data_nef_c17519_2lab save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 17518 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 530 GLY start . false 2 A 531 GLY middle . false 3 A 532 THR middle . . 4 A 533 THR middle . . 5 A 534 ASN middle . . 6 A 535 LYS middle . . 7 A 536 VAL middle . . 8 A 537 THR middle . . 9 A 538 VAL middle . . 10 A 539 TYR middle . . 11 A 540 TYR middle . . 12 A 541 LYS middle . . 13 A 542 LYS middle . . 14 A 543 GLY middle . true 15 A 544 PHE middle . . 16 A 545 ASN middle . . 17 A 546 SER middle . . 18 A 547 PRO middle . false 19 A 548 TYR middle . . 20 A 549 ILE middle . . 21 A 550 HIS middle . . 22 A 551 TYR middle . . 23 A 552 ARG middle . . 24 A 553 PRO middle . false 25 A 554 ALA middle . . 26 A 555 GLY middle . false 27 A 556 GLY middle . false 28 A 557 SER middle . . 29 A 558 TRP middle . . 30 A 559 THR middle . . 31 A 560 ALA middle . . 32 A 561 ALA middle . . 33 A 562 PRO middle . true 34 A 563 GLY middle . false 35 A 564 VAL middle . . 36 A 565 LYS middle . . 37 A 566 MET middle . . 38 A 567 GLN middle . . 39 A 568 ASP middle . . 40 A 569 ALA middle . . 41 A 570 GLU middle . . 42 A 571 ILE middle . . 43 A 572 SER middle . . 44 A 573 GLY middle . false 45 A 574 TYR middle . . 46 A 575 ALA middle . . 47 A 576 LYS middle . . 48 A 577 ILE middle . . 49 A 578 THR middle . . 50 A 579 VAL middle . . 51 A 580 ASP middle . . 52 A 581 ILE middle . . 53 A 582 GLY middle . false 54 A 583 SER middle . . 55 A 584 ALA middle . . 56 A 585 SER middle . . 57 A 586 GLN middle . . 58 A 587 LEU middle . . 59 A 588 GLU middle . . 60 A 589 ALA middle . . 61 A 590 ALA middle . . 62 A 591 PHE middle . . 63 A 592 ASN middle . . 64 A 593 ASP middle . . 65 A 594 GLY middle . false 66 A 595 ASN middle . . 67 A 596 ASN middle . . 68 A 597 ASN middle . . 69 A 598 TRP middle . . 70 A 599 ASP middle . . 71 A 600 SER middle . . 72 A 601 ASN middle . . 73 A 602 ASN middle . . 74 A 603 THR middle . . 75 A 604 LYS middle . . 76 A 605 ASN middle . . 77 A 606 TYR middle . . 78 A 607 LEU middle . . 79 A 608 PHE middle . . 80 A 609 SER middle . . 81 A 610 THR middle . . 82 A 611 GLY middle . false 83 A 612 THR middle . . 84 A 613 SER middle . . 85 A 614 THR middle . . 86 A 615 TYR middle . . 87 A 616 THR middle . . 88 A 617 PRO middle . false 89 A 618 GLY middle . false 90 A 619 SER middle . . 91 A 620 ASN middle . . 92 A 621 GLY middle . false 93 A 622 ALA middle . . 94 A 623 ALA middle . . 95 A 624 GLY middle . false 96 A 625 THR middle . . 97 A 626 ILE middle . . 98 A 627 ARG middle . . 99 A 628 THR middle . . 100 A 629 GLY middle . false 101 A 630 ALA middle . . 102 A 631 PRO middle . false 103 A 632 SER middle . . 104 A 633 GLY end . false stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 530 GLY H1 H 1 8.561 0.004 A 530 GLY HA2 H 1 4.077 0.002 A 530 GLY HA3 H 1 4.031 0.002 A 530 GLY CA C 13 44.997 0.038 A 530 GLY N N 15 110.527 0.017 A 531 GLY C C 13 174.309 0 A 531 GLY CA C 13 45.176 0 A 532 THR H H 1 8.14 0.041 A 532 THR HA H 1 4.429 0.004 A 532 THR HB H 1 4.188 0.009 A 532 THR HG2% H 1 1.175 0.001 A 532 THR C C 13 174.43 0 A 532 THR CA C 13 61.577 0.065 A 532 THR CB C 13 69.849 0.057 A 532 THR CG2 C 13 21.472 0.024 A 532 THR N N 15 113.802 0.106 A 533 THR H H 1 8.019 0.018 A 533 THR HA H 1 4.35 0.003 A 533 THR HB H 1 4.415 0.002 A 533 THR HG2% H 1 1.139 0 A 533 THR C C 13 173.831 0 A 533 THR CA C 13 60.266 0.062 A 533 THR CB C 13 69.788 0.08 A 533 THR CG2 C 13 22.031 0 A 533 THR N N 15 115.407 0.067 A 534 ASN H H 1 8.863 0.003 A 534 ASN HA H 1 4.836 0.006 A 534 ASN HB2 H 1 2.922 0.008 A 534 ASN HB3 H 1 2.556 0.006 A 534 ASN HD21 H 1 7.567 0 A 534 ASN HD22 H 1 6.728 0 A 534 ASN C C 13 174.057 0 A 534 ASN CA C 13 52.686 0.061 A 534 ASN CB C 13 39.156 0.039 A 534 ASN N N 15 121.822 0.031 A 534 ASN ND2 N 15 113.701 0.021 A 535 LYS H H 1 8.347 0.006 A 535 LYS HA H 1 5.185 0.006 A 535 LYS HBy H 1 1.646 0.002 A 535 LYS HBx H 1 1.459 0.005 A 535 LYS HDx H 1 1.467 0.006 A 535 LYS HEx H 1 2.858 0.008 A 535 LYS HGy H 1 1.328 0.004 A 535 LYS HGx H 1 1.272 0.002 A 535 LYS C C 13 175.924 0 A 535 LYS CA C 13 54.531 0.041 A 535 LYS CB C 13 36.016 0.022 A 535 LYS CD C 13 28.931 0.026 A 535 LYS CE C 13 42.167 0 A 535 LYS CG C 13 25.581 0.006 A 535 LYS N N 15 119.369 0.031 A 536 VAL H H 1 8.828 0.001 A 536 VAL HA H 1 4.573 0.008 A 536 VAL HB H 1 1.644 0.003 A 536 VAL HGx% H 1 0.708 0.001 A 536 VAL C C 13 174.602 0 A 536 VAL CA C 13 61.145 0.012 A 536 VAL CB C 13 34.773 0.037 A 536 VAL N N 15 123.112 0.034 A 537 THR H H 1 8.914 0.003 A 537 THR HA H 1 5.396 0.003 A 537 THR HB H 1 4.131 0.001 A 537 THR HG2% H 1 0.991 0.007 A 537 THR C C 13 173.129 0 A 537 THR CA C 13 61.611 0.025 A 537 THR CB C 13 70.113 0.034 A 537 THR CG2 C 13 21.342 0.005 A 537 THR N N 15 125.255 0.041 A 538 VAL H H 1 8.585 0.002 A 538 VAL HA H 1 4.534 0.003 A 538 VAL HB H 1 1.509 0.004 A 538 VAL HG1% H 1 0.542 0.001 A 538 VAL HG2% H 1 -0.058 0.007 A 538 VAL C C 13 175.565 0 A 538 VAL CA C 13 60.879 0.018 A 538 VAL CB C 13 35.179 0.026 A 538 VAL CG1 C 13 21.089 0.003 A 538 VAL CG2 C 13 19.723 0.029 A 538 VAL N N 15 126.696 0.052 A 539 TYR H H 1 9.111 0.001 A 539 TYR HA H 1 5.258 0.008 A 539 TYR HB2 H 1 3.349 0.008 A 539 TYR HB3 H 1 2.587 0.011 A 539 TYR HDx H 1 6.891 0.001 A 539 TYR HEx H 1 6.602 0 A 539 TYR C C 