 A 70 70 GLY CA C 70 45.200 45.002 0.198 1
1 769 . 2 1 1 A 70 70 GLY N N 70 108.440 111.475 -3.035 1
1 770 . 2 1 1 A 71 71 GLY H H 71 8.330 7.917 0.413 1
1 771 . 2 1 1 A 71 71 GLY HA2 H 71 3.940 4.000 -0.060 1
1 772 . 2 1 1 A 71 71 GLY HA3 H 71 3.940 4.016 -0.076 1
1 773 . 2 1 1 A 71 71 GLY C C 71 171.150 173.096 -1.946 1
1 774 . 2 1 1 A 71 71 GLY CA C 71 45.170 44.975 0.195 1
1 775 . 2 1 1 A 71 71 GLY N N 71 108.430 108.214 0.216 1
1 776 . 2 1 1 A 72 72 ARG H H 72 8.210 8.365 -0.155 1
1 777 . 2 1 1 A 72 72 ARG HA H 72 4.340 4.439 -0.099 1
1 784 . 2 1 1 A 72 72 ARG C C 72 173.350 175.132 -1.782 1
1 785 . 2 1 1 A 72 72 ARG CA C 72 55.700 55.802 -0.102 1
1 786 . 2 1 1 A 72 72 ARG CB C 72 30.900 31.142 -0.242 1
1 789 . 2 1 1 A 72 72 ARG N N 72 120.590 120.094 0.496 1
1 790 . 2 1 1 A 73 73 ARG H H 73 8.450 8.704 -0.254 1
1 791 . 2 1 1 A 73 73 ARG HA H 73 4.350 4.904 -0.554 1
1 798 . 2 1 1 A 73 73 ARG C C 73 173.200 175.758 -2.558 1
1 799 . 2 1 1 A 73 73 ARG CA C 73 55.560 54.539 1.021 1
1 800 . 2 1 1 A 73 73 ARG CB C 73 30.690 32.769 -2.079 1
1 803 . 2 1 1 A 73 73 ARG N N 73 123.800 122.561 1.239 1
1 804 . 2 1 1 A 74 74 ILE H H 74 8.360 8.546 -0.186 1
1 805 . 2 1 1 A 74 74 ILE HA H 74 4.160 4.387 -0.227 1
1 815 . 2 1 1 A 74 74 ILE C C 74 173.230 175.472 -2.242 1
1 816 . 2 1 1 A 74 74 ILE CA C 74 61.030 60.267 0.763 1
1 817 . 2 1 1 A 74 74 ILE CB C 74 38.920 39.222 -0.302 1
1 821 . 2 1 1 A 74 74 ILE N N 74 123.330 123.970 -0.640 1
1 822 . 2 1 1 A 75 75 SER H H 75 8.340 8.512 -0.172 1
1 823 . 2 1 1 A 75 75 SER HA H 75 4.450 3.997 0.453 1
1 826 . 2 1 1 A 75 75 SER C C 75 171.620 172.907 -1.287 1
1 827 . 2 1 1 A 75 75 SER CA C 75 57.890 58.684 -0.794 1
1 828 . 2 1 1 A 75 75 SER CB C 75 64.000 61.865 2.135 1
1 829 . 2 1 1 A 75 75 SER N N 75 119.950 115.873 4.077 1
1 830 . 2 1 1 A 76 76 LEU H H 76 8.400 7.892 0.508 1
1 831 . 2 1 1 A 76 76 LEU HA H 76 4.300 4.854 -0.554 1
1 840 . 2 1 1 A 76 76 LEU C C 76 173.730 176.704 -2.974 1
1 841 . 2 1 1 A 76 76 LEU CA C 76 55.510 53.664 1.846 1
1 842 . 2 1 1 A 76 76 LEU CB C 76 42.290 44.140 -1.850 1
1 845 . 2 1 1 A 76 76 LEU N N 76 124.860 121.778 3.082 1
1 846 . 2 1 1 A 77 77 ASP H H 77 8.240 8.741 -0.501 1
1 847 . 2 1 1 A 77 77 ASP HA H 77 4.530 4.759 -0.229 1
1 850 . 2 1 1 A 77 77 ASP C C 77 173.190 176.077 -2.887 1
1 851 . 2 1 1 A 77 77 ASP CA C 77 54.540 53.454 1.086 1
1 852 . 2 1 1 A 77 77 ASP CB C 77 41.250 40.557 0.693 1
1 853 . 2 1 1 A 77 77 ASP N N 77 119.920 123.752 -3.832 1
1 854 . 2 1 1 A 78 78 GLN H H 78 8.120 7.537 0.583 1
1 855 . 2 1 1 A 78 78 GLN HA H 78 4.310 4.494 -0.184 1
1 862 . 2 1 1 A 78 78 GLN C C 78 171.810 175.686 -3.876 1
1 863 . 2 1 1 A 78 78 GLN CA C 78 55.450 55.531 -0.081 1
1 864 . 2 1 1 A 78 78 GLN CB C 78 29.920 29.886 0.034 1
1 866 . 2 1 1 A 78 78 GLN N N 78 120.080 119.817 0.263 1
1 334 . 3 1 1 A 34 34 MET HA H 34 4.620 4.568 0.052 1
1 342 . 3 1 1 A 34 34 MET C C 34 172.400 176.049 -3.649 1
1 343 . 3 1 1 A 34 34 MET CA C 34 55.830 55.190 0.640 1
1 344 . 3 1 1 A 34 34 MET CB C 34 34.150 32.949 1.201 1
1 347 . 3 1 1 A 35 35 THR H H 35 8.280 8.566 -0.286 1
1 348 . 3 1 1 A 35 35 THR HA H 35 5.030 5.319 -0.289 1
1 353 . 3 1 1 A 35 35 THR C C 35 171.200 174.239 -3.039 1
1 354 . 3 1 1 A 35 35 THR CA C 35 60.370 60.729 -0.359 1
1 355 . 3 1 1 A 35 35 THR CB C 35 71.110 70.125 0.985 1
1 357 . 3 1 1 A 35 35 THR N N 35 116.750 115.435 1.315 1
1 358 . 3 1 1 A 36 36 VAL H H 36 9.240 9.506 -0.266 1
1 359 . 3 1 1 A 36 36 VAL HA H 36 4.560 4.972 -0.412 1
1 367 . 3 1 1 A 36 36 VAL C C 36 170.520 173.204 -2.684 1
1 368 . 3 1 1 A 36 36 VAL CA C 36 59.740 58.632 1.108 1
1 369 . 3 1 1 A 36 36 VAL CB C 36 36.040 35.126 0.914 1
1 372 . 3 1 1 A 36 36 VAL N N 36 117.880 120.818 -2.938 1
1 373 . 3 1 1 A 37 37 ASP H H 37 8.330 8.971 -0.641 1
1 374 . 3 1 1 A 37 37 ASP HA H 37 5.470 5.550 -0.080 1
1 377 . 3 1 1 A 37 37 ASP C C 37 173.810 175.162 -1.352 1
1 378 . 3 1 1 A 37 37 ASP CA C 37 53.140 52.810 0.330 1
1 379 . 3 1 1 A 37 37 ASP CB C 37 40.960 44.311 -3.351 1
1 380 . 3 1 1 A 37 37 ASP N N 37 123.580 122.558 1.022 1
1 381 . 3 1 1 A 38 38 ILE H H 38 9.310 8.991 0.319 1
1 382 . 3 1 1 A 38 38 ILE HA H 38 5.060 5.021 0.039 1
1 392 . 3 1 1 A 38 38 ILE C C 38 171.700 174.185 -2.485 1
1 393 . 3 1 1 A 38 38 ILE CA C 38 59.260 59.190 0.070 1
1 394 . 3 1 1 A 38 38 ILE CB C 38 43.150 40.890 2.260 1
1 398 . 3 1 1 A 38 38 ILE N N 38 116.250 120.626 -4.376 1
1 399 . 3 1 1 A 39 39 LEU H H 39 8.840 9.208 -0.368 1
1 400 . 3 1 1 A 39 39 LEU HA H 39 4.830 5.147 -0.317 1
1 410 . 3 1 1 A 39 39 LEU C C 39 172.350 175.816 -3.466 1
1 411 . 3 1 1 A 39 39 LEU CA C 39 53.060 53.345 -0.285 1
1 412 . 3 1 1 A 39 39 LEU CB C 39 45.380 45.215 0.165 1
1 416 . 3 1 1 A 39 39 LEU N N 39 121.570 127.172 -5.602 1
1 417 . 3 1 1 A 40 40 CYS H H 40 8.460 8.766 -0.306 1
1 418 . 3 1 1 A 40 40 CYS HA H 40 4.390 4.622 -0.232 1
1 421 . 3 1 1 A 40 40 CYS C C 40 174.410 174.324 0.086 1
1 422 . 3 1 1 A 40 40 CYS CA C 40 58.530 59.503 -0.973 1
1 423 . 3 1 1 A 40 40 CYS CB C 40 33.410 27.426 5.984 1
1 424 . 3 1 1 A 40 40 CYS N N 40 127.490 125.394 2.096 1
1 425 . 3 1 1 A 41 41 ASN H H 41 9.280 8.988 0.292 1
1 426 . 3 1 1 A 41 41 ASN HA H 41 4.620 4.639 -0.019 1
1 431 . 3 1 1 A 41 41 ASN C C 41 172.280 176.382 -4.102 1
1 432 . 3 1 1 A 41 41 ASN CA C 41 54.860 54.929 -0.069 1
1 433 . 3 1 1 A 41 41 ASN CB C 41 38.710 38.896 -0.186 1
1 434 . 3 1 1 A 41 41 ASN N N 41 126.320 123.315 3.005 1
1 436 . 3 1 1 A 42 42 ASP H H 42 9.360 8.145 1.215 1
1 437 . 3 1 1 A 42 42 ASP HA H 42 4.940 4.632 0.308 1
1 440 . 3 1 1 A 42 42 ASP C C 42 174.400 177.600 -3.200 1
1 441 . 3 1 1 A 42 42 ASP CA C 42 56.650 56.902 -0.252 1
1 442 . 3 1 1 A 42 42 ASP CB C 42 41.910 41.224 0.686 1
1 443 . 3 1 1 A 42 42 ASP N N 42 123.070 116.893 6.177 1
1 444 . 3 1 1 A 43 43 CYS H H 43 9.260 7.829 1.431 1
1 445 . 3 1 1 A 43 43 CYS HA H 43 4.940 4.421 0.519 1
1 448 . 3 1 1 A 43 43 CYS C C 43 174.140 174.338 -0.198 1
1 449 . 3 1 1 A 43 43 CYS CA C 43 58.590 58.486 0.104 1
1 450 . 3 1 1 A 43 43 CYS CB C 43 31.960 27.838 4.122 1
1 451 . 3 1 1 A 43 43 CYS N N 43 121.590 114.851 6.739 1
1 452 . 3 1 1 A 44 44 ASN H H 44 7.650 8.031 -0.381 1
1 453 . 3 1 1 A 44 44 ASN HA H 44 4.770 4.484 0.286 1
1 458 . 3 1 1 A 44 44 ASN C C 44 171.350 174.202 -2.852 1
1 459 . 3 1 1 A 44 44 ASN CA C 44 55.450 54.711 0.739 1
1 460 . 3 1 1 A 44 44 ASN CB C 44 37.970 36.778 1.192 1
1 461 . 3 1 1 A 44 44 ASN N N 44 118.000 115.959 2.041 1
1 463 . 3 1 1 A 45 45 GLY H H 45 9.220 8.025 1.195 1
1 464 . 3 1 1 A 45 45 GLY HA2 H 45 4.210 4.213 -0.003 1
1 465 . 3 1 1 A 45 45 GLY HA3 H 45 3.510 4.217 -0.707 1
1 466 . 3 1 1 A 45 45 GLY C C 45 170.730 172.690 -1.960 1
1 467 . 3 1 1 A 45 45 GLY CA C 45 44.130 44.386 -0.256 1
1 468 . 3 1 1 A 45 45 GLY N N 45 111.320 106.712 4.608 1
1 469 . 3 1 1 A 46 46 ARG H H 46 8.600 8.793 -0.193 1
1 470 . 3 1 1 A 46 46 ARG HA H 46 5.420 5.452 -0.032 1
1 477 . 3 1 1 A 46 46 ARG C C 46 172.900 174.968 -2.068 1
1 478 . 3 1 1 A 46 46 ARG CA C 46 54.460 54.943 -0.483 1
1 479 . 3 1 1 A 46 46 ARG CB C 46 32.270 32.814 -0.544 1
1 482 . 3 1 1 A 46 46 ARG N N 46 124.920 120.428 4.492 1
1 483 . 3 1 1 A 47 47 SER H H 47 8.350 8.537 -0.187 1
1 484 . 3 1 1 A 47 47 SER HA H 47 4.790 4.901 -0.111 1
1 487 . 3 1 1 A 47 47 SER C C 47 170.830 172.694 -1.864 1
1 488 . 3 1 1 A 47 47 SER CA C 47 57.720 57.536 0.184 1
1 489 . 3 1 1 A 47 47 SER CB C 47 66.390 66.328 0.062 1
1 490 . 3 1 1 A 47 47 SER N N 47 115.750 116.479 -0.729 1
1 491 . 3 1 1 A 48 48 THR H H 48 8.570 8.727 -0.157 1
1 492 . 3 1 1 A 48 48 THR HA H 48 5.210 5.092 0.118 1
1 497 . 3 1 1 A 48 48 THR C C 48 171.920 174.350 -2.430 1
1 498 . 3 1 1 A 48 48 THR CA C 48 62.350 61.985 0.365 1
1 499 . 3 1 1 A 48 48 THR CB C 48 70.320 69.254 1.066 1
1 501 . 3 1 1 A 48 48 THR N N 48 120.420 120.819 -0.399 1
1 502 . 3 1 1 A 49 49 VAL H H 49 9.020 8.833 0.187 1
1 503 . 3 1 1 A 49 49 VAL HA H 49 4.800 5.034 -0.234 1
1 511 . 3 1 1 A 49 49 VAL C C 49 171.700 175.044 -3.344 1
1 512 . 3 1 1 A 49 49 VAL CA C 49 58.540 58.959 -0.419 1
1 513 . 3 1 1 A 49 49 VAL CB C 49 36.420 35.351 1.069 1
1 516 . 3 1 1 A 49 49 VAL N N 49 119.320 120.101 -0.781 1
1 517 . 3 1 1 A 50 50 GLN H H 50 8.320 8.202 0.118 1
1 518 . 3 1 1 A 50 50 GLN HA H 50 4.450 4.458 -0.008 1
1 525 . 3 1 1 A 50 50 GLN C C 50 173.270 175.534 -2.264 1
1 526 . 3 1 1 A 50 50 GLN CA C 50 55.860 55.930 -0.070 1
1 527 . 3 1 1 A 50 50 GLN CB C 50 29.250 29.207 0.043 1
1 529 . 3 1 1 A 50 50 GLN N N 50 119.390 121.357 -1.967 1
1 531 . 3 1 1 A 51 51 PHE H H 51 8.690 8.908 -0.218 1
1 532 . 3 1 1 A 51 51 PHE HA H 51 4.430 4.635 -0.205 1
1 539 . 3 1 1 A 51 51 PHE C C 51 171.970 174.305 -2.335 1
1 540 . 3 1 1 A 51 51 PHE CA C 51 58.850 58.005 0.845 1
1 541 . 3 1 1 A 51 51 PHE CB C 51 40.100 39.050 1.050 1
1 546 . 3 1 1 A 51 51 PHE N N 51 125.010 123.092 1.918 1
1 547 . 3 1 1 A 52 52 HIS H H 52 6.480 8.492 -2.012 1
1 548 . 3 1 1 A 52 52 HIS HA H 52 4.100 4.910 -0.810 1
1 553 . 3 1 1 A 52 52 HIS CA C 52 57.230 54.663 2.567 1
1 554 . 3 1 1 A 52 52 HIS CB C 52 34.130 31.587 2.543 1
1 557 . 3 1 1 A 52 52 HIS N N 52 126.100 127.497 -1.397 1
1 558 . 3 1 1 A 53 53 ILE HA H 53 3.760 3.479 0.281 1
1 568 . 3 1 1 A 53 53 ILE CA C 53 62.780 63.724 -0.944 1
1 569 . 3 1 1 A 53 53 ILE CB C 53 38.920 37.376 1.544 1
1 573 . 3 1 1 A 54 54 LEU HA H 54 4.370 4.119 0.251 1
1 583 . 3 1 1 A 54 54 LEU C C 54 174.460 176.007 -1.547 1
1 584 . 3 1 1 A 54 54 LEU CA C 54 55.430 54.468 0.962 1
1 585 . 3 1 1 A 54 54 LEU CB C 54 41.760 42.001 -0.241 1
1 589 . 3 1 1 A 55 55 GLY H H 55 7.100 6.867 0.233 1
1 590 . 3 1 1 A 55 55 GLY HA2 H 55 4.280 3.799 0.481 1
1 591 . 3 1 1 A 55 55 GLY HA3 H 55 3.760 4.010 -0.250 1
1 592 . 3 1 1 A 55 55 GLY C C 55 182.880 173.111 9.769 1
1 593 . 3 1 1 A 55 55 GLY CA C 55 45.070 44.464 0.606 1
1 594 . 3 1 1 A 55 55 GLY N N 55 106.000 106.901 -0.901 1
1 595 . 3 1 1 A 56 56 MET H H 56 8.650 8.731 -0.081 1
1 596 . 3 1 1 A 56 56 MET HA H 56 4.500 5.060 -0.560 1
1 604 . 3 1 1 A 56 56 MET C C 56 170.320 175.540 -5.220 1
1 605 . 3 1 1 A 56 56 MET CA C 56 55.110 55.278 -0.168 1
1 606 . 3 1 1 A 56 56 MET CB C 56 35.270 32.913 2.357 1
1 609 . 3 1 1 A 56 56 MET N N 56 120.630 122.891 -2.261 1
1 610 . 3 1 1 A 57 57 LYS H H 57 7.850 8.888 -1.038 1
1 611 . 3 1 1 A 57 57 LYS HA H 57 3.520 4.725 -1.205 1
1 620 . 3 1 1 A 57 57 LYS C C 57 172.230 175.904 -3.674 1
1 621 . 3 1 1 A 57 57 LYS CA C 57 54.850 54.811 0.039 1
1 622 . 3 1 1 A 57 57 LYS CB C 57 33.420 33.934 -0.514 1
1 626 . 3 1 1 A 57 57 LYS N N 57 125.140 124.797 0.343 1
1 627 . 3 1 1 A 58 58 CYS H H 58 8.680 8.292 0.388 1
1 628 . 3 1 1 A 58 58 CYS HA H 58 3.630 4.388 -0.758 1
1 631 . 3 1 1 A 58 58 CYS C C 58 175.080 176.059 -0.979 1
1 632 . 3 1 1 A 58 58 CYS CA C 58 60.100 59.833 0.267 1
1 633 . 3 1 1 A 58 58 CYS CB C 58 30.620 28.244 2.376 1
1 634 . 3 1 1 A 58 58 CYS N N 58 126.470 125.311 1.159 1
1 635 . 3 1 1 A 59 59 LYS H H 59 7.450 9.097 -1.647 1
1 636 . 3 1 1 A 59 59 LYS HA H 59 4.020 4.197 -0.177 1
1 645 . 3 1 1 A 59 59 LYS C C 59 173.460 177.835 -4.375 1
1 646 . 3 1 1 A 59 59 LYS CA C 59 57.850 57.896 -0.046 1
1 647 . 3 1 1 A 59 59 LYS CB C 59 33.080 32.350 0.730 1
1 651 . 3 1 1 A 59 59 LYS N N 59 128.510 128.140 0.370 1
1 652 . 3 1 1 A 60 60 ILE H H 60 9.120 7.470 1.650 1
1 653 . 3 1 1 A 60 60 ILE HA H 60 3.840 4.001 -0.161 1
1 663 . 3 1 1 A 60 60 ILE C C 60 174.920 177.611 -2.691 1
1 664 . 3 1 1 A 60 60 ILE CA C 60 63.990 63.717 0.273 1
1 665 . 3 1 1 A 60 60 ILE CB C 60 38.510 38.697 -0.187 1
1 669 . 3 1 1 A 60 60 ILE N N 60 122.830 117.808 5.022 1
1 670 . 3 1 1 A 61 61 CYS H H 61 8.900 7.735 1.165 1
1 671 . 3 1 1 A 61 61 CYS HA H 61 4.960 4.560 0.400 1
1 674 . 3 1 1 A 61 61 CYS C C 61 173.530 175.380 -1.850 1
1 675 . 3 1 1 A 61 61 CYS CA C 61 58.750 58.430 0.320 1
1 676 . 3 1 1 A 61 61 CYS CB C 61 32.740 29.879 2.861 1
1 677 . 3 1 1 A 61 61 CYS N N 61 120.650 116.080 4.570 1
1 678 . 3 1 1 A 62 62 GLU H H 62 7.240 7.965 -0.725 1
1 679 . 3 1 1 A 62 62 GLU HA H 62 3.830 4.056 -0.226 1
1 684 . 3 1 1 A 62 62 GLU C C 62 170.720 174.631 -3.911 1
1 685 . 3 1 1 A 62 62 GLU CA C 62 58.960 57.388 1.572 1
1 686 . 3 1 1 A 62 62 GLU CB C 62 26.790 26.876 -0.086 1
1 688 . 3 1 1 A 62 62 GLU N N 62 114.650 116.606 -1.956 1
1 689 . 3 1 1 A 63 63 SER H H 63 8.130 7.301 0.829 1
1 690 . 3 1 1 A 63 63 SER HA H 63 4.390 4.521 -0.131 1
1 693 . 3 1 1 A 63 63 SER CA C 63 58.130 57.219 0.911 1
1 694 . 3 1 1 A 63 63 SER CB C 63 64.180 65.079 -0.899 1
1 695 . 3 1 1 A 63 63 SER N N 63 114.690 114.444 0.246 1
1 696 . 3 1 1 A 64 64 TYR HA H 64 4.610 4.852 -0.242 1
1 703 . 3 1 1 A 64 64 TYR C C 64 174.140 175.337 -1.197 1
1 704 . 3 1 1 A 64 64 TYR CA C 64 59.030 57.721 1.309 1
1 705 . 3 1 1 A 64 64 TYR CB C 64 38.350 38.704 -0.354 1
1 710 . 3 1 1 A 65 65 ASN H H 65 9.410 7.729 1.681 1
1 711 . 3 1 1 A 65 65 ASN HA H 65 5.010 4.766 0.244 1
1 716 . 3 1 1 A 65 65 ASN C C 65 170.800 173.642 -2.842 1
1 717 . 3 1 1 A 65 65 ASN CA C 65 51.730 52.286 -0.556 1
1 718 . 3 1 1 A 65 65 ASN CB C 65 35.880 37.464 -1.584 1
1 719 . 3 1 1 A 65 65 ASN N N 65 124.590 120.919 3.671 1
1 721 . 3 1 1 A 66 66 THR H H 66 8.040 8.325 -0.285 1
1 722 . 3 1 1 A 66 66 THR HA H 66 4.960 5.155 -0.195 1
1 727 . 3 1 1 A 66 66 THR C C 66 169.060 173.035 -3.975 1
1 728 . 3 1 1 A 66 66 THR CA C 66 58.650 59.827 -1.177 1
1 729 . 3 1 1 A 66 66 THR CB C 66 72.830 72.553 0.277 1
1 731 . 3 1 1 A 66 66 THR N N 66 110.130 115.539 -5.409 1
1 732 . 3 1 1 A 67 67 ALA H H 67 8.560 9.102 -0.542 1
1 733 . 3 1 1 A 67 67 ALA HA H 67 4.690 5.282 -0.592 1
1 737 . 3 1 1 A 67 67 ALA C C 67 173.640 175.546 -1.906 1
1 738 . 3 1 1 A 67 67 ALA CA C 67 51.070 50.202 0.868 1
1 739 . 3 1 1 A 67 67 ALA CB C 67 22.560 22.302 0.258 1
1 740 . 3 1 1 A 67 67 ALA N N 67 120.400 123.656 -3.256 1
1 741 . 3 1 1 A 68 68 GLN H H 68 8.910 8.659 0.251 1
1 742 . 3 1 1 A 68 68 GLN HA H 68 4.380 4.404 -0.024 1
1 749 . 3 1 1 A 68 68 GLN C C 68 173.320 175.477 -2.157 1
1 750 . 3 1 1 A 68 68 GLN CA C 68 57.610 56.228 1.382 1
1 751 . 3 1 1 A 68 68 GLN CB C 68 29.250 29.329 -0.079 1
1 753 . 3 1 1 A 68 68 GLN N N 68 120.570 123.217 -2.647 1
1 755 . 3 1 1 A 69 69 ALA H H 69 8.920 8.497 0.423 1
1 756 . 3 1 1 A 69 69 ALA HA H 69 4.370 4.273 0.097 1
1 760 . 3 1 1 A 69 69 ALA C C 69 174.630 178.403 -3.773 1
1 761 . 3 1 1 A 69 69 ALA CA C 69 52.080 53.124 -1.044 1
1 762 . 3 1 1 A 69 69 ALA CB C 69 19.750 19.846 -0.096 1
1 763 . 3 1 1 A 69 69 ALA N N 69 128.720 129.219 -0.499 1
1 764 . 3 1 1 A 70 70 GLY H H 70 8.330 7.753 0.577 1
1 765 . 3 1 1 A 70 70 GLY HA2 H 70 4.000 3.981 0.019 1
1 766 . 3 1 1 A 70 70 GLY HA3 H 70 4.000 3.986 0.014 1
1 767 . 3 1 1 A 70 70 GLY C C 70 171.580 173.976 -2.396 1
1 768 . 3 1 1 A 70 70 GLY CA C 70 45.200 47.037 -1.837 1
1 769 . 3 1 1 A 70 70 GLY N N 70 108.440 105.129 3.311 1
1 770 . 3 1 1 A 71 71 GLY H H 71 8.330 8.400 -0.070 1
1 771 . 3 1 1 A 71 71 GLY HA2 H 71 3.940 4.364 -0.424 1
1 772 . 3 1 1 A 71 71 GLY HA3 H 71 3.940 4.366 -0.426 1
1 773 . 3 1 1 A 71 71 GLY C C 71 171.150 172.234 -1.084 1
1 774 . 3 1 1 A 71 71 GLY CA C 71 45.170 44.249 0.921 1
1 775 . 3 1 1 A 71 71 GLY N N 71 108.430 112.125 -3.695 1
1 776 . 3 1 1 A 72 72 ARG H H 72 8.210 8.330 -0.120 1
1 777 . 3 1 1 A 72 72 ARG HA H 72 4.340 4.402 -0.062 1
1 784 . 3 1 1 A 72 72 ARG C C 72 173.350 176.211 -2.861 1
1 785 . 3 1 1 A 72 72 ARG CA C 72 55.700 56.163 -0.463 1
1 786 . 3 1 1 A 72 72 ARG CB C 72 30.900 30.966 -0.066 1
1 789 . 3 1 1 A 72 72 ARG N N 72 120.590 121.171 -0.581 1
1 790 . 3 1 1 A 73 73 ARG H H 73 8.450 8.756 -0.306 1
1 791 . 3 1 1 A 73 73 ARG HA H 73 4.350 4.607 -0.257 1
1 798 . 3 1 1 A 73 73 ARG C C 73 173.200 175.436 -2.236 1
1 799 . 3 1 1 A 73 73 ARG CA C 73 55.560 56.694 -1.134 1
1 800 . 3 1 1 A 73 73 ARG CB C 73 30.690 30.658 0.032 1
1 803 . 3 1 1 A 73 73 ARG N N 73 123.800 123.347 0.453 1
1 804 . 3 1 1 A 74 74 ILE H H 74 8.360 8.909 -0.549 1
1 805 . 3 1 1 A 74 74 ILE HA H 74 4.160 4.754 -0.594 1
1 815 . 3 1 1 A 74 74 ILE C C 74 173.230 174.751 -1.521 1
1 816 . 3 1 1 A 74 74 ILE CA C 74 61.030 60.158 0.872 1
1 817 . 3 1 1 A 74 74 ILE CB C 74 38.920 39.660 -0.740 1
1 821 . 3 1 1 A 74 74 ILE N N 74 123.330 128.778 -5.448 1
1 822 . 3 1 1 A 75 75 SER H H 75 8.340 8.863 -0.523 1
1 823 . 3 1 1 A 75 75 SER HA H 75 4.450 4.721 -0.271 1
1 826 . 3 1 1 A 75 75 SER C C 75 171.620 173.206 -1.586 1
1 827 . 3 1 1 A 75 75 SER CA C 75 57.890 56.931 0.959 1
1 828 . 3 1 1 A 75 75 SER CB C 75 64.000 63.667 0.333 1
1 829 . 3 1 1 A 75 75 SER N N 75 119.950 126.052 -6.102 1
1 830 . 3 1 1 A 76 76 LEU H H 76 8.400 8.987 -0.587 1
1 831 . 3 1 1 A 76 76 LEU HA H 76 4.300 4.760 -0.460 1
1 840 . 3 1 1 A 76 76 LEU C C 76 173.730 176.485 -2.755 1
1 841 . 3 1 1 A 76 76 LEU CA C 76 55.510 54.387 1.123 1
1 842 . 3 1 1 A 76 76 LEU CB C 76 42.290 43.011 -0.721 1
1 845 . 3 1 1 A 76 76 LEU N N 76 124.860 130.849 -5.989 1
1 846 . 3 1 1 A 77 77 ASP H H 77 8.240 8.572 -0.332 1
1 847 . 3 1 1 A 77 77 ASP HA H 77 4.530 5.028 -0.498 1
1 850 . 3 1 1 A 77 77 ASP C C 77 173.190 177.050 -3.860 1
1 851 . 3 1 1 A 77 77 ASP CA C 77 54.540 52.820 1.720 1
1 852 . 3 1 1 A 77 77 ASP CB C 77 41.250 41.097 0.153 1
1 853 . 3 1 1 A 77 77 ASP N N 77 119.920 122.974 -3.054 1
1 854 . 3 1 1 A 78 78 GLN H H 78 8.120 8.026 0.094 1
1 855 . 3 1 1 A 78 78 GLN HA H 78 4.310 4.012 0.298 1
1 862 . 3 1 1 A 78 78 GLN C C 78 171.810 177.306 -5.496 1
1 863 . 3 1 1 A 78 78 GLN CA C 78 55.450 58.728 -3.278 1
1 864 . 3 1 1 A 78 78 GLN CB C 78 29.920 28.329 1.591 1
1 866 . 3 1 1 A 78 78 GLN N N 78 120.080 120.485 -0.405 1
1 334 . 4 1 1 A 34 34 MET HA H 34 4.620 5.071 -0.451 1
1 342 . 4 1 1 A 34 34 MET C C 34 172.400 174.856 -2.456 1
1 343 . 4 1 1 A 34 34 MET CA C 34 55.830 53.898 1.932 1
1 344 . 4 1 1 A 34 34 MET CB C 34 34.150 34.252 -0.102 1
1 347 . 4 1 1 A 35 35 THR H H 35 8.280 8.824 -0.544 1
1 348 . 4 1 1 A 35 35 THR HA H 35 5.030 5.791 -0.761 1
1 353 . 4 1 1 A 35 35 THR C C 35 171.200 174.194 -2.994 1
1 354 . 4 1 1 A 35 35 THR CA C 35 60.370 60.635 -0.265 1
1 355 . 4 1 1 A 35 35 THR CB C 35 71.110 70.773 0.337 1
1 357 . 4 1 1 A 35 35 THR N N 35 116.750 118.099 -1.349 1
1 358 . 4 1 1 A 36 36 VAL H H 36 9.240 9.269 -0.029 1
1 359 . 4 1 1 A 36 36 VAL HA H 36 4.560 4.920 -0.360 1
1 367 . 4 1 1 A 36 36 VAL C C 36 170.520 173.733 -3.213 1
1 368 . 4 1 1 A 36 36 VAL CA C 36 59.740 58.977 0.763 1
1 369 . 4 1 1 A 36 36 VAL CB C 36 36.040 34.974 1.066 1
1 372 . 4 1 1 A 36 36 VAL N N 36 117.880 120.899 -3.019 1
1 373 . 4 1 1 A 37 37 ASP H H 37 8.330 8.821 -0.491 1
1 374 . 4 1 1 A 37 37 ASP HA H 37 5.470 5.182 0.288 1
1 377 . 4 1 1 A 37 37 ASP C C 37 173.810 175.805 -1.995 1
1 378 . 4 1 1 A 37 37 ASP CA C 37 53.140 53.221 -0.081 1
1 379 . 4 1 1 A 37 37 ASP CB C 37 40.960 42.764 -1.804 1
1 380 . 4 1 1 A 37 37 ASP N N 37 123.580 123.799 -0.219 1
1 381 . 4 1 1 A 38 38 ILE H H 38 9.310 8.821 0.489 1
1 382 . 4 1 1 A 38 38 ILE HA H 38 5.060 5.018 0.042 1
1 392 . 4 1 1 A 38 38 ILE C C 38 171.700 174.093 -2.393 1
1 393 . 4 1 1 A 38 38 ILE CA C 38 59.260 59.260 0.000 1
1 394 . 4 1 1 A 38 38 ILE CB C 38 43.150 40.759 2.391 1
1 398 . 4 1 1 A 38 38 ILE N N 38 116.250 120.069 -3.819 1
1 399 . 4 1 1 A 39 39 LEU H H 39 8.840 8.886 -0.046 1
1 400 . 4 1 1 A 39 39 LEU HA H 39 4.830 5.174 -0.344 1
1 410 . 4 1 1 A 39 39 LEU C C 39 172.350 175.880 -3.530 1
1 411 . 4 1 1 A 39 39 LEU CA C 39 53.060 53.615 -0.555 1
1 412 . 4 1 1 A 39 39 LEU CB C 39 45.380 45.149 0.231 1
1 416 . 4 1 1 A 39 39 LEU N N 39 121.570 126.650 -5.080 1
1 417 . 4 1 1 A 40 40 CYS H H 40 8.460 8.549 -0.089 1
1 418 . 4 1 1 A 40 40 CYS HA H 40 4.390 4.450 -0.060 1
1 421 . 4 1 1 A 40 40 CYS C C 40 174.410 174.612 -0.202 1
1 422 . 4 1 1 A 40 40 CYS CA C 40 58.530 59.593 -1.063 1
1 423 . 4 1 1 A 40 40 CYS CB C 40 33.410 28.307 5.103 1
1 424 . 4 1 1 A 40 40 CYS N N 40 127.490 124.572 2.918 1
1 425 . 4 1 1 A 41 41 ASN H H 41 9.280 9.141 0.139 1
1 426 . 4 1 1 A 41 41 ASN HA H 41 4.620 4.667 -0.047 1
1 431 . 4 1 1 A 41 41 ASN C C 41 172.280 176.198 -3.918 1
1 432 . 4 1 1 A 41 41 ASN CA C 41 54.860 54.844 0.016 1
1 433 . 4 1 1 A 41 41 ASN CB C 41 38.710 39.568 -0.858 1
1 434 . 4 1 1 A 41 41 ASN N N 41 126.320 124.244 2.076 1
1 436 . 4 1 1 A 42 42 ASP H H 42 9.360 8.034 1.326 1
1 437 . 4 1 1 A 42 42 ASP HA H 42 4.940 4.776 0.164 1
1 440 . 4 1 1 A 42 42 ASP C C 42 174.400 177.595 -3.195 1
1 441 . 4 1 1 A 42 42 ASP CA C 42 56.650 56.312 0.338 1
1 442 . 4 1 1 A 42 42 ASP CB C 42 41.910 41.675 0.235 1
1 443 . 4 1 1 A 42 42 ASP N N 42 123.070 117.089 5.981 1
1 444 . 4 1 1 A 43 43 CYS H H 43 9.260 7.812 1.448 1
1 445 . 4 1 1 A 43 43 CYS HA H 43 4.940 4.413 0.527 1
1 448 . 4 1 1 A 43 43 CYS C C 43 174.140 174.426 -0.286 1
1 449 . 4 1 1 A 43 43 CYS CA C 43 58.590 58.735 -0.145 1
1 450 . 4 1 1 A 43 43 CYS CB C 43 31.960 27.493 4.467 1
1 451 . 4 1 1 A 43 43 CYS N N 43 121.590 114.851 6.739 1
1 452 . 4 1 1 A 44 44 ASN H H 44 7.650 7.993 -0.343 1
1 453 . 4 1 1 A 44 44 ASN HA H 44 4.770 4.329 0.441 1
1 458 . 4 1 1 A 44 44 ASN C C 44 171.350 174.220 -2.870 1
1 459 . 4 1 1 A 44 44 ASN CA C 44 55.450 54.641 0.809 1
1 460 . 4 1 1 A 44 44 ASN CB C 44 37.970 36.714 1.256 1
1 461 . 4 1 1 A 44 44 ASN N N 44 118.000 116.367 1.633 1
1 463 . 4 1 1 A 45 45 GLY H H 45 9.220 8.006 1.214 1
1 464 . 4 1 1 A 45 45 GLY HA2 H 45 4.210 4.221 -0.011 1
1 465 . 4 1 1 A 45 45 GLY HA3 H 45 3.510 4.221 -0.711 1
1 466 . 4 1 1 A 45 45 GLY C C 45 170.730 172.862 -2.132 1
1 467 . 4 1 1 A 45 45 GLY CA C 45 44.130 44.503 -0.373 1
1 468 . 4 1 1 A 45 45 GLY N N 45 111.320 106.178 5.142 1
1 469 . 4 1 1 A 46 46 ARG H H 46 8.600 8.628 -0.028 1
1 470 . 4 1 1 A 46 46 ARG HA H 46 5.420 5.451 -0.031 1
1 477 . 4 1 1 A 46 46 ARG C C 46 172.900 175.472 -2.572 1
1 478 . 4 1 1 A 46 46 ARG CA C 46 54.460 55.545 -1.085 1
1 479 . 4 1 1 A 46 46 ARG CB C 46 32.270 32.042 0.228 1
1 482 . 4 1 1 A 46 46 ARG N N 46 124.920 122.055 2.865 1
1 483 . 4 1 1 A 47 47 SER H H 47 8.350 8.595 -0.245 1
1 484 . 4 1 1 A 47 47 SER HA H 47 4.790 5.069 -0.279 1
1 487 . 4 1 1 A 47 47 SER C C 47 170.830 173.040 -2.210 1
1 488 . 4 1 1 A 47 47 SER CA C 47 57.720 57.658 0.062 1
1 489 . 4 1 1 A 47 47 SER CB C 47 66.390 65.760 0.630 1
1 490 . 4 1 1 A 47 47 SER N N 47 115.750 117.006 -1.256 1
1 491 . 4 1 1 A 48 48 THR H H 48 8.570 8.788 -0.218 1
1 492 . 4 1 1 A 48 48 THR HA H 48 5.210 4.591 0.619 1
1 497 . 4 1 1 A 48 48 THR C C 48 171.920 174.235 -2.315 1
1 498 . 4 1 1 A 48 48 THR CA C 48 62.350 62.893 -0.543 1
1 499 . 4 1 1 A 48 48 THR CB C 48 70.320 68.823 1.497 1
1 501 . 4 1 1 A 48 48 THR N N 48 120.420 122.269 -1.849 1
1 502 . 4 1 1 A 49 49 VAL H H 49 9.020 8.800 0.220 1
1 503 . 4 1 1 A 49 49 VAL HA H 49 4.800 5.059 -0.259 1
1 511 . 4 1 1 A 49 49 VAL C C 49 171.700 175.485 -3.785 1
1 512 . 4 1 1 A 49 49 VAL CA C 49 58.540 58.933 -0.393 1
1 513 . 4 1 1 A 49 49 VAL CB C 49 36.420 35.372 1.048 1
1 516 . 4 1 1 A 49 49 VAL N N 49 119.320 120.461 -1.141 1
1 517 . 4 1 1 A 50 50 GLN H H 50 8.320 8.256 0.064 1
1 518 . 4 1 1 A 50 50 GLN HA H 50 4.450 4.957 -0.507 1
1 525 . 4 1 1 A 50 50 GLN C C 50 173.270 175.920 -2.650 1
1 526 . 4 1 1 A 50 50 GLN CA C 50 55.860 55.579 0.281 1
1 527 . 4 1 1 A 50 50 GLN CB C 50 29.250 29.724 -0.474 1
1 529 . 4 1 1 A 50 50 GLN N N 50 119.390 120.035 -0.645 1
1 531 . 4 1 1 A 51 51 PHE H H 51 8.690 8.703 -0.013 1
1 532 . 4 1 1 A 51 51 PHE HA H 51 4.430 4.669 -0.239 1
1 539 . 4 1 1 A 51 51 PHE C C 51 171.970 174.339 -2.369 1
1 540 . 4 1 1 A 51 51 PHE CA C 51 58.850 58.928 -0.078 1
1 541 . 4 1 1 A 51 51 PHE CB C 51 40.100 39.295 0.805 1
1 546 . 4 1 1 A 51 51 PHE N N 51 125.010 123.821 1.189 1
1 547 . 4 1 1 A 52 52 HIS H H 52 6.480 8.228 -1.748 1
1 548 . 4 1 1 A 52 52 HIS HA H 52 4.100 4.832 -0.732 1
1 553 . 4 1 1 A 52 52 HIS CA C 52 57.230 54.522 2.708 1
1 554 . 4 1 1 A 52 52 HIS CB C 52 34.130 31.641 2.489 1
1 557 . 4 1 1 A 52 52 HIS N N 52 126.100 127.565 -1.465 1
1 558 . 4 1 1 A 53 53 ILE HA H 53 3.760 3.451 0.309 1
1 568 . 4 1 1 A 53 53 ILE CA C 53 62.780 64.401 -1.621 1
1 569 . 4 1 1 A 53 53 ILE CB C 53 38.920 37.350 1.570 1
1 573 . 4 1 1 A 54 54 LEU HA H 54 4.370 4.192 0.178 1
1 583 . 4 1 1 A 54 54 LEU C C 54 174.460 176.486 -2.026 1
1 584 . 4 1 1 A 54 54 LEU CA C 54 55.430 54.619 0.811 1
1 585 . 4 1 1 A 54 54 LEU CB C 54 41.760 42.045 -0.285 1
1 589 . 4 1 1 A 55 55 GLY H H 55 7.100 7.236 -0.136 1
1 590 . 4 1 1 A 55 55 GLY HA2 H 55 4.280 4.185 0.095 1
1 591 . 4 1 1 A 55 55 GLY HA3 H 55 3.760 4.446 -0.686 1
1 592 . 4 1 1 A 55 55 GLY C C 55 182.880 173.428 9.452 1
1 593 . 4 1 1 A 55 55 GLY CA C 55 45.070 44.630 0.440 1
1 594 . 4 1 1 A 55 55 GLY N N 55 106.000 107.048 -1.048 1
1 595 . 4 1 1 A 56 56 MET H H 56 8.650 8.629 0.021 1
1 596 . 4 1 1 A 56 56 MET HA H 56 4.500 4.845 -0.345 1
1 604 . 4 1 1 A 56 56 MET C C 56 170.320 175.205 -4.885 1
1 605 . 4 1 1 A 56 56 MET CA C 56 55.110 56.019 -0.909 1
1 606 . 4 1 1 A 56 56 MET CB C 56 35.270 33.143 2.127 1
1 609 . 4 1 1 A 56 56 MET N N 56 120.630 121.001 -0.371 1
1 610 . 4 1 1 A 57 57 LYS H H 57 7.850 8.651 -0.801 1
1 611 . 4 1 1 A 57 57 LYS HA H 57 3.520 4.987 -1.467 1
1 620 . 4 1 1 A 57 57 LYS C C 57 172.230 175.974 -3.744 1
1 621 . 4 1 1 A 57 57 LYS CA C 57 54.850 54.620 0.230 1
1 622 . 4 1 1 A 57 57 LYS CB C 57 33.420 35.543 -2.123 1
1 626 . 4 1 1 A 57 57 LYS N N 57 125.140 123.282 1.858 1
1 627 . 4 1 1 A 58 58 CYS H H 58 8.680 8.538 0.142 1
1 628 . 4 1 1 A 58 58 CYS HA H 58 3.630 4.481 -0.851 1
1 631 . 4 1 1 A 58 58 CYS C C 58 175.080 175.812 -0.732 1
1 632 . 4 1 1 A 58 58 CYS CA C 58 60.100 59.853 0.247 1
1 633 . 4 1 1 A 58 58 CYS CB C 58 30.620 28.465 2.155 1
1 634 . 4 1 1 A 58 58 CYS N N 58 126.470 125.120 1.350 1
1 635 . 4 1 1 A 59 59 LYS H H 59 7.450 8.949 -1.499 1
1 636 . 4 1 1 A 59 59 LYS HA H 59 4.020 4.414 -0.394 1
1 645 . 4 1 1 A 59 59 LYS C C 59 173.460 176.682 -3.222 1
1 646 . 4 1 1 A 59 59 LYS CA C 59 57.850 57.185 0.665 1
1 647 . 4 1 1 A 59 59 LYS CB C 59 33.080 32.006 1.074 1
1 651 . 4 1 1 A 59 59 LYS N N 59 128.510 128.124 0.386 1
1 652 . 4 1 1 A 60 60 ILE H H 60 9.120 7.596 1.524 1
1 653 . 4 1 1 A 60 60 ILE HA H 60 3.840 4.167 -0.327 1
1 663 . 4 1 1 A 60 60 ILE C C 60 174.920 177.633 -2.713 1
1 664 . 4 1 1 A 60 60 ILE CA C 60 63.990 62.804 1.186 1
1 665 . 4 1 1 A 60 60 ILE CB C 60 38.510 39.800 -1.290 1
1 669 . 4 1 1 A 60 60 ILE N N 60 122.830 117.327 5.503 1
1 670 . 4 1 1 A 61 61 CYS H H 61 8.900 7.370 1.530 1
1 671 . 4 1 1 A 61 61 CYS HA H 61 4.960 4.547 0.413 1
1 674 . 4 1 1 A 61 61 CYS C C 61 173.530 174.557 -1.027 1
1 675 . 4 1 1 A 61 61 CYS CA C 61 58.750 58.107 0.643 1
1 676 . 4 1 1 A 61 61 CYS CB C 61 32.740 29.465 3.275 1
1 677 . 4 1 1 A 61 61 CYS N N 61 120.650 115.709 4.941 1
1 678 . 4 1 1 A 62 62 GLU H H 62 7.240 7.702 -0.462 1