13 174.309 0 A 539 TYR CA C 13 57.266 0.017 A 539 TYR CB C 13 40.41 0.025 A 539 TYR CDx C 13 133.132 0.025 A 539 TYR CEx C 13 118.029 0.025 A 539 TYR N N 15 124.488 0.044 A 540 TYR H H 1 9.58 0.001 A 540 TYR HA H 1 5.026 0.005 A 540 TYR HB2 H 1 2.702 0.002 A 540 TYR HB3 H 1 2.272 0.005 A 540 TYR HDx H 1 6.161 0.002 A 540 TYR HEx H 1 6.486 0 A 540 TYR C C 13 173.346 0 A 540 TYR CA C 13 56.602 0.026 A 540 TYR CB C 13 42.958 0.018 A 540 TYR CDx C 13 133.685 0.012 A 540 TYR CEx C 13 116.791 0.025 A 540 TYR N N 15 125.848 0.043 A 541 LYS H H 1 8.406 0.002 A 541 LYS HA H 1 3.452 0.004 A 541 LYS HB2 H 1 1.678 0.005 A 541 LYS HB3 H 1 1.325 0.014 A 541 LYS HD2 H 1 1.688 0.012 A 541 LYS HD3 H 1 1.311 0.012 A 541 LYS HEx H 1 2.785 0.009 A 541 LYS HG2 H 1 0.92 0.005 A 541 LYS HG3 H 1 0.379 0.002 A 541 LYS C C 13 172.904 0 A 541 LYS CA C 13 55.715 0.017 A 541 LYS CB C 13 33.097 0.011 A 541 LYS CD C 13 32.658 0.001 A 541 LYS CE C 13 42.285 0.003 A 541 LYS CG C 13 25.204 0.006 A 541 LYS N N 15 131.489 0.042 A 542 LYS H H 1 7.515 0.001 A 542 LYS HA H 1 3.938 0.004 A 542 LYS HBx H 1 1.452 0.004 A 542 LYS HD2 H 1 1.878 0.002 A 542 LYS HD3 H 1 1.559 0.003 A 542 LYS HE2 H 1 2.78 0.009 A 542 LYS HE3 H 1 2.687 0.008 A 542 LYS HG2 H 1 1.682 0.003 A 542 LYS HG3 H 1 1.311 0.006 A 542 LYS C C 13 180.078 0 A 542 LYS CA C 13 52.436 0.029 A 542 LYS CB C 13 31.605 0.072 A 542 LYS CD C 13 30.599 0.018 A 542 LYS CE C 13 42.678 0.017 A 542 LYS CG C 13 26.219 0 A 542 LYS N N 15 125.132 0.015 A 543 GLY H H 1 7.629 0.004 A 543 GLY HA2 H 1 4.439 0.003 A 543 GLY HA3 H 1 3.775 0 A 543 GLY C C 13 174.151 0 A 543 GLY CA C 13 46.29 0.063 A 543 GLY N N 15 112.724 0.02 A 544 PHE H H 1 8.557 0.005 A 544 PHE HA H 1 4.722 0.009 A 544 PHE HDy H 1 7.203 0.003 A 544 PHE HEy H 1 7.017 0.002 A 544 PHE C C 13 175.876 0 A 544 PHE CA C 13 57.11 0.009 A 544 PHE CB C 13 38.391 0.016 A 544 PHE CDy C 13 131.529 0 A 544 PHE CEy C 13 130.683 0 A 544 PHE N N 15 121.583 0.025 A 545 ASN H H 1 8.561 0.003 A 545 ASN HA H 1 4.464 0.008 A 545 ASN HB2 H 1 2.853 0.002 A 545 ASN HB3 H 1 2.823 0.012 A 545 ASN HD21 H 1 7.735 0 A 545 ASN HD22 H 1 7.074 0 A 545 ASN C C 13 176.289 0 A 545 ASN CA C 13 56.42 0.047 A 545 ASN CB C 13 39.263 0.045 A 545 ASN N N 15 117.559 0.039 A 545 ASN ND2 N 15 114.178 0.001 A 546 SER HA H 1 4.862 0.009 A 546 SER HBx H 1 3.773 0.005 A 546 SER CA C 13 53.586 0.006 A 546 SER CB C 13 63.708 0.008 A 546 SER N N 15 112.901 0.034 A 547 PRO HA H 1 4.593 0.002 A 547 PRO HB2 H 1 1.715 0.01 A 547 PRO HB3 H 1 1.314 0.004 A 547 PRO HD2 H 1 3.613 0.007 A 547 PRO HD3 H 1 3.551 0.011 A 547 PRO HGx H 1 1.819 0.007 A 547 PRO C C 13 175.806 0 A 547 PRO CA C 13 62.521 0.017 A 547 PRO CB C 13 32.663 0.029 A 547 PRO CD C 13 48.962 0.003 A 547 PRO CG C 13 27.977 0 A 548 TYR H H 1 9.141 0.002 A 548 TYR HA H 1 4.877 0.009 A 548 TYR HBy H 1 2.605 0.004 A 548 TYR HBx H 1 2.353 0.006 A 548 TYR HDx H 1 6.682 0 A 548 TYR HEx H 1 6.605 0.002 A 548 TYR C C 13 174.66 0 A 548 TYR CA C 13 56.66 0.035 A 548 TYR CB C 13 40.462 0.012 A 548 TYR CDx C 13 132.466 0 A 548 TYR CEx C 13 117.258 0.035 A 548 TYR N N 15 122.23 0.052 A 549 ILE HA H 1 5.072 0.005 A 549 ILE HB H 1 2.061 0.004 A 549 ILE HD1% H 1 0.458 0.002 A 549 ILE HG12 H 1 1.07 0.007 A 549 ILE HG13 H 1 1.208 0.02 A 549 ILE HG2% H 1 1.185 0.005 A 549 ILE C C 13 171.422 0 A 549 ILE CA C 13 58.429 0.022 A 549 ILE CB C 13 41.756 0.04 A 549 ILE CD1 C 13 12.602 0.014 A 549 ILE CG1 C 13 28.729 0.011 A 549 ILE CG2 C 13 15.564 0.027 A 549 ILE N N 15 118.425 0.021 A 550 HIS H H 1 8.956 0.001 A 550 HIS HA H 1 5.363 0.008 A 550 HIS HBy H 1 3.193 0.005 A 550 HIS HBx H 1 2.753 0.011 A 550 HIS HD1 H 1 6.429 0.001 A 550 HIS HE1 H 1 7.862 0.002 A 550 HIS C C 13 174.988 0 A 550 HIS CA C 13 53.915 0.024 A 550 HIS CB C 13 34.774 0.027 A 550 HIS CD2 C 13 117.804 0 A 550 HIS CE1 C 13 140.416 0 A 550 HIS N N 15 133.248 0.025 A 551 TYR H H 1 8.204 0.004 A 551 TYR HA H 1 6.183 0.008 A 551 TYR HB2 H 1 2.922 0.006 A 551 TYR HB3 H 1 2.631 0.003 A 551 TYR HDy H 1 6.658 0.005 A 551 TYR HEy H 1 6.652 0.006 A 551 TYR C C 13 173.934 0 A 551 TYR CA C 13 56.668 0.02 A 551 TYR CB C 13 42.718 0.024 A 551 TYR CDy C 13 133.21 0.022 A 551 TYR CEy C 13 118.225 0 A 551 TYR N N 15 121.831 0.042 A 552 ARG H H 1 8.674 0.002 A 552 ARG HA H 1 4.762 0.008 A 552 ARG HB2 H 1 0.399 0.007 A 552 ARG HB3 H 1 0.356 0.008 A 552 ARG HD2 H 1 2.283 0.005 A 552 ARG HD3 H 1 1.125 0.01 A 552 ARG HE H 1 7.16 0 A 552 ARG HG2 H 1 0.649 0.007 A 552 ARG HG3 H 1 -0.395 0 A 552 ARG CA C 13 52.48 0.017 A 552 ARG CB C 13 32.038 0.009 A 552 ARG CD C 13 43.637 0.029 A 552 ARG CG C 13 23.1 0.018 A 552 ARG N N 15 115.619 0.033 A 552 ARG NE N 15 118.286 0 A 553 PRO HA H 1 4.556 0.002 A 553 PRO HB2 H 1 2.187 0.012 A 553 PRO HB3 H 1 1.849 0.004 A 553 PRO HD2 H 1 3.832 0.004 A 553 PRO HD3 H 1 3.652 0.007 A 553 PRO HG2 H 1 2.204 0.009 A 553 PRO HG3 H 1 1.982 0.004 A 553 PRO C C 13 176.736 0 A 553 PRO CA C 13 62.352 0.027 A 553 PRO CB C 13 31.88 0.043 A 553 PRO CD C 13 50.917 0.018 A 553 PRO CG C 13 28.263 0.014 A 554 ALA H H 1 8.293 0.001 A 554 ALA HA H 1 4.022 0.001 A 554 ALA HB% H 1 1.337 0.001 A 554 ALA C C 13 179.217 0 A 554 ALA CA C 13 54.085 0.072 A 554 ALA CB C 13 18.232 0.05 A 554 ALA N N 15 125.908 0.047 A 555 GLY H H 1 8.602 0.007 A 555 GLY HA2 H 1 4.085 0.008 A 555 GLY HA3 H 1 3.661 0.006 A 555 GLY C C 13 174.796 0 A 555 GLY CA C 13 45.641 0.007 A 555 GLY N N 15 111.766 0.013 A 556 GLY H H 1 8.494 0.002 A 556 GLY HA2 H 1 4.554 0.001 A 556 GLY HA3 H 1 3.421 0.005 A 556 GLY C C 13 173.368 0 A 556 GLY CA C 13 44.206 0.044 A 556 GLY N N 15 109.512 0.031 A 557 SER H H 1 8.681 0.007 A 557 SER HA H 1 4.69 0.003 A 557 SER HBy H 1 3.894 0.009 A 557 SER HBx H 1 3.706 0.007 A 557 SER C C 13 173.656 0 A 557 SER CA C 13 57.492 0.08 A 557 SER CB C 13 64.803 0.007 A 557 SER N N 15 117.962 0.032 A 558 TRP H H 1 8.392 0.007 A 558 TRP HA H 1 4.452 0.008 A 558 TRP HBy H 1 3.339 0.008 A 558 TRP HBx H 1 2.888 0.007 A 558 TRP HD1 H 1 7.342 0.006 A 558 TRP HE1 H 1 9.928 0.011 A 558 TRP HE3 H 1 6.778 0.023 A 558 TRP HH2 H 1 6.218 0.003 A 558 TRP HZ2 H 1 7.144 0.002 A 558 TRP HZ3 H 1 6.734 0.005 A 558 TRP C C 13 178.891 0 A 558 TRP CA C 13 58.074 0.066 A 558 TRP CB C 13 30.706 0.042 A 558 TRP CD1 C 13 126.964 0.028 A 558 TRP CE3 C 13 122.434 0.039 A 558 TRP CH2 C 13 120.408 0.006 A 558 TRP CZ2 C 13 113.555 0.009 A 558 TRP CZ3 C 13 123.886 0.02 A 558 TRP N N 15 123.928 0.033 A 558 TRP NE1 N 15 128.692 0.092 A 559 THR H H 1 7.953 0.002 A 559 THR HA H 1 4.037 0.002 A 559 THR HB H 1 4.306 0.002 A 559 THR HG2% H 1 0.685 0.001 A 559 THR C C 13 174.782 0 A 559 THR CA C 13 61.321 0.081 A 559 THR CB C 13 70.561 0.055 A 559 THR CG2 C 13 22.119 0.005 A 559 THR N N 15 111.067 0.047 A 560 ALA H H 1 8.437 0.003 A 560 ALA HA H 1 4.451 0.004 A 560 ALA HB% H 1 1.405 0.002 A 560 ALA C C 13 178.493 0 A 560 ALA CA C 13 51.914 0.092 A 560 ALA CB C 13 17.999 0.065 A 560 ALA N N 15 123.046 0.048 A 561 ALA H H 1 8.828 0.004 A 561 ALA HA H 1 3.941 0.005 A 561 ALA HB% H 1 1.079 0.001 A 561 ALA CA C 13 51.756 0.099 A 561 ALA CB C 13 16.15 0.059 A 561 ALA N N 15 129.644 0.025 A 562 PRO HA H 1 3.898 0.004 A 562 PRO HB2 H 1 1.982 0.002 A 562 PRO HB3 H 1 1.687 0.004 A 562 PRO HD2 H 1 3.529 0.008 A 562 PRO HD3 H 1 3.295 0.007 A 562 PRO HG2 H 1 1.434 0.004 A 562 PRO HG3 H 1 1.172 0.007 A 562 PRO C C 13 173.28 0 A 562 PRO CA C 13 63.439 0.129 A 562 PRO CB C 13 33.511 0.014 A 562 PRO CD C 13 50.074 0.012 A 562 PRO CG C 13 23.748 0.023 A 563 GLY H H 1 8.763 0.006 A 563 GLY HA2 H 1 5.026 0.003 A 563 GLY HA3 H 1 3.633 0.006 A 563 GLY C C 13 173.977 0 A 563 GLY CA C 13 43.949 0.032 A 563 GLY N N 15 112.224 0.043 A 564 VAL HA H 1 4.401 0.003 A 564 VAL HB H 1 2.089 0.001 A 564 VAL HG1% H 1 1.084 0.044 A 564 VAL HG2% H 1 1.093 0.05 A 564 VAL C C 13 174.734 0 A 564 VAL CA C 13 60.888 0.022 A 564 VAL CB C 13 34.901 0.034 A 564 VAL CG1 C 13 21.512 0.001 A 564 VAL CG2 C 13 21.886 0.008 A 564 VAL N N 15 123.427 0.041 A 565 LYS H H 1 8.486 0.005 A 565 LYS HA H 1 3.109 0.003 A 565 LYS HB2 H 1 1.432 0.005 A 565 LYS HB3 H 1 1.067 0.002 A 565 LYS HD2 H 1 0.957 0.004 A 565 LYS HD3 H 1 0.592 0.002 A 565 LYS HEx H 1 2.822 0.002 A 565 LYS HGx H 1 1.429 0.004 A 565 LYS C C 13 176.437 0 A 565 LYS CA C 13 57.187 0.05 A 565 LYS CB C 13 32.414 0.027 A 565 LYS CD C 13 24.95 0.01 A 565 LYS CE C 13 42.013 0.013 A 565 LYS CG C 13 28.954 0.014 A 565 LYS N N 15 128.212 0.038 A 566 MET H H 1 8.202 0.001 A 566 MET HA H 1 4.228 0.002 A 566 MET HB2 H 1 2.011 0.011 A 566 MET HB3 H 1 1.689 0.014 A 566 MET HE% H 1 1.778 0.002 A 566 MET HG2 H 1 2.463 0.005 A 566 MET HG3 H 1 2.062 0.008 A 566 MET C C 13 175.652 0 A 566 MET CA C 13 56.485 0.03 A 566 MET CB C 13 35.011 0.05 A 566 MET CE C 13 17.831 0.015 A 566 MET CG C 13 34.075 0.01 A 566 MET N N 15 124.964 0.033 A 567 GLN H H 1 8.489 0.008 A 567 GLN HA H 1 4.437 0.004 A 567 GLN HB2 H 1 2.184 0.01 A 567 GLN HB3 H 1 2.035 0.003 A 567 GLN HE21 H 1 7.479 0 A 567 GLN HE22 H 1 6.822 0 A 567 GLN HG2 H 1 2.478 0.01 A 567 GLN HG3 H 1 2.397 0.007 A 567 GLN C C 13 175.809 0 A 567 GLN CA C 13 54.822 0.016 A 567 GLN CB C 13 30.182 0.044 A 567 GLN CG C 13 33.869 0.005 A 567 GLN N N 15 121.561 0.025 A 567 GLN NE2 N 15 112.055 0.001 A 568 ASP H H 1 8.78 0.004 A 568 ASP HA H 1 4.783 0.005 A 568 ASP HB2 H 1 2.939 0.008 A 568 ASP HB3 H 1 2.61 0.007 A 568 ASP C C 13 176.715 0 A 568 ASP CA C 13 56.167 0.047 A 568 ASP CB C 13 40.239 0.026 A 568 ASP N N 15 121.881 0.057 A 569 ALA H H 1 8.463 0.002 A 569 ALA HA H 1 4.352 0.003 A 569 ALA HB% H 1 1.56 0.004 A 569 ALA C C 13 175.165 0 A 569 ALA CA C 13 50.493 0.057 A 569 ALA CB C 13 21.735 0.039 A 569 ALA N N 15 122.696 0.042 A 570 GLU H H 1 10.398 0.001 A 570 GLU HA H 1 4.351 0.003 A 570 GLU HBx H 1 2.146 0.004 A 570 GLU HG2 H 1 2.577 0.004 A 570 GLU HG3 H 1 2.205 0.007 A 570 GLU C C 13 174.683 0 A 570 GLU CA C 13 57.525 0.049 A 570 GLU CB C 13 27.231 0.026 A 570 GLU CG C 13 35.116 0.013 A 570 GLU N N 15 120.083 0.033 A 571 ILE H H 1 6.526 0.001 A 571 ILE HA H 1 4.379 0.005 A 571 ILE HB H 1 1.472 0.006 A 571 ILE HD1% H 1 0.496 0.003 A 571 ILE HG12 H 1 1.074 0.002 A 571 ILE HG13 H 1 1.3 0.005 A 571 ILE HG2% H 1 0.854 0.002 A 571 ILE C C 13 174.913 0 A 571 ILE CA C 13 58.82 0.004 A 571 ILE CB C 13 39.586 0.012 A 571 ILE CD1 C 13 12.7 0.015 A 571 ILE CG1 C 13 26.957 0.014 A 571 ILE CG2 C 13 17.547 0 A 571 ILE N N 15 119.363 0.033 A 572 SER H H 1 8.618 0.005 A 572 SER HA H 1 4.352 0.007 A 572 SER HBx H 1 3.898 0.001 A 572 SER C C 13 175.617 0 A 572 SER CA C 13 60.125 0.054 A 572 SER CB C 13 63.063 0.082 A 572 SER N N 15 121.258 0.043 A 573 GLY H H 1 8.691 0.004 A 573 GLY HA2 H 1 4.272 