1 679 . 4 1 1 A 62 62 GLU HA H 62 3.830 4.089 -0.259 1
1 684 . 4 1 1 A 62 62 GLU C C 62 170.720 174.816 -4.096 1
1 685 . 4 1 1 A 62 62 GLU CA C 62 58.960 57.431 1.529 1
1 686 . 4 1 1 A 62 62 GLU CB C 62 26.790 27.232 -0.442 1
1 688 . 4 1 1 A 62 62 GLU N N 62 114.650 117.243 -2.593 1
1 689 . 4 1 1 A 63 63 SER H H 63 8.130 7.846 0.284 1
1 690 . 4 1 1 A 63 63 SER HA H 63 4.390 4.942 -0.552 1
1 693 . 4 1 1 A 63 63 SER CA C 63 58.130 55.690 2.440 1
1 694 . 4 1 1 A 63 63 SER CB C 63 64.180 66.139 -1.959 1
1 695 . 4 1 1 A 63 63 SER N N 63 114.690 111.323 3.367 1
1 696 . 4 1 1 A 64 64 TYR HA H 64 4.610 4.407 0.203 1
1 703 . 4 1 1 A 64 64 TYR C C 64 174.140 175.624 -1.484 1
1 704 . 4 1 1 A 64 64 TYR CA C 64 59.030 59.783 -0.753 1
1 705 . 4 1 1 A 64 64 TYR CB C 64 38.350 39.308 -0.958 1
1 710 . 4 1 1 A 65 65 ASN H H 65 9.410 7.594 1.816 1
1 711 . 4 1 1 A 65 65 ASN HA H 65 5.010 4.666 0.344 1
1 716 . 4 1 1 A 65 65 ASN C C 65 170.800 173.697 -2.897 1
1 717 . 4 1 1 A 65 65 ASN CA C 65 51.730 52.185 -0.455 1
1 718 . 4 1 1 A 65 65 ASN CB C 65 35.880 37.449 -1.569 1
1 719 . 4 1 1 A 65 65 ASN N N 65 124.590 118.206 6.384 1
1 721 . 4 1 1 A 66 66 THR H H 66 8.040 7.968 0.072 1
1 722 . 4 1 1 A 66 66 THR HA H 66 4.960 5.030 -0.070 1
1 727 . 4 1 1 A 66 66 THR C C 66 169.060 173.342 -4.282 1
1 728 . 4 1 1 A 66 66 THR CA C 66 58.650 60.192 -1.542 1
1 729 . 4 1 1 A 66 66 THR CB C 66 72.830 71.968 0.862 1
1 731 . 4 1 1 A 66 66 THR N N 66 110.130 115.546 -5.416 1
1 732 . 4 1 1 A 67 67 ALA H H 67 8.560 9.108 -0.548 1
1 733 . 4 1 1 A 67 67 ALA HA H 67 4.690 4.907 -0.217 1
1 737 . 4 1 1 A 67 67 ALA C C 67 173.640 175.919 -2.279 1
1 738 . 4 1 1 A 67 67 ALA CA C 67 51.070 50.167 0.903 1
1 739 . 4 1 1 A 67 67 ALA CB C 67 22.560 21.797 0.763 1
1 740 . 4 1 1 A 67 67 ALA N N 67 120.400 124.700 -4.300 1
1 741 . 4 1 1 A 68 68 GLN H H 68 8.910 8.466 0.444 1
1 742 . 4 1 1 A 68 68 GLN HA H 68 4.380 4.574 -0.194 1
1 749 . 4 1 1 A 68 68 GLN C C 68 173.320 175.847 -2.527 1
1 750 . 4 1 1 A 68 68 GLN CA C 68 57.610 54.907 2.703 1
1 751 . 4 1 1 A 68 68 GLN CB C 68 29.250 30.068 -0.818 1
1 753 . 4 1 1 A 68 68 GLN N N 68 120.570 119.216 1.354 1
1 755 . 4 1 1 A 69 69 ALA H H 69 8.920 8.959 -0.039 1
1 756 . 4 1 1 A 69 69 ALA HA H 69 4.370 4.404 -0.034 1
1 760 . 4 1 1 A 69 69 ALA C C 69 174.630 177.326 -2.696 1
1 761 . 4 1 1 A 69 69 ALA CA C 69 52.080 51.548 0.532 1
1 762 . 4 1 1 A 69 69 ALA CB C 69 19.750 18.272 1.478 1
1 763 . 4 1 1 A 69 69 ALA N N 69 128.720 128.340 0.380 1
1 764 . 4 1 1 A 70 70 GLY H H 70 8.330 8.332 -0.002 1
1 765 . 4 1 1 A 70 70 GLY HA2 H 70 4.000 3.936 0.064 1
1 766 . 4 1 1 A 70 70 GLY HA3 H 70 4.000 3.937 0.063 1
1 767 . 4 1 1 A 70 70 GLY C C 70 171.580 174.756 -3.176 1
1 768 . 4 1 1 A 70 70 GLY CA C 70 45.200 45.889 -0.689 1
1 769 . 4 1 1 A 70 70 GLY N N 70 108.440 111.947 -3.507 1
1 770 . 4 1 1 A 71 71 GLY H H 71 8.330 7.677 0.653 1
1 771 . 4 1 1 A 71 71 GLY HA2 H 71 3.940 4.135 -0.195 1
1 772 . 4 1 1 A 71 71 GLY HA3 H 71 3.940 4.135 -0.195 1
1 773 . 4 1 1 A 71 71 GLY C C 71 171.150 172.179 -1.029 1
1 774 . 4 1 1 A 71 71 GLY CA C 71 45.170 45.915 -0.745 1
1 775 . 4 1 1 A 71 71 GLY N N 71 108.430 106.457 1.973 1
1 776 . 4 1 1 A 72 72 ARG H H 72 8.210 8.330 -0.120 1
1 777 . 4 1 1 A 72 72 ARG HA H 72 4.340 4.932 -0.592 1
1 784 . 4 1 1 A 72 72 ARG C C 72 173.350 174.603 -1.253 1
1 785 . 4 1 1 A 72 72 ARG CA C 72 55.700 54.346 1.354 1
1 786 . 4 1 1 A 72 72 ARG CB C 72 30.900 33.601 -2.701 1
1 789 . 4 1 1 A 72 72 ARG N N 72 120.590 122.171 -1.581 1
1 790 . 4 1 1 A 73 73 ARG H H 73 8.450 8.646 -0.196 1
1 791 . 4 1 1 A 73 73 ARG HA H 73 4.350 4.579 -0.229 1
1 798 . 4 1 1 A 73 73 ARG C C 73 173.200 175.520 -2.320 1
1 799 . 4 1 1 A 73 73 ARG CA C 73 55.560 55.305 0.255 1
1 800 . 4 1 1 A 73 73 ARG CB C 73 30.690 29.541 1.149 1
1 803 . 4 1 1 A 73 73 ARG N N 73 123.800 123.789 0.011 1
1 804 . 4 1 1 A 74 74 ILE H H 74 8.360 8.381 -0.021 1
1 805 . 4 1 1 A 74 74 ILE HA H 74 4.160 5.113 -0.953 1
1 815 . 4 1 1 A 74 74 ILE C C 74 173.230 174.936 -1.706 1
1 816 . 4 1 1 A 74 74 ILE CA C 74 61.030 58.957 2.073 1
1 817 . 4 1 1 A 74 74 ILE CB C 74 38.920 42.164 -3.244 1
1 821 . 4 1 1 A 74 74 ILE N N 74 123.330 122.532 0.798 1
1 822 . 4 1 1 A 75 75 SER H H 75 8.340 8.762 -0.422 1
1 823 . 4 1 1 A 75 75 SER HA H 75 4.450 4.849 -0.399 1
1 826 . 4 1 1 A 75 75 SER C C 75 171.620 172.883 -1.263 1
1 827 . 4 1 1 A 75 75 SER CA C 75 57.890 56.973 0.917 1
1 828 . 4 1 1 A 75 75 SER CB C 75 64.000 63.067 0.933 1
1 829 . 4 1 1 A 75 75 SER N N 75 119.950 118.802 1.148 1
1 830 . 4 1 1 A 76 76 LEU H H 76 8.400 8.267 0.133 1
1 831 . 4 1 1 A 76 76 LEU HA H 76 4.300 4.753 -0.453 1
1 840 . 4 1 1 A 76 76 LEU C C 76 173.730 174.359 -0.629 1
1 841 . 4 1 1 A 76 76 LEU CA C 76 55.510 54.257 1.253 1
1 842 . 4 1 1 A 76 76 LEU CB C 76 42.290 43.349 -1.059 1
1 845 . 4 1 1 A 76 76 LEU N N 76 124.860 124.786 0.074 1
1 846 . 4 1 1 A 77 77 ASP H H 77 8.240 8.911 -0.671 1
1 847 . 4 1 1 A 77 77 ASP HA H 77 4.530 5.028 -0.498 1
1 850 . 4 1 1 A 77 77 ASP C C 77 173.190 175.846 -2.656 1
1 851 . 4 1 1 A 77 77 ASP CA C 77 54.540 53.428 1.112 1
1 852 . 4 1 1 A 77 77 ASP CB C 77 41.250 41.002 0.248 1
1 853 . 4 1 1 A 77 77 ASP N N 77 119.920 127.831 -7.911 1
1 854 . 4 1 1 A 78 78 GLN H H 78 8.120 8.968 -0.848 1
1 855 . 4 1 1 A 78 78 GLN HA H 78 4.310 4.476 -0.166 1
1 862 . 4 1 1 A 78 78 GLN C C 78 171.810 174.875 -3.065 1
1 863 . 4 1 1 A 78 78 GLN CA C 78 55.450 57.259 -1.809 1
1 864 . 4 1 1 A 78 78 GLN CB C 78 29.920 30.791 -0.871 1
1 866 . 4 1 1 A 78 78 GLN N N 78 120.080 126.307 -6.227 1
1 334 . 5 1 1 A 34 34 MET HA H 34 4.620 4.929 -0.309 1
1 342 . 5 1 1 A 34 34 MET C C 34 172.400 174.354 -1.954 1
1 343 . 5 1 1 A 34 34 MET CA C 34 55.830 54.613 1.217 1
1 344 . 5 1 1 A 34 34 MET CB C 34 34.150 35.801 -1.651 1
1 347 . 5 1 1 A 35 35 THR H H 35 8.280 8.867 -0.587 1
1 348 . 5 1 1 A 35 35 THR HA H 35 5.030 5.610 -0.580 1
1 353 . 5 1 1 A 35 35 THR C C 35 171.200 174.221 -3.021 1
1 354 . 5 1 1 A 35 35 THR CA C 35 60.370 60.521 -0.151 1
1 355 . 5 1 1 A 35 35 THR CB C 35 71.110 70.498 0.612 1
1 357 . 5 1 1 A 35 35 THR N N 35 116.750 118.055 -1.305 1
1 358 . 5 1 1 A 36 36 VAL H H 36 9.240 9.412 -0.172 1
1 359 . 5 1 1 A 36 36 VAL HA H 36 4.560 4.912 -0.352 1
1 367 . 5 1 1 A 36 36 VAL C C 36 170.520 173.611 -3.091 1
1 368 . 5 1 1 A 36 36 VAL CA C 36 59.740 58.919 0.821 1
1 369 . 5 1 1 A 36 36 VAL CB C 36 36.040 35.359 0.681 1
1 372 . 5 1 1 A 36 36 VAL N N 36 117.880 120.896 -3.016 1
1 373 . 5 1 1 A 37 37 ASP H H 37 8.330 8.856 -0.526 1
1 374 . 5 1 1 A 37 37 ASP HA H 37 5.470 5.314 0.156 1
1 377 . 5 1 1 A 37 37 ASP C C 37 173.810 175.693 -1.883 1
1 378 . 5 1 1 A 37 37 ASP CA C 37 53.140 53.205 -0.065 1
1 379 . 5 1 1 A 37 37 ASP CB C 37 40.960 43.310 -2.350 1
1 380 . 5 1 1 A 37 37 ASP N N 37 123.580 123.410 0.170 1
1 381 . 5 1 1 A 38 38 ILE H H 38 9.310 8.799 0.511 1
1 382 . 5 1 1 A 38 38 ILE HA H 38 5.060 4.980 0.080 1
1 392 . 5 1 1 A 38 38 ILE C C 38 171.700 174.190 -2.490 1
1 393 . 5 1 1 A 38 38 ILE CA C 38 59.260 58.770 0.490 1
1 394 . 5 1 1 A 38 38 ILE CB C 38 43.150 42.050 1.100 1
1 398 . 5 1 1 A 38 38 ILE N N 38 116.250 120.012 -3.762 1
1 399 . 5 1 1 A 39 39 LEU H H 39 8.840 9.324 -0.484 1
1 400 . 5 1 1 A 39 39 LEU HA H 39 4.830 5.069 -0.239 1
1 410 . 5 1 1 A 39 39 LEU C C 39 172.350 176.389 -4.039 1
1 411 . 5 1 1 A 39 39 LEU CA C 39 53.060 53.332 -0.272 1
1 412 . 5 1 1 A 39 39 LEU CB C 39 45.380 43.647 1.733 1
1 416 . 5 1 1 A 39 39 LEU N N 39 121.570 125.776 -4.206 1
1 417 . 5 1 1 A 40 40 CYS H H 40 8.460 8.634 -0.174 1
1 418 . 5 1 1 A 40 40 CYS HA H 40 4.390 4.527 -0.137 1
1 421 . 5 1 1 A 40 40 CYS C C 40 174.410 175.683 -1.273 1
1 422 . 5 1 1 A 40 40 CYS CA C 40 58.530 59.440 -0.910 1
1 423 . 5 1 1 A 40 40 CYS CB C 40 33.410 28.016 5.394 1
1 424 . 5 1 1 A 40 40 CYS N N 40 127.490 124.992 2.498 1
1 425 . 5 1 1 A 41 41 ASN H H 41 9.280 9.442 -0.162 1
1 426 . 5 1 1 A 41 41 ASN HA H 41 4.620 4.962 -0.342 1
1 431 . 5 1 1 A 41 41 ASN C C 41 172.280 175.684 -3.404 1
1 432 . 5 1 1 A 41 41 ASN CA C 41 54.860 53.982 0.878 1
1 433 . 5 1 1 A 41 41 ASN CB C 41 38.710 38.934 -0.224 1
1 434 . 5 1 1 A 41 41 ASN N N 41 126.320 123.850 2.470 1
1 436 . 5 1 1 A 42 42 ASP H H 42 9.360 8.197 1.163 1
1 437 . 5 1 1 A 42 42 ASP HA H 42 4.940 4.868 0.072 1
1 440 . 5 1 1 A 42 42 ASP C C 42 174.400 177.064 -2.664 1
1 441 . 5 1 1 A 42 42 ASP CA C 42 56.650 55.074 1.576 1
1 442 . 5 1 1 A 42 42 ASP CB C 42 41.910 42.116 -0.206 1
1 443 . 5 1 1 A 42 42 ASP N N 42 123.070 117.909 5.161 1
1 444 . 5 1 1 A 43 43 CYS H H 43 9.260 7.899 1.361 1
1 445 . 5 1 1 A 43 43 CYS HA H 43 4.940 4.419 0.521 1
1 448 . 5 1 1 A 43 43 CYS C C 43 174.140 174.280 -0.140 1
1 449 . 5 1 1 A 43 43 CYS CA C 43 58.590 58.825 -0.235 1
1 450 . 5 1 1 A 43 43 CYS CB C 43 31.960 27.834 4.126 1
1 451 . 5 1 1 A 43 43 CYS N N 43 121.590 114.765 6.825 1
1 452 . 5 1 1 A 44 44 ASN H H 44 7.650 8.040 -0.390 1
1 453 . 5 1 1 A 44 44 ASN HA H 44 4.770 4.682 0.088 1
1 458 . 5 1 1 A 44 44 ASN C C 44 171.350 174.191 -2.841 1
1 459 . 5 1 1 A 44 44 ASN CA C 44 55.450 54.639 0.811 1
1 460 . 5 1 1 A 44 44 ASN CB C 44 37.970 36.879 1.091 1
1 461 . 5 1 1 A 44 44 ASN N N 44 118.000 115.861 2.139 1
1 463 . 5 1 1 A 45 45 GLY H H 45 9.220 8.126 1.094 1
1 464 . 5 1 1 A 45 45 GLY HA2 H 45 4.210 4.099 0.111 1
1 465 . 5 1 1 A 45 45 GLY HA3 H 45 3.510 4.103 -0.593 1
1 466 . 5 1 1 A 45 45 GLY C C 45 170.730 172.950 -2.220 1
1 467 . 5 1 1 A 45 45 GLY CA C 45 44.130 44.190 -0.060 1
1 468 . 5 1 1 A 45 45 GLY N N 45 111.320 107.222 4.098 1
1 469 . 5 1 1 A 46 46 ARG H H 46 8.600 8.597 0.003 1
1 470 . 5 1 1 A 46 46 ARG HA H 46 5.420 5.455 -0.035 1
1 477 . 5 1 1 A 46 46 ARG C C 46 172.900 175.088 -2.188 1
1 478 . 5 1 1 A 46 46 ARG CA C 46 54.460 55.584 -1.124 1
1 479 . 5 1 1 A 46 46 ARG CB C 46 32.270 31.846 0.424 1
1 482 . 5 1 1 A 46 46 ARG N N 46 124.920 119.630 5.290 1
1 483 . 5 1 1 A 47 47 SER H H 47 8.350 8.543 -0.193 1
1 484 . 5 1 1 A 47 47 SER HA H 47 4.790 5.002 -0.212 1
1 487 . 5 1 1 A 47 47 SER C C 47 170.830 172.718 -1.888 1
1 488 . 5 1 1 A 47 47 SER CA C 47 57.720 57.581 0.139 1
1 489 . 5 1 1 A 47 47 SER CB C 47 66.390 65.794 0.596 1
1 490 . 5 1 1 A 47 47 SER N N 47 115.750 116.569 -0.819 1
1 491 . 5 1 1 A 48 48 THR H H 48 8.570 8.871 -0.301 1
1 492 . 5 1 1 A 48 48 THR HA H 48 5.210 4.615 0.595 1
1 497 . 5 1 1 A 48 48 THR C C 48 171.920 174.072 -2.152 1
1 498 . 5 1 1 A 48 48 THR CA C 48 62.350 62.441 -0.091 1
1 499 . 5 1 1 A 48 48 THR CB C 48 70.320 68.630 1.690 1
1 501 . 5 1 1 A 48 48 THR N N 48 120.420 122.434 -2.014 1
1 502 . 5 1 1 A 49 49 VAL H H 49 9.020 8.738 0.282 1
1 503 . 5 1 1 A 49 49 VAL HA H 49 4.800 5.015 -0.215 1
1 511 . 5 1 1 A 49 49 VAL C C 49 171.700 174.961 -3.261 1
1 512 . 5 1 1 A 49 49 VAL CA C 49 58.540 58.997 -0.457 1
1 513 . 5 1 1 A 49 49 VAL CB C 49 36.420 36.045 0.375 1
1 516 . 5 1 1 A 49 49 VAL N N 49 119.320 119.876 -0.556 1
1 517 . 5 1 1 A 50 50 GLN H H 50 8.320 8.295 0.025 1
1 518 . 5 1 1 A 50 50 GLN HA H 50 4.450 4.925 -0.475 1
1 525 . 5 1 1 A 50 50 GLN C C 50 173.270 176.111 -2.841 1
1 526 . 5 1 1 A 50 50 GLN CA C 50 55.860 56.334 -0.474 1
1 527 . 5 1 1 A 50 50 GLN CB C 50 29.250 29.201 0.049 1
1 529 . 5 1 1 A 50 50 GLN N N 50 119.390 120.357 -0.967 1
1 531 . 5 1 1 A 51 51 PHE H H 51 8.690 9.055 -0.365 1
1 532 . 5 1 1 A 51 51 PHE HA H 51 4.430 4.691 -0.261 1
1 539 . 5 1 1 A 51 51 PHE C C 51 171.970 174.737 -2.767 1
1 540 . 5 1 1 A 51 51 PHE CA C 51 58.850 59.153 -0.303 1
1 541 . 5 1 1 A 51 51 PHE CB C 51 40.100 39.530 0.570 1
1 546 . 5 1 1 A 51 51 PHE N N 51 125.010 124.555 0.455 1
1 547 . 5 1 1 A 52 52 HIS H H 52 6.480 8.058 -1.578 1
1 548 . 5 1 1 A 52 52 HIS HA H 52 4.100 4.906 -0.806 1
1 553 . 5 1 1 A 52 52 HIS CA C 52 57.230 55.219 2.011 1
1 554 . 5 1 1 A 52 52 HIS CB C 52 34.130 32.484 1.646 1
1 557 . 5 1 1 A 52 52 HIS N N 52 126.100 126.866 -0.766 1
1 558 . 5 1 1 A 53 53 ILE HA H 53 3.760 3.469 0.291 1
1 568 . 5 1 1 A 53 53 ILE CA C 53 62.780 63.822 -1.042 1
1 569 . 5 1 1 A 53 53 ILE CB C 53 38.920 37.411 1.509 1
1 573 . 5 1 1 A 54 54 LEU HA H 54 4.370 4.202 0.168 1
1 583 . 5 1 1 A 54 54 LEU C C 54 174.460 176.250 -1.790 1
1 584 . 5 1 1 A 54 54 LEU CA C 54 55.430 54.472 0.958 1
1 585 . 5 1 1 A 54 54 LEU CB C 54 41.760 42.124 -0.364 1
1 589 . 5 1 1 A 55 55 GLY H H 55 7.100 7.210 -0.110 1
1 590 . 5 1 1 A 55 55 GLY HA2 H 55 4.280 4.145 0.135 1
1 591 . 5 1 1 A 55 55 GLY HA3 H 55 3.760 4.207 -0.447 1
1 592 . 5 1 1 A 55 55 GLY C C 55 182.880 173.595 9.285 1
1 593 . 5 1 1 A 55 55 GLY CA C 55 45.070 44.550 0.520 1
1 594 . 5 1 1 A 55 55 GLY N N 55 106.000 107.014 -1.014 1
1 595 . 5 1 1 A 56 56 MET H H 56 8.650 8.675 -0.025 1
1 596 . 5 1 1 A 56 56 MET HA H 56 4.500 4.756 -0.256 1
1 604 . 5 1 1 A 56 56 MET C C 56 170.320 176.069 -5.749 1
1 605 . 5 1 1 A 56 56 MET CA C 56 55.110 55.353 -0.243 1
1 606 . 5 1 1 A 56 56 MET CB C 56 35.270 32.634 2.636 1
1 609 . 5 1 1 A 56 56 MET N N 56 120.630 121.040 -0.410 1
1 610 . 5 1 1 A 57 57 LYS H H 57 7.850 8.607 -0.757 1
1 611 . 5 1 1 A 57 57 LYS HA H 57 3.520 4.371 -0.851 1
1 620 . 5 1 1 A 57 57 LYS C C 57 172.230 175.957 -3.727 1
1 621 . 5 1 1 A 57 57 LYS CA C 57 54.850 56.528 -1.678 1
1 622 . 5 1 1 A 57 57 LYS CB C 57 33.420 32.840 0.580 1
1 626 . 5 1 1 A 57 57 LYS N N 57 125.140 124.215 0.925 1
1 627 . 5 1 1 A 58 58 CYS H H 58 8.680 8.397 0.283 1
1 628 . 5 1 1 A 58 58 CYS HA H 58 3.630 4.489 -0.859 1
1 631 . 5 1 1 A 58 58 CYS C C 58 175.080 176.231 -1.151 1
1 632 . 5 1 1 A 58 58 CYS CA C 58 60.100 59.085 1.015 1
1 633 . 5 1 1 A 58 58 CYS CB C 58 30.620 28.259 2.361 1
1 634 . 5 1 1 A 58 58 CYS N N 58 126.470 126.255 0.215 1
1 635 . 5 1 1 A 59 59 LYS H H 59 7.450 8.904 -1.454 1
1 636 . 5 1 1 A 59 59 LYS HA H 59 4.020 4.377 -0.357 1
1 645 . 5 1 1 A 59 59 LYS C C 59 173.460 177.248 -3.788 1
1 646 . 5 1 1 A 59 59 LYS CA C 59 57.850 57.628 0.222 1
1 647 . 5 1 1 A 59 59 LYS CB C 59 33.080 32.184 0.896 1
1 651 . 5 1 1 A 59 59 LYS N N 59 128.510 128.109 0.401 1
1 652 . 5 1 1 A 60 60 ILE H H 60 9.120 7.305 1.815 1
1 653 . 5 1 1 A 60 60 ILE HA H 60 3.840 3.985 -0.145 1
1 663 . 5 1 1 A 60 60 ILE C C 60 174.920 177.490 -2.570 1
1 664 . 5 1 1 A 60 60 ILE CA C 60 63.990 62.916 1.074 1
1 665 . 5 1 1 A 60 60 ILE CB C 60 38.510 38.896 -0.386 1
1 669 . 5 1 1 A 60 60 ILE N N 60 122.830 118.282 4.548 1
1 670 . 5 1 1 A 61 61 CYS H H 61 8.900 7.737 1.163 1
1 671 . 5 1 1 A 61 61 CYS HA H 61 4.960 4.526 0.434 1
1 674 . 5 1 1 A 61 61 CYS C C 61 173.530 175.300 -1.770 1
1 675 . 5 1 1 A 61 61 CYS CA C 61 58.750 58.243 0.507 1
1 676 . 5 1 1 A 61 61 CYS CB C 61 32.740 29.528 3.212 1
1 677 . 5 1 1 A 61 61 CYS N N 61 120.650 115.909 4.741 1
1 678 . 5 1 1 A 62 62 GLU H H 62 7.240 7.937 -0.697 1
1 679 . 5 1 1 A 62 62 GLU HA H 62 3.830 3.960 -0.130 1
1 684 . 5 1 1 A 62 62 GLU C C 62 170.720 174.216 -3.496 1
1 685 . 5 1 1 A 62 62 GLU CA C 62 58.960 57.355 1.605 1
1 686 . 5 1 1 A 62 62 GLU CB C 62 26.790 27.151 -0.361 1
1 688 . 5 1 1 A 62 62 GLU N N 62 114.650 116.271 -1.621 1
1 689 . 5 1 1 A 63 63 SER H H 63 8.130 7.500 0.630 1
1 690 . 5 1 1 A 63 63 SER HA H 63 4.390 4.488 -0.098 1
1 693 . 5 1 1 A 63 63 SER CA C 63 58.130 56.785 1.345 1
1 694 . 5 1 1 A 63 63 SER CB C 63 64.180 64.528 -0.348 1
1 695 . 5 1 1 A 63 63 SER N N 63 114.690 114.338 0.352 1
1 696 . 5 1 1 A 64 64 TYR HA H 64 4.610 5.008 -0.398 1
1 703 . 5 1 1 A 64 64 TYR C C 64 174.140 175.308 -1.168 1
1 704 . 5 1 1 A 64 64 TYR CA C 64 59.030 58.121 0.909 1
1 705 . 5 1 1 A 64 64 TYR CB C 64 38.350 39.038 -0.688 1
1 710 . 5 1 1 A 65 65 ASN H H 65 9.410 7.324 2.086 1
1 711 . 5 1 1 A 65 65 ASN HA H 65 5.010 4.782 0.228 1
1 716 . 5 1 1 A 65 65 ASN C C 65 170.800 173.980 -3.180 1
1 717 . 5 1 1 A 65 65 ASN CA C 65 51.730 52.691 -0.961 1
1 718 . 5 1 1 A 65 65 ASN CB C 65 35.880 37.938 -2.058 1
1 719 . 5 1 1 A 65 65 ASN N N 65 124.590 120.254 4.336 1
1 721 . 5 1 1 A 66 66 THR H H 66 8.040 8.214 -0.174 1
1 722 . 5 1 1 A 66 66 THR HA H 66 4.960 5.135 -0.175 1
1 727 . 5 1 1 A 66 66 THR C C 66 169.060 173.150 -4.090 1
1 728 . 5 1 1 A 66 66 THR CA C 66 58.650 60.460 -1.810 1
1 729 . 5 1 1 A 66 66 THR CB C 66 72.830 71.830 1.000 1
1 731 . 5 1 1 A 66 66 THR N N 66 110.130 116.745 -6.615 1
1 732 . 5 1 1 A 67 67 ALA H H 67 8.560 9.105 -0.545 1
1 733 . 5 1 1 A 67 67 ALA HA H 67 4.690 5.107 -0.417 1
1 737 . 5 1 1 A 67 67 ALA C C 67 173.640 176.300 -2.660 1
1 738 . 5 1 1 A 67 67 ALA CA C 67 51.070 50.021 1.049 1
1 739 . 5 1 1 A 67 67 ALA CB C 67 22.560 22.468 0.092 1
1 740 . 5 1 1 A 67 67 ALA N N 67 120.400 125.167 -4.767 1
1 741 . 5 1 1 A 68 68 GLN H H 68 8.910 8.472 0.438 1
1 742 . 5 1 1 A 68 68 GLN HA H 68 4.380 4.338 0.042 1
1 749 . 5 1 1 A 68 68 GLN C C 68 173.320 175.740 -2.420 1
1 750 . 5 1 1 A 68 68 GLN CA C 68 57.610 56.544 1.066 1
1 751 . 5 1 1 A 68 68 GLN CB C 68 29.250 28.885 0.365 1
1 753 . 5 1 1 A 68 68 GLN N N 68 120.570 121.734 -1.164 1
1 755 . 5 1 1 A 69 69 ALA H H 69 8.920 8.553 0.367 1
1 756 . 5 1 1 A 69 69 ALA HA H 69 4.370 4.602 -0.232 1
1 760 . 5 1 1 A 69 69 ALA C C 69 174.630 177.038 -2.408 1
1 761 . 5 1 1 A 69 69 ALA CA C 69 52.080 51.815 0.265 1
1 762 . 5 1 1 A 69 69 ALA CB C 69 19.750 20.773 -1.023 1
1 763 . 5 1 1 A 69 69 ALA N N 69 128.720 128.181 0.539 1
1 764 . 5 1 1 A 70 70 GLY H H 70 8.330 8.366 -0.036 1
1 765 . 5 1 1 A 70 70 GLY HA2 H 70 4.000 4.206 -0.206 1
1 766 . 5 1 1 A 70 70 GLY HA3 H 70 4.000 4.206 -0.206 1
1 767 . 5 1 1 A 70 70 GLY C C 70 171.580 172.226 -0.646 1
1 768 . 5 1 1 A 70 70 GLY CA C 70 45.200 45.752 -0.552 1
1 769 . 5 1 1 A 70 70 GLY N N 70 108.440 105.601 2.839 1
1 770 . 5 1 1 A 71 71 GLY H H 71 8.330 8.652 -0.322 1
1 771 . 5 1 1 A 71 71 GLY HA2 H 71 3.940 3.936 0.004 1
1 772 . 5 1 1 A 71 71 GLY HA3 H 71 3.940 3.937 0.003 1
1 773 . 5 1 1 A 71 71 GLY C C 71 171.150 172.930 -1.780 1
1 774 . 5 1 1 A 71 71 GLY CA C 71 45.170 46.935 -1.765 1
1 775 . 5 1 1 A 71 71 GLY N N 71 108.430 109.172 -0.742 1
1 776 . 5 1 1 A 72 72 ARG H H 72 8.210 8.732 -0.522 1
1 777 . 5 1 1 A 72 72 ARG HA H 72 4.340 4.922 -0.582 1
1 784 . 5 1 1 A 72 72 ARG C C 72 173.350 174.342 -0.992 1
1 785 . 5 1 1 A 72 72 ARG CA C 72 55.700 54.850 0.850 1
1 786 . 5 1 1 A 72 72 ARG CB C 72 30.900 32.253 -1.353 1
1 789 . 5 1 1 A 72 72 ARG N N 72 120.590 125.223 -4.633 1
1 790 . 5 1 1 A 73 73 ARG H H 73 8.450 9.001 -0.551 1
1 791 . 5 1 1 A 73 73 ARG HA H 73 4.350 4.961 -0.611 1
1 798 . 5 1 1 A 73 73 ARG C C 73 173.200 175.735 -2.535 1
1 799 . 5 1 1 A 73 73 ARG CA C 73 55.560 54.795 0.765 1
1 800 . 5 1 1 A 73 73 ARG CB C 73 30.690 32.923 -2.233 1
1 803 . 5 1 1 A 73 73 ARG N N 73 123.800 127.831 -4.031 1
1 804 . 5 1 1 A 74 74 ILE H H 74 8.360 8.429 -0.069 1
1 805 . 5 1 1 A 74 74 ILE HA H 74 4.160 4.252 -0.092 1
1 815 . 5 1 1 A 74 74 ILE C C 74 173.230 175.427 -2.197 1
1 816 . 5 1 1 A 74 74 ILE CA C 74 61.030 60.969 0.061 1
1 817 . 5 1 1 A 74 74 ILE CB C 74 38.920 38.127 0.793 1
1 821 . 5 1 1 A 74 74 ILE N N 74 123.330 122.702 0.628 1
1 822 . 5 1 1 A 75 75 SER H H 75 8.340 8.977 -0.637 1
1 823 . 5 1 1 A 75 75 SER HA H 75 4.450 5.004 -0.554 1
1 826 . 5 1 1 A 75 75 SER C C 75 171.620 174.454 -2.834 1
1 827 . 5 1 1 A 75 75 SER CA C 75 57.890 58.085 -0.195 1
1 828 . 5 1 1 A 75 75 SER CB C 75 64.000 63.895 0.105 1
1 829 . 5 1 1 A 75 75 SER N N 75 119.950 123.868 -3.918 1
1 830 . 5 1 1 A 76 76 LEU H H 76 8.400 8.604 -0.204 1
1 831 . 5 1 1 A 76 76 LEU HA H 76 4.300 4.894 -0.594 1
1 840 . 5 1 1 A 76 76 LEU C C 76 173.730 176.619 -2.889 1
1 841 . 5 1 1 A 76 76 LEU CA C 76 55.510 53.431 2.079 1
1 842 . 5 1 1 A 76 76 LEU CB C 76 42.290 43.289 -0.999 1
1 845 . 5 1 1 A 76 76 LEU N N 76 124.860 123.395 1.465 1
1 846 . 5 1 1 A 77 77 ASP H H 77 8.240 8.871 -0.631 1
1 847 . 5 1 1 A 77 77 ASP HA H 77 4.530 5.410 -0.880 1
1 850 . 5 1 1 A 77 77 ASP C C 77 173.190 175.156 -1.966 1
1 851 . 5 1 1 A 77 77 ASP CA C 77 54.540 52.812 1.728 1
1 852 . 5 1 1 A 77 77 ASP CB C 77 41.250 42.299 -1.049 1
1 853 . 5 1 1 A 77 77 ASP N N 77 119.920 120.609 -0.689 1
1 854 . 5 1 1 A 78 78 GLN H H 78 8.120 8.850 -0.730 1
1 855 . 5 1 1 A 78 78 GLN HA H 78 4.310 4.948 -0.638 1
1 862 . 5 1 1 A 78 78 GLN C C 78 171.810 174.607 -2.797 1
1 863 . 5 1 1 A 78 78 GLN CA C 78 55.450 54.639 0.811 1
1 864 . 5 1 1 A 78 78 GLN CB C 78 29.920 31.821 -1.901 1
1 866 . 5 1 1 A 78 78 GLN N N 78 120.080 117.666 2.414 1
1 334 . 6 1 1 A 34 34 MET HA H 34 4.620 4.811 -0.191 1
1 342 . 6 1 1 A 34 34 MET C C 34 172.400 174.686 -2.286 1
1 343 . 6 1 1 A 34 34 MET CA C 34 55.830 54.033 1.797 1
1 344 . 6 1 1 A 34 34 MET CB C 34 34.150 33.524 0.626 1
1 347 . 6 1 1 A 35 35 THR H H 35 8.280 8.587 -0.307 1
1 348 . 6 1 1 A 35 35 THR HA H 35 5.030 5.197 -0.167 1
1 353 . 6 1 1 A 35 35 THR C C 35 171.200 174.130 -2.930 1
1 354 . 6 1 1 A 35 35 THR CA C 35 60.370 60.941 -0.571 1
1 355 . 6 1 1 A 35 35 THR CB C 35 71.110 69.973 1.137 1
1 357 . 6 1 1 A 35 35 THR N N 35 116.750 118.653 -1.903 1
1 358 . 6 1 1 A 36 36 VAL H H 36 9.240 9.403 -0.163 1
1 359 . 6 1 1 A 36 36 VAL HA H 36 4.560 4.946 -0.386 1
1 367 . 6 1 1 A 36 36 VAL C C 36 170.520 173.332 -2.812 1
1 368 . 6 1 1 A 36 36 VAL CA C 36 59.740 58.803 0.937 1
1 369 . 6 1 1 A 36 36 VAL CB C 36 36.040 34.997 1.043 1
1 372 . 6 1 1 A 36 36 VAL N N 36 117.880 120.926 -3.046 1
1 373 . 6 1 1 A 37 37 ASP H H 37 8.330 8.800 -0.470 1
1 374 . 6 1 1 A 37 37 ASP HA H 37 5.470 5.267 0.203 1
1 377 . 6 1 1 A 37 37 ASP C C 37 173.810 175.270 -1.460 1
1 378 . 6 1 1 A 37 37 ASP CA C 37 53.140 53.015 0.125 1
1 379 . 6 1 1 A 37 37 ASP CB C 37 40.960 43.743 -2.783 1
1 380 . 6 1 1 A 37 37 ASP N N 37 123.580 123.061 0.519 1
1 381 . 6 1 1 A 38 38 ILE H H 38 9.310 9.041 0.269 1
1 382 . 6 1 1 A 38 38 ILE HA H 38 5.060 5.043 0.017 1
1 392 . 6 1 1 A 38 38 ILE C C 38 171.700 174.326 -2.626 1
1 393 . 6 1 1 A 38 38 ILE CA C 38 59.260 59.378 -0.118 1
1 394 . 6 1 1 A 38 38 ILE CB C 38 43.150 40.706 2.444 1
1 398 . 6 1 1 A 38 38 ILE N N 38 116.250 120.916 -4.666 1
1 399 . 6 1 1 A 39 39 LEU H H 39 8.840 9.227 -0.387 1
1 400 . 6 1 1 A 39 39 LEU HA H 39 4.830 5.176 -0.346 1
1 410 . 6 1 1 A 39 39 LEU C C 39 172.350 175.944 -3.594 1
1 411 . 6 1 1 A 39 39 LEU CA C 39 53.060 53.742 -0.682 1
1 412 . 6 1 1 A 39 39 LEU CB C 39 45.380 44.957 0.423 1
1 416 . 6 1 1 A 39 39 LEU N N 39 121.570 127.406 -5.836 1
1 417 . 6 1 1 A 40 40 CYS H H 40 8.460 8.742 -0.282 1
1 418 . 6 1 1 A 40 40 CYS HA H 40 4.390 4.518 -0.128 1
1 421 . 6 1 1 A 40 40 CYS C C 40 174.410 175.498 -1.088 1
1 422 . 6 1 1 A 40 40 CYS CA C 40 58.530 59.502 -0.972 1
1 423 . 6 1 1 A 40 40 CYS CB C 40 33.410 28.633 4.777 1
1 424 . 6 1 1 A 40 40 CYS N N 40 127.490 124.881 2.609 1
1 425 . 6 1 1 A 41 41 ASN H H 41 9.280 9.050 0.230 1
1 426 . 6 1 1 A 41 41 ASN HA H 41 4.620 4.665 -0.045 1
1 431 . 6 1 1 A 41 41 ASN C C 41 172.280 175.142 -2.862 1
1 432 . 6 1 1 A 41 41 ASN CA C 41 54.860 54.750 0.110 1
1 433 . 6 1 1 A 41 41 ASN CB C 41 38.710 38.998 -0.288 1
1 434 . 6 1 1 A 41 41 ASN N N 41 126.320 125.851 0.469 1
1 436 . 6 1 1 A 42 42 ASP H H 42 9.360 7.907 1.453 1
1 437 . 6 1 1 A 42 42 ASP HA H 42 4.940 4.745 0.195 1
1 440 . 6 1 1 A 42 42 ASP C C 42 174.400 177.422 -3.022 1
1 441 . 6 1 1 A 42 42 ASP CA C 42 56.650 55.538 1.112 1
1 442 . 6 1 1 A 42 42 ASP CB C 42 41.910 42.820 -0.910 1
1 443 . 6 1 1 A 42 42 ASP N N 42 123.070 116.043 7.027 1
1 444 . 6 1 1 A 43 43 CYS H H 43 9.260 8.013 1.247 1
1 445 . 6 1 1 A 43 43 CYS HA H 43 4.940 4.463 0.477 1
1 448 . 6 1 1 A 43 43 CYS C C 43 174.140 174.319 -0.179 1
1 449 . 6 1 1 A 43 43 CYS CA C 43 58.590 58.824 -0.234 1
1 450 . 6 1 1 A 43 43 CYS CB C 43 31.960 27.613 4.347 1
1 451 . 6 1 1 A 43 43 CYS N N 43 121.590 114.920 6.670 1
1 452 . 6 1 1 A 44 44 ASN H H 44 7.650 7.975 -0.325 1
1 453 . 6 1 1 A 44 44 ASN HA H 44 4.770 4.361 0.409 1
1 458 . 6 1 1 A 44 44 ASN C C 44 171.350 174.552 -3.202 1
1 459 . 6 1 1 A 44 44 ASN CA C 44 55.450 54.427 1.023 1
1 460 . 6 1 1 A 44 44 ASN CB C 44 37.970 36.793 1.177 1
1 461 . 6 1 1 A 44 44 ASN N N 44 118.000 116.807 1.193 1
1 463 . 6 1 1 A 45 45 GLY H H 45 9.220 7.834 1.386 1
1 464 . 6 1 1 A 45 45 GLY HA2 H 45 4.210 4.105 0.105 1
1 465 . 6 1 1 A 45 45 GLY HA3 H 45 3.510 4.105 -0.595 1
1 466 . 6 1 1 A 45 45 GLY C C 45 170.730 171.930 -1.200 1
1 467 . 6 1 1 A 45 45 GLY CA C 45 44.130 45.677 -1.547 1
1 468 . 6 1 1 A 45 45 GLY N N 45 111.320 108.627 2.693 1
1 469 . 6 1 1 A 46 46 ARG H H 46 8.600 8.750 -0.150 1
1 470 . 6 1 1 A 46 46 ARG HA H 46 5.420 5.338 0.082 1
1 477 . 6 1 1 A 46 46 ARG C C 46 172.900 175.037 -2.137 1
1 478 . 6 1 1 A 46 46 ARG CA C 46 54.460 54.192 0.268 1
1 479 . 6 1 1 A 46 46 ARG CB C 46 32.270 34.339 -2.069 1
1 482 . 6 1 1 A 46 46 ARG N N 46 124.920 118.332 6.588 1
1 483 . 6 1 1 A 47 47 SER H H 47 8.350 8.861 -0.511 1
1 484 . 6 1 1 A 47 47 SER HA H 47 4.790 5.146 -0.356 1
1 487 . 6 1 1 A 47 47 SER C C 47 170.830 172.992 -2.162 1
1 488 . 6 1 1 A 47 47 SER CA C 47 57.720 57.711 0.009 1
1 489 . 6 1 1 A 47 47 SER CB C 47 66.390 65.710 0.680 1
1 490 . 6 1 1 A 47 47 SER N N 47 115.750 116.755 -1.005 1
1 491 . 6 1 1 A 48 48 THR H H 48 8.570 8.850 -0.280 1
1 492 . 6 1 1 A 48 48 THR HA H 48 5.210 4.862 0.348 1
1 497 . 6 1 1 A 48 48 THR C C 48 171.920 174.473 -2.553 1
1 498 . 6 1 1 A 48 48 THR CA C 48 62.350 62.264 0.086 1
1 499 . 6 1 1 A 48 48 THR CB C 48 70.320 68.844 1.476 1
1 501 . 6 1 1 A 48 48 THR N N 48 120.420 122.636 -2.216 1
1 502 . 6 1 1 A 49 49 VAL H H 49 9.020 8.889 0.131 1
1 503 . 6 1 1 A 49 49 VAL HA H 49 4.800 4.999 -0.199 1
1 511 . 6 1 1 A 49 49 VAL C C 49 171.700 175.099 -3.399 1
1 512 . 6 1 1 A 49 49 VAL CA C 49 58.540 58.949 -0.409 1
1 513 . 6 1 1 A 49 49 VAL CB C 49 36.420 35.374 1.046 1
1 516 . 6 1 1 A 49 49 VAL N N 49 119.320 120.217 -0.897 1
1 517 . 6 1 1 A 50 50 GLN H H 50 8.320 8.293 0.027 1
1 518 . 6 1 1 A 50 50 GLN HA H 50 4.450 4.609 -0.159 1
1 525 . 6 1 1 A 50 50 GLN C C 50 173.270 176.096 -2.826 1
1 526 . 6 1 1 A 50 50 GLN CA C 50 55.860 56.448 -0.588 1
1 527 . 6 1 1 A 50 50 GLN CB C 50 29.250 29.344 -0.094 1
1 529 . 6 1 1 A 50 50 GLN N N 50 119.390 120.391 -1.001 1
1 531 . 6 1 1 A 51 51 PHE H H 51 8.690 9.082 -0.392 1
1 532 . 6 1 1 A 51 51 PHE HA H 51 4.430 4.714 -0.284 1
1 539 . 6 1 1 A 51 51 PHE C C 51 171.970 174.538 -2.568 1
1 540 . 6 1 1 A 51 51 PHE CA C 51 58.850 59.129 -0.279 1
1 541 . 6 1 1 A 51 51 PHE CB C 51 40.100 39.540 0.560 1
1 546 . 6 1 1 A 51 51 PHE N N 51 125.010 124.358 0.652 1
1 547 . 6 1 1 A 52 52 HIS H H 52 6.480 7.956 -1.476 1
1 548 . 6 1 1 A 52 52 HIS HA H 52 4.100 4.950 -0.850 1
1 553 . 6 1 1 A 52 52 HIS CA C 52 57.230 54.632 2.598 1
1 554 . 6 1 1 A 52 52 HIS CB C 52 34.130 31.855 2.275 1
1 557 . 6 1 1 A 52 52 HIS N N 52 126.100 127.038 -0.938 1
1 558 . 6 1 1 A 53 53 ILE HA H 53 3.760 3.333 0.427 1
1 568 . 6 1 1 A 53 53 ILE CA C 53 62.780 64.495 -1.715 1
1 569 . 6 1 1 A 53 53 ILE CB C 53 38.920 37.227 1.693 1
1 573 . 6 1 1 A 54 54 LEU HA H 54 4.370 4.082 0.288 1
1 583 . 6 1 1 A 54 54 LEU C C 54 174.460 176.247 -1.787 1
1 584 . 6 1 1 A 54 54 LEU CA C 54 55.430 54.817 0.613 1
1 585 . 6 1 1 A 54 54 LEU CB C 54 41.760 42.224 -0.464 1
1 589 . 6 1 1 A 55 55 GLY H H 55 7.100 6.720 0.380 1
1 590 . 6 1 1 A 55 55 GLY HA2 H 55 4.280 3.341 0.939 1
1 591 . 6 1 1 A 55 55 GLY HA3 H 55 3.760 3.605 0.155 1
1 592 . 6 1 1 A 55 55 GLY C C 55 182.880 172.707 10.173 1
1 593 . 6 1 1 A 55 55 GLY CA C 55 45.070 44.545 0.525 1
1 594 . 6 1 1 A 55 55 GLY N N 55 106.000 106.858 -0.858 1
1 595 . 6 1 1 A 56 56 MET H H 56 8.650 8.615 0.035 1
1 596 . 6 1 1 A 56 56 MET HA H 56 4.500 4.924 -0.424 1
1 604 . 6 1 1 A 56 56 MET C C 56 170.320 175.835 -5.515 1
1 605 . 6 1 1 A 56 56 MET CA C 56 55.110 55.079 0.031 1
1 606 . 6 1 1 A 56 56 MET CB C 56 35.270 32.660 2.610 1
1 609 . 6 1 1 A 56 56 MET N N 56 120.630 121.305 -0.675 1
1 610 . 6 1 1 A 57 57 LYS H H 57 7.850 8.535 -0.685 1
1 611 . 6 1 1 A 57 57 LYS HA H 57 3.520 4.826 -1.306 1
1 620 . 6 1 1 A 57 57 LYS C C 57 172.230 176.486 -4.256 1
1 621 . 6 1 1 A 57 57 LYS CA C 57 54.850 54.985 -0.135 1
1 622 . 6 1 1 A 57 57 LYS CB C 57 33.420 34.452 -1.032 1
1 626 . 6 1 1 A 57 57 LYS N N 57 125.140 124.577 0.563 1
1 627 . 6 1 1 A 58 58 CYS H H 58 8.680 8.518 0.162 1
1 628 . 6 1 1 A 58 58 CYS HA H 58 3.630 4.515 -0.885 1
1 631 . 6 1 1 A 58 58 CYS C C 58 175.080 175.945 -0.865 1
1 632 . 6 1 1 A 58 58 CYS CA C 58 60.100 59.845 0.255 1
1 633 . 6 1 1 A 58 58 CYS CB C 58 30.620 28.326 2.294 1
1 634 . 6 1 1 A 58 58 CYS N N 58 126.470 125.059 1.411 1
1 635 . 6 1 1 A 59 59 LYS H H 59 7.450 8.894 -1.444 1
1 636 . 6 1 1 A 59 59 LYS HA H 59 4.020 4.471 -0.451 1
1 645 . 6 1 1 A 59 59 LYS C C 59 173.460 176.876 -3.416 1
1 646 . 6 1 1 A 59 59 LYS CA C 59 57.850 56.265 1.585 1
1 647 . 6 1 1 A 59 59 LYS CB C 59 33.080 32.172 0.908 1
1 651 . 6 1 1 A 59 59 LYS N N 59 128.510 128.089 0.421 1
1 652 . 6 1 1 A 60 60 ILE H H 60 9.120 7.669 1.451 1
1 653 . 6 1 1 A 60 60 ILE HA H 60 3.840 4.245 -0.405 1
1 663 . 6 1 1 A 60 60 ILE C C 60 174.920 177.512 -2.592 1
1 664 . 6 1 1 A 60 60 ILE CA C 60 63.990 62.775 1.215 1
1 665 . 6 1 1 A 60 60 ILE CB C 60 38.510 40.213 -1.703 1
1 669 . 6 1 1 A 60 60 ILE N N 60 122.830 118.115 4.715 1
1 670 . 6 1 1 A 61 61 CYS H H 61 8.900 7.938 0.962 1
1 671 . 6 1 1 A 61 61 CYS HA H 61 4.960 4.597 0.363 1
1 674 . 6 1 1 A 61 61 CYS C C 61 173.530 174.438 -0.908 1
1 675 . 6 1 1 A 61 61 CYS CA C 61 58.750 58.100 0.650 1
1 676 . 6 1 1 A 61 61 CYS CB C 61 32.740 29.408 3.332 1
1 677 . 6 1 1 A 61 61 CYS N N 61 120.650 115.772 4.878 1
1 678 . 6 1 1 A 62 62 GLU H H 62 7.240 7.865 -0.625 1
1 679 . 6 1 1 A 62 62 GLU HA H 62 3.830 4.144 -0.314 1
1 684 . 6 1 1 A 62 62 GLU C C 62 170.720 174.426 -3.706 1
1 685 . 6 1 1 A 62 62 GLU CA C 62 58.960 57.585 1.375 1
1 686 . 6 1 1 A 62 62 GLU CB C 62 26.790 27.329 -0.539 1
1 688 . 6 1 1 A 62 62 GLU N N 62 114.650 116.658 -2.008 1
1 689 . 6 1 1 A 63 63 SER H H 63 8.130 7.741 0.389 1
1 690 . 6 1 1 A 63 63 SER HA H 63 4.390 4.883 -0.493 1
1 693 . 6 1 1 A 63 63 SER CA C 63 58.130 55.814 2.316 1
1 694 . 6 1 1 A 63 63 SER CB C 63 64.180 65.630 -1.450 1
1 695 . 6 1 1 A 63 63 SER N N 63 114.690 113.486 1.204 1
1 696 . 6 1 1 A 64 64 TYR HA H 64 4.610 4.711 -0.101 1
1 703 . 6 1 1 A 64 64 TYR C C 64 174.140 175.765 -1.625 1
1 704 . 6 1 1 A 64 64 TYR CA C 64 59.030 58.188 0.842 1
1 705 . 6 1 1 A 64 64 TYR CB C 64 38.350 38.635 -0.285 1
1 710 . 6 1 1 A 65 65 ASN H H 65 9.410 8.057 1.353 1
1 711 . 6 1 1 A 65 65 ASN HA H 65 5.010 4.602 0.408 1
1 716 . 6 1 1 A 65 65 ASN C C 65 170.800 174.634 -3.834 1
1 717 . 6 1 1 A 65 65 ASN CA C 65 51.730 52.845 -1.115 1
1 718 . 6 1 1 A 65 65 ASN CB C 65 35.880 37.802 -1.922 1
1 719 . 6 1 1 A 65 65 ASN N N 65 124.590 117.616 6.974 1
1 721 . 6 1 1 A 66 66 THR H H 66 8.040 7.352 0.688 1
1 722 . 6 1 1 A 66 66 THR HA H 66 4.960 5.320 -0.360 1
1 727 . 6 1 1 A 66 66 THR C C 66 169.060 172.811 -3.751 1
1 728 . 6 1 1 A 66 66 THR CA C 66 58.650 59.462 -0.812 1
1 729 . 6 1 1 A 66 66 THR CB C 66 72.830 71.644 1.186 1
1 731 . 6 1 1 A 66 66 THR N N 66 110.130 110.850 -0.720 1
1 732 . 6 1 1 A 67 67 ALA H H 67 8.560 8.912 -0.352 1
1 733 . 6 1 1 A 67 67 ALA HA H 67 4.690 5.212 -0.522 1
1 737 . 6 1 1 A 67 67 ALA C C 67 173.640 176.583 -2.943 1
1 738 . 6 1 1 A 67 67 ALA CA C 67 51.070 50.056 1.014 1
1 739 . 6 1 1 A 67 67 ALA CB C 67 22.560 20.958 1.602 1
1 740 . 6 1 1 A 67 67 ALA N N 67 120.400 124.874 -4.474 1
1 741 . 6 1 1 A 68 68 GLN H H 68 8.910 8.603 0.307 1
1 742 . 6 1 1 A 68 68 GLN HA H 68 4.380 4.375 0.005 1
1 749 . 6 1 1 A 68 68 GLN C C 68 173.320 175.338 -2.018 1
1 750 . 6 1 1 A 68 68 GLN CA C 68 57.610 56.516 1.094 1
1 751 . 6 1 1 A 68 68 GLN CB C 68 29.250 29.204 0.046 1
1 753 . 6 1 1 A 68 68 GLN N N 68 120.570 122.150 -1.580 1
1 755 . 6 1 1 A 69 69 ALA H H 69 8.920 8.628 0.292 1
1 756 . 6 1 1 A 69 69 ALA HA H 69 4.370 4.480 -0.110 1
1 760 . 6 1 1 A 69 69 ALA C C 69 174.630 177.786 -3.156 1
1 761 . 6 1 1 A 69 69 ALA CA C 69 52.080 51.487 0.593 1
1 762 . 6 1 1 A 69 69 ALA CB C 69 19.750 18.893 0.857 1
1 763 . 6 1 1 A 69 69 ALA N N 69 128.720 128.770 -0.050 1
1 764 . 6 1 1 A 70 70 GLY H H 70 8.330 8.828 -0.498 1
1 765 . 6 1 1 A 70 70 GLY HA2 H 70 4.000 4.122 -0.122 1
1 766 . 6 1 1 A 70 70 GLY HA3 H 70 4.000 4.124 -0.124 1
1 767 . 6 1 1 A 70 70 GLY C C 70 171.580 174.192 -2.612 1
1 768 . 6 1 1 A 70 70 GLY CA C 70 45.200 45.957 -0.757 1
1 769 . 6 1 1 A 70 70 GLY N N 70 108.440 112.112 -3.672 1
1 770 . 6 1 1 A 71 71 GLY H H 71 8.330 7.712 0.618 1
1 771 . 6 1 1 A 71 71 GLY HA2 H 71 3.940 4.235 -0.295 1
1 772 . 6 1 1 A 71 71 GLY HA3 H 71 3.940 4.235 -0.295 1
1 773 . 6 1 1 A 71 71 GLY C C 71 171.150 172.099 -0.949 1
1 774 . 6 1 1 A 71 71 GLY CA C 71 45.170 46.257 -1.087 1
1 775 . 6 1 1 A 71 71 GLY N N 71 108.430 107.576 0.854 1
1 776 . 6 1 1 A 72 72 ARG H H 72 8.210 8.657 -0.447 1
1 777 . 6 1 1 A 72 72 ARG HA H 72 4.340 5.246 -0.906 1
1 784 . 6 1 1 A 72 72 ARG C C 72 173.350 174.512 -1.162 1
1 785 . 6 1 1 A 72 72 ARG CA C 72 55.700 53.884 1.816 1
1 786 . 6 1 1 A 72 72 ARG CB C 72 30.900 34.434 -3.534 1
1 789 . 6 1 1 A 72 72 ARG N N 72 120.590 120.862 -0.272 1
1 790 . 6 1 1 A 73 73 ARG H H 73 8.450 8.830 -0.380 1
1 791 . 6 1 1 A 73 73 ARG HA H 73 4.350 4.987 -0.637 1
1 798 . 6 1 1 A 73 73 ARG C C 73 173.200 174.686 -1.486 1
1 799 . 6 1 1 A 73 73 ARG CA C 73 55.560 54.486 1.074 1
1 800 . 6 1 1 A 73 73 ARG CB C 73 30.690 34.080 -3.390 1
1 803 . 6 1 1 A 73 73 ARG N N 73 123.800 119.310 4.490 1
1 804 . 6 1 1 A 74 74 ILE H H 74 8.360 8.616 -0.256 1
1 805 . 6 1 1 A 74 74 ILE HA H 74 4.160 4.246 -0.086 1
1 815 . 6 1 1 A 74 74 ILE C C 74 173.230 175.193 -1.963 1
1 816 . 6 1 1 A 74 74 ILE CA C 74 61.030 61.766 -0.736 1
1 817 . 6 1 1 A 74 74 ILE CB C 74 38.920 37.611 1.309 1
1 821 . 6 1 1 A 74 74 ILE N N 74 123.330 123.167 0.163 1
1 822 . 6 1 1 A 75 75 SER H H 75 8.340 8.802 -0.462 1
1 823 . 6 1 1 A 75 75 SER HA H 75 4.450 4.685 -0.235 1
1 826 . 6 1 1 A 75 75 SER C C 75 171.620 173.468 -1.848 1
1 827 . 6 1 1 A 75 75 SER CA C 75 57.890 56.755 1.135 1
1 828 . 6 1 1 A 75 75 SER CB C 75 64.000 63.750 0.250 1
1 829 . 6 1 1 A 75 75 SER N N 75 119.950 122.974 -3.024 1
1 830 . 6 1 1 A 76 76 LEU H H 76 8.400 9.000 -0.600 1
1 831 . 6 1 1 A 76 76 LEU HA H 76 4.300 4.923 -0.623 1
1 840 . 6 1 1 A 76 76 LEU C C 76 173.730 175.584 -1.854 1
1 841 . 6 1 1 A 76 76 LEU CA C 76 55.510 53.938 1.572 1
1 842 . 6 1 1 A 76 76 LEU CB C 76 42.290 44.244 -1.954 1
1 845 . 6 1 1 A 76 76 LEU N N 76 124.860 130.021 -5.161 1
1 846 . 6 1 1 A 77 77 ASP H H 77 8.240 8.863 -0.623 1
1 847 . 6 1 1 A 77 77 ASP HA H 77 4.530 4.914 -0.384 1
1 850 . 6 1 1 A 77 77 ASP C C 77 173.190 177.289 -4.099 1
1 851 . 6 1 1 A 77 77 ASP CA C 77 54.540 53.155 1.385 1
1 852 . 6 1 1 A 77 77 ASP CB C 77 41.250 42.472 -1.222 1
1 853 . 6 1 1 A 77 77 ASP N N 77 119.920 127.583 -7.663 1
1 854 . 6 1 1 A 78 78 GLN H H 78 8.120 8.062 0.058 1
1 855 . 6 1 1 A 78 78 GLN HA H 78 4.310 4.198 0.112 1
1 862 . 6 1 1 A 78 78 GLN C C 78 171.810 177.403 -5.593 1
1 863 . 6 1 1 A 78 78 GLN CA C 78 55.450 58.498 -3.048 1
1 864 . 6 1 1 A 78 78 GLN CB C 78 29.920 29.222 0.698 1
1 866 . 6 1 1 A 78 78 GLN N N 78 120.080 118.933 1.147 1
1 334 . 7 1 1 A 34 34 MET HA H 34 4.620 4.664 -0.044 1
1 342 . 7 1 1 A 34 34 MET C C 34 172.400 175.095 -2.695 1
1 343 . 7 1 1 A 34 34 MET CA C 34 55.830 55.383 0.447 1
1 344 . 7 1 1 A 34 34 MET CB C 34 34.150 33.441 0.709 1
1 347 . 7 1 1 A 35 35 THR H H 35 8.280 8.534 -0.254 1
1 348 . 7 1 1 A 35 35 THR HA H 35 5.030 5.334 -0.304 1
1 353 . 7 1 1 A 35 35 THR C C 35 171.200 174.220 -3.020 1
1 354 . 7 1 1 A 35 35 THR CA C 35 60.370 60.879 -0.509 1
1 355 . 7 1 1 A 35 35 THR CB C 35 71.110 70.028 1.082 1
1 357 . 7 1 1 A 35 35 THR N N 35 116.750 118.030 -1.280 1
1 358 . 7 1 1 A 36 36 VAL H H 36 9.240 9.367 -0.127 1
1 359 . 7 1 1 A 36 36 VAL HA H 36 4.560 4.927 -0.367 1
1 367 . 7 1 1 A 36 36 VAL C C 36 170.520 174.077 -3.557 1
1 368 . 7 1 1 A 36 36 VAL CA C 36 59.740 58.946 0.794 1
1 369 . 7 1 1 A 36 36 VAL CB C 36 36.040 35.206 0.834 1
1 372 . 7 1 1 A 36 36 VAL N N 36 117.880 121.069 -3.189 1
1 373 . 7 1 1 A 37 37 ASP H H 37 8.330 8.569 -0.239 1
1 374 . 7 1 1 A 37 37 ASP HA H 37 5.470 5.240 0.230 1
1 377 . 7 1 1 A 37 37 ASP C C 37 173.810 176.064 -2.254 1
1 378 . 7 1 1 A 37 37 ASP CA C 37 53.140 54.262 -1.122 1
1 379 . 7 1 1 A 37 37 ASP CB C 37 40.960 42.110 -1.150 1
1 380 . 7 1 1 A 37 37 ASP N N 37 123.580 122.255 1.325 1
1 381 . 7 1 1 A 38 38 ILE H H 38 9.310 8.908 0.402 1
1 382 . 7 1 1 A 38 38 ILE HA H 38 5.060 4.994 0.066 1
1 392 . 7 1 1 A 38 38 ILE C C 38 171.700 174.222 -2.522 1
1 393 . 7 1 1 A 38 38 ILE CA C 38 59.260 59.326 -0.066 1
1 394 . 7 1 1 A 38 38 ILE CB C 38 43.150 40.965 2.185 1
1 398 . 7 1 1 A 38 38 ILE N N 38 116.250 119.025 -2.775 1
1 399 . 7 1 1 A 39 39 LEU H H 39 8.840 9.174 -0.334 1
1 400 . 7 1 1 A 39 39 LEU HA H 39 4.830 5.125 -0.295 1
1 410 . 7 1 1 A 39 39 LEU C C 39 172.350 175.864 -3.514 1
1 411 . 7 1 1 A 39 39 LEU CA C 39 53.060 53.356 -0.296 1
1 412 . 7 1 1 A 39 39 LEU CB C 39 45.380 45.250 0.130 1
1 416 . 7 1 1 A 39 39 LEU N N 39 121.570 127.681 -6.111 1
1 417 . 7 1 1 A 40 40 CYS H H 40 8.460 8.639 -0.179 1
1 418 . 7 1 1 A 40 40 CYS HA H 40 4.390 4.593 -0.203 1
1 421 . 7 1 1 A 40 40 CYS C C 40 174.410 174.375 0.035 1
1 422 . 7 1 1 A 40 40 CYS CA C 40 58.530 59.590 -1.060 1
1 423 . 7 1 1 A 40 40 CYS CB C 40 33.410 27.513 5.897 1
1 424 . 7 1 1 A 40 40 CYS N N 40 127.490 125.775 1.715 1
1 425 . 7 1 1 A 41 41 ASN H H 41 9.280 8.916 0.364 1
1 426 . 7 1 1 A 41 41 ASN HA H 41 4.620 4.668 -0.048 1
1 431 . 7 1 1 A 41 41 ASN C C 41 172.280 176.050 -3.770 1
1 432 . 7 1 1 A 41 41 ASN CA C 41 54.860 54.680 0.180 1
1 433 . 7 1 1 A 41 41 ASN CB C 41 38.710 38.699 0.011 1
1 434 . 7 1 1 A 41 41 ASN N N 41 126.320 123.326 2.994 1
1 436 . 7 1 1 A 42 42 ASP H H 42 9.360 7.979 1.381 1
1 437 . 7 1 1 A 42 42 ASP HA H 42 4.940 4.774 0.166 1
1 440 . 7 1 1 A 42 42 ASP C C 42 174.400 177.547 -3.147 1
1 441 . 7 1 1 A 42 42 ASP CA C 42 56.650 56.274 0.376 1
1 442 . 7 1 1 A 42 42 ASP CB C 42 41.910 41.655 0.255 1
1 443 . 7 1 1 A 42 42 ASP N N 42 123.070 117.182 5.888 1
1 444 . 7 1 1 A 43 43 CYS H H 43 9.260 7.833 1.427 1
1 445 . 7 1 1 A 43 43 CYS HA H 43 4.940 4.405 0.535 1
1 448 . 7 1 1 A 43 43 CYS C C 43 174.140 174.420 -0.280 1
1 449 . 7 1 1 A 43 43 CYS CA C 43 58.590 58.557 0.033 1
1 450 . 7 1 1 A 43 43 CYS CB C 43 31.960 27.634 4.326 1
1 451 . 7 1 1 A 43 43 CYS N N 43 121.590 114.525 7.065 1
1 452 . 7 1 1 A 44 44 ASN H H 44 7.650 8.016 -0.366 1
1 453 . 7 1 1 A 44 44 ASN HA H 44 4.770 4.511 0.259 1
1 458 . 7 1 1 A 44 44 ASN C C 44 171.350 174.094 -2.744 1
1 459 . 7 1 1 A 44 44 ASN CA C 44 55.450 54.621 0.829 1
1 460 . 7 1 1 A 44 44 ASN CB C 44 37.970 36.864 1.106 1
1 461 . 7 1 1 A 44 44 ASN N N 44 118.000 116.305 1.695 1
1 463 . 7 1 1 A 45 45 GLY H H 45 9.220 8.096 1.124 1
1 464 . 7 1 1 A 45 45 GLY HA2 H 45 4.210 4.119 0.091 1
1 465 . 7 1 1 A 45 45 GLY HA3 H 45 3.510 4.120 -0.610 1
1 466 . 7 1 1 A 45 45 GLY C C 45 170.730 172.941 -2.211 1
1 467 . 7 1 1 A 45 45 GLY CA C 45 44.130 44.373 -0.243 1
1 468 . 7 1 1 A 45 45 GLY N N 45 111.320 106.966 4.354 1
1 469 . 7 1 1 A 46 46 ARG H H 46 8.600 8.604 -0.004 1
1 470 . 7 1 1 A 46 46 ARG HA H 46 5.420 5.447 -0.027 1
1 477 . 7 1 1 A 46 46 ARG C C 46 172.900 175.372 -2.472 1
1 478 . 7 1 1 A 46 46 ARG CA C 46 54.460 55.725 -1.265 1
1 479 . 7 1 1 A 46 46 ARG CB C 46 32.270 31.819 0.451 1
1 482 . 7 1 1 A 46 46 ARG N N 46 124.920 121.022 3.898 1
1 483 . 7 1 1 A 47 47 SER H H 47 8.350 8.637 -0.287 1
1 484 . 7 1 1 A 47 47 SER HA H 47 4.790 5.027 -0.237 1
1 487 . 7 1 1 A 47 47 SER C C 47 170.830 172.865 -2.035 1
1 488 . 7 1 1 A 47 47 SER CA C 47 57.720 57.711 0.009 1
1 489 . 7 1 1 A 47 47 SER CB C 47 66.390 65.725 0.665 1
1 490 . 7 1 1 A 47 47 SER N N 47 115.750 117.396 -1.646 1
1 491 . 7 1 1 A 48 48 THR H H 48 8.570 8.872 -0.302 1
1 492 . 7 1 1 A 48 48 THR HA H 48 5.210 4.755 0.455 1
1 497 . 7 1 1 A 48 48 THR C C 48 171.920 174.413 -2.493 1
1 498 . 7 1 1 A 48 48 THR CA C 48 62.350 62.466 -0.116 1
1 499 . 7 1 1 A 48 48 THR CB C 48 70.320 68.534 1.786 1
1 501 . 7 1 1 A 48 48 THR N N 48 120.420 122.406 -1.986 1
1 502 . 7 1 1 A 49 49 VAL H H 49 9.020 8.829 0.191 1
1 503 . 7 1 1 A 49 49 VAL HA H 49 4.800 5.059 -0.259 1
1 511 . 7 1 1 A 49 49 VAL C C 49 171.700 175.134 -3.434 1
1 512 . 7 1 1 A 49 49 VAL CA C 49 58.540 58.948 -0.408 1
1 513 . 7 1 1 A 49 49 VAL CB C 49 36.420 35.440 0.980 1
1 516 . 7 1 1 A 49 49 VAL N N 49 119.320 120.165 -0.845 1
1 517 . 7 1 1 A 50 50 GLN H H 50 8.320 8.349 -0.029 1
1 518 . 7 1 1 A 50 50 GLN HA H 50 4.450 4.554 -0.104 1
1 525 . 7 1 1 A 50 50 GLN C C 50 173.270 176.127 -2.857 1
1 526 . 7 1 1 A 50 50 GLN CA C 50 55.860 56.659 -0.799 1
1 527 . 7 1 1 A 50 50 GLN CB C 50 29.250 29.083 0.167 1
1 529 . 7 1 1 A 50 50 GLN N N 50 119.390 120.326 -0.936 1
1 531 . 7 1 1 A 51 51 PHE H H 51 8.690 8.711 -0.021 1
1 532 . 7 1 1 A 51 51 PHE HA H 51 4.430 4.668 -0.238 1
1 539 . 7 1 1 A 51 51 PHE C C 51 171.970 174.154 -2.184 1
1 540 . 7 1 1 A 51 51 PHE CA C 51 58.850 57.158 1.692 1
1 541 . 7 1 1 A 51 51 PHE CB C 51 40.100 39.089 1.011 1
1 546 . 7 1 1 A 51 51 PHE N N 51 125.010 123.956 1.054 1
1 547 . 7 1 1 A 52 52 HIS H H 52 6.480 8.501 -2.021 1
1 548 . 7 1 1 A 52 52 HIS HA H 52 4.100 4.871 -0.771 1
1 553 . 7 1 1 A 52 52 HIS CA C 52 57.230 54.710 2.520 1
1 554 . 7 1 1 A 52 52 HIS CB C 52 34.130 30.935 3.195 1
1 557 . 7 1 1 A 52 52 HIS N N 52 126.100 127.337 -1.237 1
1 558 . 7 1 1 A 53 53 ILE HA H 53 3.760 3.286 0.474 1
1 568 . 7 1 1 A 53 53 ILE CA C 53 62.780 64.729 -1.949 1
1 569 . 7 1 1 A 53 53 ILE CB C 53 38.920 37.383 1.537 1
1 573 . 7 1 1 A 54 54 LEU HA H 54 4.370 4.282 0.088 1
1 583 . 7 1 1 A 54 54 LEU C C 54 174.460 175.989 -1.529 1
1 584 . 7 1 1 A 54 54 LEU CA C 54 55.430 54.321 1.109 1
1 585 . 7 1 1 A 54 54 LEU CB C 54 41.760 41.906 -0.146 1
1 589 . 7 1 1 A 55 55 GLY H H 55 7.100 7.347 -0.247 1
1 590 . 7 1 1 A 55 55 GLY HA2 H 55 4.280 4.119 0.161 1
1 591 . 7 1 1 A 55 55 GLY HA3 H 55 3.760 4.163 -0.403 1
1 592 . 7 1 1 A 55 55 GLY C C 55 182.880 173.560 9.320 1
1 593 . 7 1 1 A 55 55 GLY CA C 55 45.070 44.703 0.367 1
1 594 . 7 1 1 A 55 55 GLY N N 55 106.000 107.296 -1.296 1
1 595 . 7 1 1 A 56 56 MET H H 56 8.650 8.648 0.002 1
1 596 . 7 1 1 A 56 56 MET HA H 56 4.500 4.706 -0.206 1
1 604 . 7 1 1 A 56 56 MET C C 56 170.320 175.946 -5.626 1
1 605 . 7 1 1 A 56 56 MET CA C 56 55.110 55.751 -0.641 1
1 606 . 7 1 1 A 56 56 MET CB C 56 35.270 32.878 2.392 1
1 609 . 7 1 1 A 56 56 MET N N 56 120.630 123.370 -2.740 1
1 610 . 7 1 1 A 57 57 LYS H H 57 7.850 8.552 -0.702 1
1 611 . 7 1 1 A 57 57 LYS HA H 57 3.520 4.894 -1.374 1
1 620 . 7 1 1 A 57 57 LYS C C 57 172.230 176.279 -4.049 1
1 621 . 7 1 1 A 57 57 LYS CA C 57 54.850 54.733 0.117 1
1 622 . 7 1 1 A 57 57 LYS CB C 57 33.420 34.599 -1.179 1
1 626 . 7 1 1 A 57 57 LYS N N 57 125.140 123.847 1.293 1
1 627 . 7 1 1 A 58 58 CYS H H 58 8.680 8.698 -0.018 1
1 628 . 7 1 1 A 58 58 CYS HA H 58 3.630 4.510 -0.880 1
1 631 . 7 1 1 A 58 58 CYS C C 58 175.080 175.522 -0.442 1
1 632 . 7 1 1 A 58 58 CYS CA C 58 60.100 59.792 0.308 1
1 633 . 7 1 1 A 58 58 CYS CB C 58 30.620 28.097 2.523 1
1 634 . 7 1 1 A 58 58 CYS N N 58 126.470 125.476 0.994 1
1 635 . 7 1 1 A 59 59 LYS H H 59 7.450 8.615 -1.165 1
1 636 . 7 1 1 A 59 59 LYS HA H 59 4.020 4.790 -0.770 1
1 645 . 7 1 1 A 59 59 LYS C C 59 173.460 177.513 -4.053 1
1 646 . 7 1 1 A 59 59 LYS CA C 59 57.850 57.299 0.551 1
1 647 . 7 1 1 A 59 59 LYS CB C 59 33.080 32.333 0.747 1
1 651 . 7 1 1 A 59 59 LYS N N 59 128.510 128.014 0.496 1
1 652 . 7 1 1 A 60 60 ILE H H 60 9.120 7.404 1.716 1
1 653 . 7 1 1 A 60 60 ILE HA H 60 3.840 4.012 -0.172 1
1 663 . 7 1 1 A 60 60 ILE C C 60 174.920 177.626 -2.706 1
1 664 . 7 1 1 A 60 60 ILE CA C 60 63.990 63.683 0.307 1
1 665 . 7 1 1 A 60 60 ILE CB C 60 38.510 38.686 -0.176 1
1 669 . 7 1 1 A 60 60 ILE N N 60 122.830 118.536 4.294 1
1 670 . 7 1 1 A 61 61 CYS H H 61 8.900 7.796 1.104 1
1 671 . 7 1 1 A 61 61 CYS HA H 61 4.960 4.563 0.397 1
1 674 . 7 1 1 A 61 61 CYS C C 61 173.530 175.099 -1.569 1
1 675 . 7 1 1 A 61 61 CYS CA C 61 58.750 58.346 0.404 1
1 676 . 7 1 1 A 61 61 CYS CB C 61 32.740 29.692 3.048 1
1 677 . 7 1 1 A 61 61 CYS N N 61 120.650 115.791 4.859 1
1 678 . 7 1 1 A 62 62 GLU H H 62 7.240 7.928 -0.688 1
1 679 . 7 1 1 A 62 62 GLU HA H 62 3.830 4.178 -0.348 1
1 684 . 7 1 1 A 62 62 GLU C C 62 170.720 174.694 -3.974 1
1 685 . 7 1 1 A 62 62 GLU CA C 62 58.960 57.415 1.545 1
1 686 . 7 1 1 A 62 62 GLU CB C 62 26.790 27.282 -0.492 1
1 688 . 7 1 1 A 62 62 GLU N N 62 114.650 116.762 -2.112 1
1 689 . 7 1 1 A 63 63 SER H H 63 8.130 7.908 0.222 1
1 690 . 7 1 1 A 63 63 SER HA H 63 4.390 4.905 -0.515 1
1 693 . 7 1 1 A 63 63 SER CA C 63 58.130 57.424 0.706 1
1 694 . 7 1 1 A 63 63 SER CB C 63 64.180 65.232 -1.052 1
1 695 . 7 1 1 A 63 63 SER N N 63 114.690 114.414 0.276 1
1 696 . 7 1 1 A 64 64 TYR HA H 64 4.610 4.884 -0.274 1
1 703 . 7 1 1 A 64 64 TYR C C 64 174.140 176.096 -1.956 1
1 704 . 7 1 1 A 64 64 TYR CA C 64 59.030 57.690 1.340 1
1 705 . 7 1 1 A 64 64 TYR CB C 64 38.350 38.763 -0.413 1
1 710 . 7 1 1 A 65 65 ASN H H 65 9.410 7.356 2.054 1
1 711 . 7 1 1 A 65 65 ASN HA H 65 5.010 4.513 0.497 1
1 716 . 7 1 1 A 65 65 ASN C C 65 170.800 173.826 -3.026 1
1 717 . 7 1 1 A 65 65 ASN CA C 65 51.730 52.295 -0.565 1
1 718 . 7 1 1 A 65 65 ASN CB C 65 35.880 37.474 -1.594 1
1 719 . 7 1 1 A 65 65 ASN N N 65 124.590 119.628 4.962 1
1 721 . 7 1 1 A 66 66 THR H H 66 8.040 8.214 -0.174 1
1 722 . 7 1 1 A 66 66 THR HA H 66 4.960 5.054 -0.094 1
1 727 . 7 1 1 A 66 66 THR C C 66 169.060 172.691 -3.631 1
1 728 . 7 1 1 A 66 66 THR CA C 66 58.650 59.773 -1.123 1
1 729 . 7 1 1 A 66 66 THR CB C 66 72.830 72.732 0.098 1
1 731 . 7 1 1 A 66 66 THR N N 66 110.130 116.701 -6.571 1
1 732 . 7 1 1 A 67 67 ALA H H 67 8.560 9.147 -0.587 1
1 733 . 7 1 1 A 67 67 ALA HA H 67 4.690 5.226 -0.536 1
1 737 . 7 1 1 A 67 67 ALA C C 67 173.640 176.115 -2.475 1
1 738 . 7 1 1 A 67 67 ALA CA C 67 51.070 50.122 0.948 1
1 739 . 7 1 1 A 67 67 ALA CB C 67 22.560 21.768 0.792 1
1 740 . 7 1 1 A 67 67 ALA N N 67 120.400 123.518 -3.118 1
1 741 . 7 1 1 A 68 68 GLN H H 68 8.910 8.673 0.237 1
1 742 . 7 1 1 A 68 68 GLN HA H 68 4.380 4.479 -0.099 1
1 749 . 7 1 1 A 68 68 GLN C C 68 173.320 175.723 -2.403 1
1 750 . 7 1 1 A 68 68 GLN CA C 68 57.610 56.299 1.311 1
1 751 . 7 1 1 A 68 68 GLN CB C 68 29.250 29.233 0.017 1
1 753 . 7 1 1 A 68 68 GLN N N 68 120.570 124.170 -3.600 1
1 755 . 7 1 1 A 69 69 ALA H H 69 8.920 8.827 0.093 1
1 756 . 7 1 1 A 69 69 ALA HA H 69 4.370 4.397 -0.027 1
1 760 . 7 1 1 A 69 69 ALA C C 69 174.630 177.866 -3.236 1
1 761 . 7 1 1 A 69 69 ALA CA C 69 52.080 52.128 -0.048 1
1 762 . 7 1 1 A 69 69 ALA CB C 69 19.750 19.081 0.669 1
1 763 . 7 1 1 A 69 69 ALA N N 69 128.720 128.783 -0.063 1
1 764 . 7 1 1 A 70 70 GLY H H 70 8.330 8.678 -0.348 1
1 765 . 7 1 1 A 70 70 GLY HA2 H 70 4.000 3.822 0.178 1
1 766 . 7 1 1 A 70 70 GLY HA3 H 70 4.000 3.823 0.177 1
1 767 . 7 1 1 A 70 70 GLY C C 70 171.580 174.733 -3.153 1
1 768 . 7 1 1 A 70 70 GLY CA C 70 45.200 46.365 -1.165 1
1 769 . 7 1 1 A 70 70 GLY N N 70 108.440 111.835 -3.395 1
1 770 . 7 1 1 A 71 71 GLY H H 71 8.330 7.506 0.824 1
1 771 . 7 1 1 A 71 71 GLY HA2 H 71 3.940 4.017 -0.077 1
1 772 . 7 1 1 A 71 71 GLY HA3 H 71 3.940 4.018 -0.078 1
1 773 . 7 1 1 A 71 71 GLY C C 71 171.150 171.839 -0.689 1
1 774 . 7 1 1 A 71 71 GLY CA C 71 45.170 45.073 0.097 1
1 775 . 7 1 1 A 71 71 GLY N N 71 108.430 105.673 2.757 1
1 776 . 7 1 1 A 72 72 ARG H H 72 8.210 8.442 -0.232 1
1 777 . 7 1 1 A 72 72 ARG HA H 72 4.340 4.643 -0.303 1
1 784 . 7 1 1 A 72 72 ARG C C 72 173.350 174.955 -1.605 1
1 785 . 7 1 1 A 72 72 ARG CA C 72 55.700 55.819 -0.119 1
1 786 . 7 1 1 A 72 72 ARG CB C 72 30.900 31.193 -0.293 1
1 789 . 7 1 1 A 72 72 ARG N N 72 120.590 121.427 -0.837 1
1 790 . 7 1 1 A 73 73 ARG H H 73 8.450 8.903 -0.453 1
1 791 . 7 1 1 A 73 73 ARG HA H 73 4.350 4.831 -0.481 1
1 798 . 7 1 1 A 73 73 ARG C C 73 173.200 174.959 -1.759 1
1 799 . 7 1 1 A 73 73 ARG CA C 73 55.560 54.863 0.697 1
1 800 . 7 1 1 A 73 73 ARG CB C 73 30.690 31.011 -0.321 1
1 803 . 7 1 1 A 73 73 ARG N N 73 123.800 128.007 -4.207 1
1 804 . 7 1 1 A 74 74 ILE H H 74 8.360 8.525 -0.165 1
1 805 . 7 1 1 A 74 74 ILE HA H 74 4.160 4.507 -0.347 1
1 815 . 7 1 1 A 74 74 ILE C C 74 173.230 175.816 -2.586 1
1 816 . 7 1 1 A 74 74 ILE CA C 74 61.030 60.733 0.297 1
1 817 . 7 1 1 A 74 74 ILE CB C 74 38.920 39.444 -0.524 1
1 821 . 7 1 1 A 74 74 ILE N N 74 123.330 127.119 -3.789 1
1 822 . 7 1 1 A 75 75 SER H H 75 8.340 8.878 -0.538 1
1 823 . 7 1 1 A 75 75 SER HA H 75 4.450 4.547 -0.097 1
1 826 . 7 1 1 A 75 75 SER C C 75 171.620 174.229 -2.609 1
1 827 . 7 1 1 A 75 75 SER CA C 75 57.890 59.163 -1.273 1
1 828 . 7 1 1 A 75 75 SER CB C 75 64.000 63.846 0.154 1
1 829 . 7 1 1 A 75 75 SER N N 75 119.950 121.600 -1.650 1
1 830 . 7 1 1 A 76 76 LEU H H 76 8.400 7.865 0.535 1
1 831 . 7 1 1 A 76 76 LEU HA H 76 4.300 4.708 -0.408 1
1 840 . 7 1 1 A 76 76 LEU C C 76 173.730 174.074 -0.344 1
1 841 . 7 1 1 A 76 76 LEU CA C 76 55.510 54.377 1.133 1
1 842 . 7 1 1 A 76 76 LEU CB C 76 42.290 44.134 -1.844 1
1 845 . 7 1 1 A 76 76 LEU N N 76 124.860 120.301 4.559 1
1 846 . 7 1 1 A 77 77 ASP H H 77 8.240 9.057 -0.817 1
1 847 . 7 1 1 A 77 77 ASP HA H 77 4.530 5.008 -0.478 1
1 850 . 7 1 1 A 77 77 ASP C C 77 173.190 174.947 -1.757 1
1 851 . 7 1 1 A 77 77 ASP CA C 77 54.540 53.085 1.455 1
1 852 . 7 1 1 A 77 77 ASP CB C 77 41.250 41.055 0.195 1
1 853 . 7 1 1 A 77 77 ASP N N 77 119.920 128.532 -8.612 1
1 854 . 7 1 1 A 78 78 GLN H H 78 8.120 8.097 0.023 1
1 855 . 7 1 1 A 78 78 GLN HA H 78 4.310 4.676 -0.366 1
1 862 . 7 1 1 A 78 78 GLN C C 78 171.810 174.507 -2.697 1
1 863 . 7 1 1 A 78 78 GLN CA C 78 55.450 55.120 0.330 1
1 864 . 7 1 1 A 78 78 GLN CB C 78 29.920 32.178 -2.258 1
1 866 . 7 1 1 A 78 78 GLN N N 78 120.080 124.228 -4.148 1
1 334 . 8 1 1 A 34 34 MET HA H 34 4.620 4.477 0.143 1
1 342 . 8 1 1 A 34 34 MET C C 34 172.400 176.106 -3.706 1
1 343 . 8 1 1 A 34 34 MET CA C 34 55.830 55.528 0.302 1
1 344 . 8 1 1 A 34 34 MET CB C 34 34.150 32.980 1.170 1
1 347 . 8 1 1 A 35 35 THR H H 35 8.280 8.617 -0.337 1
1 348 . 8 1 1 A 35 35 THR HA H 35 5.030 5.241 -0.211 1
1 353 . 8 1 1 A 35 35 THR C C 35 171.200 174.291 -3.091 1
1 354 . 8 1 1 A 35 35 THR CA C 35 60.370 60.888 -0.518 1
1 355 . 8 1 1 A 35 35 THR CB C 35 71.110 70.120 0.990 1
1 357 . 8 1 1 A 35 35 THR N N 35 116.750 115.532 1.218 1
1 358 . 8 1 1 A 36 36 VAL H H 36 9.240 9.216 0.024 1
1 359 . 8 1 1 A 36 36 VAL HA H 36 4.560 4.995 -0.435 1
1 367 . 8 1 1 A 36 36 VAL C C 36 170.520 173.924 -3.404 1
1 368 . 8 1 1 A 36 36 VAL CA C 36 59.740 58.685 1.055 1
1 369 . 8 1 1 A 36 36 VAL CB C 36 36.040 35.391 0.649 1
1 372 . 8 1 1 A 36 36 VAL N N 36 117.880 121.505 -3.625 1
1 373 . 8 1 1 A 37 37 ASP H H 37 8.330 8.779 -0.449 1
1 374 . 8 1 1 A 37 37 ASP HA H 37 5.470 5.569 -0.099 1
1 377 . 8 1 1 A 37 37 ASP C C 37 173.810 175.403 -1.593 1
1 378 . 8 1 1 A 37 37 ASP CA C 37 53.140 52.512 0.628 1
1 379 . 8 1 1 A 37 37 ASP CB C 37 40.960 42.456 -1.496 1
1 380 . 8 1 1 A 37 37 ASP N N 37 123.580 120.898 2.682 1
1 381 . 8 1 1 A 38 38 ILE H H 38 9.310 9.060 0.250 1
1 382 . 8 1 1 A 38 38 ILE HA H 38 5.060 5.029 0.031 1
1 392 . 8 1 1 A 38 38 ILE C C 38 171.700 174.226 -2.526 1
1 393 . 8 1 1 A 38 38 ILE CA C 38 59.260 59.199 0.061 1
1 394 . 8 1 1 A 38 38 ILE CB C 38 43.150 40.923 2.227 1
1 398 . 8 1 1 A 38 38 ILE N N 38 116.250 120.185 -3.935 1
1 399 . 8 1 1 A 39 39 LEU H H 39 8.840 9.198 -0.358 1
1 400 . 8 1 1 A 39 39 LEU HA H 39 4.830 5.114 -0.284 1
1 410 . 8 1 1 A 39 39 LEU C C 39 172.350 175.867 -3.517 1
1 411 . 8 1 1 A 39 39 LEU CA C 39 53.060 53.597 -0.537 1
1 412 . 8 1 1 A 39 39 LEU CB C 39 45.380 45.279 0.101 1
1 416 . 8 1 1 A 39 39 LEU N N 39 121.570 126.632 -5.062 1
1 417 . 8 1 1 A 40 40 CYS H H 40 8.460 8.706 -0.246 1
1 418 . 8 1 1 A 40 40 CYS HA H 40 4.390 4.412 -0.022 1
1 421 . 8 1 1 A 40 40 CYS C C 40 174.410 174.381 0.029 1
1 422 . 8 1 1 A 40 40 CYS CA C 40 58.530 60.145 -1.615 1
1 423 . 8 1 1 A 40 40 CYS CB C 40 33.410 27.959 5.451 1
1 424 . 8 1 1 A 40 40 CYS N N 40 127.490 125.001 2.489 1
1 425 . 8 1 1 A 41 41 ASN H H 41 9.280 8.814 0.466 1
1 426 . 8 1 1 A 41 41 ASN HA H 41 4.620 4.682 -0.062 1
1 431 . 8 1 1 A 41 41 ASN C C 41 172.280 176.295 -4.015 1
1 432 . 8 1 1 A 41 41 ASN CA C 41 54.860 54.915 -0.055 1
1 433 . 8 1 1 A 41 41 ASN CB C 41 38.710 39.180 -0.470 1
1 434 . 8 1 1 A 41 41 ASN N N 41 126.320 123.610 2.710 1
1 436 . 8 1 1 A 42 42 ASP H H 42 9.360 8.221 1.139 1
1 437 . 8 1 1 A 42 42 ASP HA H 42 4.940 4.574 0.366 1
1 440 . 8 1 1 A 42 42 ASP C C 42 174.400 177.780 -3.380 1
1 441 . 8 1 1 A 42 42 ASP CA C 42 56.650 56.886 -0.236 1
1 442 . 8 1 1 A 42 42 ASP CB C 42 41.910 41.147 0.763 1
1 443 . 8 1 1 A 42 42 ASP N N 42 123.070 117.281 5.789 1
1 444 . 8 1 1 A 43 43 CYS H H 43 9.260 7.781 1.479 1
1 445 . 8 1 1 A 43 43 CYS HA H 43 4.940 4.403 0.537 1
1 448 . 8 1 1 A 43 43 CYS C C 43 174.140 174.348 -0.208 1
1 449 . 8 1 1 A 43 43 CYS CA C 43 58.590 58.591 -0.001 1
1 450 . 8 1 1 A 43 43 CYS CB C 43 31.960 27.472 4.488 1
1 451 . 8 1 1 A 43 43 CYS N N 43 121.590 114.302 7.288 1
1 452 . 8 1 1 A 44 44 ASN H H 44 7.650 8.031 -0.381 1
1 453 . 8 1 1 A 44 44 ASN HA H 44 4.770 4.547 0.223 1
1 458 . 8 1 1 A 44 44 ASN C C 44 171.350 174.165 -2.815 1
1 459 . 8 1 1 A 44 44 ASN CA C 44 55.450 54.680 0.770 1
1 460 . 8 1 1 A 44 44 ASN CB C 44 37.970 36.929 1.041 1
1 461 . 8 1 1 A 44 44 ASN N N 44 118.000 116.020 1.980 1
1 463 . 8 1 1 A 45 45 GLY H H 45 9.220 8.069 1.151 1
1 464 . 8 1 1 A 45 45 GLY HA2 H 45 4.210 4.190 0.020 1