0.007 A 573 GLY HA3 H 1 3.713 0.007 A 573 GLY C C 13 173.828 0 A 573 GLY CA C 13 44.855 0.001 A 573 GLY N N 15 111.836 0.03 A 574 TYR H H 1 7.854 0.001 A 574 TYR HA H 1 5.761 0.004 A 574 TYR HB2 H 1 3.031 0.015 A 574 TYR HB3 H 1 3.01 0.031 A 574 TYR HDx H 1 6.891 0.003 A 574 TYR HEx H 1 6.604 0.002 A 574 TYR C C 13 175.52 0 A 574 TYR CA C 13 56.519 0.036 A 574 TYR CB C 13 41.917 0.012 A 574 TYR CDx C 13 133.15 0.011 A 574 TYR CEx C 13 118.005 0 A 574 TYR N N 15 116.297 0.045 A 575 ALA HA H 1 5.407 0.007 A 575 ALA HB% H 1 1.501 0.006 A 575 ALA C C 13 176.096 0 A 575 ALA CA C 13 50.372 0.015 A 575 ALA CB C 13 24.366 0.016 A 575 ALA N N 15 126.117 0.034 A 576 LYS HA H 1 5.71 0.003 A 576 LYS HB2 H 1 1.165 0.01 A 576 LYS HB3 H 1 1.072 0.009 A 576 LYS HD2 H 1 1.362 0.005 A 576 LYS HD3 H 1 1.169 0.008 A 576 LYS HE2 H 1 2.711 0.007 A 576 LYS HE3 H 1 2.539 0.008 A 576 LYS HG2 H 1 0.85 0.006 A 576 LYS HG3 H 1 0.597 0.002 A 576 LYS C C 13 173.794 0 A 576 LYS CA C 13 55.39 0.016 A 576 LYS CB C 13 36.941 0.013 A 576 LYS CD C 13 30.404 0.01 A 576 LYS CE C 13 41.663 0 A 576 LYS CG C 13 23.62 0.019 A 577 ILE H H 1 8.041 0.001 A 577 ILE HA H 1 4.445 0.002 A 577 ILE HB H 1 1.738 0.002 A 577 ILE HD1% H 1 0.675 0.004 A 577 ILE HG12 H 1 0.982 0.006 A 577 ILE HG13 H 1 1.654 0.009 A 577 ILE HG2% H 1 0.846 0.003 A 577 ILE C C 13 171.242 0 A 577 ILE CA C 13 60.38 0.021 A 577 ILE CB C 13 42.316 0.027 A 577 ILE CD1 C 13 15.933 0.025 A 577 ILE CG1 C 13 29.356 0.026 A 577 ILE CG2 C 13 15.133 0.02 A 577 ILE N N 15 120 0.028 A 578 THR H H 1 8.043 0.005 A 578 THR HA H 1 5.344 0.003 A 578 THR HB H 1 3.673 0.001 A 578 THR HG2% H 1 0.971 0.002 A 578 THR C C 13 173.601 0 A 578 THR CA C 13 61.849 0.07 A 578 THR CB C 13 70.593 0.053 A 578 THR CG2 C 13 21.425 0.007 A 578 THR N N 15 122.357 0.03 A 579 VAL H H 1 9.349 0.002 A 579 VAL HA H 1 4.14 0.001 A 579 VAL HB H 1 1.462 0.005 A 579 VAL HGx% H 1 0.439 0.008 A 579 VAL HGy% H 1 0.166 0.001 A 579 VAL C C 13 174.015 0 A 579 VAL CA C 13 60.252 0.024 A 579 VAL CB C 13 35.153 0.035 A 579 VAL CGy C 13 21.332 0.013 A 579 VAL CGx C 13 19.907 0.013 A 579 VAL N N 15 126.489 0.022 A 580 ASP H H 1 8.616 0.005 A 580 ASP HA H 1 4.867 0.005 A 580 ASP HBy H 1 2.912 0.007 A 580 ASP HBx H 1 2.32 0.002 A 580 ASP C C 13 176.752 0 A 580 ASP CA C 13 53.526 0.078 A 580 ASP CB C 13 41.816 0.027 A 580 ASP N N 15 126.891 0.05 A 581 ILE H H 1 8.627 0.002 A 581 ILE HA H 1 4.588 0.002 A 581 ILE HB H 1 2.126 0.005 A 581 ILE HD1% H 1 0.304 0.002 A 581 ILE HG1y H 1 1.209 0.003 A 581 ILE HG2% H 1 0.658 0.002 A 581 ILE C C 13 176.717 0 A 581 ILE CA C 13 60.101 0.028 A 581 ILE CB C 13 38.055 0.026 A 581 ILE CD1 C 13 14.741 0 A 581 ILE CG1 C 13 25.66 0.002 A 581 ILE CG2 C 13 19.485 0.009 A 581 ILE N N 15 118.893 0.022 A 582 GLY H H 1 9.075 0.002 A 582 GLY HAy H 1 3.985 0.007 A 582 GLY HAx H 1 3.712 0.009 A 582 GLY C C 13 174.442 0 A 582 GLY CA C 13 47.605 0.059 A 582 GLY N N 15 114.728 0.017 A 583 SER H H 1 8.812 0.003 A 583 SER HA H 1 4.549 0.013 A 583 SER HBy H 1 4.014 0.002 A 583 SER HBx H 1 3.879 0.007 A 583 SER C C 13 175.149 0 A 583 SER CA C 13 58.133 0.067 A 583 SER CB C 13 63.647 0.06 A 583 SER N N 15 120.404 0.029 A 584 ALA H H 1 7.82 0.001 A 584 ALA HA H 1 4.417 0.005 A 584 ALA HB% H 1 1.723 0.003 A 584 ALA C C 13 175.867 0 A 584 ALA CA C 13 52.367 0.026 A 584 ALA CB C 13 20.064 0.033 A 584 ALA N N 15 125.527 0.03 A 585 SER H H 1 8.785 0.006 A 585 SER HA H 1 4.564 0.007 A 585 SER HBx H 1 3.831 0.025 A 585 SER C C 13 173.978 0 A 585 SER CA C 13 58.22 0.054 A 585 SER CB C 13 64.962 0.043 A 585 SER N N 15 109.786 0.021 A 586 GLN H H 1 7.144 0.002 A 586 GLN HA H 1 5.148 0.006 A 586 GLN HB2 H 1 1.869 0.008 A 586 GLN HB3 H 1 1.804 0.009 A 586 GLN HE21 H 1 7.34 0 A 586 GLN HE22 H 1 6.756 0 A 586 GLN HGx H 1 2.192 0.003 A 586 GLN C C 13 172.923 0 A 586 GLN CA C 13 53.996 0.057 A 586 GLN CB C 13 34.54 0.02 A 586 GLN CG C 13 34.716 0.021 A 586 GLN N N 15 116.69 0.037 A 586 GLN NE2 N 15 112.147 0.001 A 587 LEU H H 1 9.226 0.003 A 587 LEU HA H 1 4.668 0.006 A 587 LEU HBy H 1 1.85 0.009 A 587 LEU HBx H 1 1.207 0.014 A 587 LEU HDx% H 1 0.546 0.004 A 587 LEU HDy% H 1 0.336 0.003 A 587 LEU HG H 1 1.412 0.006 A 587 LEU C C 13 173.426 0 A 587 LEU CA C 13 53.378 0.029 A 587 LEU CB C 13 47.658 0.044 A 587 LEU CD1 C 13 25.641 0.028 A 587 LEU CD2 C 13 26.088 0.032 A 587 LEU CG C 13 26.497 0.032 A 587 LEU N N 15 123.011 0.043 A 588 GLU H H 1 8.83 0.002 A 588 GLU HA H 1 5.309 0.01 A 588 GLU HB2 H 1 1.772 0.004 A 588 GLU HB3 H 1 1.574 0.004 A 588 GLU HGx H 1 2.247 0.005 A 588 GLU C C 13 175.409 0 A 588 GLU CA C 13 54.65 0.037 A 588 GLU CB C 13 32.048 0.004 A 588 GLU CG C 13 36.676 0.002 A 588 GLU N N 15 129.185 0.03 A 589 ALA H H 1 9.748 0.001 A 589 ALA HA H 1 5.903 0.006 A 589 ALA HB% H 1 1.235 0.003 A 589 ALA C C 13 174.861 0 A 589 ALA CA C 13 51.147 0.026 A 589 ALA CB C 13 24.857 0.016 A 589 ALA N N 15 126.011 0.027 A 590 ALA H H 1 9.392 0.007 A 590 ALA HA H 1 4.817 0.009 A 590 ALA HB% H 1 1.833 0.001 A 590 ALA C C 13 174.731 0 A 590 ALA CA C 13 51.128 0.013 A 590 ALA CB C 13 23.1 0.014 A 590 ALA N N 15 120.783 0.036 A 591 PHE H H 1 8.394 0.003 A 591 PHE HA H 1 6.007 0.068 A 591 PHE HBx H 1 3.247 0.009 A 591 PHE HDx H 1 7.038 0.005 A 591 PHE HEx H 1 6.372 0.003 A 591 PHE HZ H 1 6.745 0.003 A 591 PHE C C 13 175.059 0 A 591 