1 465 . 8 1 1 A 45 45 GLY HA3 H 45 3.510 4.191 -0.681 1
1 466 . 8 1 1 A 45 45 GLY C C 45 170.730 172.891 -2.161 1
1 467 . 8 1 1 A 45 45 GLY CA C 45 44.130 44.277 -0.147 1
1 468 . 8 1 1 A 45 45 GLY N N 45 111.320 106.854 4.466 1
1 469 . 8 1 1 A 46 46 ARG H H 46 8.600 8.794 -0.194 1
1 470 . 8 1 1 A 46 46 ARG HA H 46 5.420 5.249 0.171 1
1 477 . 8 1 1 A 46 46 ARG C C 46 172.900 175.253 -2.353 1
1 478 . 8 1 1 A 46 46 ARG CA C 46 54.460 55.626 -1.166 1
1 479 . 8 1 1 A 46 46 ARG CB C 46 32.270 31.662 0.608 1
1 482 . 8 1 1 A 46 46 ARG N N 46 124.920 120.256 4.664 1
1 483 . 8 1 1 A 47 47 SER H H 47 8.350 8.837 -0.487 1
1 484 . 8 1 1 A 47 47 SER HA H 47 4.790 5.143 -0.353 1
1 487 . 8 1 1 A 47 47 SER C C 47 170.830 173.026 -2.196 1
1 488 . 8 1 1 A 47 47 SER CA C 47 57.720 57.203 0.517 1
1 489 . 8 1 1 A 47 47 SER CB C 47 66.390 65.621 0.769 1
1 490 . 8 1 1 A 47 47 SER N N 47 115.750 117.940 -2.190 1
1 491 . 8 1 1 A 48 48 THR H H 48 8.570 8.779 -0.209 1
1 492 . 8 1 1 A 48 48 THR HA H 48 5.210 5.094 0.116 1
1 497 . 8 1 1 A 48 48 THR C C 48 171.920 174.122 -2.202 1
1 498 . 8 1 1 A 48 48 THR CA C 48 62.350 61.999 0.351 1
1 499 . 8 1 1 A 48 48 THR CB C 48 70.320 69.384 0.936 1
1 501 . 8 1 1 A 48 48 THR N N 48 120.420 121.316 -0.896 1
1 502 . 8 1 1 A 49 49 VAL H H 49 9.020 8.761 0.259 1
1 503 . 8 1 1 A 49 49 VAL HA H 49 4.800 5.083 -0.283 1
1 511 . 8 1 1 A 49 49 VAL C C 49 171.700 175.202 -3.502 1
1 512 . 8 1 1 A 49 49 VAL CA C 49 58.540 58.754 -0.214 1
1 513 . 8 1 1 A 49 49 VAL CB C 49 36.420 35.485 0.935 1
1 516 . 8 1 1 A 49 49 VAL N N 49 119.320 120.010 -0.690 1
1 517 . 8 1 1 A 50 50 GLN H H 50 8.320 8.349 -0.029 1
1 518 . 8 1 1 A 50 50 GLN HA H 50 4.450 4.616 -0.166 1
1 525 . 8 1 1 A 50 50 GLN C C 50 173.270 176.010 -2.740 1
1 526 . 8 1 1 A 50 50 GLN CA C 50 55.860 56.481 -0.621 1
1 527 . 8 1 1 A 50 50 GLN CB C 50 29.250 29.136 0.114 1
1 529 . 8 1 1 A 50 50 GLN N N 50 119.390 120.209 -0.819 1
1 531 . 8 1 1 A 51 51 PHE H H 51 8.690 8.710 -0.020 1
1 532 . 8 1 1 A 51 51 PHE HA H 51 4.430 4.689 -0.259 1
1 539 . 8 1 1 A 51 51 PHE C C 51 171.970 174.407 -2.437 1
1 540 . 8 1 1 A 51 51 PHE CA C 51 58.850 57.131 1.719 1
1 541 . 8 1 1 A 51 51 PHE CB C 51 40.100 38.814 1.286 1
1 546 . 8 1 1 A 51 51 PHE N N 51 125.010 123.418 1.592 1
1 547 . 8 1 1 A 52 52 HIS H H 52 6.480 8.384 -1.904 1
1 548 . 8 1 1 A 52 52 HIS HA H 52 4.100 4.753 -0.653 1
1 553 . 8 1 1 A 52 52 HIS CA C 52 57.230 54.970 2.260 1
1 554 . 8 1 1 A 52 52 HIS CB C 52 34.130 30.386 3.744 1
1 557 . 8 1 1 A 52 52 HIS N N 52 126.100 127.402 -1.302 1
1 558 . 8 1 1 A 53 53 ILE HA H 53 3.760 3.349 0.411 1
1 568 . 8 1 1 A 53 53 ILE CA C 53 62.780 63.624 -0.844 1
1 569 . 8 1 1 A 53 53 ILE CB C 53 38.920 37.321 1.599 1
1 573 . 8 1 1 A 54 54 LEU HA H 54 4.370 4.160 0.210 1
1 583 . 8 1 1 A 54 54 LEU C C 54 174.460 176.087 -1.627 1
1 584 . 8 1 1 A 54 54 LEU CA C 54 55.430 54.500 0.930 1
1 585 . 8 1 1 A 54 54 LEU CB C 54 41.760 42.013 -0.253 1
1 589 . 8 1 1 A 55 55 GLY H H 55 7.100 6.894 0.206 1
1 590 . 8 1 1 A 55 55 GLY HA2 H 55 4.280 3.884 0.396 1
1 591 . 8 1 1 A 55 55 GLY HA3 H 55 3.760 3.991 -0.231 1
1 592 . 8 1 1 A 55 55 GLY C C 55 182.880 173.092 9.788 1
1 593 . 8 1 1 A 55 55 GLY CA C 55 45.070 44.874 0.196 1
1 594 . 8 1 1 A 55 55 GLY N N 55 106.000 107.020 -1.020 1
1 595 . 8 1 1 A 56 56 MET H H 56 8.650 8.629 0.021 1
1 596 . 8 1 1 A 56 56 MET HA H 56 4.500 4.753 -0.253 1
1 604 . 8 1 1 A 56 56 MET C C 56 170.320 175.883 -5.563 1
1 605 . 8 1 1 A 56 56 MET CA C 56 55.110 55.292 -0.182 1
1 606 . 8 1 1 A 56 56 MET CB C 56 35.270 32.503 2.767 1
1 609 . 8 1 1 A 56 56 MET N N 56 120.630 124.190 -3.560 1
1 610 . 8 1 1 A 57 57 LYS H H 57 7.850 8.705 -0.855 1
1 611 . 8 1 1 A 57 57 LYS HA H 57 3.520 4.824 -1.304 1
1 620 . 8 1 1 A 57 57 LYS C C 57 172.230 176.020 -3.790 1
1 621 . 8 1 1 A 57 57 LYS CA C 57 54.850 55.338 -0.488 1
1 622 . 8 1 1 A 57 57 LYS CB C 57 33.420 33.706 -0.286 1
1 626 . 8 1 1 A 57 57 LYS N N 57 125.140 125.584 -0.444 1
1 627 . 8 1 1 A 58 58 CYS H H 58 8.680 8.287 0.393 1
1 628 . 8 1 1 A 58 58 CYS HA H 58 3.630 4.500 -0.870 1
1 631 . 8 1 1 A 58 58 CYS C C 58 175.080 175.813 -0.733 1
1 632 . 8 1 1 A 58 58 CYS CA C 58 60.100 59.843 0.257 1
1 633 . 8 1 1 A 58 58 CYS CB C 58 30.620 28.661 1.959 1
1 634 . 8 1 1 A 58 58 CYS N N 58 126.470 125.339 1.131 1
1 635 . 8 1 1 A 59 59 LYS H H 59 7.450 8.879 -1.429 1
1 636 . 8 1 1 A 59 59 LYS HA H 59 4.020 4.436 -0.416 1
1 645 . 8 1 1 A 59 59 LYS C C 59 173.460 177.199 -3.739 1
1 646 . 8 1 1 A 59 59 LYS CA C 59 57.850 56.739 1.111 1
1 647 . 8 1 1 A 59 59 LYS CB C 59 33.080 31.894 1.186 1
1 651 . 8 1 1 A 59 59 LYS N N 59 128.510 127.698 0.812 1
1 652 . 8 1 1 A 60 60 ILE H H 60 9.120 7.713 1.407 1
1 653 . 8 1 1 A 60 60 ILE HA H 60 3.840 4.069 -0.229 1
1 663 . 8 1 1 A 60 60 ILE C C 60 174.920 177.605 -2.685 1
1 664 . 8 1 1 A 60 60 ILE CA C 60 63.990 62.459 1.531 1
1 665 . 8 1 1 A 60 60 ILE CB C 60 38.510 39.190 -0.680 1
1 669 . 8 1 1 A 60 60 ILE N N 60 122.830 118.185 4.645 1
1 670 . 8 1 1 A 61 61 CYS H H 61 8.900 7.789 1.111 1
1 671 . 8 1 1 A 61 61 CYS HA H 61 4.960 4.577 0.383 1
1 674 . 8 1 1 A 61 61 CYS C C 61 173.530 175.498 -1.968 1
1 675 . 8 1 1 A 61 61 CYS CA C 61 58.750 58.292 0.458 1
1 676 . 8 1 1 A 61 61 CYS CB C 61 32.740 29.746 2.994 1
1 677 . 8 1 1 A 61 61 CYS N N 61 120.650 116.054 4.596 1
1 678 . 8 1 1 A 62 62 GLU H H 62 7.240 8.141 -0.901 1
1 679 . 8 1 1 A 62 62 GLU HA H 62 3.830 4.021 -0.191 1
1 684 . 8 1 1 A 62 62 GLU C C 62 170.720 174.242 -3.522 1
1 685 . 8 1 1 A 62 62 GLU CA C 62 58.960 57.612 1.348 1
1 686 . 8 1 1 A 62 62 GLU CB C 62 26.790 26.986 -0.196 1
1 688 . 8 1 1 A 62 62 GLU N N 62 114.650 116.628 -1.978 1
1 689 . 8 1 1 A 63 63 SER H H 63 8.130 7.749 0.381 1
1 690 . 8 1 1 A 63 63 SER HA H 63 4.390 4.806 -0.416 1
1 693 . 8 1 1 A 63 63 SER CA C 63 58.130 56.054 2.076 1
1 694 . 8 1 1 A 63 63 SER CB C 63 64.180 64.970 -0.790 1
1 695 . 8 1 1 A 63 63 SER N N 63 114.690 114.200 0.490 1
1 696 . 8 1 1 A 64 64 TYR HA H 64 4.610 4.881 -0.271 1
1 703 . 8 1 1 A 64 64 TYR C C 64 174.140 175.960 -1.820 1
1 704 . 8 1 1 A 64 64 TYR CA C 64 59.030 57.637 1.393 1
1 705 . 8 1 1 A 64 64 TYR CB C 64 38.350 38.831 -0.481 1
1 710 . 8 1 1 A 65 65 ASN H H 65 9.410 7.099 2.311 1
1 711 . 8 1 1 A 65 65 ASN HA H 65 5.010 4.680 0.330 1
1 716 . 8 1 1 A 65 65 ASN C C 65 170.800 173.958 -3.158 1
1 717 . 8 1 1 A 65 65 ASN CA C 65 51.730 52.589 -0.859 1
1 718 . 8 1 1 A 65 65 ASN CB C 65 35.880 37.747 -1.867 1
1 719 . 8 1 1 A 65 65 ASN N N 65 124.590 120.181 4.409 1
1 721 . 8 1 1 A 66 66 THR H H 66 8.040 8.263 -0.223 1
1 722 . 8 1 1 A 66 66 THR HA H 66 4.960 5.141 -0.181 1
1 727 . 8 1 1 A 66 66 THR C C 66 169.060 172.606 -3.546 1
1 728 . 8 1 1 A 66 66 THR CA C 66 58.650 59.672 -1.022 1
1 729 . 8 1 1 A 66 66 THR CB C 66 72.830 73.012 -0.182 1
1 731 . 8 1 1 A 66 66 THR N N 66 110.130 116.738 -6.608 1
1 732 . 8 1 1 A 67 67 ALA H H 67 8.560 9.176 -0.616 1
1 733 . 8 1 1 A 67 67 ALA HA H 67 4.690 5.290 -0.600 1
1 737 . 8 1 1 A 67 67 ALA C C 67 173.640 175.530 -1.890 1
1 738 . 8 1 1 A 67 67 ALA CA C 67 51.070 50.198 0.872 1
1 739 . 8 1 1 A 67 67 ALA CB C 67 22.560 22.283 0.277 1
1 740 . 8 1 1 A 67 67 ALA N N 67 120.400 123.183 -2.783 1
1 741 . 8 1 1 A 68 68 GLN H H 68 8.910 8.593 0.317 1
1 742 . 8 1 1 A 68 68 GLN HA H 68 4.380 4.502 -0.122 1
1 749 . 8 1 1 A 68 68 GLN C C 68 173.320 175.793 -2.473 1
1 750 . 8 1 1 A 68 68 GLN CA C 68 57.610 56.239 1.371 1
1 751 . 8 1 1 A 68 68 GLN CB C 68 29.250 29.173 0.077 1
1 753 . 8 1 1 A 68 68 GLN N N 68 120.570 122.970 -2.400 1
1 755 . 8 1 1 A 69 69 ALA H H 69 8.920 8.328 0.592 1
1 756 . 8 1 1 A 69 69 ALA HA H 69 4.370 4.466 -0.096 1
1 760 . 8 1 1 A 69 69 ALA C C 69 174.630 177.487 -2.857 1
1 761 . 8 1 1 A 69 69 ALA CA C 69 52.080 52.790 -0.710 1
1 762 . 8 1 1 A 69 69 ALA CB C 69 19.750 19.796 -0.046 1
1 763 . 8 1 1 A 69 69 ALA N N 69 128.720 129.549 -0.829 1
1 764 . 8 1 1 A 70 70 GLY H H 70 8.330 8.380 -0.050 1
1 765 . 8 1 1 A 70 70 GLY HA2 H 70 4.000 4.035 -0.035 1
1 766 . 8 1 1 A 70 70 GLY HA3 H 70 4.000 4.035 -0.035 1
1 767 . 8 1 1 A 70 70 GLY C C 70 171.580 173.727 -2.147 1
1 768 . 8 1 1 A 70 70 GLY CA C 70 45.200 45.050 0.150 1
1 769 . 8 1 1 A 70 70 GLY N N 70 108.440 107.094 1.346 1
1 770 . 8 1 1 A 71 71 GLY H H 71 8.330 8.618 -0.288 1
1 771 . 8 1 1 A 71 71 GLY HA2 H 71 3.940 4.037 -0.097 1
1 772 . 8 1 1 A 71 71 GLY HA3 H 71 3.940 4.039 -0.099 1
1 773 . 8 1 1 A 71 71 GLY C C 71 171.150 173.219 -2.069 1
1 774 . 8 1 1 A 71 71 GLY CA C 71 45.170 45.148 0.022 1
1 775 . 8 1 1 A 71 71 GLY N N 71 108.430 108.585 -0.155 1
1 776 . 8 1 1 A 72 72 ARG H H 72 8.210 8.519 -0.309 1
1 777 . 8 1 1 A 72 72 ARG HA H 72 4.340 4.954 -0.614 1
1 784 . 8 1 1 A 72 72 ARG C C 72 173.350 174.323 -0.973 1
1 785 . 8 1 1 A 72 72 ARG CA C 72 55.700 54.923 0.777 1
1 786 . 8 1 1 A 72 72 ARG CB C 72 30.900 32.689 -1.789 1
1 789 . 8 1 1 A 72 72 ARG N N 72 120.590 122.731 -2.141 1
1 790 . 8 1 1 A 73 73 ARG H H 73 8.450 9.075 -0.625 1
1 791 . 8 1 1 A 73 73 ARG HA H 73 4.350 4.951 -0.601 1
1 798 . 8 1 1 A 73 73 ARG C C 73 173.200 174.792 -1.592 1
1 799 . 8 1 1 A 73 73 ARG CA C 73 55.560 54.804 0.756 1
1 800 . 8 1 1 A 73 73 ARG CB C 73 30.690 31.887 -1.197 1
1 803 . 8 1 1 A 73 73 ARG N N 73 123.800 127.861 -4.061 1
1 804 . 8 1 1 A 74 74 ILE H H 74 8.360 8.854 -0.494 1
1 805 . 8 1 1 A 74 74 ILE HA H 74 4.160 5.111 -0.951 1
1 815 . 8 1 1 A 74 74 ILE C C 74 173.230 174.648 -1.418 1
1 816 . 8 1 1 A 74 74 ILE CA C 74 61.030 58.955 2.075 1
1 817 . 8 1 1 A 74 74 ILE CB C 74 38.920 42.002 -3.082 1
1 821 . 8 1 1 A 74 74 ILE N N 74 123.330 123.253 0.077 1
1 822 . 8 1 1 A 75 75 SER H H 75 8.340 8.688 -0.348 1
1 823 . 8 1 1 A 75 75 SER HA H 75 4.450 4.689 -0.239 1
1 826 . 8 1 1 A 75 75 SER C C 75 171.620 172.716 -1.096 1
1 827 . 8 1 1 A 75 75 SER CA C 75 57.890 58.004 -0.114 1
1 828 . 8 1 1 A 75 75 SER CB C 75 64.000 61.431 2.569 1
1 829 . 8 1 1 A 75 75 SER N N 75 119.950 119.757 0.193 1
1 830 . 8 1 1 A 76 76 LEU H H 76 8.400 8.588 -0.188 1
1 831 . 8 1 1 A 76 76 LEU HA H 76 4.300 4.772 -0.472 1
1 840 . 8 1 1 A 76 76 LEU C C 76 173.730 175.410 -1.680 1
1 841 . 8 1 1 A 76 76 LEU CA C 76 55.510 54.089 1.421 1
1 842 . 8 1 1 A 76 76 LEU CB C 76 42.290 42.860 -0.570 1
1 845 . 8 1 1 A 76 76 LEU N N 76 124.860 127.876 -3.016 1
1 846 . 8 1 1 A 77 77 ASP H H 77 8.240 8.262 -0.022 1
1 847 . 8 1 1 A 77 77 ASP HA H 77 4.530 4.989 -0.459 1
1 850 . 8 1 1 A 77 77 ASP C C 77 173.190 174.170 -0.980 1
1 851 . 8 1 1 A 77 77 ASP CA C 77 54.540 54.339 0.201 1
1 852 . 8 1 1 A 77 77 ASP CB C 77 41.250 42.267 -1.017 1
1 853 . 8 1 1 A 77 77 ASP N N 77 119.920 124.832 -4.912 1
1 854 . 8 1 1 A 78 78 GLN H H 78 8.120 8.921 -0.801 1
1 855 . 8 1 1 A 78 78 GLN HA H 78 4.310 5.127 -0.817 1
1 862 . 8 1 1 A 78 78 GLN C C 78 171.810 174.078 -2.268 1
1 863 . 8 1 1 A 78 78 GLN CA C 78 55.450 54.374 1.076 1
1 864 . 8 1 1 A 78 78 GLN CB C 78 29.920 30.202 -0.282 1
1 866 . 8 1 1 A 78 78 GLN N N 78 120.080 122.969 -2.889 1
1 334 . 9 1 1 A 34 34 MET HA H 34 4.620 4.599 0.021 1
1 342 . 9 1 1 A 34 34 MET C C 34 172.400 175.338 -2.938 1
1 343 . 9 1 1 A 34 34 MET CA C 34 55.830 55.084 0.746 1
1 344 . 9 1 1 A 34 34 MET CB C 34 34.150 32.337 1.813 1
1 347 . 9 1 1 A 35 35 THR H H 35 8.280 8.562 -0.282 1
1 348 . 9 1 1 A 35 35 THR HA H 35 5.030 5.528 -0.498 1
1 353 . 9 1 1 A 35 35 THR C C 35 171.200 174.211 -3.011 1
1 354 . 9 1 1 A 35 35 THR CA C 35 60.370 60.691 -0.321 1
1 355 . 9 1 1 A 35 35 THR CB C 35 71.110 70.403 0.707 1
1 357 . 9 1 1 A 35 35 THR N N 35 116.750 117.770 -1.020 1
1 358 . 9 1 1 A 36 36 VAL H H 36 9.240 9.326 -0.086 1
1 359 . 9 1 1 A 36 36 VAL HA H 36 4.560 4.914 -0.354 1
1 367 . 9 1 1 A 36 36 VAL C C 36 170.520 173.885 -3.365 1
1 368 . 9 1 1 A 36 36 VAL CA C 36 59.740 59.258 0.482 1
1 369 . 9 1 1 A 36 36 VAL CB C 36 36.040 34.530 1.510 1
1 372 . 9 1 1 A 36 36 VAL N N 36 117.880 120.724 -2.844 1
1 373 . 9 1 1 A 37 37 ASP H H 37 8.330 8.824 -0.494 1
1 374 . 9 1 1 A 37 37 ASP HA H 37 5.470 5.243 0.227 1
1 377 . 9 1 1 A 37 37 ASP C C 37 173.810 175.702 -1.892 1
1 378 . 9 1 1 A 37 37 ASP CA C 37 53.140 53.505 -0.365 1
1 379 . 9 1 1 A 37 37 ASP CB C 37 40.960 42.461 -1.501 1
1 380 . 9 1 1 A 37 37 ASP N N 37 123.580 124.142 -0.562 1
1 381 . 9 1 1 A 38 38 ILE H H 38 9.310 9.085 0.225 1
1 382 . 9 1 1 A 38 38 ILE HA H 38 5.060 4.977 0.083 1
1 392 . 9 1 1 A 38 38 ILE C C 38 171.700 173.991 -2.291 1
1 393 . 9 1 1 A 38 38 ILE CA C 38 59.260 59.036 0.224 1
1 394 . 9 1 1 A 38 38 ILE CB C 38 43.150 40.984 2.166 1
1 398 . 9 1 1 A 38 38 ILE N N 38 116.250 121.144 -4.894 1
1 399 . 9 1 1 A 39 39 LEU H H 39 8.840 9.065 -0.225 1
1 400 . 9 1 1 A 39 39 LEU HA H 39 4.830 5.228 -0.398 1
1 410 . 9 1 1 A 39 39 LEU C C 39 172.350 176.227 -3.877 1
1 411 . 9 1 1 A 39 39 LEU CA C 39 53.060 53.679 -0.619 1
1 412 . 9 1 1 A 39 39 LEU CB C 39 45.380 45.447 -0.067 1
1 416 . 9 1 1 A 39 39 LEU N N 39 121.570 125.011 -3.441 1
1 417 . 9 1 1 A 40 40 CYS H H 40 8.460 8.689 -0.229 1
1 418 . 9 1 1 A 40 40 CYS HA H 40 4.390 4.479 -0.089 1
1 421 . 9 1 1 A 40 40 CYS C C 40 174.410 175.406 -0.996 1
1 422 . 9 1 1 A 40 40 CYS CA C 40 58.530 59.599 -1.069 1
1 423 . 9 1 1 A 40 40 CYS CB C 40 33.410 28.078 5.332 1
1 424 . 9 1 1 A 40 40 CYS N N 40 127.490 125.021 2.469 1
1 425 . 9 1 1 A 41 41 ASN H H 41 9.280 9.290 -0.010 1
1 426 . 9 1 1 A 41 41 ASN HA H 41 4.620 4.711 -0.091 1
1 431 . 9 1 1 A 41 41 ASN C C 41 172.280 176.178 -3.898 1
1 432 . 9 1 1 A 41 41 ASN CA C 41 54.860 54.753 0.107 1
1 433 . 9 1 1 A 41 41 ASN CB C 41 38.710 39.290 -0.580 1
1 434 . 9 1 1 A 41 41 ASN N N 41 126.320 125.804 0.516 1
1 436 . 9 1 1 A 42 42 ASP H H 42 9.360 8.104 1.256 1
1 437 . 9 1 1 A 42 42 ASP HA H 42 4.940 4.777 0.163 1
1 440 . 9 1 1 A 42 42 ASP C C 42 174.400 177.472 -3.072 1
1 441 . 9 1 1 A 42 42 ASP CA C 42 56.650 55.686 0.964 1
1 442 . 9 1 1 A 42 42 ASP CB C 42 41.910 41.905 0.005 1
1 443 . 9 1 1 A 42 42 ASP N N 42 123.070 117.266 5.804 1
1 444 . 9 1 1 A 43 43 CYS H H 43 9.260 7.871 1.389 1
1 445 . 9 1 1 A 43 43 CYS HA H 43 4.940 4.401 0.539 1
1 448 . 9 1 1 A 43 43 CYS C C 43 174.140 174.967 -0.827 1
1 449 . 9 1 1 A 43 43 CYS CA C 43 58.590 58.516 0.074 1
1 450 . 9 1 1 A 43 43 CYS CB C 43 31.960 27.466 4.494 1
1 451 . 9 1 1 A 43 43 CYS N N 43 121.590 115.103 6.487 1
1 452 . 9 1 1 A 44 44 ASN H H 44 7.650 8.120 -0.470 1
1 453 . 9 1 1 A 44 44 ASN HA H 44 4.770 4.366 0.404 1
1 458 . 9 1 1 A 44 44 ASN C C 44 171.350 174.281 -2.931 1
1 459 . 9 1 1 A 44 44 ASN CA C 44 55.450 53.811 1.639 1
1 460 . 9 1 1 A 44 44 ASN CB C 44 37.970 37.212 0.758 1
1 461 . 9 1 1 A 44 44 ASN N N 44 118.000 118.834 -0.834 1
1 463 . 9 1 1 A 45 45 GLY H H 45 9.220 7.788 1.432 1
1 464 . 9 1 1 A 45 45 GLY HA2 H 45 4.210 4.111 0.099 1
1 465 . 9 1 1 A 45 45 GLY HA3 H 45 3.510 4.113 -0.603 1
1 466 . 9 1 1 A 45 45 GLY C C 45 170.730 172.302 -1.572 1
1 467 . 9 1 1 A 45 45 GLY CA C 45 44.130 45.844 -1.714 1
1 468 . 9 1 1 A 45 45 GLY N N 45 111.320 109.271 2.049 1
1 469 . 9 1 1 A 46 46 ARG H H 46 8.600 8.765 -0.165 1
1 470 . 9 1 1 A 46 46 ARG HA H 46 5.420 5.529 -0.109 1
1 477 . 9 1 1 A 46 46 ARG C C 46 172.900 175.008 -2.108 1
1 478 . 9 1 1 A 46 46 ARG CA C 46 54.460 55.435 -0.975 1
1 479 . 9 1 1 A 46 46 ARG CB C 46 32.270 32.126 0.144 1
1 482 . 9 1 1 A 46 46 ARG N N 46 124.920 120.373 4.547 1
1 483 . 9 1 1 A 47 47 SER H H 47 8.350 8.582 -0.232 1
1 484 . 9 1 1 A 47 47 SER HA H 47 4.790 4.940 -0.150 1
1 487 . 9 1 1 A 47 47 SER C C 47 170.830 172.910 -2.080 1
1 488 . 9 1 1 A 47 47 SER CA C 47 57.720 57.606 0.114 1
1 489 . 9 1 1 A 47 47 SER CB C 47 66.390 66.194 0.196 1
1 490 . 9 1 1 A 47 47 SER N N 47 115.750 116.773 -1.023 1
1 491 . 9 1 1 A 48 48 THR H H 48 8.570 8.762 -0.192 1
1 492 . 9 1 1 A 48 48 THR HA H 48 5.210 5.036 0.174 1
1 497 . 9 1 1 A 48 48 THR C C 48 171.920 173.931 -2.011 1
1 498 . 9 1 1 A 48 48 THR CA C 48 62.350 61.947 0.403 1
1 499 . 9 1 1 A 48 48 THR CB C 48 70.320 69.312 1.008 1
1 501 . 9 1 1 A 48 48 THR N N 48 120.420 121.952 -1.532 1
1 502 . 9 1 1 A 49 49 VAL H H 49 9.020 8.656 0.364 1
1 503 . 9 1 1 A 49 49 VAL HA H 49 4.800 5.011 -0.211 1
1 511 . 9 1 1 A 49 49 VAL C C 49 171.700 174.050 -2.350 1
1 512 . 9 1 1 A 49 49 VAL CA C 49 58.540 58.860 -0.320 1
1 513 . 9 1 1 A 49 49 VAL CB C 49 36.420 35.868 0.552 1
1 516 . 9 1 1 A 49 49 VAL N N 49 119.320 119.547 -0.227 1
1 517 . 9 1 1 A 50 50 GLN H H 50 8.320 8.512 -0.192 1
1 518 . 9 1 1 A 50 50 GLN HA H 50 4.450 4.517 -0.067 1
1 525 . 9 1 1 A 50 50 GLN C C 50 173.270 176.063 -2.793 1
1 526 . 9 1 1 A 50 50 GLN CA C 50 55.860 55.722 0.138 1
1 527 . 9 1 1 A 50 50 GLN CB C 50 29.250 29.368 -0.118 1
1 529 . 9 1 1 A 50 50 GLN N N 50 119.390 122.889 -3.499 1
1 531 . 9 1 1 A 51 51 PHE H H 51 8.690 8.462 0.228 1
1 532 . 9 1 1 A 51 51 PHE HA H 51 4.430 4.753 -0.323 1
1 539 . 9 1 1 A 51 51 PHE C C 51 171.970 174.583 -2.613 1
1 540 . 9 1 1 A 51 51 PHE CA C 51 58.850 59.442 -0.592 1
1 541 . 9 1 1 A 51 51 PHE CB C 51 40.100 39.816 0.284 1
1 546 . 9 1 1 A 51 51 PHE N N 51 125.010 127.063 -2.053 1
1 547 . 9 1 1 A 52 52 HIS H H 52 6.480 8.064 -1.584 1
1 548 . 9 1 1 A 52 52 HIS HA H 52 4.100 4.881 -0.781 1
1 553 . 9 1 1 A 52 52 HIS CA C 52 57.230 54.931 2.299 1
1 554 . 9 1 1 A 52 52 HIS CB C 52 34.130 32.589 1.541 1
1 557 . 9 1 1 A 52 52 HIS N N 52 126.100 126.482 -0.382 1
1 558 . 9 1 1 A 53 53 ILE HA H 53 3.760 3.459 0.301 1
1 568 . 9 1 1 A 53 53 ILE CA C 53 62.780 64.038 -1.258 1
1 569 . 9 1 1 A 53 53 ILE CB C 53 38.920 37.216 1.704 1
1 573 . 9 1 1 A 54 54 LEU HA H 54 4.370 4.191 0.179 1
1 583 . 9 1 1 A 54 54 LEU C C 54 174.460 176.282 -1.822 1
1 584 . 9 1 1 A 54 54 LEU CA C 54 55.430 54.609 0.821 1
1 585 . 9 1 1 A 54 54 LEU CB C 54 41.760 42.119 -0.359 1
1 589 . 9 1 1 A 55 55 GLY H H 55 7.100 7.162 -0.062 1
1 590 . 9 1 1 A 55 55 GLY HA2 H 55 4.280 4.096 0.184 1
1 591 . 9 1 1 A 55 55 GLY HA3 H 55 3.760 4.176 -0.416 1
1 592 . 9 1 1 A 55 55 GLY C C 55 182.880 173.311 9.569 1
1 593 . 9 1 1 A 55 55 GLY CA C 55 45.070 44.627 0.443 1
1 594 . 9 1 1 A 55 55 GLY N N 55 106.000 107.049 -1.049 1
1 595 . 9 1 1 A 56 56 MET H H 56 8.650 8.625 0.025 1
1 596 . 9 1 1 A 56 56 MET HA H 56 4.500 4.582 -0.082 1
1 604 . 9 1 1 A 56 56 MET C C 56 170.320 175.881 -5.561 1
1 605 . 9 1 1 A 56 56 MET CA C 56 55.110 55.884 -0.774 1
1 606 . 9 1 1 A 56 56 MET CB C 56 35.270 33.135 2.135 1
1 609 . 9 1 1 A 56 56 MET N N 56 120.630 122.399 -1.769 1
1 610 . 9 1 1 A 57 57 LYS H H 57 7.850 8.650 -0.800 1
1 611 . 9 1 1 A 57 57 LYS HA H 57 3.520 4.681 -1.161 1
1 620 . 9 1 1 A 57 57 LYS C C 57 172.230 175.933 -3.703 1
1 621 . 9 1 1 A 57 57 LYS CA C 57 54.850 55.809 -0.959 1
1 622 . 9 1 1 A 57 57 LYS CB C 57 33.420 33.319 0.101 1
1 626 . 9 1 1 A 57 57 LYS N N 57 125.140 124.430 0.710 1
1 627 . 9 1 1 A 58 58 CYS H H 58 8.680 8.558 0.122 1
1 628 . 9 1 1 A 58 58 CYS HA H 58 3.630 4.470 -0.840 1
1 631 . 9 1 1 A 58 58 CYS C C 58 175.080 176.130 -1.050 1
1 632 . 9 1 1 A 58 58 CYS CA C 58 60.100 59.930 0.170 1
1 633 . 9 1 1 A 58 58 CYS CB C 58 30.620 28.437 2.183 1
1 634 . 9 1 1 A 58 58 CYS N N 58 126.470 125.861 0.609 1
1 635 . 9 1 1 A 59 59 LYS H H 59 7.450 8.686 -1.236 1
1 636 . 9 1 1 A 59 59 LYS HA H 59 4.020 4.742 -0.722 1
1 645 . 9 1 1 A 59 59 LYS C C 59 173.460 177.497 -4.037 1
1 646 . 9 1 1 A 59 59 LYS CA C 59 57.850 57.230 0.620 1
1 647 . 9 1 1 A 59 59 LYS CB C 59 33.080 32.417 0.663 1
1 651 . 9 1 1 A 59 59 LYS N N 59 128.510 128.061 0.449 1
1 652 . 9 1 1 A 60 60 ILE H H 60 9.120 7.331 1.789 1
1 653 . 9 1 1 A 60 60 ILE HA H 60 3.840 3.978 -0.138 1
1 663 . 9 1 1 A 60 60 ILE C C 60 174.920 177.619 -2.699 1
1 664 . 9 1 1 A 60 60 ILE CA C 60 63.990 63.156 0.834 1
1 665 . 9 1 1 A 60 60 ILE CB C 60 38.510 38.844 -0.334 1
1 669 . 9 1 1 A 60 60 ILE N N 60 122.830 118.287 4.543 1
1 670 . 9 1 1 A 61 61 CYS H H 61 8.900 7.781 1.119 1
1 671 . 9 1 1 A 61 61 CYS HA H 61 4.960 4.550 0.410 1
1 674 . 9 1 1 A 61 61 CYS C C 61 173.530 175.420 -1.890 1
1 675 . 9 1 1 A 61 61 CYS CA C 61 58.750 58.261 0.489 1
1 676 . 9 1 1 A 61 61 CYS CB C 61 32.740 29.763 2.977 1
1 677 . 9 1 1 A 61 61 CYS N N 61 120.650 116.133 4.517 1
1 678 . 9 1 1 A 62 62 GLU H H 62 7.240 8.054 -0.814 1
1 679 . 9 1 1 A 62 62 GLU HA H 62 3.830 4.098 -0.268 1
1 684 . 9 1 1 A 62 62 GLU C C 62 170.720 174.184 -3.464 1
1 685 . 9 1 1 A 62 62 GLU CA C 62 58.960 57.583 1.377 1
1 686 . 9 1 1 A 62 62 GLU CB C 62 26.790 26.973 -0.183 1
1 688 . 9 1 1 A 62 62 GLU N N 62 114.650 116.584 -1.934 1
1 689 . 9 1 1 A 63 63 SER H H 63 8.130 7.647 0.483 1
1 690 . 9 1 1 A 63 63 SER HA H 63 4.390 4.661 -0.271 1
1 693 . 9 1 1 A 63 63 SER CA C 63 58.130 56.230 1.900 1
1 694 . 9 1 1 A 63 63 SER CB C 63 64.180 64.930 -0.750 1
1 695 . 9 1 1 A 63 63 SER N N 63 114.690 114.152 0.538 1
1 696 . 9 1 1 A 64 64 TYR HA H 64 4.610 5.013 -0.403 1
1 703 . 9 1 1 A 64 64 TYR C C 64 174.140 175.956 -1.816 1
1 704 . 9 1 1 A 64 64 TYR CA C 64 59.030 57.832 1.198 1
1 705 . 9 1 1 A 64 64 TYR CB C 64 38.350 38.697 -0.347 1
1 710 . 9 1 1 A 65 65 ASN H H 65 9.410 7.076 2.334 1
1 711 . 9 1 1 A 65 65 ASN HA H 65 5.010 4.749 0.261 1
1 716 . 9 1 1 A 65 65 ASN C C 65 170.800 173.883 -3.083 1
1 717 . 9 1 1 A 65 65 ASN CA C 65 51.730 52.361 -0.631 1
1 718 . 9 1 1 A 65 65 ASN CB C 65 35.880 37.335 -1.455 1
1 719 . 9 1 1 A 65 65 ASN N N 65 124.590 120.134 4.456 1
1 721 . 9 1 1 A 66 66 THR H H 66 8.040 8.301 -0.261 1
1 722 . 9 1 1 A 66 66 THR HA H 66 4.960 5.084 -0.124 1
1 727 . 9 1 1 A 66 66 THR C C 66 169.060 172.653 -3.593 1
1 728 . 9 1 1 A 66 66 THR CA C 66 58.650 60.495 -1.845 1
1 729 . 9 1 1 A 66 66 THR CB C 66 72.830 71.983 0.847 1
1 731 . 9 1 1 A 66 66 THR N N 66 110.130 115.931 -5.801 1
1 732 . 9 1 1 A 67 67 ALA H H 67 8.560 9.065 -0.505 1
1 733 . 9 1 1 A 67 67 ALA HA H 67 4.690 5.232 -0.542 1
1 737 . 9 1 1 A 67 67 ALA C C 67 173.640 176.492 -2.852 1
1 738 . 9 1 1 A 67 67 ALA CA C 67 51.070 50.099 0.971 1
1 739 . 9 1 1 A 67 67 ALA CB C 67 22.560 21.656 0.904 1
1 740 . 9 1 1 A 67 67 ALA N N 67 120.400 124.804 -4.404 1
1 741 . 9 1 1 A 68 68 GLN H H 68 8.910 8.639 0.271 1
1 742 . 9 1 1 A 68 68 GLN HA H 68 4.380 4.231 0.149 1
1 749 . 9 1 1 A 68 68 GLN C C 68 173.320 175.587 -2.267 1
1 750 . 9 1 1 A 68 68 GLN CA C 68 57.610 56.821 0.789 1
1 751 . 9 1 1 A 68 68 GLN CB C 68 29.250 29.110 0.140 1
1 753 . 9 1 1 A 68 68 GLN N N 68 120.570 123.580 -3.010 1
1 755 . 9 1 1 A 69 69 ALA H H 69 8.920 8.343 0.577 1
1 756 . 9 1 1 A 69 69 ALA HA H 69 4.370 4.322 0.048 1
1 760 . 9 1 1 A 69 69 ALA C C 69 174.630 177.350 -2.720 1
1 761 . 9 1 1 A 69 69 ALA CA C 69 52.080 53.259 -1.179 1
1 762 . 9 1 1 A 69 69 ALA CB C 69 19.750 18.859 0.891 1
1 763 . 9 1 1 A 69 69 ALA N N 69 128.720 128.424 0.296 1
1 764 . 9 1 1 A 70 70 GLY H H 70 8.330 8.526 -0.196 1
1 765 . 9 1 1 A 70 70 GLY HA2 H 70 4.000 4.237 -0.237 1
1 766 . 9 1 1 A 70 70 GLY HA3 H 70 4.000 4.239 -0.239 1
1 767 . 9 1 1 A 70 70 GLY C C 70 171.580 173.596 -2.016 1
1 768 . 9 1 1 A 70 70 GLY CA C 70 45.200 45.935 -0.735 1
1 769 . 9 1 1 A 70 70 GLY N N 70 108.440 109.885 -1.445 1
1 770 . 9 1 1 A 71 71 GLY H H 71 8.330 8.809 -0.479 1
1 771 . 9 1 1 A 71 71 GLY HA2 H 71 3.940 4.024 -0.084 1
1 772 . 9 1 1 A 71 71 GLY HA3 H 71 3.940 4.027 -0.087 1
1 773 . 9 1 1 A 71 71 GLY C C 71 171.150 174.370 -3.220 1
1 774 . 9 1 1 A 71 71 GLY CA C 71 45.170 45.103 0.067 1
1 775 . 9 1 1 A 71 71 GLY N N 71 108.430 111.946 -3.516 1
1 776 . 9 1 1 A 72 72 ARG H H 72 8.210 7.831 0.379 1
1 777 . 9 1 1 A 72 72 ARG HA H 72 4.340 4.627 -0.287 1
1 784 . 9 1 1 A 72 72 ARG C C 72 173.350 174.648 -1.298 1
1 785 . 9 1 1 A 72 72 ARG CA C 72 55.700 54.957 0.743 1
1 786 . 9 1 1 A 72 72 ARG CB C 72 30.900 32.135 -1.235 1
1 789 . 9 1 1 A 72 72 ARG N N 72 120.590 120.661 -0.071 1
1 790 . 9 1 1 A 73 73 ARG H H 73 8.450 8.702 -0.252 1
1 791 . 9 1 1 A 73 73 ARG HA H 73 4.350 4.891 -0.541 1
1 798 . 9 1 1 A 73 73 ARG C C 73 173.200 174.475 -1.275 1
1 799 . 9 1 1 A 73 73 ARG CA C 73 55.560 54.625 0.935 1
1 800 . 9 1 1 A 73 73 ARG CB C 73 30.690 32.443 -1.753 1
1 803 . 9 1 1 A 73 73 ARG N N 73 123.800 123.594 0.206 1
1 804 . 9 1 1 A 74 74 ILE H H 74 8.360 8.803 -0.443 1
1 805 . 9 1 1 A 74 74 ILE HA H 74 4.160 4.524 -0.364 1
1 815 . 9 1 1 A 74 74 ILE C C 74 173.230 174.452 -1.222 1
1 816 . 9 1 1 A 74 74 ILE CA C 74 61.030 60.575 0.455 1
1 817 . 9 1 1 A 74 74 ILE CB C 74 38.920 38.887 0.033 1
1 821 . 9 1 1 A 74 74 ILE N N 74 123.330 128.093 -4.763 1
1 822 . 9 1 1 A 75 75 SER H H 75 8.340 9.008 -0.668 1
1 823 . 9 1 1 A 75 75 SER HA H 75 4.450 4.670 -0.220 1
1 826 . 9 1 1 A 75 75 SER C C 75 171.620 173.108 -1.488 1
1 827 . 9 1 1 A 75 75 SER CA C 75 57.890 57.946 -0.056 1
1 828 . 9 1 1 A 75 75 SER CB C 75 64.000 61.475 2.525 1
1 829 . 9 1 1 A 75 75 SER N N 75 119.950 126.857 -6.907 1
1 830 . 9 1 1 A 76 76 LEU H H 76 8.400 8.415 -0.015 1
1 831 . 9 1 1 A 76 76 LEU HA H 76 4.300 4.643 -0.343 1
1 840 . 9 1 1 A 76 76 LEU C C 76 173.730 175.585 -1.855 1
1 841 . 9 1 1 A 76 76 LEU CA C 76 55.510 54.736 0.774 1
1 842 . 9 1 1 A 76 76 LEU CB C 76 42.290 42.649 -0.359 1
1 845 . 9 1 1 A 76 76 LEU N N 76 124.860 127.046 -2.186 1
1 846 . 9 1 1 A 77 77 ASP H H 77 8.240 8.880 -0.640 1
1 847 . 9 1 1 A 77 77 ASP HA H 77 4.530 4.847 -0.317 1
1 850 . 9 1 1 A 77 77 ASP C C 77 173.190 175.064 -1.874 1
1 851 . 9 1 1 A 77 77 ASP CA C 77 54.540 53.620 0.920 1
1 852 . 9 1 1 A 77 77 ASP CB C 77 41.250 41.104 0.146 1
1 853 . 9 1 1 A 77 77 ASP N N 77 119.920 127.993 -8.073 1
1 854 . 9 1 1 A 78 78 GLN H H 78 8.120 8.867 -0.747 1
1 855 . 9 1 1 A 78 78 GLN HA H 78 4.310 4.957 -0.647 1
1 862 . 9 1 1 A 78 78 GLN C C 78 171.810 174.601 -2.791 1
1 863 . 9 1 1 A 78 78 GLN CA C 78 55.450 54.259 1.191 1
1 864 . 9 1 1 A 78 78 GLN CB C 78 29.920 32.309 -2.389 1
1 866 . 9 1 1 A 78 78 GLN N N 78 120.080 126.946 -6.866 1
1 334 . 10 1 1 A 34 34 MET HA H 34 4.620 5.020 -0.400 1
1 342 . 10 1 1 A 34 34 MET C C 34 172.400 175.297 -2.897 1
1 343 . 10 1 1 A 34 34 MET CA C 34 55.830 54.135 1.695 1
1 344 . 10 1 1 A 34 34 MET CB C 34 34.150 33.595 0.555 1
1 347 . 10 1 1 A 35 35 THR H H 35 8.280 8.786 -0.506 1
1 348 . 10 1 1 A 35 35 THR HA H 35 5.030 5.608 -0.578 1
1 353 . 10 1 1 A 35 35 THR C C 35 171.200 174.029 -2.829 1
1 354 . 10 1 1 A 35 35 THR CA C 35 60.370 59.930 0.440 1
1 355 . 10 1 1 A 35 35 THR CB C 35 71.110 71.759 -0.649 1
1 357 . 10 1 1 A 35 35 THR N N 35 116.750 118.074 -1.324 1
1 358 . 10 1 1 A 36 36 VAL H H 36 9.240 9.262 -0.022 1
1 359 . 10 1 1 A 36 36 VAL HA H 36 4.560 5.055 -0.495 1
1 367 . 10 1 1 A 36 36 VAL C C 36 170.520 173.392 -2.872 1
1 368 . 10 1 1 A 36 36 VAL CA C 36 59.740 58.908 0.832 1
1 369 . 10 1 1 A 36 36 VAL CB C 36 36.040 35.884 0.156 1
1 372 . 10 1 1 A 36 36 VAL N N 36 117.880 118.474 -0.594 1
1 373 . 10 1 1 A 37 37 ASP H H 37 8.330 8.861 -0.531 1