PHE CA C 13 56.456 0.048 A 591 PHE CB C 13 43.323 0.038 A 591 PHE CDx C 13 132.39 0.008 A 591 PHE CEx C 13 130.708 0.975 A 591 PHE CZ C 13 127.156 0.034 A 591 PHE N N 15 116.572 0.036 A 592 ASN H H 1 9.117 0.002 A 592 ASN HA H 1 5.164 0.006 A 592 ASN HBx H 1 1.128 0.011 A 592 ASN HD21 H 1 7.97 0 A 592 ASN HD22 H 1 3.967 0 A 592 ASN C C 13 172.073 0 A 592 ASN CA C 13 53.727 0.026 A 592 ASN CB C 13 41.232 0.007 A 592 ASN N N 15 116.166 0.037 A 592 ASN ND2 N 15 115.998 0.004 A 593 ASP H H 1 7.558 0.005 A 593 ASP HA H 1 4.219 0.006 A 593 ASP HB2 H 1 2.854 0.003 A 593 ASP HB3 H 1 1.118 0.008 A 593 ASP C C 13 177.248 0 A 593 ASP CA C 13 52.251 0.048 A 593 ASP CB C 13 40.722 0.027 A 593 ASP N N 15 118.039 0.042 A 594 GLY H H 1 8.742 0.003 A 594 GLY HA2 H 1 3.602 0.002 A 594 GLY HA3 H 1 2.459 0.003 A 594 GLY C C 13 173.126 0 A 594 GLY CA C 13 45.529 0.036 A 594 GLY N N 15 110.622 0.043 A 595 ASN H H 1 8.424 0.004 A 595 ASN HA H 1 4.757 0.008 A 595 ASN HB2 H 1 2.756 0.003 A 595 ASN HB3 H 1 2.3 0.002 A 595 ASN HD21 H 1 7.236 0 A 595 ASN HD22 H 1 6.724 0 A 595 ASN C C 13 174.434 0 A 595 ASN CA C 13 52.167 0.051 A 595 ASN CB C 13 39.388 0.033 A 595 ASN N N 15 120.863 0.029 A 595 ASN ND2 N 15 112.752 0.001 A 596 ASN H H 1 8.744 0.006 A 596 ASN HA H 1 4.23 0.006 A 596 ASN HBy H 1 3.148 0.003 A 596 ASN HBx H 1 2.751 0.006 A 596 ASN HD2x H 1 6.883 0 A 596 ASN C C 13 173.796 0 A 596 ASN CA C 13 54.425 0.04 A 596 ASN CB C 13 38.153 0.028 A 596 ASN N N 15 113.308 0.088 A 596 ASN ND2 N 15 113.856 0 A 597 ASN H H 1 8.032 0.003 A 597 ASN HA H 1 5.118 0.009 A 597 ASN HB2 H 1 2.53 0.009 A 597 ASN HB3 H 1 2.442 0.007 A 597 ASN HD21 H 1 8.765 0 A 597 ASN HD22 H 1 6.866 0 A 597 ASN C C 13 173.474 0 A 597 ASN CA C 13 53.138 0.065 A 597 ASN CB C 13 38.622 0.006 A 597 ASN N N 15 118.418 0.039 A 597 ASN ND2 N 15 117.959 0.001 A 598 TRP H H 1 8.842 0.014 A 598 TRP HA H 1 4.856 0.007 A 598 TRP HBx H 1 3.153 0.023 A 598 TRP HD1 H 1 7.093 0.003 A 598 TRP HE1 H 1 10.121 0 A 598 TRP HE3 H 1 7.428 0.004 A 598 TRP HH2 H 1 6.025 0.008 A 598 TRP HZ2 H 1 7.109 0.001 A 598 TRP HZ3 H 1 6.806 0.002 A 598 TRP C C 13 176.22 0 A 598 TRP CA C 13 57.233 0.013 A 598 TRP CB C 13 32.219 0.033 A 598 TRP CD1 C 13 127.223 0.026 A 598 TRP CE2 C 13 120.445 0 A 598 TRP CH2 C 13 123.275 0.03 A 598 TRP CZ2 C 13 114.781 0 A 598 TRP CZ3 C 13 119.737 0 A 598 TRP N N 15 120.99 0.043 A 598 TRP NE1 N 15 131.277 0 A 599 ASP H H 1 9.831 0.002 A 599 ASP HA H 1 5.247 0.008 A 599 ASP HB2 H 1 3.413 0.008 A 599 ASP HB3 H 1 3.168 0.073 A 599 ASP CA C 13 53.246 0.034 A 599 ASP CB C 13 41.898 0.029 A 599 ASP N N 15 122.21 0.071 A 600 SER H H 1 9.328 0.018 A 600 SER HA H 1 5.141 0.019 A 600 SER CA C 13 55.907 0.006 A 600 SER N N 15 117.252 0.022 A 601 ASN H H 1 8.715 0.016 A 601 ASN HA H 1 4.429 0.004 A 601 ASN HBx H 1 2.892 0.004 A 601 ASN HD21 H 1 7.168 0 A 601 ASN HD22 H 1 6.711 0 A 601 ASN C C 13 176.895 0 A 601 ASN CA C 13 53.093 0.008 A 601 ASN CB C 13 39.15 0 A 601 ASN N N 15 123.197 0.011 A 601 ASN ND2 N 15 107.62 0.001 A 602 ASN H H 1 9.184 0.01 A 602 ASN HA H 1 4.444 0.007 A 602 ASN HB2 H 1 3.033 0.007 A 602 ASN HB3 H 1 2.789 0.008 A 602 ASN C C 13 176.304 0 A 602 ASN CA C 13 54.465 0.092 A 602 ASN CB C 13 37.277 0.051 A 602 ASN N N 15 116.099 0.05 A 603 THR H H 1 7.829 0.004 A 603 THR HA H 1 3.835 0.008 A 603 THR HB H 1 4.377 0.005 A 603 THR HG2% H 1 1.058 0.002 A 603 THR C C 13 173.186 0 A 603 THR CA C 13 65.006 0.097 A 603 THR CB C 13 69.653 0.049 A 603 THR CG2 C 13 21.686 0.008 A 603 THR N N 15 110.445 0.043 A 604 LYS H H 1 7.714 0.003 A 604 LYS HA H 1 4.137 0.003 A 604 LYS HB2 H 1 2.016 0.007 A 604 LYS HB3 H 1 1.95 0.008 A 604 LYS HD2 H 1 2.031 0.001 A 604 LYS HD3 H 1 1.953 0.004 A 604 LYS HE2 H 1 3.044 0.007 A 604 LYS HE3 H 1 2.981 0.005 A 604 LYS HG2 H 1 1.541 0.001 A 604 LYS HG3 H 1 1.482 0.002 A 604 LYS C C 13 177.262 0 A 604 LYS CA C 13 57.767 0.039 A 604 LYS CB C 13 32.376 0.009 A 604 LYS CD C 13 28.533 0.017 A 604 LYS CE C 13 41.908 0 A 604 LYS CG C 13 25.319 0.002 A 604 LYS N N 15 121.909 0.037 A 605 ASN H H 1 8.274 0.004 A 605 ASN HA H 1 3.94 0.002 A 605 ASN HB2 H 1 3.673 0.003 A 605 ASN HB3 H 1 2.892 0.011 A 605 ASN HD21 H 1 7.618 0 A 605 ASN HD22 H 1 7.01 0 A 605 ASN C C 13 171.742 0 A 605 ASN CA C 13 54.159 0.05 A 605 ASN CB C 13 39.027 0.034 A 605 ASN N N 15 108.823 0.05 A 605 ASN ND2 N 15 113.175 0.005 A 606 TYR H H 1 9.055 0.014 A 606 TYR HA H 1 4.827 0.01 A 606 TYR HBx H 1 2.696 0.016 A 606 TYR HDx H 1 7.244 0.003 A 606 TYR HEx H 1 6.957 0.002 A 606 TYR C C 13 174.468 0 A 606 TYR CA C 13 57.569 0.017 A 606 TYR CB C 13 41.555 0.012 A 606 TYR CDx C 13 132.338 0.026 A 606 TYR CEx C 13 118.777 0.014 A 606 TYR N N 15 117.628 0.055 A 607 LEU H H 1 7.983 0.006 A 607 LEU HA H 1 5.303 0.003 A 607 LEU HB2 H 1 1.566 0.006 A 607 LEU HB3 H 1 1.264 0.004 A 607 LEU HD1% H 1 0.835 0.002 A 607 LEU HD2% H 1 0.767 0.002 A 607 LEU HG H 1 1.559 0.003 A 607 LEU C C 13 175.673 0 A 607 LEU CA C 13 53.244 0.043 A 607 LEU CB C 13 43.971 0.016 A 607 LEU CD1 C 13 24.9 0.009 A 607 LEU CD2 C 13 23.611 0.017 A 607 LEU CG C 13 26.872 0.019 A 607 LEU N N 15 121.811 0.042 A 608 PHE H H 1 9.24 0.001 A 608 PHE HA H 1 4.827 0.008 A 608 PHE HB2 H 1 3.138 0.015 A 608 PHE HB3 H 1 2.699 0.006 A 608 PHE HDx H 1 7.246 0.001 A 608 PHE HEx H 1 7.184 0.006 A 608 PHE HZ H 1 7.135 0.003 A 608 PHE C C 13 175.786 0 A 608 PHE CA C 13 56.851 0.012 A 608 PHE CB C 13 42.563 0.048 A 608 PHE CDx C 13 132.351 0 A 608 PHE CEx C 13 130.735 0.01 A 608 PHE CZ C 13 128.005 0 A 608 PHE N N 15 121.39 0.029 A 609 SER H H 1 8.948 0.004 A 609 SER HA H 1 4.979 0.004 A 609 SER HBy H 1 4.12 0.004 A 609 SER HBx H 1 3.925 0.005 A 609 SER C C 13 173.269 0 A 609 SER CA C 13 57.811 0.067 A 609 SER CB C 13 64.856 0.074 A 609 SER N N 15 117.589 0.025 A 610 THR HA H 1 3.871 0.005 A 610 THR HB H 1 4.12 0.001 A 610 THR HG2% H 1 1.231 0.002 A 610 THR C C 13 174.439 0 A 610 THR CA C 13 64.353 0.092 A 610 THR CB C 13 69.421 0.052 A 610 THR CG2 C 13 22.483 0.009 A 610 THR N N 15 112.845 0.022 A 611 GLY H H 1 8.468 0.002 A 611 GLY HA2 H 1 4.669 0.006 A 611 GLY HA3 H 1 3.867 0.01 A 611 GLY C C 13 174.43 0 A 611 GLY CA C 13 43.866 0.063 A 611 GLY N N 15 112.157 0.023 A 612 THR H H 1 8.736 0.006 A 612 THR HA H 1 5.483 0.003 A 612 THR HB H 1 3.96 0.002 A 612 THR HG2% H 1 1.219 0.002 A 612 THR C C 13 174.819 0 A 612 THR CA C 13 62.563 0.071 A 612 THR CB C 13 70.093 0.071 A 612 THR CG2 C 13 22.162 0.001 A 612 THR N N 15 120.992 0.055 A 613 SER H H 1 9.051 0.002 A 613 SER HA H 1 5.489 0.006 A 613 SER HBy H 1 4.16 0.004 A 613 SER HBx H 1 3.842 0.001 A 613 SER C C 13 172.064 0 A 613 SER CA C 13 58.813 0.027 A 613 SER CB C 13 67.694 0.051 A 613 SER N N 15 122.602 0.057 A 614 THR H H 1 9.523 0.002 A 614 THR HA H 1 5.256 0.006 A 614 THR HB H 1 3.746 0.002 A 614 THR HG2% H 1 1.083 0.004 A 614 THR C C 13 173.632 0 A 614 THR CA C 13 62.724 0.033 A 614 THR CB C 13 70.908 0.039 A 614 THR CG2 C 13 21.615 0.014 A 614 THR N N 15 117.759 0.06 A 615 TYR H H 1 10.029 0.001 A 615 TYR HA H 1 5.213 0.006 A 615 TYR HB2 H 1 2.922 0.019 A 615 TYR HB3 H 1 2.855 0.009 A 615 TYR HDy H 1 6.551 0.001 A 615 TYR HEy H 1 5.831 0.003 A 615 TYR C C 13 172.999 0 A 615 TYR CA C 13 57.163 0.016 A 615 TYR CB C 13 41.569 0.025 A 615 TYR CDy C 13 132.472 0.03 A 615 TYR CEy C 13 118.135 0 A 615 TYR N N 15 131.519 0.028 A 616 THR H H 1 8.027 0.002 A 616 THR HA H 1 4.37 0.009 A 616 THR HB H 1 3.6 0.001 A 616 THR HG2% H 1 1.01 0.002 A 616 THR CA C 13 58.725 0.036 A 616 THR CB C 13 70.07 0.036 A 616 THR CG2 C 13 20.567 0.016 A 616 THR N N 15 124.674 0.038 A 617 PRO HA H 1 4.092 0.002 A 617 PRO HBx H 1 2.415 0.005 A 617 PRO HDx H 1 3.369 0.005 A 617 PRO HGx H 1 1.737 0.006 A 617 PRO C C 13 177.011 0 A 617 PRO CA C 13 62.887 0.018 A 617 PRO CB C 13 32.324 0.025 A 617 PRO CD C 13 53.127 0.017 A 617 PRO CG C 13 27.491 0.022 A 618 GLY H H 1 8.261 0.01 A 618 GLY HAy H 1 4.128 0.008 A 618 GLY HAx H 1 3.422 0.008 A 618 GLY C C 13 173.673 0 A 618 GLY CA C 13 43.996 0.056 A 618 GLY N N 15 108.881 0.023 A 619 SER H H 1 8.38 0.004 A 619 SER HA H 1 4.537 0.059 A 619 SER HBx H 1 3.72 0.007 A 619 SER C C 13 175.706 0 A 619 SER CA C 13 57.617 0.075 A 619 SER CB C 13 64.294 0.022 A 619 SER N N 15 114.743 0.041 A 620 ASN H H 1 9.296 0.008 A 620 ASN HA H 1 4.412 0.007 A 620 ASN HB2 H 1 3.035 0.007 A 620 ASN HB3 H 1 2.701 0.007 A 620 ASN HD21 H 1 7.574 0 A 620 ASN HD22 H 1 6.893 0 A 620 ASN C C 13 175.289 0 A 620 ASN CA C 13 54.353 0.048 A 620 ASN CB C 13 37.733 0.039 A 620 ASN N N 15 121.36 0.025 A 620 ASN ND2 N 15 113.047 0.002 A 621 GLY H H 1 8.528 0.005 A 621 GLY HA2 H 1 4.262 0.012 A 621 GLY HA3 H 1 3.717 0.01 A 621 GLY C C 13 174.51 0 A 621 GLY CA C 13 45.229 0.111 A 621 GLY N N 15 105.883 0.03 A 622 ALA H H 1 7.486 0.002 A 622 ALA HA H 1 4.416 0.007 A 622 ALA HB% H 1 1.557 0.002 A 622 ALA C C 13 176.82 0 A 622 ALA CA C 13 51.851 0.003 A 622 ALA CB C 13 19.804 0.056 A 622 ALA N N 15 123.803 0.03 A 623 ALA H H 1 8.397 0.004 A 623 ALA HA H 1 4.59 0.006 A 623 ALA HB% H 1 1.718 0.005 A 623 ALA C C 13 178.77 0 A 623 ALA CA C 13 52.627 0.082 A 623 ALA CB C 13 20.087 0.079 A 623 ALA N N 15 123.284 0.031 A 624 GLY H H 1 8.438 0.002 A 624 GLY HA2 H 1 4.115 0.009 A 624 GLY HA3 H 1 3.931 0.008 A 624 GLY C C 13 173.156 0 A 624 GLY CA C 13 44.857 0.024 A 624 GLY N N 15 108.97 0.038 A 625 THR H H 1 7.833 0.001 A 625 THR HA H 1 4.603 0.003 A 625 THR HB H 1 3.903 0.001 A 625 THR HG2% H 1 1.138 0.002 A 625 THR C C 13 172.765 0 A 625 THR CA C 13 60.35 0.089 A 625 THR CB C 13 72.295 0.058 A 625 THR CG2 C 13 21.857 0.036 A 625 THR N N 15 108.929 0.045 A 626 ILE H H 1 8.594 0.004 A 626 ILE HA H 1 4.817 0.004 A 626 ILE HB H 1 1.666 0.006 A 626 ILE HD1% H 1 0.527 0.002 A 626 ILE HG1y H 1 0.977 0.012 A 626 ILE HG2% H 1 0.982 0.013 A 626 ILE C C 13 175.596 0 A 626 ILE CA C 13 61.049 0.059 A 626 ILE CB C 13 41.178 0.019 A 626 ILE CD1 C 13 14.351 0.01 A 626 ILE CG1 C 13 29.39 0 A 626 ILE CG2 C 13 18.604 0.016 A 626 ILE N N 15 123.623 0.057 A 627 ARG H H 1 8.979 0.001 A 627 ARG HA H 1 4.935 0.004 A 627 ARG HB2 H 1 1.804 0.001 A 627 ARG HB3 H 1 1.687 0.005 A 627 ARG HDy H 1 3.159 0.002 A 627 ARG HE H 1 6.573 0 A 627 ARG HG2 H 1 1.679 0.011 A 627 ARG HG3 H 1 1.604 0.007 A 627 ARG C C 13 175.183 0 A 627 ARG CA C 13 53.768 0.027 A 627 ARG CB C 13 33.776 0.005 A 627 ARG CD C 13 43.329 0.008 A 627 ARG CG C 13 27.147 0 A 627 ARG N N 15 127.431 0.035 A 627 ARG NE N 15 118.196 0 A 628 THR H H 1 8.697 0.006 A 628 THR HA H 1 4.41 0.002 A 628 THR HB H 1 4.216 0.002 A 628 THR HG2% H 1 1.363 0.001 A 628 THR C C 13 174.845 0 A 628 THR CA C 13 63.962 0.079 A 628 THR CB C 13 69.488 0.068 A 628 THR