1 374 . 10 1 1 A 37 37 ASP HA H 37 5.470 5.348 0.122 1
1 377 . 10 1 1 A 37 37 ASP C C 37 173.810 175.503 -1.693 1
1 378 . 10 1 1 A 37 37 ASP CA C 37 53.140 53.085 0.055 1
1 379 . 10 1 1 A 37 37 ASP CB C 37 40.960 43.397 -2.437 1
1 380 . 10 1 1 A 37 37 ASP N N 37 123.580 122.757 0.823 1
1 381 . 10 1 1 A 38 38 ILE H H 38 9.310 8.960 0.350 1
1 382 . 10 1 1 A 38 38 ILE HA H 38 5.060 4.983 0.077 1
1 392 . 10 1 1 A 38 38 ILE C C 38 171.700 174.217 -2.517 1
1 393 . 10 1 1 A 38 38 ILE CA C 38 59.260 59.255 0.005 1
1 394 . 10 1 1 A 38 38 ILE CB C 38 43.150 41.028 2.122 1
1 398 . 10 1 1 A 38 38 ILE N N 38 116.250 120.474 -4.224 1
1 399 . 10 1 1 A 39 39 LEU H H 39 8.840 9.189 -0.349 1
1 400 . 10 1 1 A 39 39 LEU HA H 39 4.830 5.125 -0.295 1
1 410 . 10 1 1 A 39 39 LEU C C 39 172.350 175.713 -3.363 1
1 411 . 10 1 1 A 39 39 LEU CA C 39 53.060 53.387 -0.327 1
1 412 . 10 1 1 A 39 39 LEU CB C 39 45.380 45.360 0.020 1
1 416 . 10 1 1 A 39 39 LEU N N 39 121.570 127.610 -6.040 1
1 417 . 10 1 1 A 40 40 CYS H H 40 8.460 8.740 -0.280 1
1 418 . 10 1 1 A 40 40 CYS HA H 40 4.390 4.628 -0.238 1
1 421 . 10 1 1 A 40 40 CYS C C 40 174.410 174.295 0.115 1
1 422 . 10 1 1 A 40 40 CYS CA C 40 58.530 59.541 -1.011 1
1 423 . 10 1 1 A 40 40 CYS CB C 40 33.410 27.931 5.479 1
1 424 . 10 1 1 A 40 40 CYS N N 40 127.490 125.506 1.984 1
1 425 . 10 1 1 A 41 41 ASN H H 41 9.280 8.970 0.310 1
1 426 . 10 1 1 A 41 41 ASN HA H 41 4.620 4.621 -0.001 1
1 431 . 10 1 1 A 41 41 ASN C C 41 172.280 176.347 -4.067 1
1 432 . 10 1 1 A 41 41 ASN CA C 41 54.860 54.981 -0.121 1
1 433 . 10 1 1 A 41 41 ASN CB C 41 38.710 38.934 -0.224 1
1 434 . 10 1 1 A 41 41 ASN N N 41 126.320 123.324 2.996 1
1 436 . 10 1 1 A 42 42 ASP H H 42 9.360 8.123 1.237 1
1 437 . 10 1 1 A 42 42 ASP HA H 42 4.940 4.689 0.251 1
1 440 . 10 1 1 A 42 42 ASP C C 42 174.400 177.948 -3.548 1
1 441 . 10 1 1 A 42 42 ASP CA C 42 56.650 56.640 0.010 1
1 442 . 10 1 1 A 42 42 ASP CB C 42 41.910 41.396 0.514 1
1 443 . 10 1 1 A 42 42 ASP N N 42 123.070 116.952 6.118 1
1 444 . 10 1 1 A 43 43 CYS H H 43 9.260 7.800 1.460 1
1 445 . 10 1 1 A 43 43 CYS HA H 43 4.940 4.405 0.535 1
1 448 . 10 1 1 A 43 43 CYS C C 43 174.140 174.368 -0.228 1
1 449 . 10 1 1 A 43 43 CYS CA C 43 58.590 58.825 -0.235 1
1 450 . 10 1 1 A 43 43 CYS CB C 43 31.960 27.720 4.240 1
1 451 . 10 1 1 A 43 43 CYS N N 43 121.590 114.460 7.130 1
1 452 . 10 1 1 A 44 44 ASN H H 44 7.650 8.015 -0.365 1
1 453 . 10 1 1 A 44 44 ASN HA H 44 4.770 4.595 0.175 1
1 458 . 10 1 1 A 44 44 ASN C C 44 171.350 174.137 -2.787 1
1 459 . 10 1 1 A 44 44 ASN CA C 44 55.450 54.620 0.830 1
1 460 . 10 1 1 A 44 44 ASN CB C 44 37.970 36.919 1.051 1
1 461 . 10 1 1 A 44 44 ASN N N 44 118.000 116.175 1.825 1
1 463 . 10 1 1 A 45 45 GLY H H 45 9.220 8.095 1.125 1
1 464 . 10 1 1 A 45 45 GLY HA2 H 45 4.210 4.105 0.105 1
1 465 . 10 1 1 A 45 45 GLY HA3 H 45 3.510 4.106 -0.596 1
1 466 . 10 1 1 A 45 45 GLY C C 45 170.730 173.002 -2.272 1
1 467 . 10 1 1 A 45 45 GLY CA C 45 44.130 44.404 -0.274 1
1 468 . 10 1 1 A 45 45 GLY N N 45 111.320 106.989 4.331 1
1 469 . 10 1 1 A 46 46 ARG H H 46 8.600 8.774 -0.174 1
1 470 . 10 1 1 A 46 46 ARG HA H 46 5.420 5.552 -0.132 1
1 477 . 10 1 1 A 46 46 ARG C C 46 172.900 175.052 -2.152 1
1 478 . 10 1 1 A 46 46 ARG CA C 46 54.460 55.078 -0.618 1
1 479 . 10 1 1 A 46 46 ARG CB C 46 32.270 32.621 -0.351 1
1 482 . 10 1 1 A 46 46 ARG N N 46 124.920 121.167 3.753 1
1 483 . 10 1 1 A 47 47 SER H H 47 8.350 8.572 -0.222 1
1 484 . 10 1 1 A 47 47 SER HA H 47 4.790 4.943 -0.153 1
1 487 . 10 1 1 A 47 47 SER C C 47 170.830 172.731 -1.901 1
1 488 . 10 1 1 A 47 47 SER CA C 47 57.720 57.642 0.078 1
1 489 . 10 1 1 A 47 47 SER CB C 47 66.390 66.070 0.320 1
1 490 . 10 1 1 A 47 47 SER N N 47 115.750 117.019 -1.269 1
1 491 . 10 1 1 A 48 48 THR H H 48 8.570 8.875 -0.305 1
1 492 . 10 1 1 A 48 48 THR HA H 48 5.210 4.885 0.325 1
1 497 . 10 1 1 A 48 48 THR C C 48 171.920 174.263 -2.343 1
1 498 . 10 1 1 A 48 48 THR CA C 48 62.350 62.150 0.200 1
1 499 . 10 1 1 A 48 48 THR CB C 48 70.320 68.761 1.559 1
1 501 . 10 1 1 A 48 48 THR N N 48 120.420 121.823 -1.403 1
1 502 . 10 1 1 A 49 49 VAL H H 49 9.020 8.867 0.153 1
1 503 . 10 1 1 A 49 49 VAL HA H 49 4.800 5.084 -0.284 1
1 511 . 10 1 1 A 49 49 VAL C C 49 171.700 175.090 -3.390 1
1 512 . 10 1 1 A 49 49 VAL CA C 49 58.540 58.936 -0.396 1
1 513 . 10 1 1 A 49 49 VAL CB C 49 36.420 35.566 0.854 1
1 516 . 10 1 1 A 49 49 VAL N N 49 119.320 119.866 -0.546 1
1 517 . 10 1 1 A 50 50 GLN H H 50 8.320 8.313 0.007 1
1 518 . 10 1 1 A 50 50 GLN HA H 50 4.450 4.844 -0.394 1
1 525 . 10 1 1 A 50 50 GLN C C 50 173.270 176.066 -2.796 1
1 526 . 10 1 1 A 50 50 GLN CA C 50 55.860 56.459 -0.599 1
1 527 . 10 1 1 A 50 50 GLN CB C 50 29.250 29.099 0.151 1
1 529 . 10 1 1 A 50 50 GLN N N 50 119.390 120.344 -0.954 1
1 531 . 10 1 1 A 51 51 PHE H H 51 8.690 8.553 0.137 1
1 532 . 10 1 1 A 51 51 PHE HA H 51 4.430 4.660 -0.230 1
1 539 . 10 1 1 A 51 51 PHE C C 51 171.970 174.407 -2.437 1
1 540 . 10 1 1 A 51 51 PHE CA C 51 58.850 57.207 1.643 1
1 541 . 10 1 1 A 51 51 PHE CB C 51 40.100 39.186 0.914 1
1 546 . 10 1 1 A 51 51 PHE N N 51 125.010 123.956 1.054 1
1 547 . 10 1 1 A 52 52 HIS H H 52 6.480 8.244 -1.764 1
1 548 . 10 1 1 A 52 52 HIS HA H 52 4.100 4.579 -0.479 1
1 553 . 10 1 1 A 52 52 HIS CA C 52 57.230 55.006 2.224 1
1 554 . 10 1 1 A 52 52 HIS CB C 52 34.130 30.377 3.753 1
1 557 . 10 1 1 A 52 52 HIS N N 52 126.100 127.506 -1.406 1
1 558 . 10 1 1 A 53 53 ILE HA H 53 3.760 3.054 0.706 1
1 568 . 10 1 1 A 53 53 ILE CA C 53 62.780 63.562 -0.782 1
1 569 . 10 1 1 A 53 53 ILE CB C 53 38.920 37.351 1.569 1
1 573 . 10 1 1 A 54 54 LEU HA H 54 4.370 4.106 0.264 1
1 583 . 10 1 1 A 54 54 LEU C C 54 174.460 175.832 -1.372 1
1 584 . 10 1 1 A 54 54 LEU CA C 54 55.430 54.429 1.001 1
1 585 . 10 1 1 A 54 54 LEU CB C 54 41.760 42.071 -0.311 1
1 589 . 10 1 1 A 55 55 GLY H H 55 7.100 6.710 0.390 1
1 590 . 10 1 1 A 55 55 GLY HA2 H 55 4.280 3.628 0.652 1
1 591 . 10 1 1 A 55 55 GLY HA3 H 55 3.760 3.970 -0.210 1
1 592 . 10 1 1 A 55 55 GLY C C 55 182.880 173.039 9.841 1
1 593 . 10 1 1 A 55 55 GLY CA C 55 45.070 44.807 0.263 1
1 594 . 10 1 1 A 55 55 GLY N N 55 106.000 107.223 -1.223 1
1 595 . 10 1 1 A 56 56 MET H H 56 8.650 8.610 0.040 1
1 596 . 10 1 1 A 56 56 MET HA H 56 4.500 4.623 -0.123 1
1 604 . 10 1 1 A 56 56 MET C C 56 170.320 175.946 -5.626 1
1 605 . 10 1 1 A 56 56 MET CA C 56 55.110 55.737 -0.627 1
1 606 . 10 1 1 A 56 56 MET CB C 56 35.270 32.739 2.531 1
1 609 . 10 1 1 A 56 56 MET N N 56 120.630 123.845 -3.215 1
1 610 . 10 1 1 A 57 57 LYS H H 57 7.850 8.717 -0.867 1
1 611 . 10 1 1 A 57 57 LYS HA H 57 3.520 4.708 -1.188 1
1 620 . 10 1 1 A 57 57 LYS C C 57 172.230 175.926 -3.696 1
1 621 . 10 1 1 A 57 57 LYS CA C 57 54.850 55.755 -0.905 1
1 622 . 10 1 1 A 57 57 LYS CB C 57 33.420 33.270 0.150 1
1 626 . 10 1 1 A 57 57 LYS N N 57 125.140 125.539 -0.399 1
1 627 . 10 1 1 A 58 58 CYS H H 58 8.680 8.439 0.241 1
1 628 . 10 1 1 A 58 58 CYS HA H 58 3.630 4.556 -0.926 1
1 631 . 10 1 1 A 58 58 CYS C C 58 175.080 176.097 -1.017 1
1 632 . 10 1 1 A 58 58 CYS CA C 58 60.100 59.275 0.825 1
1 633 . 10 1 1 A 58 58 CYS CB C 58 30.620 28.097 2.523 1
1 634 . 10 1 1 A 58 58 CYS N N 58 126.470 125.964 0.506 1
1 635 . 10 1 1 A 59 59 LYS H H 59 7.450 9.057 -1.607 1
1 636 . 10 1 1 A 59 59 LYS HA H 59 4.020 4.475 -0.455 1
1 645 . 10 1 1 A 59 59 LYS C C 59 173.460 177.569 -4.109 1
1 646 . 10 1 1 A 59 59 LYS CA C 59 57.850 55.843 2.007 1
1 647 . 10 1 1 A 59 59 LYS CB C 59 33.080 32.465 0.615 1
1 651 . 10 1 1 A 59 59 LYS N N 59 128.510 127.979 0.531 1
1 652 . 10 1 1 A 60 60 ILE H H 60 9.120 7.642 1.478 1
1 653 . 10 1 1 A 60 60 ILE HA H 60 3.840 4.224 -0.384 1
1 663 . 10 1 1 A 60 60 ILE C C 60 174.920 177.530 -2.610 1
1 664 . 10 1 1 A 60 60 ILE CA C 60 63.990 62.672 1.318 1
1 665 . 10 1 1 A 60 60 ILE CB C 60 38.510 40.021 -1.511 1
1 669 . 10 1 1 A 60 60 ILE N N 60 122.830 120.126 2.704 1
1 670 . 10 1 1 A 61 61 CYS H H 61 8.900 7.931 0.969 1
1 671 . 10 1 1 A 61 61 CYS HA H 61 4.960 4.539 0.421 1
1 674 . 10 1 1 A 61 61 CYS C C 61 173.530 175.198 -1.668 1
1 675 . 10 1 1 A 61 61 CYS CA C 61 58.750 58.258 0.492 1
1 676 . 10 1 1 A 61 61 CYS CB C 61 32.740 29.652 3.088 1
1 677 . 10 1 1 A 61 61 CYS N N 61 120.650 115.680 4.970 1
1 678 . 10 1 1 A 62 62 GLU H H 62 7.240 8.012 -0.772 1
1 679 . 10 1 1 A 62 62 GLU HA H 62 3.830 3.964 -0.134 1
1 684 . 10 1 1 A 62 62 GLU C C 62 170.720 173.917 -3.197 1
1 685 . 10 1 1 A 62 62 GLU CA C 62 58.960 57.594 1.366 1
1 686 . 10 1 1 A 62 62 GLU CB C 62 26.790 26.872 -0.082 1
1 688 . 10 1 1 A 62 62 GLU N N 62 114.650 116.494 -1.844 1
1 689 . 10 1 1 A 63 63 SER H H 63 8.130 7.143 0.987 1
1 690 . 10 1 1 A 63 63 SER HA H 63 4.390 4.741 -0.351 1
1 693 . 10 1 1 A 63 63 SER CA C 63 58.130 56.303 1.827 1
1 694 . 10 1 1 A 63 63 SER CB C 63 64.180 64.767 -0.587 1
1 695 . 10 1 1 A 63 63 SER N N 63 114.690 113.701 0.989 1
1 696 . 10 1 1 A 64 64 TYR HA H 64 4.610 5.038 -0.428 1
1 703 . 10 1 1 A 64 64 TYR C C 64 174.140 176.018 -1.878 1
1 704 . 10 1 1 A 64 64 TYR CA C 64 59.030 57.583 1.447 1
1 705 . 10 1 1 A 64 64 TYR CB C 64 38.350 39.205 -0.855 1
1 710 . 10 1 1 A 65 65 ASN H H 65 9.410 7.153 2.257 1
1 711 . 10 1 1 A 65 65 ASN HA H 65 5.010 4.697 0.313 1
1 716 . 10 1 1 A 65 65 ASN C C 65 170.800 173.839 -3.039 1
1 717 . 10 1 1 A 65 65 ASN CA C 65 51.730 52.650 -0.920 1
1 718 . 10 1 1 A 65 65 ASN CB C 65 35.880 37.790 -1.910 1
1 719 . 10 1 1 A 65 65 ASN N N 65 124.590 120.298 4.292 1
1 721 . 10 1 1 A 66 66 THR H H 66 8.040 8.282 -0.242 1
1 722 . 10 1 1 A 66 66 THR HA H 66 4.960 5.140 -0.180 1
1 727 . 10 1 1 A 66 66 THR C C 66 169.060 172.545 -3.485 1
1 728 . 10 1 1 A 66 66 THR CA C 66 58.650 59.909 -1.259 1
1 729 . 10 1 1 A 66 66 THR CB C 66 72.830 72.887 -0.057 1
1 731 . 10 1 1 A 66 66 THR N N 66 110.130 116.578 -6.448 1
1 732 . 10 1 1 A 67 67 ALA H H 67 8.560 8.738 -0.178 1
1 733 . 10 1 1 A 67 67 ALA HA H 67 4.690 5.198 -0.508 1
1 737 . 10 1 1 A 67 67 ALA C C 67 173.640 176.244 -2.604 1
1 738 . 10 1 1 A 67 67 ALA CA C 67 51.070 50.587 0.483 1
1 739 . 10 1 1 A 67 67 ALA CB C 67 22.560 22.657 -0.097 1
1 740 . 10 1 1 A 67 67 ALA N N 67 120.400 122.561 -2.161 1
1 741 . 10 1 1 A 68 68 GLN H H 68 8.910 8.733 0.177 1
1 742 . 10 1 1 A 68 68 GLN HA H 68 4.380 4.576 -0.196 1
1 749 . 10 1 1 A 68 68 GLN C C 68 173.320 175.651 -2.331 1
1 750 . 10 1 1 A 68 68 GLN CA C 68 57.610 56.586 1.024 1
1 751 . 10 1 1 A 68 68 GLN CB C 68 29.250 28.921 0.329 1
1 753 . 10 1 1 A 68 68 GLN N N 68 120.570 122.296 -1.726 1
1 755 . 10 1 1 A 69 69 ALA H H 69 8.920 8.638 0.282 1
1 756 . 10 1 1 A 69 69 ALA HA H 69 4.370 4.533 -0.163 1
1 760 . 10 1 1 A 69 69 ALA C C 69 174.630 176.599 -1.969 1
1 761 . 10 1 1 A 69 69 ALA CA C 69 52.080 51.730 0.350 1
1 762 . 10 1 1 A 69 69 ALA CB C 69 19.750 17.928 1.822 1
1 763 . 10 1 1 A 69 69 ALA N N 69 128.720 127.693 1.027 1
1 764 . 10 1 1 A 70 70 GLY H H 70 8.330 7.971 0.359 1
1 765 . 10 1 1 A 70 70 GLY HA2 H 70 4.000 4.199 -0.199 1
1 766 . 10 1 1 A 70 70 GLY HA3 H 70 4.000 4.199 -0.199 1
1 767 . 10 1 1 A 70 70 GLY C C 70 171.580 174.181 -2.601 1
1 768 . 10 1 1 A 70 70 GLY CA C 70 45.200 45.880 -0.680 1
1 769 . 10 1 1 A 70 70 GLY N N 70 108.440 110.504 -2.064 1
1 770 . 10 1 1 A 71 71 GLY H H 71 8.330 8.967 -0.637 1
1 771 . 10 1 1 A 71 71 GLY HA2 H 71 3.940 4.011 -0.071 1
1 772 . 10 1 1 A 71 71 GLY HA3 H 71 3.940 4.011 -0.071 1
1 773 . 10 1 1 A 71 71 GLY C C 71 171.150 173.803 -2.653 1
1 774 . 10 1 1 A 71 71 GLY CA C 71 45.170 45.600 -0.430 1
1 775 . 10 1 1 A 71 71 GLY N N 71 108.430 114.160 -5.730 1
1 776 . 10 1 1 A 72 72 ARG H H 72 8.210 7.659 0.551 1
1 777 . 10 1 1 A 72 72 ARG HA H 72 4.340 4.453 -0.113 1
1 784 . 10 1 1 A 72 72 ARG C C 72 173.350 174.675 -1.325 1
1 785 . 10 1 1 A 72 72 ARG CA C 72 55.700 54.769 0.931 1
1 786 . 10 1 1 A 72 72 ARG CB C 72 30.900 30.212 0.688 1
1 789 . 10 1 1 A 72 72 ARG N N 72 120.590 121.306 -0.716 1
1 790 . 10 1 1 A 73 73 ARG H H 73 8.450 8.893 -0.443 1
1 791 . 10 1 1 A 73 73 ARG HA H 73 4.350 4.655 -0.305 1
1 798 . 10 1 1 A 73 73 ARG C C 73 173.200 175.853 -2.653 1
1 799 . 10 1 1 A 73 73 ARG CA C 73 55.560 55.674 -0.114 1
1 800 . 10 1 1 A 73 73 ARG CB C 73 30.690 30.762 -0.072 1
1 803 . 10 1 1 A 73 73 ARG N N 73 123.800 125.918 -2.118 1
1 804 . 10 1 1 A 74 74 ILE H H 74 8.360 8.022 0.338 1
1 805 . 10 1 1 A 74 74 ILE HA H 74 4.160 4.853 -0.693 1
1 815 . 10 1 1 A 74 74 ILE C C 74 173.230 176.059 -2.829 1
1 816 . 10 1 1 A 74 74 ILE CA C 74 61.030 59.114 1.916 1
1 817 . 10 1 1 A 74 74 ILE CB C 74 38.920 40.915 -1.995 1
1 821 . 10 1 1 A 74 74 ILE N N 74 123.330 123.599 -0.269 1
1 822 . 10 1 1 A 75 75 SER H H 75 8.340 8.820 -0.480 1
1 823 . 10 1 1 A 75 75 SER HA H 75 4.450 4.456 -0.006 1
1 826 . 10 1 1 A 75 75 SER C C 75 171.620 173.862 -2.242 1
1 827 . 10 1 1 A 75 75 SER CA C 75 57.890 60.078 -2.188 1
1 828 . 10 1 1 A 75 75 SER CB C 75 64.000 63.222 0.778 1
1 829 . 10 1 1 A 75 75 SER N N 75 119.950 116.356 3.594 1
1 830 . 10 1 1 A 76 76 LEU H H 76 8.400 7.794 0.606 1
1 831 . 10 1 1 A 76 76 LEU HA H 76 4.300 4.759 -0.459 1
1 840 . 10 1 1 A 76 76 LEU C C 76 173.730 176.652 -2.922 1
1 841 . 10 1 1 A 76 76 LEU CA C 76 55.510 53.343 2.167 1
1 842 . 10 1 1 A 76 76 LEU CB C 76 42.290 45.165 -2.875 1
1 845 . 10 1 1 A 76 76 LEU N N 76 124.860 120.011 4.849 1
1 846 . 10 1 1 A 77 77 ASP H H 77 8.240 8.899 -0.659 1
1 847 . 10 1 1 A 77 77 ASP HA H 77 4.530 4.300 0.230 1
1 850 . 10 1 1 A 77 77 ASP C C 77 173.190 177.195 -4.005 1
1 851 . 10 1 1 A 77 77 ASP CA C 77 54.540 57.734 -3.194 1
1 852 . 10 1 1 A 77 77 ASP CB C 77 41.250 40.574 0.676 1
1 853 . 10 1 1 A 77 77 ASP N N 77 119.920 122.304 -2.384 1
1 854 . 10 1 1 A 78 78 GLN H H 78 8.120 8.172 -0.052 1
1 855 . 10 1 1 A 78 78 GLN HA H 78 4.310 4.246 0.064 1
1 862 . 10 1 1 A 78 78 GLN C C 78 171.810 176.067 -4.257 1
1 863 . 10 1 1 A 78 78 GLN CA C 78 55.450 55.919 -0.469 1
1 864 . 10 1 1 A 78 78 GLN CB C 78 29.920 28.214 1.706 1
1 866 . 10 1 1 A 78 78 GLN N N 78 120.080 115.087 4.993 1
1 334 . 11 1 1 A 34 34 MET HA H 34 4.620 4.357 0.263 1
1 342 . 11 1 1 A 34 34 MET C C 34 172.400 175.472 -3.072 1
1 343 . 11 1 1 A 34 34 MET CA C 34 55.830 56.249 -0.419 1
1 344 . 11 1 1 A 34 34 MET CB C 34 34.150 33.323 0.827 1
1 347 . 11 1 1 A 35 35 THR H H 35 8.280 8.522 -0.242 1
1 348 . 11 1 1 A 35 35 THR HA H 35 5.030 5.316 -0.286 1
1 353 . 11 1 1 A 35 35 THR C C 35 171.200 174.161 -2.961 1
1 354 . 11 1 1 A 35 35 THR CA C 35 60.370 60.893 -0.523 1
1 355 . 11 1 1 A 35 35 THR CB C 35 71.110 70.166 0.944 1
1 357 . 11 1 1 A 35 35 THR N N 35 116.750 117.872 -1.122 1
1 358 . 11 1 1 A 36 36 VAL H H 36 9.240 9.267 -0.027 1
1 359 . 11 1 1 A 36 36 VAL HA H 36 4.560 4.847 -0.287 1
1 367 . 11 1 1 A 36 36 VAL C C 36 170.520 174.268 -3.748 1
1 368 . 11 1 1 A 36 36 VAL CA C 36 59.740 59.242 0.498 1
1 369 . 11 1 1 A 36 36 VAL CB C 36 36.040 35.571 0.469 1
1 372 . 11 1 1 A 36 36 VAL N N 36 117.880 121.612 -3.732 1
1 373 . 11 1 1 A 37 37 ASP H H 37 8.330 8.810 -0.480 1
1 374 . 11 1 1 A 37 37 ASP HA H 37 5.470 5.410 0.060 1
1 377 . 11 1 1 A 37 37 ASP C C 37 173.810 175.948 -2.138 1
1 378 . 11 1 1 A 37 37 ASP CA C 37 53.140 53.172 -0.032 1
1 379 . 11 1 1 A 37 37 ASP CB C 37 40.960 41.798 -0.838 1
1 380 . 11 1 1 A 37 37 ASP N N 37 123.580 122.515 1.065 1
1 381 . 11 1 1 A 38 38 ILE H H 38 9.310 8.997 0.313 1
1 382 . 11 1 1 A 38 38 ILE HA H 38 5.060 5.035 0.025 1
1 392 . 11 1 1 A 38 38 ILE C C 38 171.700 174.261 -2.561 1
1 393 . 11 1 1 A 38 38 ILE CA C 38 59.260 59.249 0.011 1
1 394 . 11 1 1 A 38 38 ILE CB C 38 43.150 40.821 2.329 1
1 398 . 11 1 1 A 38 38 ILE N N 38 116.250 120.494 -4.244 1
1 399 . 11 1 1 A 39 39 LEU H H 39 8.840 9.247 -0.407 1
1 400 . 11 1 1 A 39 39 LEU HA H 39 4.830 5.094 -0.264 1
1 410 . 11 1 1 A 39 39 LEU C C 39 172.350 175.969 -3.619 1
1 411 . 11 1 1 A 39 39 LEU CA C 39 53.060 53.660 -0.600 1
1 412 . 11 1 1 A 39 39 LEU CB C 39 45.380 44.740 0.640 1
1 416 . 11 1 1 A 39 39 LEU N N 39 121.570 126.942 -5.372 1
1 417 . 11 1 1 A 40 40 CYS H H 40 8.460 8.848 -0.388 1
1 418 . 11 1 1 A 40 40 CYS HA H 40 4.390 4.605 -0.215 1
1 421 . 11 1 1 A 40 40 CYS C C 40 174.410 174.346 0.064 1
1 422 . 11 1 1 A 40 40 CYS CA C 40 58.530 59.593 -1.063 1
1 423 . 11 1 1 A 40 40 CYS CB C 40 33.410 27.402 6.008 1
1 424 . 11 1 1 A 40 40 CYS N N 40 127.490 125.634 1.856 1
1 425 . 11 1 1 A 41 41 ASN H H 41 9.280 9.119 0.161 1
1 426 . 11 1 1 A 41 41 ASN HA H 41 4.620 4.660 -0.040 1
1 431 . 11 1 1 A 41 41 ASN C C 41 172.280 176.173 -3.893 1
1 432 . 11 1 1 A 41 41 ASN CA C 41 54.860 54.691 0.169 1
1 433 . 11 1 1 A 41 41 ASN CB C 41 38.710 38.829 -0.119 1
1 434 . 11 1 1 A 41 41 ASN N N 41 126.320 123.125 3.195 1
1 436 . 11 1 1 A 42 42 ASP H H 42 9.360 7.989 1.371 1
1 437 . 11 1 1 A 42 42 ASP HA H 42 4.940 4.757 0.183 1
1 440 . 11 1 1 A 42 42 ASP C C 42 174.400 177.572 -3.172 1
1 441 . 11 1 1 A 42 42 ASP CA C 42 56.650 56.329 0.321 1
1 442 . 11 1 1 A 42 42 ASP CB C 42 41.910 41.654 0.256 1
1 443 . 11 1 1 A 42 42 ASP N N 42 123.070 117.013 6.057 1
1 444 . 11 1 1 A 43 43 CYS H H 43 9.260 7.825 1.435 1
1 445 . 11 1 1 A 43 43 CYS HA H 43 4.940 4.416 0.524 1
1 448 . 11 1 1 A 43 43 CYS C C 43 174.140 175.012 -0.872 1
1 449 . 11 1 1 A 43 43 CYS CA C 43 58.590 58.623 -0.033 1
1 450 . 11 1 1 A 43 43 CYS CB C 43 31.960 27.523 4.437 1
1 451 . 11 1 1 A 43 43 CYS N N 43 121.590 114.661 6.929 1
1 452 . 11 1 1 A 44 44 ASN H H 44 7.650 8.162 -0.512 1
1 453 . 11 1 1 A 44 44 ASN HA H 44 4.770 4.356 0.414 1
1 458 . 11 1 1 A 44 44 ASN C C 44 171.350 174.213 -2.863 1
1 459 . 11 1 1 A 44 44 ASN CA C 44 55.450 53.910 1.540 1
1 460 . 11 1 1 A 44 44 ASN CB C 44 37.970 37.325 0.645 1
1 461 . 11 1 1 A 44 44 ASN N N 44 118.000 118.665 -0.665 1
1 463 . 11 1 1 A 45 45 GLY H H 45 9.220 7.877 1.343 1
1 464 . 11 1 1 A 45 45 GLY HA2 H 45 4.210 4.100 0.110 1
1 465 . 11 1 1 A 45 45 GLY HA3 H 45 3.510 4.101 -0.591 1
1 466 . 11 1 1 A 45 45 GLY C C 45 170.730 172.252 -1.522 1
1 467 . 11 1 1 A 45 45 GLY CA C 45 44.130 45.797 -1.667 1
1 468 . 11 1 1 A 45 45 GLY N N 45 111.320 109.503 1.817 1
1 469 . 11 1 1 A 46 46 ARG H H 46 8.600 8.872 -0.272 1
1 470 . 11 1 1 A 46 46 ARG HA H 46 5.420 5.589 -0.169 1
1 477 . 11 1 1 A 46 46 ARG C C 46 172.900 175.011 -2.111 1
1 478 . 11 1 1 A 46 46 ARG CA C 46 54.460 54.947 -0.487 1
1 479 . 11 1 1 A 46 46 ARG CB C 46 32.270 32.926 -0.656 1
1 482 . 11 1 1 A 46 46 ARG N N 46 124.920 120.008 4.912 1
1 483 . 11 1 1 A 47 47 SER H H 47 8.350 8.748 -0.398 1
1 484 . 11 1 1 A 47 47 SER HA H 47 4.790 5.033 -0.243 1
1 487 . 11 1 1 A 47 47 SER C C 47 170.830 172.900 -2.070 1
1 488 . 11 1 1 A 47 47 SER CA C 47 57.720 57.680 0.040 1
1 489 . 11 1 1 A 47 47 SER CB C 47 66.390 65.720 0.670 1
1 490 . 11 1 1 A 47 47 SER N N 47 115.750 117.245 -1.495 1
1 491 . 11 1 1 A 48 48 THR H H 48 8.570 8.829 -0.259 1
1 492 . 11 1 1 A 48 48 THR HA H 48 5.210 4.800 0.410 1
1 497 . 11 1 1 A 48 48 THR C C 48 171.920 174.310 -2.390 1
1 498 . 11 1 1 A 48 48 THR CA C 48 62.350 62.548 -0.198 1
1 499 . 11 1 1 A 48 48 THR CB C 48 70.320 68.777 1.543 1
1 501 . 11 1 1 A 48 48 THR N N 48 120.420 122.100 -1.680 1
1 502 . 11 1 1 A 49 49 VAL H H 49 9.020 8.772 0.248 1
1 503 . 11 1 1 A 49 49 VAL HA H 49 4.800 5.003 -0.203 1
1 511 . 11 1 1 A 49 49 VAL C C 49 171.700 174.715 -3.015 1
1 512 . 11 1 1 A 49 49 VAL CA C 49 58.540 58.867 -0.327 1
1 513 . 11 1 1 A 49 49 VAL CB C 49 36.420 35.795 0.625 1
1 516 . 11 1 1 A 49 49 VAL N N 49 119.320 120.107 -0.787 1
1 517 . 11 1 1 A 50 50 GLN H H 50 8.320 8.196 0.124 1
1 518 . 11 1 1 A 50 50 GLN HA H 50 4.450 4.583 -0.133 1
1 525 . 11 1 1 A 50 50 GLN C C 50 173.270 175.521 -2.251 1
1 526 . 11 1 1 A 50 50 GLN CA C 50 55.860 56.120 -0.260 1
1 527 . 11 1 1 A 50 50 GLN CB C 50 29.250 29.069 0.181 1
1 529 . 11 1 1 A 50 50 GLN N N 50 119.390 121.692 -2.302 1
1 531 . 11 1 1 A 51 51 PHE H H 51 8.690 8.824 -0.134 1
1 532 . 11 1 1 A 51 51 PHE HA H 51 4.430 4.672 -0.242 1
1 539 . 11 1 1 A 51 51 PHE C C 51 171.970 174.509 -2.539 1
1 540 . 11 1 1 A 51 51 PHE CA C 51 58.850 58.792 0.058 1
1 541 . 11 1 1 A 51 51 PHE CB C 51 40.100 39.463 0.637 1
1 546 . 11 1 1 A 51 51 PHE N N 51 125.010 123.188 1.822 1
1 547 . 11 1 1 A 52 52 HIS H H 52 6.480 7.957 -1.477 1
1 548 . 11 1 1 A 52 52 HIS HA H 52 4.100 4.951 -0.851 1
1 553 . 11 1 1 A 52 52 HIS CA C 52 57.230 54.528 2.702 1
1 554 . 11 1 1 A 52 52 HIS CB C 52 34.130 32.083 2.047 1
1 557 . 11 1 1 A 52 52 HIS N N 52 126.100 127.030 -0.930 1
1 558 . 11 1 1 A 53 53 ILE HA H 53 3.760 3.415 0.345 1
1 568 . 11 1 1 A 53 53 ILE CA C 53 62.780 64.227 -1.447 1
1 569 . 11 1 1 A 53 53 ILE CB C 53 38.920 37.314 1.606 1
1 573 . 11 1 1 A 54 54 LEU HA H 54 4.370 4.120 0.250 1
1 583 . 11 1 1 A 54 54 LEU C C 54 174.460 176.072 -1.612 1
1 584 . 11 1 1 A 54 54 LEU CA C 54 55.430 54.239 1.191 1
1 585 . 11 1 1 A 54 54 LEU CB C 54 41.760 41.961 -0.201 1
1 589 . 11 1 1 A 55 55 GLY H H 55 7.100 7.218 -0.118 1
1 590 . 11 1 1 A 55 55 GLY HA2 H 55 4.280 4.072 0.208 1
1 591 . 11 1 1 A 55 55 GLY HA3 H 55 3.760 4.080 -0.320 1
1 592 . 11 1 1 A 55 55 GLY C C 55 182.880 173.531 9.349 1
1 593 . 11 1 1 A 55 55 GLY CA C 55 45.070 44.537 0.533 1
1 594 . 11 1 1 A 55 55 GLY N N 55 106.000 106.808 -0.808 1
1 595 . 11 1 1 A 56 56 MET H H 56 8.650 8.649 0.001 1
1 596 . 11 1 1 A 56 56 MET HA H 56 4.500 4.780 -0.280 1
1 604 . 11 1 1 A 56 56 MET C C 56 170.320 175.879 -5.559 1
1 605 . 11 1 1 A 56 56 MET CA C 56 55.110 55.590 -0.480 1
1 606 . 11 1 1 A 56 56 MET CB C 56 35.270 32.990 2.280 1
1 609 . 11 1 1 A 56 56 MET N N 56 120.630 122.253 -1.623 1
1 610 . 11 1 1 A 57 57 LYS H H 57 7.850 8.652 -0.802 1
1 611 . 11 1 1 A 57 57 LYS HA H 57 3.520 4.832 -1.312 1
1 620 . 11 1 1 A 57 57 LYS C C 57 172.230 175.985 -3.755 1
1 621 . 11 1 1 A 57 57 LYS CA C 57 54.850 55.294 -0.444 1
1 622 . 11 1 1 A 57 57 LYS CB C 57 33.420 33.752 -0.332 1
1 626 . 11 1 1 A 57 57 LYS N N 57 125.140 125.359 -0.219 1
1 627 . 11 1 1 A 58 58 CYS H H 58 8.680 8.307 0.373 1
1 628 . 11 1 1 A 58 58 CYS HA H 58 3.630 4.432 -0.802 1
1 631 . 11 1 1 A 58 58 CYS C C 58 175.080 175.630 -0.550 1
1 632 . 11 1 1 A 58 58 CYS CA C 58 60.100 60.208 -0.108 1
1 633 . 11 1 1 A 58 58 CYS CB C 58 30.620 28.544 2.076 1
1 634 . 11 1 1 A 58 58 CYS N N 58 126.470 125.443 1.027 1
1 635 . 11 1 1 A 59 59 LYS H H 59 7.450 8.970 -1.520 1
1 636 . 11 1 1 A 59 59 LYS HA H 59 4.020 4.598 -0.578 1
1 645 . 11 1 1 A 59 59 LYS C C 59 173.460 177.885 -4.425 1
1 646 . 11 1 1 A 59 59 LYS CA C 59 57.850 57.493 0.357 1
1 647 . 11 1 1 A 59 59 LYS CB C 59 33.080 32.304 0.776 1
1 651 . 11 1 1 A 59 59 LYS N N 59 128.510 128.105 0.405 1
1 652 . 11 1 1 A 60 60 ILE H H 60 9.120 7.435 1.685 1
1 653 . 11 1 1 A 60 60 ILE HA H 60 3.840 3.984 -0.144 1
1 663 . 11 1 1 A 60 60 ILE C C 60 174.920 177.508 -2.588 1
1 664 . 11 1 1 A 60 60 ILE CA C 60 63.990 63.903 0.087 1
1 665 . 11 1 1 A 60 60 ILE CB C 60 38.510 38.826 -0.316 1
1 669 . 11 1 1 A 60 60 ILE N N 60 122.830 118.487 4.343 1
1 670 . 11 1 1 A 61 61 CYS H H 61 8.900 7.763 1.137 1
1 671 . 11 1 1 A 61 61 CYS HA H 61 4.960 4.571 0.389 1
1 674 . 11 1 1 A 61 61 CYS C C 61 173.530 175.446 -1.916 1
1 675 . 11 1 1 A 61 61 CYS CA C 61 58.750 58.204 0.546 1
1 676 . 11 1 1 A 61 61 CYS CB C 61 32.740 29.618 3.122 1
1 677 . 11 1 1 A 61 61 CYS N N 61 120.650 115.989 4.661 1
1 678 . 11 1 1 A 62 62 GLU H H 62 7.240 8.078 -0.838 1
1 679 . 11 1 1 A 62 62 GLU HA H 62 3.830 4.150 -0.320 1
1 684 . 11 1 1 A 62 62 GLU C C 62 170.720 174.277 -3.557 1
1 685 . 11 1 1 A 62 62 GLU CA C 62 58.960 57.676 1.284 1
1 686 . 11 1 1 A 62 62 GLU CB C 62 26.790 27.208 -0.418 1
1 688 . 11 1 1 A 62 62 GLU N N 62 114.650 116.399 -1.749 1
1 689 . 11 1 1 A 63 63 SER H H 63 8.130 7.214 0.916 1
1 690 . 11 1 1 A 63 63 SER HA H 63 4.390 4.778 -0.388 1
1 693 . 11 1 1 A 63 63 SER CA C 63 58.130 56.700 1.430 1
1 694 . 11 1 1 A 63 63 SER CB C 63 64.180 64.963 -0.783 1
1 695 . 11 1 1 A 63 63 SER N N 63 114.690 114.323 0.367 1
1 696 . 11 1 1 A 64 64 TYR HA H 64 4.610 4.908 -0.298 1
1 703 . 11 1 1 A 64 64 TYR C C 64 174.140 176.103 -1.963 1
1 704 . 11 1 1 A 64 64 TYR CA C 64 59.030 57.646 1.384 1
1 705 . 11 1 1 A 64 64 TYR CB C 64 38.350 38.910 -0.560 1
1 710 . 11 1 1 A 65 65 ASN H H 65 9.410 7.135 2.275 1
1 711 . 11 1 1 A 65 65 ASN HA H 65 5.010 4.595 0.415 1
1 716 . 11 1 1 A 65 65 ASN C C 65 170.800 173.875 -3.075 1
1 717 . 11 1 1 A 65 65 ASN CA C 65 51.730 52.374 -0.644 1
1 718 . 11 1 1 A 65 65 ASN CB C 65 35.880 37.430 -1.550 1
1 719 . 11 1 1 A 65 65 ASN N N 65 124.590 120.190 4.400 1
1 721 . 11 1 1 A 66 66 THR H H 66 8.040 8.193 -0.153 1
1 722 . 11 1 1 A 66 66 THR HA H 66 4.960 5.163 -0.203 1
1 727 . 11 1 1 A 66 66 THR C C 66 169.060 172.643 -3.583 1
1 728 . 11 1 1 A 66 66 THR CA C 66 58.650 59.784 -1.134 1
1 729 . 11 1 1 A 66 66 THR CB C 66 72.830 72.839 -0.009 1
1 731 . 11 1 1 A 66 66 THR N N 66 110.130 116.258 -6.128 1
1 732 . 11 1 1 A 67 67 ALA H H 67 8.560 9.035 -0.475 1
1 733 . 11 1 1 A 67 67 ALA HA H 67 4.690 5.248 -0.558 1
1 737 . 11 1 1 A 67 67 ALA C C 67 173.640 175.472 -1.832 1
1 738 . 11 1 1 A 67 67 ALA CA C 67 51.070 50.236 0.834 1
1 739 . 11 1 1 A 67 67 ALA CB C 67 22.560 22.994 -0.434 1
1 740 . 11 1 1 A 67 67 ALA N N 67 120.400 123.204 -2.804 1
1 741 . 11 1 1 A 68 68 GLN H H 68 8.910 8.460 0.450 1
1 742 . 11 1 1 A 68 68 GLN HA H 68 4.380 4.477 -0.097 1
1 749 . 11 1 1 A 68 68 GLN C C 68 173.320 175.817 -2.497 1
1 750 . 11 1 1 A 68 68 GLN CA C 68 57.610 56.229 1.381 1
1 751 . 11 1 1 A 68 68 GLN CB C 68 29.250 29.238 0.012 1
1 753 . 11 1 1 A 68 68 GLN N N 68 120.570 122.099 -1.529 1
1 755 . 11 1 1 A 69 69 ALA H H 69 8.920 8.304 0.616 1
1 756 . 11 1 1 A 69 69 ALA HA H 69 4.370 4.635 -0.265 1
1 760 . 11 1 1 A 69 69 ALA C C 69 174.630 177.417 -2.787 1
1 761 . 11 1 1 A 69 69 ALA CA C 69 52.080 51.744 0.336 1
1 762 . 11 1 1 A 69 69 ALA CB C 69 19.750 19.665 0.085 1
1 763 . 11 1 1 A 69 69 ALA N N 69 128.720 129.274 -0.554 1
1 764 . 11 1 1 A 70 70 GLY H H 70 8.330 8.729 -0.399 1
1 765 . 11 1 1 A 70 70 GLY HA2 H 70 4.000 4.274 -0.274 1
1 766 . 11 1 1 A 70 70 GLY HA3 H 70 4.000 4.274 -0.274 1
1 767 . 11 1 1 A 70 70 GLY C C 70 171.580 172.787 -1.207 1
1 768 . 11 1 1 A 70 70 GLY CA C 70 45.200 44.748 0.452 1
1 769 . 11 1 1 A 70 70 GLY N N 70 108.440 109.446 -1.006 1
1 770 . 11 1 1 A 71 71 GLY H H 71 8.330 9.150 -0.820 1
1 771 . 11 1 1 A 71 71 GLY HA2 H 71 3.940 3.902 0.038 1
1 772 . 11 1 1 A 71 71 GLY HA3 H 71 3.940 3.903 0.037 1
1 773 . 11 1 1 A 71 71 GLY C C 71 171.150 173.403 -2.253 1
1 774 . 11 1 1 A 71 71 GLY CA C 71 45.170 47.089 -1.919 1
1 775 . 11 1 1 A 71 71 GLY N N 71 108.430 112.849 -4.419 1
1 776 . 11 1 1 A 72 72 ARG H H 72 8.210 8.288 -0.078 1
1 777 . 11 1 1 A 72 72 ARG HA H 72 4.340 4.652 -0.312 1
1 784 . 11 1 1 A 72 72 ARG C C 72 173.350 174.927 -1.577 1