CG2 C 13 21.833 0.015 A 628 THR N N 15 118.452 0.029 A 629 GLY H H 1 8.626 0.002 A 629 GLY HA2 H 1 4.363 0.003 A 629 GLY HA3 H 1 3.582 0.001 A 629 GLY C C 13 171.903 0 A 629 GLY CA C 13 43.747 0.05 A 629 GLY N N 15 114.137 0.027 A 630 ALA H H 1 7.98 0.004 A 630 ALA HA H 1 3.692 0.006 A 630 ALA HB% H 1 0.904 0.002 A 630 ALA CA C 13 49.428 0.026 A 630 ALA CB C 13 18.071 0.051 A 630 ALA N N 15 120.627 0.038 A 631 PRO HA H 1 4.125 0.002 A 631 PRO HB2 H 1 1.685 0.007 A 631 PRO HB3 H 1 1.192 0.008 A 631 PRO HD2 H 1 2.522 0.002 A 631 PRO HD3 H 1 1.699 0.008 A 631 PRO HG2 H 1 0.637 0.002 A 631 PRO HG3 H 1 0.467 0.005 A 631 PRO C C 13 175.721 0 A 631 PRO CA C 13 62.94 0.02 A 631 PRO CB C 13 31.745 0.015 A 631 PRO CD C 13 48.236 0.02 A 631 PRO CG C 13 26.567 0.014 A 632 SER H H 1 7.969 0.006 A 632 SER HA H 1 4.295 0.003 A 632 SER HB2 H 1 3.779 0.003 A 632 SER HB3 H 1 3.706 0.002 A 632 SER C C 13 173.816 0 A 632 SER CA C 13 57.689 0.068 A 632 SER CB C 13 64.133 0.038 A 632 SER N N 15 113.689 0.032 A 633 GLY H H 1 7.761 0.006 A 633 GLY HA2 H 1 3.728 0.007 A 633 GLY HA3 H 1 3.696 0.011 A 633 GLY CA C 13 46.119 0.035 A 633 GLY N N 15 116.435 0.022 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 536 VAL N A 579 VAL O 1.0 . 3.0 2 2 A 538 VAL H A 577 ILE O 1.0 . 2.0 3 3 A 577 ILE O A 538 VAL N 1.0 . 3.0 4 4 A 539 TYR H A 613 SER O 1.0 . 2.0 5 5 A 613 SER O A 539 TYR N 1.0 . 3.0 6 6 A 540 TYR H A 575 ALA O 1.0 . 2.0 7 7 A 575 ALA O A 540 TYR N 1.0 . 3.0 8 8 A 549 ILE H A 564 VAL O 1.0 . 2.0 9 9 A 564 VAL O A 549 ILE N 1.0 . 3.0 10 10 A 550 HIS H A 590 ALA O 1.0 . 2.0 11 11 A 590 ALA O A 550 HIS N 1.0 . 3.0 12 12 A 552 ARG H A 588 GLU O 1.0 . 2.0 13 13 A 588 GLU O A 552 ARG N 1.0 . 3.0 14 14 A 554 ALA H A 586 GLN O 1.0 . 2.0 15 15 A 586 GLN O A 554 ALA N 1.0 . 3.0 16 16 A 564 VAL H A 549 ILE O 1.0 . 2.0 17 17 A 549 ILE O A 564 VAL N 1.0 . 3.0 18 18 A 569 ALA H A 574 TYR O 1.0 . 2.0 19 19 A 574 TYR O A 569 ALA N 1.0 . 3.0 20 20 A 575 ALA H A 540 TYR O 1.0 . 2.0 21 21 A 540 TYR O A 575 ALA N 1.0 . 3.0 22 22 A 577 ILE H A 538 VAL O 1.0 . 2.0 23 23 A 538 VAL O A 577 ILE N 1.0 . 3.0 24 24 A 579 VAL H A 536 VAL O 1.0 . 2.0 25 25 A 536 VAL O A 579 VAL N 1.0 . 3.0 26 26 A 587 LEU H A 608 PHE O 1.0 . 2.0 27 27 A 608 PHE O A 587 LEU N 1.0 . 3.0 28 28 A 588 GLU H A 552 ARG O 1.0 . 2.0 29 29 A 552 ARG O A 588 GLU N 1.0 . 3.0 30 30 A 590 ALA H A 550 HIS O 1.0 . 2.0 31 31 A 550 HIS O A 590 ALA N 1.0 . 3.0 32 32 A 592 ASN H A 548 TYR O 1.0 . 2.0 33 33 A 548 TYR O A 592 ASN N 1.0 . 3.0 34 34 A 599 ASP H A 591 PHE O 1.0 . 2.0 35 35 A 591 PHE O A 599 ASP N 1.0 . 3.0 36 36 A 608 PHE H A 587 LEU O 1.0 . 2.0 37 37 A 587 LEU O A 608 PHE N 1.0 . 3.0 38 38 A 613 SER H A 537 THR O 1.0 . 2.0 39 39 A 537 THR O A 613 SER N 1.0 . 3.0 40 40 A 614 THR H A 627 ARG O 1.0 . 2.0 41 41 A 627 ARG O A 614 THR N 1.0 . 3.0 42 42 A 615 TYR H A 539 TYR O 1.0 . 2.0 43 43 A 539 TYR O A 615 TYR N 1.0 . 3.0 44 44 A 627 ARG H A 614 THR O 1.0 . 2.0 45 45 A 614 THR O A 627 ARG N 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 535 LYS C A 536 VAL N A 536 VAL CA A 536 VAL C 1.0 -315.0 -25.0000 PHI 2 2 A 535 LYS C A 536 VAL N A 536 VAL CA A 536 VAL C 1.0 -175.0 65.0000 PHI 3 3 A 536 VAL N A 536 VAL CA A 536 VAL C A 537 THR N 1.0 105.0 195.0000 PSI 4 4 A 536 VAL C A 537 THR N A 537 THR CA A 537 THR C 1.0 -165.0 -35.0000 PHI 5 5 A 537 THR N A 537 THR CA A 537 THR C A 538 VAL N 1.0 145.0 195.0000 PSI 6 6 A 537 THR C A 538 VAL N A 538 VAL CA A 538 VAL C 1.0 -315.0 -25.0000 PHI 7 7 A 537 THR C A 538 VAL N A 538 VAL CA A 538 VAL C 1.0 -195.0 85.0000 PHI 8 8 A 538 VAL N A 538 VAL CA A 538 VAL C A 539 TYR N 1.0 95.0 185.0000 PSI 9 9 A 538 VAL C A 539 TYR N A 539 TYR CA A 539 TYR C 1.0 -325.0 -25.0000 PHI 10 10 A 538 VAL C A 539 TYR N A 539 TYR CA A 539 TYR C 1.0 -195.0 65.0000 PHI 11 11 A 539 TYR N A 539 TYR CA A 539 TYR C A 540 TYR N 1.0 105.0 205.0000 PSI 12 12 A 539 TYR C A 540 TYR N A 540 TYR CA A 540 TYR C 1.0 -315.0 -25.0000 PHI 13 13 A 539 TYR C A 540 TYR N A 540 TYR CA A 540 TYR C 1.0 -185.0 65.0000 PHI 14 14 A 540 TYR N A 540 TYR CA A 540 TYR C A 541 LYS N 1.0 85.0 205.0000 PSI 15 15 A 541 LYS C A 542 LYS N A 542 LYS CA A 542 LYS C 1.0 25.0 335.0000 PHI 16 16 A 541 LYS C A 542 LYS N A 542 LYS CA A 542 LYS C 1.0 -195.0 95.0000 PHI 17 17 A 547 PRO C A 548 TYR N A 548 TYR CA A 548 TYR C 1.0 -325.0 -25.0000 PHI 18 18 A 547 PRO C A 548 TYR N A 548 TYR CA A 548 TYR C 1.0 -195.0 65.0000 PHI 19 19 A 548 TYR N A 548 TYR CA A 548 TYR C A 549 ILE N 1.0 25.0 205.0000 PSI 20 20 A 548 TYR N A 548 TYR CA A 548 TYR C A 549 ILE N 1.0 -275.0 45.0000 PSI 21 21 A 548 TYR C A 549 ILE N A 549 ILE CA A 549 ILE C 1.0 35.0 325.0000 PHI 22 22 A 548 TYR C A 549 ILE N A 549 ILE CA A 549 ILE C 1.0 -195.0 95.0000 PHI 23 23 A 549 ILE N A 549 ILE CA A 549 ILE C A 550 HIS N 1.0 115.0 205.0000 PSI 24 24 A 549 ILE C A 550 HIS N A 550 HIS CA A 550 HIS C 1.0 -325.0 -25.0000 PHI 25 25 A 549 ILE C A 550 HIS N A 550 HIS CA A 550 HIS C 1.0 -185.0 75.0000 PHI 26 26 A 550 HIS N A 550 HIS CA A 550 HIS C A 551 TYR N 1.0 25.0 205.0000 PSI 27 27 A 550 HIS N A 550 HIS CA A 550 HIS C A 551 TYR N 1.0 -285.0 35.0000 PSI 28 28 A 550 HIS C A 551 TYR N A 551 TYR CA A 551 TYR C 1.0 35.0 325.0000 PHI 29 29 A 550 HIS C A 551 TYR N A 551 TYR CA A 551 TYR C 1.0 -205.0 75.0000 PHI 30 30 A 551 TYR N A 