1 785 . 11 1 1 A 72 72 ARG CA C 72 55.700 55.868 -0.168 1
1 786 . 11 1 1 A 72 72 ARG CB C 72 30.900 31.131 -0.231 1
1 789 . 11 1 1 A 72 72 ARG N N 72 120.590 122.948 -2.358 1
1 790 . 11 1 1 A 73 73 ARG H H 73 8.450 8.841 -0.391 1
1 791 . 11 1 1 A 73 73 ARG HA H 73 4.350 4.630 -0.280 1
1 798 . 11 1 1 A 73 73 ARG C C 73 173.200 174.539 -1.339 1
1 799 . 11 1 1 A 73 73 ARG CA C 73 55.560 55.925 -0.365 1
1 800 . 11 1 1 A 73 73 ARG CB C 73 30.690 30.930 -0.240 1
1 803 . 11 1 1 A 73 73 ARG N N 73 123.800 125.050 -1.250 1
1 804 . 11 1 1 A 74 74 ILE H H 74 8.360 8.701 -0.341 1
1 805 . 11 1 1 A 74 74 ILE HA H 74 4.160 4.491 -0.331 1
1 815 . 11 1 1 A 74 74 ILE C C 74 173.230 175.546 -2.316 1
1 816 . 11 1 1 A 74 74 ILE CA C 74 61.030 60.419 0.611 1
1 817 . 11 1 1 A 74 74 ILE CB C 74 38.920 38.290 0.630 1
1 821 . 11 1 1 A 74 74 ILE N N 74 123.330 128.346 -5.016 1
1 822 . 11 1 1 A 75 75 SER H H 75 8.340 8.814 -0.474 1
1 823 . 11 1 1 A 75 75 SER HA H 75 4.450 4.737 -0.287 1
1 826 . 11 1 1 A 75 75 SER C C 75 171.620 173.097 -1.477 1
1 827 . 11 1 1 A 75 75 SER CA C 75 57.890 58.294 -0.404 1
1 828 . 11 1 1 A 75 75 SER CB C 75 64.000 63.607 0.393 1
1 829 . 11 1 1 A 75 75 SER N N 75 119.950 124.164 -4.214 1
1 830 . 11 1 1 A 76 76 LEU H H 76 8.400 8.718 -0.318 1
1 831 . 11 1 1 A 76 76 LEU HA H 76 4.300 4.567 -0.267 1
1 840 . 11 1 1 A 76 76 LEU C C 76 173.730 175.265 -1.535 1
1 841 . 11 1 1 A 76 76 LEU CA C 76 55.510 54.022 1.488 1
1 842 . 11 1 1 A 76 76 LEU CB C 76 42.290 42.532 -0.242 1
1 845 . 11 1 1 A 76 76 LEU N N 76 124.860 127.665 -2.805 1
1 846 . 11 1 1 A 77 77 ASP H H 77 8.240 8.812 -0.572 1
1 847 . 11 1 1 A 77 77 ASP HA H 77 4.530 4.589 -0.059 1
1 850 . 11 1 1 A 77 77 ASP C C 77 173.190 176.333 -3.143 1
1 851 . 11 1 1 A 77 77 ASP CA C 77 54.540 55.413 -0.873 1
1 852 . 11 1 1 A 77 77 ASP CB C 77 41.250 41.689 -0.439 1
1 853 . 11 1 1 A 77 77 ASP N N 77 119.920 126.661 -6.741 1
1 854 . 11 1 1 A 78 78 GLN H H 78 8.120 8.066 0.054 1
1 855 . 11 1 1 A 78 78 GLN HA H 78 4.310 3.970 0.340 1
1 862 . 11 1 1 A 78 78 GLN C C 78 171.810 175.088 -3.278 1
1 863 . 11 1 1 A 78 78 GLN CA C 78 55.450 56.759 -1.309 1
1 864 . 11 1 1 A 78 78 GLN CB C 78 29.920 27.200 2.720 1
1 866 . 11 1 1 A 78 78 GLN N N 78 120.080 118.002 2.078 1
1 334 . 12 1 1 A 34 34 MET HA H 34 4.620 4.904 -0.284 1
1 342 . 12 1 1 A 34 34 MET C C 34 172.400 174.244 -1.844 1
1 343 . 12 1 1 A 34 34 MET CA C 34 55.830 54.592 1.238 1
1 344 . 12 1 1 A 34 34 MET CB C 34 34.150 36.075 -1.925 1
1 347 . 12 1 1 A 35 35 THR H H 35 8.280 8.749 -0.469 1
1 348 . 12 1 1 A 35 35 THR HA H 35 5.030 5.619 -0.589 1
1 353 . 12 1 1 A 35 35 THR C C 35 171.200 174.253 -3.053 1
1 354 . 12 1 1 A 35 35 THR CA C 35 60.370 60.641 -0.271 1
1 355 . 12 1 1 A 35 35 THR CB C 35 71.110 70.284 0.826 1
1 357 . 12 1 1 A 35 35 THR N N 35 116.750 117.995 -1.245 1
1 358 . 12 1 1 A 36 36 VAL H H 36 9.240 9.283 -0.043 1
1 359 . 12 1 1 A 36 36 VAL HA H 36 4.560 4.901 -0.341 1
1 367 . 12 1 1 A 36 36 VAL C C 36 170.520 173.802 -3.282 1
1 368 . 12 1 1 A 36 36 VAL CA C 36 59.740 59.120 0.620 1
1 369 . 12 1 1 A 36 36 VAL CB C 36 36.040 35.123 0.917 1
1 372 . 12 1 1 A 36 36 VAL N N 36 117.880 121.037 -3.157 1
1 373 . 12 1 1 A 37 37 ASP H H 37 8.330 8.746 -0.416 1
1 374 . 12 1 1 A 37 37 ASP HA H 37 5.470 5.155 0.315 1
1 377 . 12 1 1 A 37 37 ASP C C 37 173.810 175.620 -1.810 1
1 378 . 12 1 1 A 37 37 ASP CA C 37 53.140 53.713 -0.573 1
1 379 . 12 1 1 A 37 37 ASP CB C 37 40.960 42.407 -1.447 1
1 380 . 12 1 1 A 37 37 ASP N N 37 123.580 124.346 -0.766 1
1 381 . 12 1 1 A 38 38 ILE H H 38 9.310 9.009 0.301 1
1 382 . 12 1 1 A 38 38 ILE HA H 38 5.060 5.182 -0.122 1
1 392 . 12 1 1 A 38 38 ILE C C 38 171.700 174.389 -2.689 1
1 393 . 12 1 1 A 38 38 ILE CA C 38 59.260 59.503 -0.243 1
1 394 . 12 1 1 A 38 38 ILE CB C 38 43.150 40.691 2.459 1
1 398 . 12 1 1 A 38 38 ILE N N 38 116.250 121.241 -4.991 1
1 399 . 12 1 1 A 39 39 LEU H H 39 8.840 9.050 -0.210 1
1 400 . 12 1 1 A 39 39 LEU HA H 39 4.830 5.269 -0.439 1
1 410 . 12 1 1 A 39 39 LEU C C 39 172.350 175.869 -3.519 1
1 411 . 12 1 1 A 39 39 LEU CA C 39 53.060 53.354 -0.294 1
1 412 . 12 1 1 A 39 39 LEU CB C 39 45.380 45.449 -0.069 1
1 416 . 12 1 1 A 39 39 LEU N N 39 121.570 127.217 -5.647 1
1 417 . 12 1 1 A 40 40 CYS H H 40 8.460 8.654 -0.194 1
1 418 . 12 1 1 A 40 40 CYS HA H 40 4.390 4.560 -0.170 1
1 421 . 12 1 1 A 40 40 CYS C C 40 174.410 174.636 -0.226 1
1 422 . 12 1 1 A 40 40 CYS CA C 40 58.530 59.579 -1.049 1
1 423 . 12 1 1 A 40 40 CYS CB C 40 33.410 27.830 5.580 1
1 424 . 12 1 1 A 40 40 CYS N N 40 127.490 125.707 1.783 1
1 425 . 12 1 1 A 41 41 ASN H H 41 9.280 8.853 0.427 1
1 426 . 12 1 1 A 41 41 ASN HA H 41 4.620 4.548 0.072 1
1 431 . 12 1 1 A 41 41 ASN C C 41 172.280 176.729 -4.449 1
1 432 . 12 1 1 A 41 41 ASN CA C 41 54.860 55.217 -0.357 1
1 433 . 12 1 1 A 41 41 ASN CB C 41 38.710 38.703 0.007 1
1 434 . 12 1 1 A 41 41 ASN N N 41 126.320 123.289 3.031 1
1 436 . 12 1 1 A 42 42 ASP H H 42 9.360 8.289 1.071 1
1 437 . 12 1 1 A 42 42 ASP HA H 42 4.940 4.601 0.339 1
1 440 . 12 1 1 A 42 42 ASP C C 42 174.400 178.177 -3.777 1
1 441 . 12 1 1 A 42 42 ASP CA C 42 56.650 56.792 -0.142 1
1 442 . 12 1 1 A 42 42 ASP CB C 42 41.910 41.169 0.741 1
1 443 . 12 1 1 A 42 42 ASP N N 42 123.070 117.953 5.117 1
1 444 . 12 1 1 A 43 43 CYS H H 43 9.260 7.881 1.379 1
1 445 . 12 1 1 A 43 43 CYS HA H 43 4.940 4.455 0.485 1
1 448 . 12 1 1 A 43 43 CYS C C 43 174.140 174.424 -0.284 1
1 449 . 12 1 1 A 43 43 CYS CA C 43 58.590 58.937 -0.347 1
1 450 . 12 1 1 A 43 43 CYS CB C 43 31.960 28.605 3.355 1
1 451 . 12 1 1 A 43 43 CYS N N 43 121.590 114.147 7.443 1
1 452 . 12 1 1 A 44 44 ASN H H 44 7.650 7.988 -0.338 1
1 453 . 12 1 1 A 44 44 ASN HA H 44 4.770 4.483 0.287 1
1 458 . 12 1 1 A 44 44 ASN C C 44 171.350 174.085 -2.735 1
1 459 . 12 1 1 A 44 44 ASN CA C 44 55.450 54.643 0.807 1
1 460 . 12 1 1 A 44 44 ASN CB C 44 37.970 36.633 1.337 1
1 461 . 12 1 1 A 44 44 ASN N N 44 118.000 116.168 1.832 1
1 463 . 12 1 1 A 45 45 GLY H H 45 9.220 7.993 1.227 1
1 464 . 12 1 1 A 45 45 GLY HA2 H 45 4.210 4.240 -0.030 1
1 465 . 12 1 1 A 45 45 GLY HA3 H 45 3.510 4.244 -0.734 1
1 466 . 12 1 1 A 45 45 GLY C C 45 170.730 172.710 -1.980 1
1 467 . 12 1 1 A 45 45 GLY CA C 45 44.130 44.379 -0.249 1
1 468 . 12 1 1 A 45 45 GLY N N 45 111.320 106.357 4.963 1
1 469 . 12 1 1 A 46 46 ARG H H 46 8.600 8.751 -0.151 1
1 470 . 12 1 1 A 46 46 ARG HA H 46 5.420 5.551 -0.131 1
1 477 . 12 1 1 A 46 46 ARG C C 46 172.900 175.155 -2.255 1
1 478 . 12 1 1 A 46 46 ARG CA C 46 54.460 55.416 -0.956 1
1 479 . 12 1 1 A 46 46 ARG CB C 46 32.270 32.263 0.007 1
1 482 . 12 1 1 A 46 46 ARG N N 46 124.920 120.597 4.323 1
1 483 . 12 1 1 A 47 47 SER H H 47 8.350 8.531 -0.181 1
1 484 . 12 1 1 A 47 47 SER HA H 47 4.790 5.051 -0.261 1
1 487 . 12 1 1 A 47 47 SER C C 47 170.830 172.746 -1.916 1
1 488 . 12 1 1 A 47 47 SER CA C 47 57.720 57.611 0.109 1
1 489 . 12 1 1 A 47 47 SER CB C 47 66.390 65.853 0.537 1
1 490 . 12 1 1 A 47 47 SER N N 47 115.750 116.426 -0.676 1
1 491 . 12 1 1 A 48 48 THR H H 48 8.570 8.786 -0.216 1
1 492 . 12 1 1 A 48 48 THR HA H 48 5.210 4.611 0.599 1
1 497 . 12 1 1 A 48 48 THR C C 48 171.920 174.362 -2.442 1
1 498 . 12 1 1 A 48 48 THR CA C 48 62.350 62.808 -0.458 1
1 499 . 12 1 1 A 48 48 THR CB C 48 70.320 68.666 1.654 1
1 501 . 12 1 1 A 48 48 THR N N 48 120.420 122.146 -1.726 1
1 502 . 12 1 1 A 49 49 VAL H H 49 9.020 8.809 0.211 1
1 503 . 12 1 1 A 49 49 VAL HA H 49 4.800 5.092 -0.292 1
1 511 . 12 1 1 A 49 49 VAL C C 49 171.700 175.368 -3.668 1
1 512 . 12 1 1 A 49 49 VAL CA C 49 58.540 58.919 -0.379 1
1 513 . 12 1 1 A 49 49 VAL CB C 49 36.420 35.431 0.989 1
1 516 . 12 1 1 A 49 49 VAL N N 49 119.320 120.162 -0.842 1
1 517 . 12 1 1 A 50 50 GLN H H 50 8.320 8.290 0.030 1
1 518 . 12 1 1 A 50 50 GLN HA H 50 4.450 4.774 -0.324 1
1 525 . 12 1 1 A 50 50 GLN C C 50 173.270 175.959 -2.689 1
1 526 . 12 1 1 A 50 50 GLN CA C 50 55.860 55.892 -0.032 1
1 527 . 12 1 1 A 50 50 GLN CB C 50 29.250 29.585 -0.335 1
1 529 . 12 1 1 A 50 50 GLN N N 50 119.390 119.951 -0.561 1
1 531 . 12 1 1 A 51 51 PHE H H 51 8.690 8.965 -0.275 1
1 532 . 12 1 1 A 51 51 PHE HA H 51 4.430 4.688 -0.258 1
1 539 . 12 1 1 A 51 51 PHE C C 51 171.970 174.238 -2.268 1
1 540 . 12 1 1 A 51 51 PHE CA C 51 58.850 57.511 1.339 1
1 541 . 12 1 1 A 51 51 PHE CB C 51 40.100 39.071 1.029 1
1 546 . 12 1 1 A 51 51 PHE N N 51 125.010 124.004 1.006 1
1 547 . 12 1 1 A 52 52 HIS H H 52 6.480 8.525 -2.045 1
1 548 . 12 1 1 A 52 52 HIS HA H 52 4.100 4.897 -0.797 1
1 553 . 12 1 1 A 52 52 HIS CA C 52 57.230 54.520 2.710 1
1 554 . 12 1 1 A 52 52 HIS CB C 52 34.130 31.705 2.425 1
1 557 . 12 1 1 A 52 52 HIS N N 52 126.100 127.435 -1.335 1
1 558 . 12 1 1 A 53 53 ILE HA H 53 3.760 3.330 0.430 1
1 568 . 12 1 1 A 53 53 ILE CA C 53 62.780 64.244 -1.464 1
1 569 . 12 1 1 A 53 53 ILE CB C 53 38.920 37.200 1.720 1
1 573 . 12 1 1 A 54 54 LEU HA H 54 4.370 4.204 0.166 1
1 583 . 12 1 1 A 54 54 LEU C C 54 174.460 176.058 -1.598 1
1 584 . 12 1 1 A 54 54 LEU CA C 54 55.430 54.235 1.195 1
1 585 . 12 1 1 A 54 54 LEU CB C 54 41.760 41.890 -0.130 1
1 589 . 12 1 1 A 55 55 GLY H H 55 7.100 6.998 0.102 1
1 590 . 12 1 1 A 55 55 GLY HA2 H 55 4.280 3.743 0.537 1
1 591 . 12 1 1 A 55 55 GLY HA3 H 55 3.760 4.020 -0.260 1
1 592 . 12 1 1 A 55 55 GLY C C 55 182.880 173.231 9.649 1
1 593 . 12 1 1 A 55 55 GLY CA C 55 45.070 44.435 0.635 1
1 594 . 12 1 1 A 55 55 GLY N N 55 106.000 107.104 -1.104 1
1 595 . 12 1 1 A 56 56 MET H H 56 8.650 8.706 -0.056 1
1 596 . 12 1 1 A 56 56 MET HA H 56 4.500 5.009 -0.509 1
1 604 . 12 1 1 A 56 56 MET C C 56 170.320 175.481 -5.161 1
1 605 . 12 1 1 A 56 56 MET CA C 56 55.110 54.989 0.121 1
1 606 . 12 1 1 A 56 56 MET CB C 56 35.270 32.824 2.446 1
1 609 . 12 1 1 A 56 56 MET N N 56 120.630 121.385 -0.755 1
1 610 . 12 1 1 A 57 57 LYS H H 57 7.850 8.773 -0.923 1
1 611 . 12 1 1 A 57 57 LYS HA H 57 3.520 4.728 -1.208 1
1 620 . 12 1 1 A 57 57 LYS C C 57 172.230 175.951 -3.721 1
1 621 . 12 1 1 A 57 57 LYS CA C 57 54.850 55.363 -0.513 1
1 622 . 12 1 1 A 57 57 LYS CB C 57 33.420 33.762 -0.342 1
1 626 . 12 1 1 A 57 57 LYS N N 57 125.140 126.010 -0.870 1
1 627 . 12 1 1 A 58 58 CYS H H 58 8.680 8.083 0.597 1
1 628 . 12 1 1 A 58 58 CYS HA H 58 3.630 4.381 -0.751 1
1 631 . 12 1 1 A 58 58 CYS C C 58 175.080 175.678 -0.598 1
1 632 . 12 1 1 A 58 58 CYS CA C 58 60.100 60.067 0.033 1
1 633 . 12 1 1 A 58 58 CYS CB C 58 30.620 28.123 2.497 1
1 634 . 12 1 1 A 58 58 CYS N N 58 126.470 125.420 1.050 1
1 635 . 12 1 1 A 59 59 LYS H H 59 7.450 9.088 -1.638 1
1 636 . 12 1 1 A 59 59 LYS HA H 59 4.020 4.222 -0.202 1
1 645 . 12 1 1 A 59 59 LYS C C 59 173.460 177.435 -3.975 1
1 646 . 12 1 1 A 59 59 LYS CA C 59 57.850 57.618 0.232 1
1 647 . 12 1 1 A 59 59 LYS CB C 59 33.080 32.363 0.717 1
1 651 . 12 1 1 A 59 59 LYS N N 59 128.510 128.305 0.205 1
1 652 . 12 1 1 A 60 60 ILE H H 60 9.120 7.348 1.772 1
1 653 . 12 1 1 A 60 60 ILE HA H 60 3.840 3.999 -0.159 1
1 663 . 12 1 1 A 60 60 ILE C C 60 174.920 177.459 -2.539 1
1 664 . 12 1 1 A 60 60 ILE CA C 60 63.990 63.049 0.941 1
1 665 . 12 1 1 A 60 60 ILE CB C 60 38.510 39.018 -0.508 1
1 669 . 12 1 1 A 60 60 ILE N N 60 122.830 117.730 5.100 1
1 670 . 12 1 1 A 61 61 CYS H H 61 8.900 7.729 1.171 1
1 671 . 12 1 1 A 61 61 CYS HA H 61 4.960 4.562 0.398 1
1 674 . 12 1 1 A 61 61 CYS C C 61 173.530 175.325 -1.795 1
1 675 . 12 1 1 A 61 61 CYS CA C 61 58.750 58.388 0.362 1
1 676 . 12 1 1 A 61 61 CYS CB C 61 32.740 29.570 3.170 1
1 677 . 12 1 1 A 61 61 CYS N N 61 120.650 115.824 4.826 1
1 678 . 12 1 1 A 62 62 GLU H H 62 7.240 7.947 -0.707 1
1 679 . 12 1 1 A 62 62 GLU HA H 62 3.830 4.031 -0.201 1
1 684 . 12 1 1 A 62 62 GLU C C 62 170.720 174.186 -3.466 1
1 685 . 12 1 1 A 62 62 GLU CA C 62 58.960 57.228 1.732 1
1 686 . 12 1 1 A 62 62 GLU CB C 62 26.790 27.003 -0.213 1
1 688 . 12 1 1 A 62 62 GLU N N 62 114.650 116.346 -1.696 1
1 689 . 12 1 1 A 63 63 SER H H 63 8.130 7.064 1.066 1
1 690 . 12 1 1 A 63 63 SER HA H 63 4.390 4.312 0.078 1
1 693 . 12 1 1 A 63 63 SER CA C 63 58.130 56.851 1.279 1
1 694 . 12 1 1 A 63 63 SER CB C 63 64.180 64.364 -0.184 1
1 695 . 12 1 1 A 63 63 SER N N 63 114.690 114.041 0.649 1
1 696 . 12 1 1 A 64 64 TYR HA H 64 4.610 4.671 -0.061 1
1 703 . 12 1 1 A 64 64 TYR C C 64 174.140 175.347 -1.207 1
1 704 . 12 1 1 A 64 64 TYR CA C 64 59.030 58.092 0.938 1
1 705 . 12 1 1 A 64 64 TYR CB C 64 38.350 39.003 -0.653 1
1 710 . 12 1 1 A 65 65 ASN H H 65 9.410 7.304 2.106 1
1 711 . 12 1 1 A 65 65 ASN HA H 65 5.010 4.774 0.236 1
1 716 . 12 1 1 A 65 65 ASN C C 65 170.800 173.730 -2.930 1
1 717 . 12 1 1 A 65 65 ASN CA C 65 51.730 52.619 -0.889 1
1 718 . 12 1 1 A 65 65 ASN CB C 65 35.880 37.921 -2.041 1
1 719 . 12 1 1 A 65 65 ASN N N 65 124.590 120.284 4.306 1
1 721 . 12 1 1 A 66 66 THR H H 66 8.040 8.330 -0.290 1
1 722 . 12 1 1 A 66 66 THR HA H 66 4.960 5.212 -0.252 1
1 727 . 12 1 1 A 66 66 THR C C 66 169.060 172.429 -3.369 1
1 728 . 12 1 1 A 66 66 THR CA C 66 58.650 59.746 -1.096 1
1 729 . 12 1 1 A 66 66 THR CB C 66 72.830 72.923 -0.093 1
1 731 . 12 1 1 A 66 66 THR N N 66 110.130 115.801 -5.671 1
1 732 . 12 1 1 A 67 67 ALA H H 67 8.560 8.780 -0.220 1
1 733 . 12 1 1 A 67 67 ALA HA H 67 4.690 5.229 -0.539 1
1 737 . 12 1 1 A 67 67 ALA C C 67 173.640 176.001 -2.361 1
1 738 . 12 1 1 A 67 67 ALA CA C 67 51.070 50.448 0.622 1
1 739 . 12 1 1 A 67 67 ALA CB C 67 22.560 23.668 -1.108 1
1 740 . 12 1 1 A 67 67 ALA N N 67 120.400 122.706 -2.306 1
1 741 . 12 1 1 A 68 68 GLN H H 68 8.910 8.319 0.591 1
1 742 . 12 1 1 A 68 68 GLN HA H 68 4.380 4.462 -0.082 1
1 749 . 12 1 1 A 68 68 GLN C C 68 173.320 176.405 -3.085 1
1 750 . 12 1 1 A 68 68 GLN CA C 68 57.610 55.981 1.629 1
1 751 . 12 1 1 A 68 68 GLN CB C 68 29.250 29.582 -0.332 1
1 753 . 12 1 1 A 68 68 GLN N N 68 120.570 119.332 1.238 1
1 755 . 12 1 1 A 69 69 ALA H H 69 8.920 8.484 0.436 1
1 756 . 12 1 1 A 69 69 ALA HA H 69 4.370 4.278 0.092 1
1 760 . 12 1 1 A 69 69 ALA C C 69 174.630 178.200 -3.570 1
1 761 . 12 1 1 A 69 69 ALA CA C 69 52.080 52.797 -0.717 1
1 762 . 12 1 1 A 69 69 ALA CB C 69 19.750 19.966 -0.216 1
1 763 . 12 1 1 A 69 69 ALA N N 69 128.720 126.261 2.459 1
1 764 . 12 1 1 A 70 70 GLY H H 70 8.330 8.642 -0.312 1
1 765 . 12 1 1 A 70 70 GLY HA2 H 70 4.000 3.994 0.006 1
1 766 . 12 1 1 A 70 70 GLY HA3 H 70 4.000 3.994 0.006 1
1 767 . 12 1 1 A 70 70 GLY C C 70 171.580 174.813 -3.233 1
1 768 . 12 1 1 A 70 70 GLY CA C 70 45.200 45.155 0.045 1
1 769 . 12 1 1 A 70 70 GLY N N 70 108.440 109.470 -1.030 1
1 770 . 12 1 1 A 71 71 GLY H H 71 8.330 8.769 -0.439 1
1 771 . 12 1 1 A 71 71 GLY HA2 H 71 3.940 3.900 0.040 1
1 772 . 12 1 1 A 71 71 GLY HA3 H 71 3.940 3.902 0.038 1
1 773 . 12 1 1 A 71 71 GLY C C 71 171.150 173.964 -2.814 1
1 774 . 12 1 1 A 71 71 GLY CA C 71 45.170 47.280 -2.110 1
1 775 . 12 1 1 A 71 71 GLY N N 71 108.430 108.009 0.421 1
1 776 . 12 1 1 A 72 72 ARG H H 72 8.210 8.374 -0.164 1
1 777 . 12 1 1 A 72 72 ARG HA H 72 4.340 4.558 -0.218 1
1 784 . 12 1 1 A 72 72 ARG C C 72 173.350 175.664 -2.314 1
1 785 . 12 1 1 A 72 72 ARG CA C 72 55.700 54.838 0.862 1
1 786 . 12 1 1 A 72 72 ARG CB C 72 30.900 31.633 -0.733 1
1 789 . 12 1 1 A 72 72 ARG N N 72 120.590 126.107 -5.517 1
1 790 . 12 1 1 A 73 73 ARG H H 73 8.450 8.800 -0.350 1
1 791 . 12 1 1 A 73 73 ARG HA H 73 4.350 4.598 -0.248 1
1 798 . 12 1 1 A 73 73 ARG C C 73 173.200 174.995 -1.795 1
1 799 . 12 1 1 A 73 73 ARG CA C 73 55.560 56.024 -0.464 1
1 800 . 12 1 1 A 73 73 ARG CB C 73 30.690 30.701 -0.011 1
1 803 . 12 1 1 A 73 73 ARG N N 73 123.800 127.862 -4.062 1
1 804 . 12 1 1 A 74 74 ILE H H 74 8.360 8.484 -0.124 1
1 805 . 12 1 1 A 74 74 ILE HA H 74 4.160 4.473 -0.313 1
1 815 . 12 1 1 A 74 74 ILE C C 74 173.230 176.008 -2.778 1
1 816 . 12 1 1 A 74 74 ILE CA C 74 61.030 60.288 0.742 1
1 817 . 12 1 1 A 74 74 ILE CB C 74 38.920 39.173 -0.253 1
1 821 . 12 1 1 A 74 74 ILE N N 74 123.330 127.826 -4.496 1
1 822 . 12 1 1 A 75 75 SER H H 75 8.340 8.605 -0.265 1
1 823 . 12 1 1 A 75 75 SER HA H 75 4.450 4.609 -0.159 1
1 826 . 12 1 1 A 75 75 SER C C 75 171.620 173.813 -2.193 1
1 827 . 12 1 1 A 75 75 SER CA C 75 57.890 59.263 -1.373 1
1 828 . 12 1 1 A 75 75 SER CB C 75 64.000 62.692 1.308 1
1 829 . 12 1 1 A 75 75 SER N N 75 119.950 122.730 -2.780 1
1 830 . 12 1 1 A 76 76 LEU H H 76 8.400 8.195 0.205 1
1 831 . 12 1 1 A 76 76 LEU HA H 76 4.300 4.733 -0.433 1
1 840 . 12 1 1 A 76 76 LEU C C 76 173.730 173.939 -0.209 1
1 841 . 12 1 1 A 76 76 LEU CA C 76 55.510 54.367 1.143 1
1 842 . 12 1 1 A 76 76 LEU CB C 76 42.290 45.664 -3.374 1
1 845 . 12 1 1 A 76 76 LEU N N 76 124.860 126.652 -1.792 1
1 846 . 12 1 1 A 77 77 ASP H H 77 8.240 9.128 -0.888 1
1 847 . 12 1 1 A 77 77 ASP HA H 77 4.530 4.891 -0.361 1
1 850 . 12 1 1 A 77 77 ASP C C 77 173.190 174.980 -1.790 1
1 851 . 12 1 1 A 77 77 ASP CA C 77 54.540 53.333 1.207 1
1 852 . 12 1 1 A 77 77 ASP CB C 77 41.250 40.937 0.313 1
1 853 . 12 1 1 A 77 77 ASP N N 77 119.920 128.238 -8.318 1
1 854 . 12 1 1 A 78 78 GLN H H 78 8.120 8.274 -0.154 1
1 855 . 12 1 1 A 78 78 GLN HA H 78 4.310 4.657 -0.347 1
1 862 . 12 1 1 A 78 78 GLN C C 78 171.810 175.058 -3.248 1
1 863 . 12 1 1 A 78 78 GLN CA C 78 55.450 55.610 -0.160 1
1 864 . 12 1 1 A 78 78 GLN CB C 78 29.920 31.334 -1.414 1
1 866 . 12 1 1 A 78 78 GLN N N 78 120.080 125.350 -5.270 1
1 334 . 13 1 1 A 34 34 MET HA H 34 4.620 4.569 0.051 1
1 342 . 13 1 1 A 34 34 MET C C 34 172.400 175.857 -3.457 1
1 343 . 13 1 1 A 34 34 MET CA C 34 55.830 55.481 0.349 1
1 344 . 13 1 1 A 34 34 MET CB C 34 34.150 32.666 1.484 1
1 347 . 13 1 1 A 35 35 THR H H 35 8.280 8.795 -0.515 1
1 348 . 13 1 1 A 35 35 THR HA H 35 5.030 5.353 -0.323 1
1 353 . 13 1 1 A 35 35 THR C C 35 171.200 173.667 -2.467 1
1 354 . 13 1 1 A 35 35 THR CA C 35 60.370 60.788 -0.418 1
1 355 . 13 1 1 A 35 35 THR CB C 35 71.110 71.456 -0.346 1
1 357 . 13 1 1 A 35 35 THR N N 35 116.750 117.065 -0.315 1
1 358 . 13 1 1 A 36 36 VAL H H 36 9.240 9.298 -0.058 1
1 359 . 13 1 1 A 36 36 VAL HA H 36 4.560 4.914 -0.354 1
1 367 . 13 1 1 A 36 36 VAL C C 36 170.520 174.379 -3.859 1
1 368 . 13 1 1 A 36 36 VAL CA C 36 59.740 58.987 0.753 1
1 369 . 13 1 1 A 36 36 VAL CB C 36 36.040 34.939 1.101 1
1 372 . 13 1 1 A 36 36 VAL N N 36 117.880 120.739 -2.859 1
1 373 . 13 1 1 A 37 37 ASP H H 37 8.330 8.772 -0.442 1
1 374 . 13 1 1 A 37 37 ASP HA H 37 5.470 5.265 0.205 1
1 377 . 13 1 1 A 37 37 ASP C C 37 173.810 176.047 -2.237 1
1 378 . 13 1 1 A 37 37 ASP CA C 37 53.140 53.691 -0.551 1
1 379 . 13 1 1 A 37 37 ASP CB C 37 40.960 41.432 -0.472 1
1 380 . 13 1 1 A 37 37 ASP N N 37 123.580 122.282 1.298 1
1 381 . 13 1 1 A 38 38 ILE H H 38 9.310 8.885 0.425 1
1 382 . 13 1 1 A 38 38 ILE HA H 38 5.060 5.033 0.027 1
1 392 . 13 1 1 A 38 38 ILE C C 38 171.700 173.989 -2.289 1
1 393 . 13 1 1 A 38 38 ILE CA C 38 59.260 59.113 0.147 1
1 394 . 13 1 1 A 38 38 ILE CB C 38 43.150 40.870 2.280 1
1 398 . 13 1 1 A 38 38 ILE N N 38 116.250 120.165 -3.915 1
1 399 . 13 1 1 A 39 39 LEU H H 39 8.840 9.280 -0.440 1
1 400 . 13 1 1 A 39 39 LEU HA H 39 4.830 5.097 -0.267 1
1 410 . 13 1 1 A 39 39 LEU C C 39 172.350 176.192 -3.842 1
1 411 . 13 1 1 A 39 39 LEU CA C 39 53.060 53.609 -0.549 1
1 412 . 13 1 1 A 39 39 LEU CB C 39 45.380 44.428 0.952 1
1 416 . 13 1 1 A 39 39 LEU N N 39 121.570 126.683 -5.113 1
1 417 . 13 1 1 A 40 40 CYS H H 40 8.460 8.759 -0.299 1
1 418 . 13 1 1 A 40 40 CYS HA H 40 4.390 4.523 -0.133 1
1 421 . 13 1 1 A 40 40 CYS C C 40 174.410 174.414 -0.004 1
1 422 . 13 1 1 A 40 40 CYS CA C 40 58.530 59.630 -1.100 1
1 423 . 13 1 1 A 40 40 CYS CB C 40 33.410 27.346 6.064 1
1 424 . 13 1 1 A 40 40 CYS N N 40 127.490 124.675 2.815 1
1 425 . 13 1 1 A 41 41 ASN H H 41 9.280 8.935 0.345 1
1 426 . 13 1 1 A 41 41 ASN HA H 41 4.620 4.664 -0.044 1
1 431 . 13 1 1 A 41 41 ASN C C 41 172.280 176.204 -3.924 1
1 432 . 13 1 1 A 41 41 ASN CA C 41 54.860 54.813 0.047 1
1 433 . 13 1 1 A 41 41 ASN CB C 41 38.710 38.911 -0.201 1
1 434 . 13 1 1 A 41 41 ASN N N 41 126.320 123.457 2.863 1
1 436 . 13 1 1 A 42 42 ASP H H 42 9.360 7.987 1.373 1
1 437 . 13 1 1 A 42 42 ASP HA H 42 4.940 4.706 0.234 1
1 440 . 13 1 1 A 42 42 ASP C C 42 174.400 177.635 -3.235 1
1 441 . 13 1 1 A 42 42 ASP CA C 42 56.650 56.667 -0.017 1
1 442 . 13 1 1 A 42 42 ASP CB C 42 41.910 41.443 0.467 1
1 443 . 13 1 1 A 42 42 ASP N N 42 123.070 116.867 6.203 1
1 444 . 13 1 1 A 43 43 CYS H H 43 9.260 7.836 1.424 1
1 445 . 13 1 1 A 43 43 CYS HA H 43 4.940 4.409 0.531 1
1 448 . 13 1 1 A 43 43 CYS C C 43 174.140 174.190 -0.050 1
1 449 . 13 1 1 A 43 43 CYS CA C 43 58.590 58.494 0.096 1
1 450 . 13 1 1 A 43 43 CYS CB C 43 31.960 27.853 4.107 1
1 451 . 13 1 1 A 43 43 CYS N N 43 121.590 114.451 7.139 1
1 452 . 13 1 1 A 44 44 ASN H H 44 7.650 8.002 -0.352 1
1 453 . 13 1 1 A 44 44 ASN HA H 44 4.770 4.508 0.262 1
1 458 . 13 1 1 A 44 44 ASN C C 44 171.350 174.205 -2.855 1
1 459 . 13 1 1 A 44 44 ASN CA C 44 55.450 54.607 0.843 1
1 460 . 13 1 1 A 44 44 ASN CB C 44 37.970 36.722 1.248 1
1 461 . 13 1 1 A 44 44 ASN N N 44 118.000 116.386 1.614 1
1 463 . 13 1 1 A 45 45 GLY H H 45 9.220 7.968 1.252 1
1 464 . 13 1 1 A 45 45 GLY HA2 H 45 4.210 4.265 -0.055 1
1 465 . 13 1 1 A 45 45 GLY HA3 H 45 3.510 4.270 -0.760 1
1 466 . 13 1 1 A 45 45 GLY C C 45 170.730 172.831 -2.101 1
1 467 . 13 1 1 A 45 45 GLY CA C 45 44.130 44.629 -0.499 1
1 468 . 13 1 1 A 45 45 GLY N N 45 111.320 105.847 5.473 1
1 469 . 13 1 1 A 46 46 ARG H H 46 8.600 8.725 -0.125 1
1 470 . 13 1 1 A 46 46 ARG HA H 46 5.420 5.655 -0.235 1
1 477 . 13 1 1 A 46 46 ARG C C 46 172.900 175.261 -2.361 1
1 478 . 13 1 1 A 46 46 ARG CA C 46 54.460 55.702 -1.242 1
1 479 . 13 1 1 A 46 46 ARG CB C 46 32.270 31.629 0.641 1
1 482 . 13 1 1 A 46 46 ARG N N 46 124.920 120.957 3.963 1
1 483 . 13 1 1 A 47 47 SER H H 47 8.350 8.453 -0.103 1
1 484 . 13 1 1 A 47 47 SER HA H 47 4.790 4.978 -0.188 1
1 487 . 13 1 1 A 47 47 SER C C 47 170.830 172.847 -2.017 1
1 488 . 13 1 1 A 47 47 SER CA C 47 57.720 57.660 0.060 1
1 489 . 13 1 1 A 47 47 SER CB C 47 66.390 66.160 0.230 1
1 490 . 13 1 1 A 47 47 SER N N 47 115.750 117.557 -1.807 1
1 491 . 13 1 1 A 48 48 THR H H 48 8.570 8.791 -0.221 1
1 492 . 13 1 1 A 48 48 THR HA H 48 5.210 4.724 0.486 1
1 497 . 13 1 1 A 48 48 THR C C 48 171.920 174.000 -2.080 1
1 498 . 13 1 1 A 48 48 THR CA C 48 62.350 62.256 0.094 1
1 499 . 13 1 1 A 48 48 THR CB C 48 70.320 68.791 1.529 1
1 501 . 13 1 1 A 48 48 THR N N 48 120.420 121.680 -1.260 1
1 502 . 13 1 1 A 49 49 VAL H H 49 9.020 8.529 0.491 1
1 503 . 13 1 1 A 49 49 VAL HA H 49 4.800 5.032 -0.232 1
1 511 . 13 1 1 A 49 49 VAL C C 49 171.700 174.746 -3.046 1
1 512 . 13 1 1 A 49 49 VAL CA C 49 58.540 59.061 -0.521 1
1 513 . 13 1 1 A 49 49 VAL CB C 49 36.420 35.983 0.437 1
1 516 . 13 1 1 A 49 49 VAL N N 49 119.320 119.547 -0.227 1
1 517 . 13 1 1 A 50 50 GLN H H 50 8.320 8.294 0.026 1
1 518 . 13 1 1 A 50 50 GLN HA H 50 4.450 4.578 -0.128 1
1 525 . 13 1 1 A 50 50 GLN C C 50 173.270 175.463 -2.193 1
1 526 . 13 1 1 A 50 50 GLN CA C 50 55.860 55.879 -0.019 1
1 527 . 13 1 1 A 50 50 GLN CB C 50 29.250 29.104 0.146 1
1 529 . 13 1 1 A 50 50 GLN N N 50 119.390 121.826 -2.436 1
1 531 . 13 1 1 A 51 51 PHE H H 51 8.690 8.922 -0.232 1
1 532 . 13 1 1 A 51 51 PHE HA H 51 4.430 4.679 -0.249 1
1 539 . 13 1 1 A 51 51 PHE C C 51 171.970 174.349 -2.379 1
1 540 . 13 1 1 A 51 51 PHE CA C 51 58.850 56.717 2.133 1
1 541 . 13 1 1 A 51 51 PHE CB C 51 40.100 38.923 1.177 1
1 546 . 13 1 1 A 51 51 PHE N N 51 125.010 122.907 2.103 1
1 547 . 13 1 1 A 52 52 HIS H H 52 6.480 8.464 -1.984 1
1 548 . 13 1 1 A 52 52 HIS HA H 52 4.100 4.682 -0.582 1
1 553 . 13 1 1 A 52 52 HIS CA C 52 57.230 55.000 2.230 1
1 554 . 13 1 1 A 52 52 HIS CB C 52 34.130 30.121 4.009 1
1 557 . 13 1 1 A 52 52 HIS N N 52 126.100 127.602 -1.502 1
1 558 . 13 1 1 A 53 53 ILE HA H 53 3.760 3.168 0.592 1
1 568 . 13 1 1 A 53 53 ILE CA C 53 62.780 63.752 -0.972 1
1 569 . 13 1 1 A 53 53 ILE CB C 53 38.920 37.469 1.451 1
1 573 . 13 1 1 A 54 54 LEU HA H 54 4.370 4.194 0.176 1
1 583 . 13 1 1 A 54 54 LEU C C 54 174.460 176.216 -1.756 1
1 584 . 13 1 1 A 54 54 LEU CA C 54 55.430 54.582 0.848 1
1 585 . 13 1 1 A 54 54 LEU CB C 54 41.760 42.139 -0.379 1
1 589 . 13 1 1 A 55 55 GLY H H 55 7.100 7.145 -0.045 1
1 590 . 13 1 1 A 55 55 GLY HA2 H 55 4.280 4.129 0.151 1
1 591 . 13 1 1 A 55 55 GLY HA3 H 55 3.760 4.184 -0.424 1
1 592 . 13 1 1 A 55 55 GLY C C 55 182.880 173.214 9.666 1
1 593 . 13 1 1 A 55 55 GLY CA C 55 45.070 44.818 0.252 1
1 594 . 13 1 1 A 55 55 GLY N N 55 106.000 107.010 -1.010 1
1 595 . 13 1 1 A 56 56 MET H H 56 8.650 8.690 -0.040 1
1 596 . 13 1 1 A 56 56 MET HA H 56 4.500 4.719 -0.219 1
1 604 . 13 1 1 A 56 56 MET C C 56 170.320 175.911 -5.591 1
1 605 . 13 1 1 A 56 56 MET CA C 56 55.110 55.894 -0.784 1
1 606 . 13 1 1 A 56 56 MET CB C 56 35.270 33.485 1.785 1
1 609 . 13 1 1 A 56 56 MET N N 56 120.630 123.435 -2.805 1
1 610 . 13 1 1 A 57 57 LYS H H 57 7.850 8.641 -0.791 1
1 611 . 13 1 1 A 57 57 LYS HA H 57 3.520 4.349 -0.829 1
1 620 . 13 1 1 A 57 57 LYS C C 57 172.230 175.849 -3.619 1
1 621 . 13 1 1 A 57 57 LYS CA C 57 54.850 56.161 -1.311 1
1 622 . 13 1 1 A 57 57 LYS CB C 57 33.420 33.011 0.409 1
1 626 . 13 1 1 A 57 57 LYS N N 57 125.140 123.492 1.648 1
1 627 . 13 1 1 A 58 58 CYS H H 58 8.680 8.324 0.356 1
1 628 . 13 1 1 A 58 58 CYS HA H 58 3.630 4.585 -0.955 1
1 631 . 13 1 1 A 58 58 CYS C C 58 175.080 175.852 -0.772 1
1 632 . 13 1 1 A 58 58 CYS CA C 58 60.100 58.785 1.315 1
1 633 . 13 1 1 A 58 58 CYS CB C 58 30.620 28.186 2.434 1
1 634 . 13 1 1 A 58 58 CYS N N 58 126.470 126.328 0.142 1
1 635 . 13 1 1 A 59 59 LYS H H 59 7.450 8.721 -1.271 1
1 636 . 13 1 1 A 59 59 LYS HA H 59 4.020 4.687 -0.667 1
1 645 . 13 1 1 A 59 59 LYS C C 59 173.460 177.968 -4.508 1
1 646 . 13 1 1 A 59 59 LYS CA C 59 57.850 57.492 0.358 1
1 647 . 13 1 1 A 59 59 LYS CB C 59 33.080 32.193 0.887 1
1 651 . 13 1 1 A 59 59 LYS N N 59 128.510 127.681 0.829 1
1 652 . 13 1 1 A 60 60 ILE H H 60 9.120 7.865 1.255 1
1 653 . 13 1 1 A 60 60 ILE HA H 60 3.840 3.964 -0.124 1
1 663 . 13 1 1 A 60 60 ILE C C 60 174.920 177.423 -2.503 1
1 664 . 13 1 1 A 60 60 ILE CA C 60 63.990 63.542 0.448 1
1 665 . 13 1 1 A 60 60 ILE CB C 60 38.510 38.737 -0.227 1
1 669 . 13 1 1 A 60 60 ILE N N 60 122.830 117.753 5.077 1
1 670 . 13 1 1 A 61 61 CYS H H 61 8.900 7.721 1.179 1
1 671 . 13 1 1 A 61 61 CYS HA H 61 4.960 4.539 0.421 1
1 674 . 13 1 1 A 61 61 CYS C C 61 173.530 175.314 -1.784 1
1 675 . 13 1 1 A 61 61 CYS CA C 61 58.750 58.331 0.419 1
1 676 . 13 1 1 A 61 61 CYS CB C 61 32.740 29.870 2.870 1
1 677 . 13 1 1 A 61 61 CYS N N 61 120.650 115.867 4.783 1
1 678 . 13 1 1 A 62 62 GLU H H 62 7.240 7.999 -0.759 1
1 679 . 13 1 1 A 62 62 GLU HA H 62 3.830 3.917 -0.087 1
1 684 . 13 1 1 A 62 62 GLU C C 62 170.720 173.786 -3.066 1
1 685 . 13 1 1 A 62 62 GLU CA C 62 58.960 57.363 1.597 1