551 TYR CA A 551 TYR C A 552 ARG N 1.0 145.0 205.0000 PSI 31 31 A 551 TYR C A 552 ARG N A 552 ARG CA A 552 ARG C 1.0 25.0 335.0000 PHI 32 32 A 551 TYR C A 552 ARG N A 552 ARG CA A 552 ARG C 1.0 -215.0 95.0000 PHI 33 33 A 552 ARG N A 552 ARG CA A 552 ARG C A 553 PRO N 1.0 -305.0 -45.0000 PSI 34 34 A 552 ARG N A 552 ARG CA A 552 ARG C A 553 PRO N 1.0 -55.0 185.0000 PSI 35 35 A 553 PRO C A 554 ALA N A 554 ALA CA A 554 ALA C 1.0 25.0 295.0000 PHI 36 36 A 553 PRO C A 554 ALA N A 554 ALA CA A 554 ALA C 1.0 -205.0 95.0000 PHI 37 37 A 554 ALA N A 554 ALA CA A 554 ALA C A 555 GLY N 1.0 55.0 135.0000 PSI 38 38 A 559 THR C A 560 ALA N A 560 ALA CA A 560 ALA C 1.0 25.0 335.0000 PHI 39 39 A 559 THR C A 560 ALA N A 560 ALA CA A 560 ALA C 1.0 -205.0 95.0000 PHI 40 40 A 560 ALA N A 560 ALA CA A 560 ALA C A 561 ALA N 1.0 25.0 205.0000 PSI 41 41 A 573 GLY C A 574 TYR N A 574 TYR CA A 574 TYR C 1.0 25.0 335.0000 PHI 42 42 A 573 GLY C A 574 TYR N A 574 TYR CA A 574 TYR C 1.0 -205.0 85.0000 PHI 43 43 A 574 TYR N A 574 TYR CA A 574 TYR C A 575 ALA N 1.0 25.0 215.0000 PSI 44 44 A 574 TYR C A 575 ALA N A 575 ALA CA A 575 ALA C 1.0 -325.0 -25.0000 PHI 45 45 A 574 TYR C A 575 ALA N A 575 ALA CA A 575 ALA C 1.0 -205.0 95.0000 PHI 46 46 A 575 ALA N A 575 ALA CA A 575 ALA C A 576 LYS N 1.0 85.0 205.0000 PSI 47 47 A 576 LYS C A 577 ILE N A 577 ILE CA A 577 ILE C 1.0 -95.0 -55.0000 PHI 48 48 A 577 ILE N A 577 ILE CA A 577 ILE C A 578 THR N 1.0 165.0 195.0000 PSI 49 49 A 577 ILE C A 578 THR N A 578 THR CA A 578 THR C 1.0 -175.0 -145.0000 PHI 50 50 A 578 THR N A 578 THR CA A 578 THR C A 579 VAL N 1.0 105.0 125.0000 PSI 51 51 A 578 THR C A 579 VAL N A 579 VAL CA A 579 VAL C 1.0 25.0 315.0000 PHI 52 52 A 578 THR C A 579 VAL N A 579 VAL CA A 579 VAL C 1.0 -175.0 65.0000 PHI 53 53 A 579 VAL N A 579 VAL CA A 579 VAL C A 580 ASP N 1.0 65.0 145.0000 PSI 54 54 A 579 VAL C A 580 ASP N A 580 ASP CA A 580 ASP C 1.0 -155.0 -35.0000 PHI 55 55 A 580 ASP N A 580 ASP CA A 580 ASP C A 581 ILE N 1.0 145.0 185.0000 PSI 56 56 A 580 ASP C A 581 ILE N A 581 ILE CA A 581 ILE C 1.0 35.0 325.0000 PHI 57 57 A 580 ASP C A 581 ILE N A 581 ILE CA A 581 ILE C 1.0 -185.0 85.0000 PHI 58 58 A 581 ILE N A 581 ILE CA A 581 ILE C A 582 GLY N 1.0 -35.0 75.0000 PSI 59 59 A 587 LEU C A 588 GLU N A 588 GLU CA A 588 GLU C 1.0 -175.0 -35.0000 PHI 60 60 A 588 GLU N A 588 GLU CA A 588 GLU C A 589 ALA N 1.0 135.0 185.0000 PSI 61 61 A 588 GLU C A 589 ALA N A 589 ALA CA A 589 ALA C 1.0 -315.0 -25.0000 PHI 62 62 A 588 GLU C A 589 ALA N A 589 ALA CA A 589 ALA C 1.0 -205.0 95.0000 PHI 63 63 A 589 ALA N A 589 ALA CA A 589 ALA C A 590 ALA N 1.0 95.0 195.0000 PSI 64 64 A 589 ALA C A 590 ALA N A 590 ALA CA A 590 ALA C 1.0 25.0 335.0000 PHI 65 65 A 589 ALA C A 590 ALA N A 590 ALA CA A 590 ALA C 1.0 -205.0 95.0000 PHI 66 66 A 590 ALA N A 590 ALA CA A 590 ALA C A 591 PHE N 1.0 25.0 215.0000 PSI 67 67 A 590 ALA C A 591 PHE N A 591 PHE CA A 591 PHE C 1.0 25.0 335.0000 PHI 68 68 A 590 ALA C A 591 PHE N A 591 PHE CA A 591 PHE C 1.0 -205.0 85.0000 PHI 69 69 A 591 PHE N A 591 PHE CA A 591 PHE C A 592 ASN N 1.0 25.0 205.0000 PSI 70 70 A 591 PHE N A 591 PHE CA A 591 PHE C A 592 ASN N 1.0 -175.0 175.0000 PSI 71 71 A 591 PHE C A 592 ASN N A 592 ASN CA A 592 ASN C 1.0 25.0 335.0000 PHI 72 72 A 591 PHE C A 592 ASN N A 592 ASN CA A 592 ASN C 1.0 -215.0 95.0000 PHI 73 73 A 592 ASN N A 592 ASN CA A 592 ASN C A 593 ASP N 1.0 -15.0 215.0000 PSI 74 74 A 597 ASN C A 598 TRP N A 598 TRP CA A 598 TRP C 1.0 35.0 325.0000 PHI 75 75 A 597 ASN C A 598 TRP N A 598 TRP CA A 598 TRP C 1.0 -205.0 95.0000 PHI 76 76 A 598 TRP N A 598 TRP CA A 598 TRP C A 599 ASP N 1.0 15.0 225.0000 PSI 77 77 A 598 TRP C A 599 ASP N A 599 ASP CA A 599 ASP C 1.0 25.0 335.0000 PHI 78 78 A 598 TRP C A 599 ASP N A 599 ASP CA A 599 ASP C 1.0 -195.0 75.0000 PHI 79 79 A 599 ASP N A 599 ASP CA A 599 ASP C A 600 SER N 1.0 -105.0 215.0000 PSI 80 80 A 599 ASP C A 600 SER N A 600 SER CA A 600 SER C 1.0 25.0 335.0000 PHI 81 81 A 599 ASP C A 600 SER N A 600 SER CA A 600 SER C 1.0 -215.0 95.0000 PHI 82 82 A 600 SER N A 600 SER CA A 600 SER C A 601 ASN N 1.0 -115.0 125.0000 PSI 83 83 A 606 TYR C A 607 LEU N A 607 LEU CA A 607 LEU C 1.0 -105.0 -35.0000 PHI 84 84 A 607 LEU N A 607 LEU CA A 607 LEU C A 608 PHE N 1.0 135.0 185.0000 PSI 85 85 A 611 GLY C A 612 THR N A 612 THR CA A 612 THR C 1.0 45.0 255.0000 PHI 86 86 A 611 GLY C A 612 THR N A 612 THR CA A 612 THR C 1.0 -195.0 85.0000 PHI 87 87 A 612 THR N A 612 THR CA A 612 THR C A 613 SER N 1.0 85.0 145.0000 PSI 88 88 A 613 SER C A 614 THR N A 614 THR CA A 614 THR C 1.0 -325.0 -25.0000 PHI 89 89 A 613 SER C A 614 THR N A 614 THR CA A 614 THR C 1.0 -195.0 85.0000 PHI 90 90 A 614 THR N A 614 THR CA A 614 THR C A 615 TYR N 1.0 25.0 205.0000 PSI 91 91 A 614 THR N A 614 THR CA A 614 THR C A 615 TYR N 1.0 -285.0 35.0000 PSI 92 92 A 614 THR C A 615 TYR N A 615 TYR CA A 615 TYR C 1.0 -315.0 -25.0000 PHI 93 93 A 614 THR C A 615 TYR N A 615 TYR CA A 615 TYR C 1.0 -185.0 65.0000 PHI 94 94 A 614 THR C A 615 TYR N A 615 TYR CA A 615 TYR C 1.0 -65.0 185.0000 PHI 95 95 A 615 TYR N A 615 TYR CA A 615 TYR C A 616 THR N 1.0 115.0 185.0000 PSI 96 96 A 627 ARG C A 628 THR N A 628 THR CA A 628 THR C 1.0 -165.0 -35.0000 PHI 97 97 A 628 THR N A 628 THR CA A 628 THR C A 629 GLY N 1.0 155.0 185.0536 PSI stop_ save_