1 686 . 13 1 1 A 62 62 GLU CB C 62 26.790 26.878 -0.088 1
1 688 . 13 1 1 A 62 62 GLU N N 62 114.650 116.376 -1.726 1
1 689 . 13 1 1 A 63 63 SER H H 63 8.130 7.428 0.702 1
1 690 . 13 1 1 A 63 63 SER HA H 63 4.390 4.604 -0.214 1
1 693 . 13 1 1 A 63 63 SER CA C 63 58.130 56.285 1.845 1
1 694 . 13 1 1 A 63 63 SER CB C 63 64.180 64.937 -0.757 1
1 695 . 13 1 1 A 63 63 SER N N 63 114.690 113.422 1.268 1
1 696 . 13 1 1 A 64 64 TYR HA H 64 4.610 5.011 -0.401 1
1 703 . 13 1 1 A 64 64 TYR C C 64 174.140 175.357 -1.217 1
1 704 . 13 1 1 A 64 64 TYR CA C 64 59.030 57.553 1.477 1
1 705 . 13 1 1 A 64 64 TYR CB C 64 38.350 38.707 -0.357 1
1 710 . 13 1 1 A 65 65 ASN H H 65 9.410 7.447 1.963 1
1 711 . 13 1 1 A 65 65 ASN HA H 65 5.010 4.804 0.206 1
1 716 . 13 1 1 A 65 65 ASN C C 65 170.800 173.820 -3.020 1
1 717 . 13 1 1 A 65 65 ASN CA C 65 51.730 52.340 -0.610 1
1 718 . 13 1 1 A 65 65 ASN CB C 65 35.880 37.312 -1.432 1
1 719 . 13 1 1 A 65 65 ASN N N 65 124.590 120.945 3.645 1
1 721 . 13 1 1 A 66 66 THR H H 66 8.040 8.226 -0.186 1
1 722 . 13 1 1 A 66 66 THR HA H 66 4.960 5.275 -0.315 1
1 727 . 13 1 1 A 66 66 THR C C 66 169.060 173.243 -4.183 1
1 728 . 13 1 1 A 66 66 THR CA C 66 58.650 59.863 -1.213 1
1 729 . 13 1 1 A 66 66 THR CB C 66 72.830 72.134 0.696 1
1 731 . 13 1 1 A 66 66 THR N N 66 110.130 115.607 -5.477 1
1 732 . 13 1 1 A 67 67 ALA H H 67 8.560 9.145 -0.585 1
1 733 . 13 1 1 A 67 67 ALA HA H 67 4.690 5.209 -0.519 1
1 737 . 13 1 1 A 67 67 ALA C C 67 173.640 176.004 -2.364 1
1 738 . 13 1 1 A 67 67 ALA CA C 67 51.070 50.002 1.068 1
1 739 . 13 1 1 A 67 67 ALA CB C 67 22.560 21.989 0.571 1
1 740 . 13 1 1 A 67 67 ALA N N 67 120.400 124.663 -4.263 1
1 741 . 13 1 1 A 68 68 GLN H H 68 8.910 8.630 0.280 1
1 742 . 13 1 1 A 68 68 GLN HA H 68 4.380 4.537 -0.157 1
1 749 . 13 1 1 A 68 68 GLN C C 68 173.320 175.170 -1.850 1
1 750 . 13 1 1 A 68 68 GLN CA C 68 57.610 55.722 1.888 1
1 751 . 13 1 1 A 68 68 GLN CB C 68 29.250 28.917 0.333 1
1 753 . 13 1 1 A 68 68 GLN N N 68 120.570 120.724 -0.154 1
1 755 . 13 1 1 A 69 69 ALA H H 69 8.920 8.481 0.439 1
1 756 . 13 1 1 A 69 69 ALA HA H 69 4.370 4.203 0.167 1
1 760 . 13 1 1 A 69 69 ALA C C 69 174.630 178.315 -3.685 1
1 761 . 13 1 1 A 69 69 ALA CA C 69 52.080 54.000 -1.920 1
1 762 . 13 1 1 A 69 69 ALA CB C 69 19.750 19.423 0.327 1
1 763 . 13 1 1 A 69 69 ALA N N 69 128.720 129.730 -1.010 1
1 764 . 13 1 1 A 70 70 GLY H H 70 8.330 7.487 0.843 1
1 765 . 13 1 1 A 70 70 GLY HA2 H 70 4.000 3.946 0.054 1
1 766 . 13 1 1 A 70 70 GLY HA3 H 70 4.000 3.951 0.049 1
1 767 . 13 1 1 A 70 70 GLY C C 70 171.580 175.574 -3.994 1
1 768 . 13 1 1 A 70 70 GLY CA C 70 45.200 46.466 -1.266 1
1 769 . 13 1 1 A 70 70 GLY N N 70 108.440 105.539 2.901 1
1 770 . 13 1 1 A 71 71 GLY H H 71 8.330 8.244 0.086 1
1 771 . 13 1 1 A 71 71 GLY HA2 H 71 3.940 3.865 0.075 1
1 772 . 13 1 1 A 71 71 GLY HA3 H 71 3.940 3.865 0.075 1
1 773 . 13 1 1 A 71 71 GLY C C 71 171.150 174.071 -2.921 1
1 774 . 13 1 1 A 71 71 GLY CA C 71 45.170 47.214 -2.044 1
1 775 . 13 1 1 A 71 71 GLY N N 71 108.430 110.207 -1.777 1
1 776 . 13 1 1 A 72 72 ARG H H 72 8.210 7.768 0.442 1
1 777 . 13 1 1 A 72 72 ARG HA H 72 4.340 4.799 -0.459 1
1 784 . 13 1 1 A 72 72 ARG C C 72 173.350 174.425 -1.075 1
1 785 . 13 1 1 A 72 72 ARG CA C 72 55.700 54.524 1.176 1
1 786 . 13 1 1 A 72 72 ARG CB C 72 30.900 32.787 -1.887 1
1 789 . 13 1 1 A 72 72 ARG N N 72 120.590 118.554 2.036 1
1 790 . 13 1 1 A 73 73 ARG H H 73 8.450 9.145 -0.695 1
1 791 . 13 1 1 A 73 73 ARG HA H 73 4.350 4.910 -0.560 1
1 798 . 13 1 1 A 73 73 ARG C C 73 173.200 175.155 -1.955 1
1 799 . 13 1 1 A 73 73 ARG CA C 73 55.560 54.769 0.791 1
1 800 . 13 1 1 A 73 73 ARG CB C 73 30.690 32.511 -1.821 1
1 803 . 13 1 1 A 73 73 ARG N N 73 123.800 124.845 -1.045 1
1 804 . 13 1 1 A 74 74 ILE H H 74 8.360 9.004 -0.644 1
1 805 . 13 1 1 A 74 74 ILE HA H 74 4.160 4.896 -0.736 1
1 815 . 13 1 1 A 74 74 ILE C C 74 173.230 174.649 -1.419 1
1 816 . 13 1 1 A 74 74 ILE CA C 74 61.030 60.223 0.807 1
1 817 . 13 1 1 A 74 74 ILE CB C 74 38.920 39.314 -0.394 1
1 821 . 13 1 1 A 74 74 ILE N N 74 123.330 123.742 -0.412 1
1 822 . 13 1 1 A 75 75 SER H H 75 8.340 8.801 -0.461 1
1 823 . 13 1 1 A 75 75 SER HA H 75 4.450 5.082 -0.632 1
1 826 . 13 1 1 A 75 75 SER C C 75 171.620 173.078 -1.458 1
1 827 . 13 1 1 A 75 75 SER CA C 75 57.890 57.811 0.079 1
1 828 . 13 1 1 A 75 75 SER CB C 75 64.000 64.087 -0.087 1
1 829 . 13 1 1 A 75 75 SER N N 75 119.950 124.451 -4.501 1
1 830 . 13 1 1 A 76 76 LEU H H 76 8.400 8.987 -0.587 1
1 831 . 13 1 1 A 76 76 LEU HA H 76 4.300 5.050 -0.750 1
1 840 . 13 1 1 A 76 76 LEU C C 76 173.730 174.483 -0.753 1
1 841 . 13 1 1 A 76 76 LEU CA C 76 55.510 53.700 1.810 1
1 842 . 13 1 1 A 76 76 LEU CB C 76 42.290 44.784 -2.494 1
1 845 . 13 1 1 A 76 76 LEU N N 76 124.860 129.090 -4.230 1
1 846 . 13 1 1 A 77 77 ASP H H 77 8.240 9.065 -0.825 1
1 847 . 13 1 1 A 77 77 ASP HA H 77 4.530 5.540 -1.010 1
1 850 . 13 1 1 A 77 77 ASP C C 77 173.190 174.033 -0.843 1
1 851 . 13 1 1 A 77 77 ASP CA C 77 54.540 52.505 2.035 1
1 852 . 13 1 1 A 77 77 ASP CB C 77 41.250 42.984 -1.734 1
1 853 . 13 1 1 A 77 77 ASP N N 77 119.920 125.680 -5.760 1
1 854 . 13 1 1 A 78 78 GLN H H 78 8.120 8.912 -0.792 1
1 855 . 13 1 1 A 78 78 GLN HA H 78 4.310 4.737 -0.427 1
1 862 . 13 1 1 A 78 78 GLN C C 78 171.810 174.886 -3.076 1
1 863 . 13 1 1 A 78 78 GLN CA C 78 55.450 54.638 0.812 1
1 864 . 13 1 1 A 78 78 GLN CB C 78 29.920 29.970 -0.050 1
1 866 . 13 1 1 A 78 78 GLN N N 78 120.080 124.361 -4.281 1
1 334 . 14 1 1 A 34 34 MET HA H 34 4.620 4.402 0.218 1
1 342 . 14 1 1 A 34 34 MET C C 34 172.400 175.471 -3.071 1
1 343 . 14 1 1 A 34 34 MET CA C 34 55.830 56.270 -0.440 1
1 344 . 14 1 1 A 34 34 MET CB C 34 34.150 33.300 0.850 1
1 347 . 14 1 1 A 35 35 THR H H 35 8.280 8.603 -0.323 1
1 348 . 14 1 1 A 35 35 THR HA H 35 5.030 5.250 -0.220 1
1 353 . 14 1 1 A 35 35 THR C C 35 171.200 174.123 -2.923 1
1 354 . 14 1 1 A 35 35 THR CA C 35 60.370 60.875 -0.505 1
1 355 . 14 1 1 A 35 35 THR CB C 35 71.110 70.127 0.983 1
1 357 . 14 1 1 A 35 35 THR N N 35 116.750 117.988 -1.238 1
1 358 . 14 1 1 A 36 36 VAL H H 36 9.240 9.290 -0.050 1
1 359 . 14 1 1 A 36 36 VAL HA H 36 4.560 4.869 -0.309 1
1 367 . 14 1 1 A 36 36 VAL C C 36 170.520 174.190 -3.670 1
1 368 . 14 1 1 A 36 36 VAL CA C 36 59.740 59.273 0.467 1
1 369 . 14 1 1 A 36 36 VAL CB C 36 36.040 35.442 0.598 1
1 372 . 14 1 1 A 36 36 VAL N N 36 117.880 121.675 -3.795 1
1 373 . 14 1 1 A 37 37 ASP H H 37 8.330 8.856 -0.526 1
1 374 . 14 1 1 A 37 37 ASP HA H 37 5.470 5.518 -0.048 1
1 377 . 14 1 1 A 37 37 ASP C C 37 173.810 175.760 -1.950 1
1 378 . 14 1 1 A 37 37 ASP CA C 37 53.140 52.786 0.354 1
1 379 . 14 1 1 A 37 37 ASP CB C 37 40.960 41.938 -0.978 1
1 380 . 14 1 1 A 37 37 ASP N N 37 123.580 122.712 0.868 1
1 381 . 14 1 1 A 38 38 ILE H H 38 9.310 9.049 0.261 1
1 382 . 14 1 1 A 38 38 ILE HA H 38 5.060 5.045 0.015 1
1 392 . 14 1 1 A 38 38 ILE C C 38 171.700 174.397 -2.697 1
1 393 . 14 1 1 A 38 38 ILE CA C 38 59.260 59.766 -0.506 1
1 394 . 14 1 1 A 38 38 ILE CB C 38 43.150 40.645 2.505 1
1 398 . 14 1 1 A 38 38 ILE N N 38 116.250 120.618 -4.368 1
1 399 . 14 1 1 A 39 39 LEU H H 39 8.840 9.222 -0.382 1
1 400 . 14 1 1 A 39 39 LEU HA H 39 4.830 5.140 -0.310 1
1 410 . 14 1 1 A 39 39 LEU C C 39 172.350 175.939 -3.589 1
1 411 . 14 1 1 A 39 39 LEU CA C 39 53.060 53.344 -0.284 1
1 412 . 14 1 1 A 39 39 LEU CB C 39 45.380 45.053 0.327 1
1 416 . 14 1 1 A 39 39 LEU N N 39 121.570 127.618 -6.048 1
1 417 . 14 1 1 A 40 40 CYS H H 40 8.460 8.759 -0.299 1
1 418 . 14 1 1 A 40 40 CYS HA H 40 4.390 4.601 -0.211 1
1 421 . 14 1 1 A 40 40 CYS C C 40 174.410 174.252 0.158 1
1 422 . 14 1 1 A 40 40 CYS CA C 40 58.530 59.528 -0.998 1
1 423 . 14 1 1 A 40 40 CYS CB C 40 33.410 27.918 5.492 1
1 424 . 14 1 1 A 40 40 CYS N N 40 127.490 125.478 2.012 1
1 425 . 14 1 1 A 41 41 ASN H H 41 9.280 8.979 0.301 1
1 426 . 14 1 1 A 41 41 ASN HA H 41 4.620 4.652 -0.032 1
1 431 . 14 1 1 A 41 41 ASN C C 41 172.280 176.063 -3.783 1
1 432 . 14 1 1 A 41 41 ASN CA C 41 54.860 54.611 0.249 1
1 433 . 14 1 1 A 41 41 ASN CB C 41 38.710 38.981 -0.271 1
1 434 . 14 1 1 A 41 41 ASN N N 41 126.320 122.681 3.639 1
1 436 . 14 1 1 A 42 42 ASP H H 42 9.360 8.002 1.358 1
1 437 . 14 1 1 A 42 42 ASP HA H 42 4.940 4.769 0.171 1
1 440 . 14 1 1 A 42 42 ASP C C 42 174.400 177.561 -3.161 1
1 441 . 14 1 1 A 42 42 ASP CA C 42 56.650 56.278 0.372 1
1 442 . 14 1 1 A 42 42 ASP CB C 42 41.910 41.632 0.278 1
1 443 . 14 1 1 A 42 42 ASP N N 42 123.070 117.004 6.066 1
1 444 . 14 1 1 A 43 43 CYS H H 43 9.260 7.821 1.439 1
1 445 . 14 1 1 A 43 43 CYS HA H 43 4.940 4.402 0.538 1
1 448 . 14 1 1 A 43 43 CYS C C 43 174.140 174.396 -0.256 1
1 449 . 14 1 1 A 43 43 CYS CA C 43 58.590 58.679 -0.089 1
1 450 . 14 1 1 A 43 43 CYS CB C 43 31.960 27.577 4.383 1
1 451 . 14 1 1 A 43 43 CYS N N 43 121.590 114.494 7.096 1
1 452 . 14 1 1 A 44 44 ASN H H 44 7.650 7.999 -0.349 1
1 453 . 14 1 1 A 44 44 ASN HA H 44 4.770 4.651 0.119 1
1 458 . 14 1 1 A 44 44 ASN C C 44 171.350 174.156 -2.806 1
1 459 . 14 1 1 A 44 44 ASN CA C 44 55.450 54.642 0.808 1
1 460 . 14 1 1 A 44 44 ASN CB C 44 37.970 36.865 1.105 1
1 461 . 14 1 1 A 44 44 ASN N N 44 118.000 115.851 2.149 1
1 463 . 14 1 1 A 45 45 GLY H H 45 9.220 8.091 1.129 1
1 464 . 14 1 1 A 45 45 GLY HA2 H 45 4.210 4.175 0.035 1
1 465 . 14 1 1 A 45 45 GLY HA3 H 45 3.510 4.177 -0.667 1
1 466 . 14 1 1 A 45 45 GLY C C 45 170.730 172.747 -2.017 1
1 467 . 14 1 1 A 45 45 GLY CA C 45 44.130 44.228 -0.098 1
1 468 . 14 1 1 A 45 45 GLY N N 45 111.320 106.846 4.474 1
1 469 . 14 1 1 A 46 46 ARG H H 46 8.600 8.744 -0.144 1
1 470 . 14 1 1 A 46 46 ARG HA H 46 5.420 5.547 -0.127 1
1 477 . 14 1 1 A 46 46 ARG C C 46 172.900 174.986 -2.086 1
1 478 . 14 1 1 A 46 46 ARG CA C 46 54.460 54.966 -0.506 1
1 479 . 14 1 1 A 46 46 ARG CB C 46 32.270 32.696 -0.426 1
1 482 . 14 1 1 A 46 46 ARG N N 46 124.920 120.131 4.789 1
1 483 . 14 1 1 A 47 47 SER H H 47 8.350 8.619 -0.269 1
1 484 . 14 1 1 A 47 47 SER HA H 47 4.790 5.029 -0.239 1
1 487 . 14 1 1 A 47 47 SER C C 47 170.830 172.739 -1.909 1
1 488 . 14 1 1 A 47 47 SER CA C 47 57.720 57.669 0.051 1
1 489 . 14 1 1 A 47 47 SER CB C 47 66.390 65.776 0.614 1
1 490 . 14 1 1 A 47 47 SER N N 47 115.750 116.822 -1.072 1
1 491 . 14 1 1 A 48 48 THR H H 48 8.570 8.884 -0.314 1
1 492 . 14 1 1 A 48 48 THR HA H 48 5.210 4.861 0.349 1
1 497 . 14 1 1 A 48 48 THR C C 48 171.920 174.479 -2.559 1
1 498 . 14 1 1 A 48 48 THR CA C 48 62.350 62.455 -0.105 1
1 499 . 14 1 1 A 48 48 THR CB C 48 70.320 68.858 1.462 1
1 501 . 14 1 1 A 48 48 THR N N 48 120.420 122.554 -2.134 1
1 502 . 14 1 1 A 49 49 VAL H H 49 9.020 8.885 0.135 1
1 503 . 14 1 1 A 49 49 VAL HA H 49 4.800 5.027 -0.227 1
1 511 . 14 1 1 A 49 49 VAL C C 49 171.700 175.327 -3.627 1
1 512 . 14 1 1 A 49 49 VAL CA C 49 58.540 58.958 -0.418 1
1 513 . 14 1 1 A 49 49 VAL CB C 49 36.420 35.370 1.050 1
1 516 . 14 1 1 A 49 49 VAL N N 49 119.320 120.246 -0.926 1
1 517 . 14 1 1 A 50 50 GLN H H 50 8.320 8.252 0.068 1
1 518 . 14 1 1 A 50 50 GLN HA H 50 4.450 4.480 -0.030 1
1 525 . 14 1 1 A 50 50 GLN C C 50 173.270 176.066 -2.796 1
1 526 . 14 1 1 A 50 50 GLN CA C 50 55.860 56.485 -0.625 1
1 527 . 14 1 1 A 50 50 GLN CB C 50 29.250 29.199 0.051 1
1 529 . 14 1 1 A 50 50 GLN N N 50 119.390 120.335 -0.945 1
1 531 . 14 1 1 A 51 51 PHE H H 51 8.690 8.642 0.048 1
1 532 . 14 1 1 A 51 51 PHE HA H 51 4.430 4.708 -0.278 1
1 539 . 14 1 1 A 51 51 PHE C C 51 171.970 174.273 -2.303 1
1 540 . 14 1 1 A 51 51 PHE CA C 51 58.850 57.965 0.885 1
1 541 . 14 1 1 A 51 51 PHE CB C 51 40.100 39.469 0.631 1
1 546 . 14 1 1 A 51 51 PHE N N 51 125.010 123.665 1.345 1
1 547 . 14 1 1 A 52 52 HIS H H 52 6.480 8.347 -1.867 1
1 548 . 14 1 1 A 52 52 HIS HA H 52 4.100 4.892 -0.792 1
1 553 . 14 1 1 A 52 52 HIS CA C 52 57.230 54.584 2.646 1
1 554 . 14 1 1 A 52 52 HIS CB C 52 34.130 31.855 2.275 1
1 557 . 14 1 1 A 52 52 HIS N N 52 126.100 127.212 -1.112 1
1 558 . 14 1 1 A 53 53 ILE HA H 53 3.760 3.332 0.428 1
1 568 . 14 1 1 A 53 53 ILE CA C 53 62.780 64.266 -1.486 1
1 569 . 14 1 1 A 53 53 ILE CB C 53 38.920 37.253 1.667 1
1 573 . 14 1 1 A 54 54 LEU HA H 54 4.370 4.331 0.039 1
1 583 . 14 1 1 A 54 54 LEU C C 54 174.460 176.235 -1.775 1
1 584 . 14 1 1 A 54 54 LEU CA C 54 55.430 54.509 0.921 1
1 585 . 14 1 1 A 54 54 LEU CB C 54 41.760 42.102 -0.342 1
1 589 . 14 1 1 A 55 55 GLY H H 55 7.100 7.131 -0.031 1
1 590 . 14 1 1 A 55 55 GLY HA2 H 55 4.280 4.119 0.161 1
1 591 . 14 1 1 A 55 55 GLY HA3 H 55 3.760 4.130 -0.370 1
1 592 . 14 1 1 A 55 55 GLY C C 55 182.880 173.186 9.694 1
1 593 . 14 1 1 A 55 55 GLY CA C 55 45.070 44.553 0.517 1
1 594 . 14 1 1 A 55 55 GLY N N 55 106.000 107.453 -1.453 1
1 595 . 14 1 1 A 56 56 MET H H 56 8.650 8.499 0.151 1
1 596 . 14 1 1 A 56 56 MET HA H 56 4.500 5.070 -0.570 1
1 604 . 14 1 1 A 56 56 MET C C 56 170.320 174.783 -4.463 1
1 605 . 14 1 1 A 56 56 MET CA C 56 55.110 55.048 0.062 1
1 606 . 14 1 1 A 56 56 MET CB C 56 35.270 34.903 0.367 1
1 609 . 14 1 1 A 56 56 MET N N 56 120.630 121.217 -0.587 1
1 610 . 14 1 1 A 57 57 LYS H H 57 7.850 8.729 -0.879 1
1 611 . 14 1 1 A 57 57 LYS HA H 57 3.520 5.040 -1.520 1
1 620 . 14 1 1 A 57 57 LYS C C 57 172.230 175.505 -3.275 1
1 621 . 14 1 1 A 57 57 LYS CA C 57 54.850 54.414 0.436 1
1 622 . 14 1 1 A 57 57 LYS CB C 57 33.420 35.811 -2.391 1
1 626 . 14 1 1 A 57 57 LYS N N 57 125.140 122.188 2.952 1
1 627 . 14 1 1 A 58 58 CYS H H 58 8.680 8.810 -0.130 1
1 628 . 14 1 1 A 58 58 CYS HA H 58 3.630 4.558 -0.928 1
1 631 . 14 1 1 A 58 58 CYS C C 58 175.080 176.273 -1.193 1
1 632 . 14 1 1 A 58 58 CYS CA C 58 60.100 59.153 0.947 1
1 633 . 14 1 1 A 58 58 CYS CB C 58 30.620 28.283 2.337 1
1 634 . 14 1 1 A 58 58 CYS N N 58 126.470 125.052 1.418 1
1 635 . 14 1 1 A 59 59 LYS H H 59 7.450 8.967 -1.517 1
1 636 . 14 1 1 A 59 59 LYS HA H 59 4.020 4.154 -0.134 1
1 645 . 14 1 1 A 59 59 LYS C C 59 173.460 178.352 -4.892 1
1 646 . 14 1 1 A 59 59 LYS CA C 59 57.850 58.002 -0.152 1
1 647 . 14 1 1 A 59 59 LYS CB C 59 33.080 32.352 0.728 1
1 651 . 14 1 1 A 59 59 LYS N N 59 128.510 128.122 0.388 1
1 652 . 14 1 1 A 60 60 ILE H H 60 9.120 7.838 1.282 1
1 653 . 14 1 1 A 60 60 ILE HA H 60 3.840 4.005 -0.165 1
1 663 . 14 1 1 A 60 60 ILE C C 60 174.920 177.556 -2.636 1
1 664 . 14 1 1 A 60 60 ILE CA C 60 63.990 63.739 0.251 1
1 665 . 14 1 1 A 60 60 ILE CB C 60 38.510 38.902 -0.392 1
1 669 . 14 1 1 A 60 60 ILE N N 60 122.830 118.238 4.592 1
1 670 . 14 1 1 A 61 61 CYS H H 61 8.900 7.754 1.146 1
1 671 . 14 1 1 A 61 61 CYS HA H 61 4.960 4.562 0.398 1
1 674 . 14 1 1 A 61 61 CYS C C 61 173.530 175.128 -1.598 1
1 675 . 14 1 1 A 61 61 CYS CA C 61 58.750 58.173 0.577 1
1 676 . 14 1 1 A 61 61 CYS CB C 61 32.740 29.474 3.266 1
1 677 . 14 1 1 A 61 61 CYS N N 61 120.650 115.865 4.785 1
1 678 . 14 1 1 A 62 62 GLU H H 62 7.240 7.995 -0.755 1
1 679 . 14 1 1 A 62 62 GLU HA H 62 3.830 4.079 -0.249 1
1 684 . 14 1 1 A 62 62 GLU C C 62 170.720 173.884 -3.164 1
1 685 . 14 1 1 A 62 62 GLU CA C 62 58.960 57.526 1.434 1
1 686 . 14 1 1 A 62 62 GLU CB C 62 26.790 27.219 -0.429 1
1 688 . 14 1 1 A 62 62 GLU N N 62 114.650 116.514 -1.864 1
1 689 . 14 1 1 A 63 63 SER H H 63 8.130 7.623 0.507 1
1 690 . 14 1 1 A 63 63 SER HA H 63 4.390 4.800 -0.410 1
1 693 . 14 1 1 A 63 63 SER CA C 63 58.130 56.342 1.788 1
1 694 . 14 1 1 A 63 63 SER CB C 63 64.180 64.891 -0.711 1
1 695 . 14 1 1 A 63 63 SER N N 63 114.690 113.641 1.049 1
1 696 . 14 1 1 A 64 64 TYR HA H 64 4.610 4.692 -0.082 1
1 703 . 14 1 1 A 64 64 TYR C C 64 174.140 176.026 -1.886 1
1 704 . 14 1 1 A 64 64 TYR CA C 64 59.030 57.665 1.365 1
1 705 . 14 1 1 A 64 64 TYR CB C 64 38.350 38.804 -0.454 1
1 710 . 14 1 1 A 65 65 ASN H H 65 9.410 7.012 2.398 1
1 711 . 14 1 1 A 65 65 ASN HA H 65 5.010 4.611 0.399 1
1 716 . 14 1 1 A 65 65 ASN C C 65 170.800 173.724 -2.924 1
1 717 . 14 1 1 A 65 65 ASN CA C 65 51.730 52.253 -0.523 1
1 718 . 14 1 1 A 65 65 ASN CB C 65 35.880 37.342 -1.462 1
1 719 . 14 1 1 A 65 65 ASN N N 65 124.590 119.903 4.687 1
1 721 . 14 1 1 A 66 66 THR H H 66 8.040 8.185 -0.145 1
1 722 . 14 1 1 A 66 66 THR HA H 66 4.960 5.107 -0.147 1
1 727 . 14 1 1 A 66 66 THR C C 66 169.060 172.803 -3.743 1
1 728 . 14 1 1 A 66 66 THR CA C 66 58.650 59.872 -1.222 1
1 729 . 14 1 1 A 66 66 THR CB C 66 72.830 72.700 0.130 1
1 731 . 14 1 1 A 66 66 THR N N 66 110.130 116.057 -5.927 1
1 732 . 14 1 1 A 67 67 ALA H H 67 8.560 9.037 -0.477 1
1 733 . 14 1 1 A 67 67 ALA HA H 67 4.690 5.295 -0.605 1
1 737 . 14 1 1 A 67 67 ALA C C 67 173.640 176.307 -2.667 1
1 738 . 14 1 1 A 67 67 ALA CA C 67 51.070 50.006 1.064 1
1 739 . 14 1 1 A 67 67 ALA CB C 67 22.560 23.419 -0.859 1
1 740 . 14 1 1 A 67 67 ALA N N 67 120.400 123.777 -3.377 1
1 741 . 14 1 1 A 68 68 GLN H H 68 8.910 8.474 0.436 1
1 742 . 14 1 1 A 68 68 GLN HA H 68 4.380 4.512 -0.132 1
1 749 . 14 1 1 A 68 68 GLN C C 68 173.320 175.719 -2.399 1
1 750 . 14 1 1 A 68 68 GLN CA C 68 57.610 56.323 1.287 1
1 751 . 14 1 1 A 68 68 GLN CB C 68 29.250 28.907 0.343 1
1 753 . 14 1 1 A 68 68 GLN N N 68 120.570 120.064 0.506 1
1 755 . 14 1 1 A 69 69 ALA H H 69 8.920 8.414 0.506 1
1 756 . 14 1 1 A 69 69 ALA HA H 69 4.370 4.440 -0.070 1
1 760 . 14 1 1 A 69 69 ALA C C 69 174.630 177.425 -2.795 1
1 761 . 14 1 1 A 69 69 ALA CA C 69 52.080 52.580 -0.500 1
1 762 . 14 1 1 A 69 69 ALA CB C 69 19.750 19.207 0.543 1
1 763 . 14 1 1 A 69 69 ALA N N 69 128.720 128.365 0.355 1
1 764 . 14 1 1 A 70 70 GLY H H 70 8.330 8.437 -0.107 1
1 765 . 14 1 1 A 70 70 GLY HA2 H 70 4.000 4.029 -0.029 1
1 766 . 14 1 1 A 70 70 GLY HA3 H 70 4.000 4.030 -0.030 1
1 767 . 14 1 1 A 70 70 GLY C C 70 171.580 174.060 -2.480 1
1 768 . 14 1 1 A 70 70 GLY CA C 70 45.200 45.581 -0.381 1
1 769 . 14 1 1 A 70 70 GLY N N 70 108.440 109.603 -1.163 1
1 770 . 14 1 1 A 71 71 GLY H H 71 8.330 7.463 0.867 1
1 771 . 14 1 1 A 71 71 GLY HA2 H 71 3.940 4.046 -0.106 1
1 772 . 14 1 1 A 71 71 GLY HA3 H 71 3.940 4.047 -0.107 1
1 773 . 14 1 1 A 71 71 GLY C C 71 171.150 171.746 -0.596 1
1 774 . 14 1 1 A 71 71 GLY CA C 71 45.170 46.006 -0.836 1
1 775 . 14 1 1 A 71 71 GLY N N 71 108.430 104.447 3.983 1
1 776 . 14 1 1 A 72 72 ARG H H 72 8.210 8.619 -0.409 1
1 777 . 14 1 1 A 72 72 ARG HA H 72 4.340 4.757 -0.417 1
1 784 . 14 1 1 A 72 72 ARG C C 72 173.350 175.364 -2.014 1
1 785 . 14 1 1 A 72 72 ARG CA C 72 55.700 55.495 0.205 1
1 786 . 14 1 1 A 72 72 ARG CB C 72 30.900 31.341 -0.441 1
1 789 . 14 1 1 A 72 72 ARG N N 72 120.590 122.527 -1.937 1
1 790 . 14 1 1 A 73 73 ARG H H 73 8.450 8.814 -0.364 1
1 791 . 14 1 1 A 73 73 ARG HA H 73 4.350 4.619 -0.269 1
1 798 . 14 1 1 A 73 73 ARG C C 73 173.200 175.711 -2.511 1
1 799 . 14 1 1 A 73 73 ARG CA C 73 55.560 56.118 -0.558 1
1 800 . 14 1 1 A 73 73 ARG CB C 73 30.690 30.739 -0.049 1
1 803 . 14 1 1 A 73 73 ARG N N 73 123.800 128.490 -4.690 1
1 804 . 14 1 1 A 74 74 ILE H H 74 8.360 8.831 -0.471 1
1 805 . 14 1 1 A 74 74 ILE HA H 74 4.160 4.931 -0.771 1
1 815 . 14 1 1 A 74 74 ILE C C 74 173.230 174.472 -1.242 1
1 816 . 14 1 1 A 74 74 ILE CA C 74 61.030 59.806 1.224 1
1 817 . 14 1 1 A 74 74 ILE CB C 74 38.920 40.082 -1.162 1
1 821 . 14 1 1 A 74 74 ILE N N 74 123.330 122.797 0.533 1
1 822 . 14 1 1 A 75 75 SER H H 75 8.340 8.878 -0.538 1
1 823 . 14 1 1 A 75 75 SER HA H 75 4.450 4.732 -0.282 1
1 826 . 14 1 1 A 75 75 SER C C 75 171.620 173.653 -2.033 1
1 827 . 14 1 1 A 75 75 SER CA C 75 57.890 58.965 -1.075 1
1 828 . 14 1 1 A 75 75 SER CB C 75 64.000 63.086 0.914 1
1 829 . 14 1 1 A 75 75 SER N N 75 119.950 124.186 -4.236 1
1 830 . 14 1 1 A 76 76 LEU H H 76 8.400 8.929 -0.529 1
1 831 . 14 1 1 A 76 76 LEU HA H 76 4.300 5.100 -0.800 1
1 840 . 14 1 1 A 76 76 LEU C C 76 173.730 174.846 -1.116 1
1 841 . 14 1 1 A 76 76 LEU CA C 76 55.510 53.381 2.129 1
1 842 . 14 1 1 A 76 76 LEU CB C 76 42.290 45.031 -2.741 1
1 845 . 14 1 1 A 76 76 LEU N N 76 124.860 129.041 -4.181 1
1 846 . 14 1 1 A 77 77 ASP H H 77 8.240 8.656 -0.416 1
1 847 . 14 1 1 A 77 77 ASP HA H 77 4.530 4.747 -0.217 1
1 850 . 14 1 1 A 77 77 ASP C C 77 173.190 174.169 -0.979 1
1 851 . 14 1 1 A 77 77 ASP CA C 77 54.540 53.662 0.878 1
1 852 . 14 1 1 A 77 77 ASP CB C 77 41.250 38.945 2.305 1
1 853 . 14 1 1 A 77 77 ASP N N 77 119.920 125.763 -5.843 1
1 854 . 14 1 1 A 78 78 GLN H H 78 8.120 7.677 0.443 1
1 855 . 14 1 1 A 78 78 GLN HA H 78 4.310 5.120 -0.810 1
1 862 . 14 1 1 A 78 78 GLN C C 78 171.810 174.395 -2.585 1
1 863 . 14 1 1 A 78 78 GLN CA C 78 55.450 54.319 1.131 1
1 864 . 14 1 1 A 78 78 GLN CB C 78 29.920 31.914 -1.994 1
1 866 . 14 1 1 A 78 78 GLN N N 78 120.080 118.977 1.103 1
1 334 . 15 1 1 A 34 34 MET HA H 34 4.620 4.396 0.224 1
1 342 . 15 1 1 A 34 34 MET C C 34 172.400 175.467 -3.067 1
1 343 . 15 1 1 A 34 34 MET CA C 34 55.830 56.211 -0.381 1
1 344 . 15 1 1 A 34 34 MET CB C 34 34.150 33.123 1.027 1
1 347 . 15 1 1 A 35 35 THR H H 35 8.280 8.594 -0.314 1
1 348 . 15 1 1 A 35 35 THR HA H 35 5.030 5.155 -0.125 1
1 353 . 15 1 1 A 35 35 THR C C 35 171.200 174.352 -3.152 1
1 354 . 15 1 1 A 35 35 THR CA C 35 60.370 60.763 -0.393 1
1 355 . 15 1 1 A 35 35 THR CB C 35 71.110 70.251 0.859 1
1 357 . 15 1 1 A 35 35 THR N N 35 116.750 117.725 -0.975 1
1 358 . 15 1 1 A 36 36 VAL H H 36 9.240 9.313 -0.073 1
1 359 . 15 1 1 A 36 36 VAL HA H 36 4.560 4.930 -0.370 1
1 367 . 15 1 1 A 36 36 VAL C C 36 170.520 173.278 -2.758 1
1 368 . 15 1 1 A 36 36 VAL CA C 36 59.740 58.623 1.117 1
1 369 . 15 1 1 A 36 36 VAL CB C 36 36.040 35.123 0.917 1
1 372 . 15 1 1 A 36 36 VAL N N 36 117.880 119.708 -1.828 1
1 373 . 15 1 1 A 37 37 ASP H H 37 8.330 8.899 -0.569 1
1 374 . 15 1 1 A 37 37 ASP HA H 37 5.470 5.385 0.085 1
1 377 . 15 1 1 A 37 37 ASP C C 37 173.810 175.122 -1.312 1
1 378 . 15 1 1 A 37 37 ASP CA C 37 53.140 52.803 0.337 1
1 379 . 15 1 1 A 37 37 ASP CB C 37 40.960 44.329 -3.369 1
1 380 . 15 1 1 A 37 37 ASP N N 37 123.580 122.769 0.811 1
1 381 . 15 1 1 A 38 38 ILE H H 38 9.310 9.058 0.252 1
1 382 . 15 1 1 A 38 38 ILE HA H 38 5.060 5.032 0.028 1
1 392 . 15 1 1 A 38 38 ILE C C 38 171.700 174.278 -2.578 1
1 393 . 15 1 1 A 38 38 ILE CA C 38 59.260 59.267 -0.007 1
1 394 . 15 1 1 A 38 38 ILE CB C 38 43.150 40.761 2.389 1
1 398 . 15 1 1 A 38 38 ILE N N 38 116.250 120.684 -4.434 1
1 399 . 15 1 1 A 39 39 LEU H H 39 8.840 9.095 -0.255 1
1 400 . 15 1 1 A 39 39 LEU HA H 39 4.830 5.151 -0.321 1
1 410 . 15 1 1 A 39 39 LEU C C 39 172.350 175.845 -3.495 1
1 411 . 15 1 1 A 39 39 LEU CA C 39 53.060 53.642 -0.582 1
1 412 . 15 1 1 A 39 39 LEU CB C 39 45.380 45.514 -0.134 1
1 416 . 15 1 1 A 39 39 LEU N N 39 121.570 126.634 -5.064 1
1 417 . 15 1 1 A 40 40 CYS H H 40 8.460 8.713 -0.253 1
1 418 . 15 1 1 A 40 40 CYS HA H 40 4.390 4.497 -0.107 1
1 421 . 15 1 1 A 40 40 CYS C C 40 174.410 174.795 -0.385 1
1 422 . 15 1 1 A 40 40 CYS CA C 40 58.530 59.371 -0.841 1
1 423 . 15 1 1 A 40 40 CYS CB C 40 33.410 27.506 5.904 1
1 424 . 15 1 1 A 40 40 CYS N N 40 127.490 124.837 2.653 1
1 425 . 15 1 1 A 41 41 ASN H H 41 9.280 9.118 0.162 1
1 426 . 15 1 1 A 41 41 ASN HA H 41 4.620 4.973 -0.353 1
1 431 . 15 1 1 A 41 41 ASN C C 41 172.280 175.670 -3.390 1
1 432 . 15 1 1 A 41 41 ASN CA C 41 54.860 53.610 1.250 1
1 433 . 15 1 1 A 41 41 ASN CB C 41 38.710 38.901 -0.191 1
1 434 . 15 1 1 A 41 41 ASN N N 41 126.320 122.491 3.829 1
1 436 . 15 1 1 A 42 42 ASP H H 42 9.360 8.178 1.182 1
1 437 . 15 1 1 A 42 42 ASP HA H 42 4.940 4.867 0.073 1
1 440 . 15 1 1 A 42 42 ASP C C 42 174.400 177.072 -2.672 1
1 441 . 15 1 1 A 42 42 ASP CA C 42 56.650 55.104 1.546 1
1 442 . 15 1 1 A 42 42 ASP CB C 42 41.910 42.051 -0.141 1
1 443 . 15 1 1 A 42 42 ASP N N 42 123.070 118.630 4.440 1
1 444 . 15 1 1 A 43 43 CYS H H 43 9.260 7.939 1.321 1
1 445 . 15 1 1 A 43 43 CYS HA H 43 4.940 4.413 0.527 1
1 448 . 15 1 1 A 43 43 CYS C C 43 174.140 175.074 -0.934 1
1 449 . 15 1 1 A 43 43 CYS CA C 43 58.590 58.451 0.139 1
1 450 . 15 1 1 A 43 43 CYS CB C 43 31.960 27.556 4.404 1
1 451 . 15 1 1 A 43 43 CYS N N 43 121.590 114.966 6.624 1
1 452 . 15 1 1 A 44 44 ASN H H 44 7.650 8.200 -0.550 1
1 453 . 15 1 1 A 44 44 ASN HA H 44 4.770 4.334 0.436 1
1 458 . 15 1 1 A 44 44 ASN C C 44 171.350 174.132 -2.782 1
1 459 . 15 1 1 A 44 44 ASN CA C 44 55.450 54.420 1.030 1
1 460 . 15 1 1 A 44 44 ASN CB C 44 37.970 37.417 0.553 1
1 461 . 15 1 1 A 44 44 ASN N N 44 118.000 118.787 -0.787 1
1 463 . 15 1 1 A 45 45 GLY H H 45 9.220 8.078 1.142 1
1 464 . 15 1 1 A 45 45 GLY HA2 H 45 4.210 4.194 0.016 1
1 465 . 15 1 1 A 45 45 GLY HA3 H 45 3.510 4.194 -0.684 1
1 466 . 15 1 1 A 45 45 GLY C C 45 170.730 172.876 -2.146 1
1 467 . 15 1 1 A 45 45 GLY CA C 45 44.130 44.366 -0.236 1
1 468 . 15 1 1 A 45 45 GLY N N 45 111.320 106.668 4.652 1
1 469 . 15 1 1 A 46 46 ARG H H 46 8.600 8.747 -0.147 1
1 470 . 15 1 1 A 46 46 ARG HA H 46 5.420 5.390 0.030 1
1 477 . 15 1 1 A 46 46 ARG C C 46 172.900 175.296 -2.396 1
1 478 . 15 1 1 A 46 46 ARG CA C 46 54.460 55.389 -0.929 1
1 479 . 15 1 1 A 46 46 ARG CB C 46 32.270 32.203 0.067 1
1 482 . 15 1 1 A 46 46 ARG N N 46 124.920 120.617 4.303 1
1 483 . 15 1 1 A 47 47 SER H H 47 8.350 8.886 -0.536 1
1 484 . 15 1 1 A 47 47 SER HA H 47 4.790 5.091 -0.301 1
1 487 . 15 1 1 A 47 47 SER C C 47 170.830 172.989 -2.159 1
1 488 . 15 1 1 A 47 47 SER CA C 47 57.720 57.721 -0.001 1
1 489 . 15 1 1 A 47 47 SER CB C 47 66.390 65.674 0.716 1
1 490 . 15 1 1 A 47 47 SER N N 47 115.750 117.186 -1.436 1
1 491 . 15 1 1 A 48 48 THR H H 48 8.570 8.782 -0.212 1
1 492 . 15 1 1 A 48 48 THR HA H 48 5.210 4.844 0.366 1
1 497 . 15 1 1 A 48 48 THR C C 48 171.920 174.330 -2.410 1
1 498 . 15 1 1 A 48 48 THR CA C 48 62.350 62.758 -0.408 1
1 499 . 15 1 1 A 48 48 THR CB C 48 70.320 68.806 1.514 1
1 501 . 15 1 1 A 48 48 THR N N 48 120.420 122.516 -2.096 1
1 502 . 15 1 1 A 49 49 VAL H H 49 9.020 8.870 0.150 1
1 503 . 15 1 1 A 49 49 VAL HA H 49 4.800 5.011 -0.211 1
1 511 . 15 1 1 A 49 49 VAL C C 49 171.700 174.600 -2.900 1
1 512 . 15 1 1 A 49 49 VAL CA C 49 58.540 59.168 -0.628 1
1 513 . 15 1 1 A 49 49 VAL CB C 49 36.420 35.057 1.363 1
1 516 . 15 1 1 A 49 49 VAL N N 49 119.320 120.749 -1.429 1
1 517 . 15 1 1 A 50 50 GLN H H 50 8.320 8.525 -0.205 1
1 518 . 15 1 1 A 50 50 GLN HA H 50 4.450 4.531 -0.081 1
1 525 . 15 1 1 A 50 50 GLN C C 50 173.270 176.154 -2.884 1
1 526 . 15 1 1 A 50 50 GLN CA C 50 55.860 55.546 0.314 1
1 527 . 15 1 1 A 50 50 GLN CB C 50 29.250 29.725 -0.475 1
1 529 . 15 1 1 A 50 50 GLN N N 50 119.390 122.693 -3.303 1
1 531 . 15 1 1 A 51 51 PHE H H 51 8.690 8.810 -0.120 1
1 532 . 15 1 1 A 51 51 PHE HA H 51 4.430 4.727 -0.297 1
1 539 . 15 1 1 A 51 51 PHE C C 51 171.970 174.749 -2.779 1
1 540 . 15 1 1 A 51 51 PHE CA C 51 58.850 58.845 0.005 1
1 541 . 15 1 1 A 51 51 PHE CB C 51 40.100 39.184 0.916 1
1 546 . 15 1 1 A 51 51 PHE N N 51 125.010 126.577 -1.567 1
1 547 . 15 1 1 A 52 52 HIS H H 52 6.480 8.379 -1.899 1
1 548 . 15 1 1 A 52 52 HIS HA H 52 4.100 4.900 -0.800 1
1 553 . 15 1 1 A 52 52 HIS CA C 52 57.230 55.504 1.726 1
1 554 . 15 1 1 A 52 52 HIS CB C 52 34.130 32.397 1.733 1
1 557 . 15 1 1 A 52 52 HIS N N 52 126.100 126.559 -0.459 1
1 558 . 15 1 1 A 53 53 ILE HA H 53 3.760 3.378 0.382 1
1 568 . 15 1 1 A 53 53 ILE CA C 53 62.780 64.834 -2.054 1
1 569 . 15 1 1 A 53 53 ILE CB C 53 38.920 37.392 1.528 1
1 573 . 15 1 1 A 54 54 LEU HA H 54 4.370 4.312 0.058 1
1 583 . 15 1 1 A 54 54 LEU C C 54 174.460 176.102 -1.642 1
1 584 . 15 1 1 A 54 54 LEU CA C 54 55.430 54.387 1.043 1
1 585 . 15 1 1 A 54 54 LEU CB C 54 41.760 41.911 -0.151 1
1 589 . 15 1 1 A 55 55 GLY H H 55 7.100 7.070 0.030 1
1 590 . 15 1 1 A 55 55 GLY HA2 H 55 4.280 4.139 0.141 1
1 591 . 15 1 1 A 55 55 GLY HA3 H 55 3.760 4.263 -0.503 1
1 592 . 15 1 1 A 55 55 GLY C C 55 182.880 173.364 9.516 1
1 593 . 15 1 1 A 55 55 GLY CA C 55 45.070 44.948 0.122 1
1 594 . 15 1 1 A 55 55 GLY N N 55 106.000 107.808 -1.808 1
1 595 . 15 1 1 A 56 56 MET H H 56 8.650 9.186 -0.536 1
1 596 . 15 1 1 A 56 56 MET HA H 56 4.500 5.307 -0.807 1
1 604 . 15 1 1 A 56 56 MET C C 56 170.320 174.195 -3.875 1
1 605 . 15 1 1 A 56 56 MET CA C 56 55.110 53.834 1.276 1
1 606 . 15 1 1 A 56 56 MET CB C 56 35.270 34.205 1.065 1
1 609 . 15 1 1 A 56 56 MET N N 56 120.630 124.449 -3.819 1
1 610 . 15 1 1 A 57 57 LYS H H 57 7.850 8.987 -1.137 1
1 611 . 15 1 1 A 57 57 LYS HA H 57 3.520 5.098 -1.578 1
1 620 . 15 1 1 A 57 57 LYS C C 57 172.230 175.703 -3.473 1
1 621 . 15 1 1 A 57 57 LYS CA C 57 54.850 54.508 0.342 1
1 622 . 15 1 1 A 57 57 LYS CB C 57 33.420 35.930 -2.510 1
1 626 . 15 1 1 A 57 57 LYS N N 57 125.140 124.986 0.154 1
1 627 . 15 1 1 A 58 58 CYS H H 58 8.680 8.520 0.160 1
1 628 . 15 1 1 A 58 58 CYS HA H 58 3.630 4.445 -0.815 1
1 631 . 15 1 1 A 58 58 CYS C C 58 175.080 175.528 -0.448 1
1 632 . 15 1 1 A 58 58 CYS CA C 58 60.100 59.979 0.121 1
1 633 . 15 1 1 A 58 58 CYS CB C 58 30.620 28.556 2.064 1
1 634 . 15 1 1 A 58 58 CYS N N 58 126.470 125.116 1.354 1
1 635 . 15 1 1 A 59 59 LYS H H 59 7.450 8.823 -1.373 1
1 636 . 15 1 1 A 59 59 LYS HA H 59 4.020 4.818 -0.798 1
1 645 . 15 1 1 A 59 59 LYS C C 59 173.460 177.750 -4.290 1
1 646 . 15 1 1 A 59 59 LYS CA C 59 57.850 57.204 0.646 1
1 647 . 15 1 1 A 59 59 LYS CB C 59 33.080 32.274 0.806 1
1 651 . 15 1 1 A 59 59 LYS N N 59 128.510 127.539 0.971 1
1 652 . 15 1 1 A 60 60 ILE H H 60 9.120 7.372 1.748 1
1 653 . 15 1 1 A 60 60 ILE HA H 60 3.840 4.022 -0.182 1
1 663 . 15 1 1 A 60 60 ILE C C 60 174.920 177.422 -2.502 1
1 664 . 15 1 1 A 60 60 ILE CA C 60 63.990 63.742 0.248 1
1 665 . 15 1 1 A 60 60 ILE CB C 60 38.510 38.714 -0.204 1
1 669 . 15 1 1 A 60 60 ILE N N 60 122.830 118.595 4.235 1
1 670 . 15 1 1 A 61 61 CYS H H 61 8.900 7.773 1.127 1
1 671 . 15 1 1 A 61 61 CYS HA H 61 4.960 4.578 0.382 1
1 674 . 15 1 1 A 61 61 CYS C C 61 173.530 175.390 -1.860 1
1 675 . 15 1 1 A 61 61 CYS CA C 61 58.750 58.306 0.444 1
1 676 . 15 1 1 A 61 61 CYS CB C 61 32.740 29.775 2.965 1
1 677 . 15 1 1 A 61 61 CYS N N 61 120.650 115.791 4.859 1
1 678 . 15 1 1 A 62 62 GLU H H 62 7.240 8.076 -0.836 1
1 679 . 15 1 1 A 62 62 GLU HA H 62 3.830 4.100 -0.270 1
1 684 . 15 1 1 A 62 62 GLU C C 62 170.720 174.056 -3.336 1
1 685 . 15 1 1 A 62 62 GLU CA C 62 58.960 57.482 1.478 1
1 686 . 15 1 1 A 62 62 GLU CB C 62 26.790 27.241 -0.451 1
1 688 . 15 1 1 A 62 62 GLU N N 62 114.650 116.927 -2.277 1
1 689 . 15 1 1 A 63 63 SER H H 63 8.130 7.654 0.476 1
1 690 . 15 1 1 A 63 63 SER HA H 63 4.390 4.756 -0.366 1
1 693 . 15 1 1 A 63 63 SER CA C 63 58.130 56.357 1.773 1
1 694 . 15 1 1 A 63 63 SER CB C 63 64.180 65.076 -0.896 1
1 695 . 15 1 1 A 63 63 SER N N 63 114.690 113.554 1.136 1
1 696 . 15 1 1 A 64 64 TYR HA H 64 4.610 4.483 0.127 1
1 703 . 15 1 1 A 64 64 TYR C C 64 174.140 175.582 -1.442 1
1 704 . 15 1 1 A 64 64 TYR CA C 64 59.030 59.796 -0.766 1
1 705 . 15 1 1 A 64 64 TYR CB C 64 38.350 39.269 -0.919 1
1 710 . 15 1 1 A 65 65 ASN H H 65 9.410 7.259 2.151 1
1 711 . 15 1 1 A 65 65 ASN HA H 65 5.010 4.653 0.357 1
1 716 . 15 1 1 A 65 65 ASN C C 65 170.800 173.786 -2.986 1
1 717 . 15 1 1 A 65 65 ASN CA C 65 51.730 52.603 -0.873 1
1 718 . 15 1 1 A 65 65 ASN CB C 65 35.880 37.669 -1.789 1
1 719 . 15 1 1 A 65 65 ASN N N 65 124.590 118.378 6.212 1
1 721 . 15 1 1 A 66 66 THR H H 66 8.040 8.163 -0.123 1
1 722 . 15 1 1 A 66 66 THR HA H 66 4.960 5.034 -0.074 1
1 727 . 15 1 1 A 66 66 THR C C 66 169.060 172.726 -3.666 1
1 728 . 15 1 1 A 66 66 THR CA C 66 58.650 59.965 -1.315 1
1 729 . 15 1 1 A 66 66 THR CB C 66 72.830 72.529 0.301 1
1 731 . 15 1 1 A 66 66 THR N N 66 110.130 116.840 -6.710 1
1 732 . 15 1 1 A 67 67 ALA H H 67 8.560 9.242 -0.682 1
1 733 . 15 1 1 A 67 67 ALA HA H 67 4.690 5.151 -0.461 1
1 737 . 15 1 1 A 67 67 ALA C C 67 173.640 175.886 -2.246 1
1 738 . 15 1 1 A 67 67 ALA CA C 67 51.070 50.019 1.051 1
1 739 . 15 1 1 A 67 67 ALA CB C 67 22.560 21.623 0.937 1
1 740 . 15 1 1 A 67 67 ALA N N 67 120.400 123.636 -3.236 1
1 741 . 15 1 1 A 68 68 GLN H H 68 8.910 8.715 0.195 1
1 742 . 15 1 1 A 68 68 GLN HA H 68 4.380 4.389 -0.009 1
1 749 . 15 1 1 A 68 68 GLN C C 68 173.320 175.251 -1.931 1
1 750 . 15 1 1 A 68 68 GLN CA C 68 57.610 56.097 1.513 1
1 751 . 15 1 1 A 68 68 GLN CB C 68 29.250 29.142 0.108 1
1 753 . 15 1 1 A 68 68 GLN N N 68 120.570 124.611 -4.041 1
1 755 . 15 1 1 A 69 69 ALA H H 69 8.920 8.402 0.518 1
1 756 . 15 1 1 A 69 69 ALA HA H 69 4.370 4.414 -0.044 1
1 760 . 15 1 1 A 69 69 ALA C C 69 174.630 178.313 -3.683 1
1 761 . 15 1 1 A 69 69 ALA CA C 69 52.080 52.580 -0.500 1
1 762 . 15 1 1 A 69 69 ALA CB C 69 19.750 19.963 -0.213 1
1 763 . 15 1 1 A 69 69 ALA N N 69 128.720 129.388 -0.668 1
1 764 . 15 1 1 A 70 70 GLY H H 70 8.330 8.795 -0.465 1
1 765 . 15 1 1 A 70 70 GLY HA2 H 70 4.000 3.849 0.151 1
1 766 . 15 1 1 A 70 70 GLY HA3 H 70 4.000 3.850 0.150 1
1 767 . 15 1 1 A 70 70 GLY C C 70 171.580 174.938 -3.358 1
1 768 . 15 1 1 A 70 70 GLY CA C 70 45.200 47.209 -2.009 1
1 769 . 15 1 1 A 70 70 GLY N N 70 108.440 109.456 -1.016 1
1 770 . 15 1 1 A 71 71 GLY H H 71 8.330 8.606 -0.276 1
1 771 . 15 1 1 A 71 71 GLY HA2 H 71 3.940 4.006 -0.066 1
1 772 . 15 1 1 A 71 71 GLY HA3 H 71 3.940 4.008 -0.068 1
1 773 . 15 1 1 A 71 71 GLY C C 71 171.150 173.770 -2.620 1
1 774 . 15 1 1 A 71 71 GLY CA C 71 45.170 46.587 -1.417 1
1 775 . 15 1 1 A 71 71 GLY N N 71 108.430 114.311 -5.881 1
1 776 . 15 1 1 A 72 72 ARG H H 72 8.210 7.836 0.374 1
1 777 . 15 1 1 A 72 72 ARG HA H 72 4.340 4.359 -0.019 1
1 784 . 15 1 1 A 72 72 ARG C C 72 173.350 175.342 -1.992 1
1 785 . 15 1 1 A 72 72 ARG CA C 72 55.700 56.213 -0.513 1
1 786 . 15 1 1 A 72 72 ARG CB C 72 30.900 30.463 0.437 1
1 789 . 15 1 1 A 72 72 ARG N N 72 120.590 122.400 -1.810 1
1 790 . 15 1 1 A 73 73 ARG H H 73 8.450 9.009 -0.559 1
1 791 . 15 1 1 A 73 73 ARG HA H 73 4.350 4.630 -0.280 1
1 798 . 15 1 1 A 73 73 ARG C C 73 173.200 174.827 -1.627 1
1 799 . 15 1 1 A 73 73 ARG CA C 73 55.560 55.795 -0.235 1
1 800 . 15 1 1 A 73 73 ARG CB C 73 30.690 30.691 -0.001 1
1 803 . 15 1 1 A 73 73 ARG N N 73 123.800 124.719 -0.919 1
1 804 . 15 1 1 A 74 74 ILE H H 74 8.360 8.857 -0.497 1
1 805 . 15 1 1 A 74 74 ILE HA H 74 4.160 4.333 -0.173 1
1 815 . 15 1 1 A 74 74 ILE C C 74 173.230 175.445 -2.215 1
1 816 . 15 1 1 A 74 74 ILE CA C 74 61.030 61.144 -0.114 1
1 817 . 15 1 1 A 74 74 ILE CB C 74 38.920 36.841 2.079 1
1 821 . 15 1 1 A 74 74 ILE N N 74 123.330 128.784 -5.454 1
1 822 . 15 1 1 A 75 75 SER H H 75 8.340 8.829 -0.489 1
1 823 . 15 1 1 A 75 75 SER HA H 75 4.450 4.567 -0.117 1
1 826 . 15 1 1 A 75 75 SER C C 75 171.620 174.633 -3.013 1
1 827 . 15 1 1 A 75 75 SER CA C 75 57.890 60.537 -2.647 1
1 828 . 15 1 1 A 75 75 SER CB C 75 64.000 64.091 -0.091 1
1 829 . 15 1 1 A 75 75 SER N N 75 119.950 123.297 -3.347 1
1 830 . 15 1 1 A 76 76 LEU H H 76 8.400 8.092 0.308 1
1 831 . 15 1 1 A 76 76 LEU HA H 76 4.300 4.730 -0.430 1
1 840 . 15 1 1 A 76 76 LEU C C 76 173.730 175.113 -1.383 1
1 841 . 15 1 1 A 76 76 LEU CA C 76 55.510 54.042 1.468 1
1 842 . 15 1 1 A 76 76 LEU CB C 76 42.290 44.004 -1.714 1
1 845 . 15 1 1 A 76 76 LEU N N 76 124.860 121.238 3.622 1
1 846 . 15 1 1 A 77 77 ASP H H 77 8.240 8.566 -0.326 1
1 847 . 15 1 1 A 77 77 ASP HA H 77 4.530 4.956 -0.426 1
1 850 . 15 1 1 A 77 77 ASP C C 77 173.190 175.211 -2.021 1
1 851 . 15 1 1 A 77 77 ASP CA C 77 54.540 53.241 1.299 1
1 852 . 15 1 1 A 77 77 ASP CB C 77 41.250 42.471 -1.221 1
1 853 . 15 1 1 A 77 77 ASP N N 77 119.920 128.164 -8.244 1
1 854 . 15 1 1 A 78 78 GLN H H 78 8.120 7.904 0.216 1
1 855 . 15 1 1 A 78 78 GLN HA H 78 4.310 4.683 -0.373 1
1 862 . 15 1 1 A 78 78 GLN C C 78 171.810 175.257 -3.447 1
1 863 . 15 1 1 A 78 78 GLN CA C 78 55.450 54.396 1.054 1
1 864 . 15 1 1 A 78 78 GLN CB C 78 29.920 31.611 -1.691 1
1 866 . 15 1 1 A 78 78 GLN N N 78 120.080 119.173 0.907 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 42 3.112 1
2 1 1 1 "RMS(OBS, PRED)" CA 45 1.107 1
3 1 1 1 "RMS(OBS, PRED)" CB 41 1.697 1
4 1 1 1 "RMS(OBS, PRED)" H 41 0.772 1
5 1 1 1 "RMS(OBS, PRED)" HA 49 0.391 1
6 1 1 1 "RMS(OBS, PRED)" N 41 3.340 1
7 1 2 1 "RMS(OBS, PRED)" C 42 3.179 1
8 1 2 1 "RMS(OBS, PRED)" CA 45 0.952 1
9 1 2 1 "RMS(OBS, PRED)" CB 41 1.689 1
10 1 2 1 "RMS(OBS, PRED)" H 41 0.769 1
11 1 2 1 "RMS(OBS, PRED)" HA 49 0.359 1
12 1 2 1 "RMS(OBS, PRED)" N 41 3.301 1
13 1 3 1 "RMS(OBS, PRED)" C 42 3.255 1
14 1 3 1 "RMS(OBS, PRED)" CA 45 1.031 1
15 1 3 1 "RMS(OBS, PRED)" CB 41 1.692 1
16 1 3 1 "RMS(OBS, PRED)" H 41 0.783 1
17 1 3 1 "RMS(OBS, PRED)" HA 49 0.379 1
18 1 3 1 "RMS(OBS, PRED)" N 41 3.431 1
19 1 4 1 "RMS(OBS, PRED)" C 42 3.062 1
20 1 4 1 "RMS(OBS, PRED)" CA 45 1.133 1
21 1 4 1 "RMS(OBS, PRED)" CB 41 1.822 1
22 1 4 1 "RMS(OBS, PRED)" H 41 0.758 1
23 1 4 1 "RMS(OBS, PRED)" HA 49 0.455 1
24 1 4 1 "RMS(OBS, PRED)" N 41 3.482 1
25 1 5 1 "RMS(OBS, PRED)" C 42 3.068 1
26 1 5 1 "RMS(OBS, PRED)" CA 45 1.014 1
27 1 5 1 "RMS(OBS, PRED)" CB 41 1.689 1
28 1 5 1 "RMS(OBS, PRED)" H 41 0.774 1
29 1 5 1 "RMS(OBS, PRED)" HA 49 0.411 1
30 1 5 1 "RMS(OBS, PRED)" N 41 3.122 1
31 1 6 1 "RMS(OBS, PRED)" C 42 3.234 1
32 1 6 1 "RMS(OBS, PRED)" CA 45 1.171 1
33 1 6 1 "RMS(OBS, PRED)" CB 41 1.922 1
34 1 6 1 "RMS(OBS, PRED)" H 41 0.707 1
35 1 6 1 "RMS(OBS, PRED)" HA 49 0.441 1
36 1 6 1 "RMS(OBS, PRED)" N 41 3.493 1
37 1 7 1 "RMS(OBS, PRED)" C 42 3.118 1
38 1 7 1 "RMS(OBS, PRED)" CA 45 0.933 1
39 1 7 1 "RMS(OBS, PRED)" CB 41 1.726 1
40 1 7 1 "RMS(OBS, PRED)" H 41 0.771 1
41 1 7 1 "RMS(OBS, PRED)" HA 49 0.411 1
42 1 7 1 "RMS(OBS, PRED)" N 41 3.602 1
43 1 8 1 "RMS(OBS, PRED)" C 42 3.073 1
44 1 8 1 "RMS(OBS, PRED)" CA 45 0.990 1
45 1 8 1 "RMS(OBS, PRED)" CB 41 1.815 1
46 1 8 1 "RMS(OBS, PRED)" H 41 0.786 1
47 1 8 1 "RMS(OBS, PRED)" HA 49 0.430 1
48 1 8 1 "RMS(OBS, PRED)" N 41 3.257 1
49 1 9 1 "RMS(OBS, PRED)" C 42 3.067 1
50 1 9 1 "RMS(OBS, PRED)" CA 45 0.955 1
51 1 9 1 "RMS(OBS, PRED)" CB 41 1.660 1
52 1 9 1 "RMS(OBS, PRED)" H 41 0.789 1
53 1 9 1 "RMS(OBS, PRED)" HA 49 0.391 1
54 1 9 1 "RMS(OBS, PRED)" N 41 3.562 1
55 1 10 1 "RMS(OBS, PRED)" C 42 3.229 1
56 1 10 1 "RMS(OBS, PRED)" CA 45 1.169 1
57 1 10 1 "RMS(OBS, PRED)" CB 41 1.812 1
58 1 10 1 "RMS(OBS, PRED)" H 41 0.792 1
59 1 10 1 "RMS(OBS, PRED)" HA 49 0.396 1
60 1 10 1 "RMS(OBS, PRED)" N 41 3.276 1
61 1 11 1 "RMS(OBS, PRED)" C 42 3.087 1
62 1 11 1 "RMS(OBS, PRED)" CA 45 0.944 1
63 1 11 1 "RMS(OBS, PRED)" CB 41 1.640 1
64 1 11 1 "RMS(OBS, PRED)" H 41 0.804 1
65 1 11 1 "RMS(OBS, PRED)" HA 49 0.388 1
66 1 11 1 "RMS(OBS, PRED)" N 41 3.349 1
67 1 12 1 "RMS(OBS, PRED)" C 42 3.158 1
68 1 12 1 "RMS(OBS, PRED)" CA 45 0.977 1
69 1 12 1 "RMS(OBS, PRED)" CB 41 1.711 1
70 1 12 1 "RMS(OBS, PRED)" H 41 0.812 1
71 1 12 1 "RMS(OBS, PRED)" HA 49 0.385 1
72 1 12 1 "RMS(OBS, PRED)" N 41 3.581 1
73 1 13 1 "RMS(OBS, PRED)" C 42 3.146 1
74 1 13 1 "RMS(OBS, PRED)" CA 45 1.130 1
75 1 13 1 "RMS(OBS, PRED)" CB 41 1.778 1
76 1 13 1 "RMS(OBS, PRED)" H 41 0.799 1
77 1 13 1 "RMS(OBS, PRED)" HA 49 0.430 1
78 1 13 1 "RMS(OBS, PRED)" N 41 3.382 1
79 1 14 1 "RMS(OBS, PRED)" C 42 3.058 1
80 1 14 1 "RMS(OBS, PRED)" CA 45 0.939 1
81 1 14 1 "RMS(OBS, PRED)" CB 41 1.721 1
82 1 14 1 "RMS(OBS, PRED)" H 41 0.796 1
83 1 14 1 "RMS(OBS, PRED)" HA 49 0.438 1
84 1 14 1 "RMS(OBS, PRED)" N 41 3.463 1
85 1 15 1 "RMS(OBS, PRED)" C 42 3.058 1
86 1 15 1 "RMS(OBS, PRED)" CA 45 1.071 1
87 1 15 1 "RMS(OBS, PRED)" CB 41 1.764 1
88 1 15 1 "RMS(OBS, PRED)" H 41 0.792 1
89 1 15 1 "RMS(OBS, PRED)" HA 49 0.422 1
90 1 15 1 "RMS(OBS, PRED)" N 41 3.676 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
1 334 . 1 1 A 34 34 MET HA H 34 4.620 4.705 -0.085 2
1 342 . 1 1 A 34 34 MET C C 34 172.400 175.190 -2.790 2
1 343 . 1 1 A 34 34 MET CA C 34 55.830 55.018 0.812 2
1 344 . 1 1 A 34 34 MET CB C 34 34.150 33.633 0.517 2
1 347 . 1 1 A 35 35 THR H H 35 8.280 8.662 -0.382 2
1 348 . 1 1 A 35 35 THR HA H 35 5.030 5.418 -0.388 2
1 353 . 1 1 A 35 35 THR C C 35 171.200 174.165 -2.965 2
1 354 . 1 1 A 35 35 THR CA C 35 60.370 60.698 -0.328 2
1 355 . 1 1 A 35 35 THR CB C 35 71.110 70.415 0.695 2
1 357 . 1 1 A 35 35 THR N N 35 116.750 117.675 -0.925 2
1 358 . 1 1 A 36 36 VAL H H 36 9.240 9.317 -0.077 2
1 359 . 1 1 A 36 36 VAL HA H 36 4.560 4.932 -0.372 2
1 367 . 1 1 A 36 36 VAL C C 36 170.520 173.788 -3.268 2
1 368 . 1 1 A 36 36 VAL CA C 36 59.740 58.952 0.788 2
1 369 . 1 1 A 36 36 VAL CB C 36 36.040 35.162 0.878 2
1 372 . 1 1 A 36 36 VAL N N 36 117.880 120.785 -2.905 2
1 373 . 1 1 A 37 37 ASP H H 37 8.330 8.807 -0.477 2
1 374 . 1 1 A 37 37 ASP HA H 37 5.470 5.322 0.148 2
1 377 . 1 1 A 37 37 ASP C C 37 173.810 175.638 -1.828 2
1 378 . 1 1 A 37 37 ASP CA C 37 53.140 53.240 -0.100 2
1 379 . 1 1 A 37 37 ASP CB C 37 40.960 42.772 -1.812 2
1 380 . 1 1 A 37 37 ASP N N 37 123.580 122.826 0.754 2
1 381 . 1 1 A 38 38 ILE H H 38 9.310 8.984 0.326 2
1 382 . 1 1 A 38 38 ILE HA H 38 5.060 5.030 0.030 2
1 392 . 1 1 A 38 38 ILE C C 38 171.700 174.225 -2.525 2
1 393 . 1 1 A 38 38 ILE CA C 38 59.260 59.244 0.016 2
1 394 . 1 1 A 38 38 ILE CB C 38 43.150 40.899 2.251 2
1 398 . 1 1 A 38 38 ILE N N 38 116.250 120.398 -4.148 2
1 399 . 1 1 A 39 39 LEU H H 39 8.840 9.159 -0.319 2
1 400 . 1 1 A 39 39 LEU HA H 39 4.830 5.150 -0.320 2
1 410 . 1 1 A 39 39 LEU C C 39 172.350 175.923 -3.573 2
1 411 . 1 1 A 39 39 LEU CA C 39 53.060 53.527 -0.467 2
1 412 . 1 1 A 39 39 LEU CB C 39 45.380 45.103 0.277 2
1 416 . 1 1 A 39 39 LEU N N 39 121.570 126.746 -5.176 2
1 417 . 1 1 A 40 40 CYS H H 40 8.460 8.693 -0.233 2
1 418 . 1 1 A 40 40 CYS HA H 40 4.390 4.561 -0.171 2
1 421 . 1 1 A 40 40 CYS C C 40 174.410 174.705 -0.295 2
1 422 . 1 1 A 40 40 CYS CA C 40 58.530 59.473 -0.943 2
1 423 . 1 1 A 40 40 CYS CB C 40 33.410 27.981 5.429 2
1 424 . 1 1 A 40 40 CYS N N 40 127.490 125.031 2.459 2
1 425 . 1 1 A 41 41 ASN H H 41 9.280 9.050 0.230 2
1 426 . 1 1 A 41 41 ASN HA H 41 4.620 4.702 -0.082 2
1 431 . 1 1 A 41 41 ASN C C 41 172.280 176.109 -3.829 2
1 432 . 1 1 A 41 41 ASN CA C 41 54.860 54.704 0.156 2
1 433 . 1 1 A 41 41 ASN CB C 41 38.710 39.014 -0.304 2
1 434 . 1 1 A 41 41 ASN N N 41 126.320 123.724 2.596 2
1 436 . 1 1 A 42 42 ASP H H 42 9.360 8.090 1.270 2
1 437 . 1 1 A 42 42 ASP HA H 42 4.940 4.736 0.204 2
1 440 . 1 1 A 42 42 ASP C C 42 174.400 177.570 -3.170 2
1 441 . 1 1 A 42 42 ASP CA C 42 56.650 56.171 0.479 2
1 442 . 1 1 A 42 42 ASP CB C 42 41.910 41.701 0.209 2
1 443 . 1 1 A 42 42 ASP N N 42 123.070 117.230 5.840 2
1 444 . 1 1 A 43 43 CYS H H 43 9.260 7.864 1.396 2
1 445 . 1 1 A 43 43 CYS HA H 43 4.940 4.419 0.521 2
1 448 . 1 1 A 43 43 CYS C C 43 174.140 174.494 -0.354 2
1 449 . 1 1 A 43 43 CYS CA C 43 58.590 58.665 -0.075 2
1 450 . 1 1 A 43 43 CYS CB C 43 31.960 27.780 4.180 2
1 451 . 1 1 A 43 43 CYS N N 43 121.590 114.706 6.884 2
1 452 . 1 1 A 44 44 ASN H H 44 7.650 8.044 -0.394 2
1 453 . 1 1 A 44 44 ASN HA H 44 4.770 4.490 0.280 2
1 458 . 1 1 A 44 44 ASN C C 44 171.350 174.195 -2.845 2
1 459 . 1 1 A 44 44 ASN CA C 44 55.450 54.510 0.940 2
1 460 . 1 1 A 44 44 ASN CB C 44 37.970 36.902 1.068 2
1 461 . 1 1 A 44 44 ASN N N 44 118.000 116.671 1.329 2
1 463 . 1 1 A 45 45 GLY H H 45 9.220 8.019 1.201 2
1 464 . 1 1 A 45 45 GLY HA2 H 45 4.210 4.160 0.050 2
1 465 . 1 1 A 45 45 GLY HA3 H 45 3.510 4.162 -0.652 2
1 466 . 1 1 A 45 45 GLY C C 45 170.730 172.721 -1.991 2
1 467 . 1 1 A 45 45 GLY CA C 45 44.130 44.634 -0.504 2
1 468 . 1 1 A 45 45 GLY N N 45 111.320 107.200 4.120 2
1 469 . 1 1 A 46 46 ARG H H 46 8.600 8.739 -0.139 2
1 470 . 1 1 A 46 46 ARG HA H 46 5.420 5.466 -0.046 2
1 477 . 1 1 A 46 46 ARG C C 46 172.900 175.145 -2.245 2
1 478 . 1 1 A 46 46 ARG CA C 46 54.460 55.268 -0.808 2
1 479 . 1 1 A 46 46 ARG CB C 46 32.270 32.369 -0.099 2
1 482 . 1 1 A 46 46 ARG N N 46 124.920 120.358 4.562 2
1 483 . 1 1 A 47 47 SER H H 47 8.350 8.658 -0.308 2
1 484 . 1 1 A 47 47 SER HA H 47 4.790 5.025 -0.235 2
1 487 . 1 1 A 47 47 SER C C 47 170.830 172.869 -2.039 2
1 488 . 1 1 A 47 47 SER CA C 47 57.720 57.620 0.100 2
1 489 . 1 1 A 47 47 SER CB C 47 66.390 65.840 0.550 2
1 490 . 1 1 A 47 47 SER N N 47 115.750 117.047 -1.297 2
1 491 . 1 1 A 48 48 THR H H 48 8.570 8.822 -0.252 2
1 492 . 1 1 A 48 48 THR HA H 48 5.210 4.813 0.397 2
1 497 . 1 1 A 48 48 THR C C 48 171.920 174.282 -2.362 2
1 498 . 1 1 A 48 48 THR CA C 48 62.350 62.385 -0.035 2
1 499 . 1 1 A 48 48 THR CB C 48 70.320 68.856 1.464 2
1 501 . 1 1 A 48 48 THR N N 48 120.420 122.094 -1.674 2
1 502 . 1 1 A 49 49 VAL H H 49 9.020 8.785 0.235 2
1 503 . 1 1 A 49 49 VAL HA H 49 4.800 5.038 -0.238 2
1 511 . 1 1 A 49 49 VAL C C 49 171.700 174.955 -3.255 2
1 512 . 1 1 A 49 49 VAL CA C 49 58.540 58.932 -0.392 2
1 513 . 1 1 A 49 49 VAL CB C 49 36.420 35.516 0.904 2
1 516 . 1 1 A 49 49 VAL N N 49 119.320 120.089 -0.769 2
1 517 . 1 1 A 50 50 GLN H H 50 8.320 8.323 -0.003 2
1 518 . 1 1 A 50 50 GLN HA H 50 4.450 4.638 -0.188 2
1 525 . 1 1 A 50 50 GLN C C 50 173.270 175.905 -2.635 2
1 526 . 1 1 A 50 50 GLN CA C 50 55.860 56.058 -0.198 2
1 527 . 1 1 A 50 50 GLN CB C 50 29.250 29.311 -0.061 2
1 529 . 1 1 A 50 50 GLN N N 50 119.390 121.137 -1.747 2
1 531 . 1 1 A 51 51 PHE H H 51 8.690 8.813 -0.123 2
1 532 . 1 1 A 51 51 PHE HA H 51 4.430 4.683 -0.253 2
1 539 . 1 1 A 51 51 PHE C C 51 171.970 174.406 -2.436 2
1 540 . 1 1 A 51 51 PHE CA C 51 58.850 58.105 0.745 2
1 541 . 1 1 A 51 51 PHE CB C 51 40.100 39.264 0.836 2
1 546 . 1 1 A 51 51 PHE N N 51 125.010 124.306 0.704 2
1 547 . 1 1 A 52 52 HIS H H 52 6.480 8.308 -1.828 2
1 548 . 1 1 A 52 52 HIS HA H 52 4.100 4.850 -0.750 2
1 553 . 1 1 A 52 52 HIS CA C 52 57.230 54.795 2.435 2
1 554 . 1 1 A 52 52 HIS CB C 52 34.130 31.487 2.643 2
1 557 . 1 1 A 52 52 HIS N N 52 126.100 127.225 -1.125 2
1 558 . 1 1 A 53 53 ILE HA H 53 3.760 3.356 0.404 2
1 568 . 1 1 A 53 53 ILE CA C 53 62.780 64.123 -1.343 2
1 569 . 1 1 A 53 53 ILE CB C 53 38.920 37.310 1.610 2
1 573 . 1 1 A 54 54 LEU HA H 54 4.370 4.188 0.182 2
1 583 . 1 1 A 54 54 LEU C C 54 174.460 176.164 -1.704 2
1 584 . 1 1 A 54 54 LEU CA C 54 55.430 54.507 0.923 2
1 585 . 1 1 A 54 54 LEU CB C 54 41.760 42.048 -0.288 2
1 589 . 1 1 A 55 55 GLY H H 55 7.100 7.052 0.048 2
1 590 . 1 1 A 55 55 GLY HA2 H 55 4.280 3.968 0.312 2
1 591 . 1 1 A 55 55 GLY HA3 H 55 3.760 4.106 -0.346 2
1 592 . 1 1 A 55 55 GLY C C 55 182.880 173.243 9.637 2
1 593 . 1 1 A 55 55 GLY CA C 55 45.070 44.704 0.366 2
1 594 . 1 1 A 55 55 GLY N N 55 106.000 107.133 -1.133 2
1 595 . 1 1 A 56 56 MET H H 56 8.650 8.698 -0.048 2
1 596 . 1 1 A 56 56 MET HA H 56 4.500 4.874 -0.374 2
1 604 . 1 1 A 56 56 MET C C 56 170.320 175.610 -5.290 2
1 605 . 1 1 A 56 56 MET CA C 56 55.110 55.308 -0.198 2
1 606 . 1 1 A 56 56 MET CB C 56 35.270 33.147 2.123 2
1 609 . 1 1 A 56 56 MET N N 56 120.630 122.673 -2.043 2
1 610 . 1 1 A 57 57 LYS H H 57 7.850 8.686 -0.836 2
1 611 . 1 1 A 57 57 LYS HA H 57 3.520 4.700 -1.180 2
1 620 . 1 1 A 57 57 LYS C C 57 172.230 175.971 -3.741 2
1 621 . 1 1 A 57 57 LYS CA C 57 54.850 55.224 -0.374 2
1 622 . 1 1 A 57 57 LYS CB C 57 33.420 34.092 -0.672 2
1 626 . 1 1 A 57 57 LYS N N 57 125.140 124.495 0.645 2
1 627 . 1 1 A 58 58 CYS H H 58 8.680 8.428 0.252 2
1 628 . 1 1 A 58 58 CYS HA H 58 3.630 4.471 -0.841 2
1 631 . 1 1 A 58 58 CYS C C 58 175.080 175.920 -0.840 2
1 632 . 1 1 A 58 58 CYS CA C 58 60.100 59.651 0.449 2
1 633 . 1 1 A 58 58 CYS CB C 58 30.620 28.330 2.290 2
1 634 . 1 1 A 58 58 CYS N N 58 126.470 125.486 0.984 2
1 635 . 1 1 A 59 59 LYS H H 59 7.450 8.890 -1.440 2
1 636 . 1 1 A 59 59 LYS HA H 59 4.020 4.448 -0.428 2
1 645 . 1 1 A 59 59 LYS C C 59 173.460 177.571 -4.111 2
1 646 . 1 1 A 59 59 LYS CA C 59 57.850 57.317 0.533 2
1 647 . 1 1 A 59 59 LYS CB C 59 33.080 32.251 0.829 2
1 651 . 1 1 A 59 59 LYS N N 59 128.510 127.994 0.516 2
1 652 . 1 1 A 60 60 ILE H H 60 9.120 7.539 1.581 2
1 653 . 1 1 A 60 60 ILE HA H 60 3.840 4.032 -0.192 2
1 663 . 1 1 A 60 60 ILE C C 60 174.920 177.553 -2.633 2
1 664 . 1 1 A 60 60 ILE CA C 60 63.990 63.315 0.675 2
1 665 . 1 1 A 60 60 ILE CB C 60 38.510 39.055 -0.545 2
1 669 . 1 1 A 60 60 ILE N N 60 122.830 118.273 4.557 2
1 670 . 1 1 A 61 61 CYS H H 61 8.900 7.750 1.150 2
1 671 . 1 1 A 61 61 CYS HA H 61 4.960 4.557 0.403 2
1 674 . 1 1 A 61 61 CYS C C 61 173.530 175.183 -1.653 2
1 675 . 1 1 A 61 61 CYS CA C 61 58.750 58.241 0.509 2
1 676 . 1 1 A 61 61 CYS CB C 61 32.740 29.629 3.111 2
1 677 . 1 1 A 61 61 CYS N N 61 120.650 115.825 4.825 2
1 678 . 1 1 A 62 62 GLU H H 62 7.240 7.969 -0.729 2
1 679 . 1 1 A 62 62 GLU HA H 62 3.830 4.044 -0.214 2
1 684 . 1 1 A 62 62 GLU C C 62 170.720 174.229 -3.509 2
1 685 . 1 1 A 62 62 GLU CA C 62 58.960 57.468 1.492 2
1 686 . 1 1 A 62 62 GLU CB C 62 26.790 27.102 -0.312 2
1 688 . 1 1 A 62 62 GLU N N 62 114.650 116.559 -1.909 2
1 689 . 1 1 A 63 63 SER H H 63 8.130 7.535 0.595 2
1 690 . 1 1 A 63 63 SER HA H 63 4.390 4.717 -0.327 2
1 693 . 1 1 A 63 63 SER CA C 63 58.130 56.438 1.692 2
1 694 . 1 1 A 63 63 SER CB C 63 64.180 65.015 -0.835 2
1 695 . 1 1 A 63 63 SER N N 63 114.690 113.810 0.880 2
1 696 . 1 1 A 64 64 TYR HA H 64 4.610 4.800 -0.190 2
1 703 . 1 1 A 64 64 TYR C C 64 174.140 175.684 -1.544 2
1 704 . 1 1 A 64 64 TYR CA C 64 59.030 58.136 0.894 2
1 705 . 1 1 A 64 64 TYR CB C 64 38.350 38.894 -0.544 2
1 710 . 1 1 A 65 65 ASN H H 65 9.410 7.370 2.040 2
1 711 . 1 1 A 65 65 ASN HA H 65 5.010 4.698 0.312 2
1 716 . 1 1 A 65 65 ASN C C 65 170.800 173.889 -3.089 2
1 717 . 1 1 A 65 65 ASN CA C 65 51.730 52.499 -0.769 2
1 718 . 1 1 A 65 65 ASN CB C 65 35.880 37.658 -1.778 2
1 719 . 1 1 A 65 65 ASN N N 65 124.590 119.828 4.762 2
1 721 . 1 1 A 66 66 THR H H 66 8.040 8.197 -0.157 2
1 722 . 1 1 A 66 66 THR HA H 66 4.960 5.150 -0.190 2
1 727 . 1 1 A 66 66 THR C C 66 169.060 172.841 -3.781 2
1 728 . 1 1 A 66 66 THR CA C 66 58.650 59.933 -1.283 2
1 729 . 1 1 A 66 66 THR CB C 66 72.830 72.458 0.372 2
1 731 . 1 1 A 66 66 THR N N 66 110.130 115.879 -5.749 2
1 732 . 1 1 A 67 67 ALA H H 67 8.560 9.059 -0.499 2
1 733 . 1 1 A 67 67 ALA HA H 67 4.690 5.192 -0.502 2
1 737 . 1 1 A 67 67 ALA C C 67 173.640 175.931 -2.291 2
1 738 . 1 1 A 67 67 ALA CA C 67 51.070 50.179 0.891 2
1 739 . 1 1 A 67 67 ALA CB C 67 22.560 22.296 0.264 2
1 740 . 1 1 A 67 67 ALA N N 67 120.400 123.884 -3.484 2
1 741 . 1 1 A 68 68 GLN H H 68 8.910 8.571 0.339 2
1 742 . 1 1 A 68 68 GLN HA H 68 4.380 4.470 -0.090 2
1 749 . 1 1 A 68 68 GLN C C 68 173.320 175.695 -2.375 2
1 750 . 1 1 A 68 68 GLN CA C 68 57.610 56.090 1.520 2
1 751 . 1 1 A 68 68 GLN CB C 68 29.250 29.295 -0.045 2
1 753 . 1 1 A 68 68 GLN N N 68 120.570 121.858 -1.288 2
1 755 . 1 1 A 69 69 ALA H H 69 8.920 8.560 0.360 2
1 756 . 1 1 A 69 69 ALA HA H 69 4.370 4.402 -0.032 2
1 760 . 1 1 A 69 69 ALA C C 69 174.630 177.709 -3.079 2
1 761 . 1 1 A 69 69 ALA CA C 69 52.080 52.514 -0.434 2
1 762 . 1 1 A 69 69 ALA CB C 69 19.750 19.343 0.407 2
1 763 . 1 1 A 69 69 ALA N N 69 128.720 128.658 0.062 2
1 764 . 1 1 A 70 70 GLY H H 70 8.330 8.372 -0.042 2
1 765 . 1 1 A 70 70 GLY HA2 H 70 4.000 4.041 -0.041 2
1 766 . 1 1 A 70 70 GLY HA3 H 70 4.000 4.042 -0.042 2
1 767 . 1 1 A 70 70 GLY C C 70 171.580 174.183 -2.603 2
1 768 . 1 1 A 70 70 GLY CA C 70 45.200 45.870 -0.670 2
1 769 . 1 1 A 70 70 GLY N N 70 108.440 109.036 -0.596 2
1 770 . 1 1 A 71 71 GLY H H 71 8.330 8.306 0.024 2
1 771 . 1 1 A 71 71 GLY HA2 H 71 3.940 4.028 -0.088 2
1 772 . 1 1 A 71 71 GLY HA3 H 71 3.940 4.030 -0.090 2
1 773 . 1 1 A 71 71 GLY C C 71 171.150 173.050 -1.900 2
1 774 . 1 1 A 71 71 GLY CA C 71 45.170 45.939 -0.769 2
1 775 . 1 1 A 71 71 GLY N N 71 108.430 109.467 -1.037 2
1 776 . 1 1 A 72 72 ARG H H 72 8.210 8.281 -0.071 2
1 777 . 1 1 A 72 72 ARG HA H 72 4.340 4.683 -0.343 2
1 784 . 1 1 A 72 72 ARG C C 72 173.350 175.001 -1.651 2
1 785 . 1 1 A 72 72 ARG CA C 72 55.700 55.220 0.480 2
1 786 . 1 1 A 72 72 ARG CB C 72 30.900 31.800 -0.900 2
1 789 . 1 1 A 72 72 ARG N N 72 120.590 122.201 -1.611 2
1 790 . 1 1 A 73 73 ARG H H 73 8.450 8.873 -0.423 2
1 791 . 1 1 A 73 73 ARG HA H 73 4.350 4.763 -0.413 2
1 798 . 1 1 A 73 73 ARG C C 73 173.200 175.153 -1.953 2
1 799 . 1 1 A 73 73 ARG CA C 73 55.560 55.369 0.191 2
1 800 . 1 1 A 73 73 ARG CB C 73 30.690 31.498 -0.808 2
1 803 . 1 1 A 73 73 ARG N N 73 123.800 125.124 -1.324 2
1 804 . 1 1 A 74 74 ILE H H 74 8.360 8.659 -0.299 2
1 805 . 1 1 A 74 74 ILE HA H 74 4.160 4.659 -0.499 2
1 815 . 1 1 A 74 74 ILE C C 74 173.230 175.112 -1.882 2
1 816 . 1 1 A 74 74 ILE CA C 74 61.030 60.148 0.882 2
1 817 . 1 1 A 74 74 ILE CB C 74 38.920 39.506 -0.586 2
1 821 . 1 1 A 74 74 ILE N N 74 123.330 125.523 -2.193 2
1 822 . 1 1 A 75 75 SER H H 75 8.340 8.798 -0.458 2
1 823 . 1 1 A 75 75 SER HA H 75 4.450 4.681 -0.231 2
1 826 . 1 1 A 75 75 SER C C 75 171.620 173.533 -1.913 2
1 827 . 1 1 A 75 75 SER CA C 75 57.890 58.301 -0.411 2
1 828 . 1 1 A 75 75 SER CB C 75 64.000 63.172 0.828 2
1 829 . 1 1 A 75 75 SER N N 75 119.950 122.382 -2.432 2
1 830 . 1 1 A 76 76 LEU H H 76 8.400 8.473 -0.073 2
1 831 . 1 1 A 76 76 LEU HA H 76 4.300 4.822 -0.522 2
1 840 . 1 1 A 76 76 LEU C C 76 173.730 175.313 -1.583 2
1 841 . 1 1 A 76 76 LEU CA C 76 55.510 53.936 1.574 2
1 842 . 1 1 A 76 76 LEU CB C 76 42.290 44.049 -1.759 2
1 845 . 1 1 A 76 76 LEU N N 76 124.860 125.542 -0.682 2
1 846 . 1 1 A 77 77 ASP H H 77 8.240 8.808 -0.568 2
1 847 . 1 1 A 77 77 ASP HA H 77 4.530 4.928 -0.398 2
1 850 . 1 1 A 77 77 ASP C C 77 173.190 175.521 -2.331 2
1 851 . 1 1 A 77 77 ASP CA C 77 54.540 53.707 0.833 2
1 852 . 1 1 A 77 77 ASP CB C 77 41.250 41.418 -0.168 2
1 853 . 1 1 A 77 77 ASP N N 77 119.920 125.593 -5.673 2
1 854 . 1 1 A 78 78 GLN H H 78 8.120 8.344 -0.224 2
1 855 . 1 1 A 78 78 GLN HA H 78 4.310 4.626 -0.316 2
1 862 . 1 1 A 78 78 GLN C C 78 171.810 175.161 -3.351 2
1 863 . 1 1 A 78 78 GLN CA C 78 55.450 55.619 -0.169 2
1 864 . 1 1 A 78 78 GLN CB C 78 29.920 30.429 -0.509 2
1 866 . 1 1 A 78 78 GLN N N 78 120.080 121.495 -1.415 2
stop_
save_